A0A077Z7E4_TRITR Loading...

Serine/threonine-protein kinase PRP4 homolog

AlphaFold DB , UniProt , Accession A0A077Z7E4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	38.4	Very low	244 Å²	244	172.1 Å²	172.1	100%	1.202	79%	0.787	S	S	*	*				0	173.2	0	-68.2	172.6	179.2	0	0	108.3
2	H	39.6	Very low	37.9	Very low	167 Å²	167	177.3 Å²	177.3	77%	0.773	80%	0.795	S	S	*	*			trans	-50.4	158	-171.2	-50.1	-68.8	0	0	0	115
3	F	43.3	Very low	38.3	Very low	195 Å²	195	175.6 Å²	175.6	86%	0.855	79%	0.79	S	S	*	*			cis	-133.9	159.2	20.3	-111.3	-78.6	0	0	0	115.1
4	S	38.4	Very low	38.4	Very low	88 Å²	88	175.4 Å²	175.4	62%	0.615	79%	0.79	S	S	*	*			trans	-102.2	-178.5	169.2	63	0	0	0	0	109.2
5	E	40.3	Very low	38.3	Very low	128 Å²	128	169.4 Å²	169.4	60%	0.598	78%	0.778	S	S	*	*			cis	-173.1	178.1	6.4	-142.6	-179.4	146.3	0	0	109.8
6	R	37.2	Very low	38.5	Very low	197 Å²	197	170.1 Å²	170.1	74%	0.743	78%	0.781	S	S	*	*			trans	68	161.1	150.9	-69.8	162.8	-147.6	-127.7	-4.9	119.4
7	R	36.5	Very low	38.7	Very low	213 Å²	213	169.4 Å²	169.4	80%	0.804	78%	0.778	S	S	*	*			cis	-177.5	149.4	-41.8	-127.4	-174.6	175.6	178.1	-0.2	109.6
8	L	38.5	Very low	39	Very low	132 Å²	132	169.8 Å²	169.8	69%	0.691	78%	0.78	S	S	*	*			trans	65.9	167.2	157.3	-56.1	163.3	0	0	0	115.4
9	E	38.8	Very low	38.9	Very low	158 Å²	158	170.9 Å²	170.9	74%	0.738	78%	0.783	S	S	*	*			cis	-149.3	167	1.3	-147.9	147.4	-128.3	0	0	113.3
10	N	33.6	Very low	39	Very low	153 Å²	153	169.2 Å²	169.2	82%	0.818	79%	0.786	S	S	*	*			trans	-78.1	147.1	171.2	-89.8	-54.2	0	0	0	112.7
11	R	38	Very low	38.9	Very low	218 Å²	218	170.4 Å²	170.4	82%	0.823	79%	0.789	S	S	*	*			trans	-159.3	147.7	149.2	-112.3	163.7	-154.3	-144.5	4.2	114.1
12	R	32.7	Very low	38.9	Very low	234 Å²	234	170.8 Å²	170.8	88%	0.883	78%	0.777	S	S	*	*			trans	-117.7	133.4	172.9	-73.6	178.7	172.4	174.6	-3.6	110.1
13	H	43.7	Very low	38.7	Very low	156 Å²	156	168 Å²	168	72%	0.722	78%	0.776	S	S	*	*			trans	-148.1	161.9	168.7	-71.3	-65.2	0	0	0	109
14	H	39.2	Very low	38.5	Very low	172 Å²	172	168.5 Å²	168.5	80%	0.796	77%	0.772	S	S	*	*			cis	-161.5	169.4	-48.5	-127.2	63.2	0	0	0	107.1
15	S	36.9	Very low	38.6	Very low	86 Å²	86	170.6 Å²	170.6	60%	0.601	77%	0.772	S	S	*	*			trans	-80.6	156.6	-164	58	0	0	0	0	118.2
16	H	41.5	Very low	38.5	Very low	180 Å²	180	173.1 Å²	173.1	83%	0.833	78%	0.776	S	S	*	*			trans	-140.5	121.6	138.6	-81.6	-77.7	0	0	0	108.4
17	H	42.6	Very low	38.5	Very low	159 Å²	159	170.3 Å²	170.3	74%	0.736	77%	0.771	S	S	*	*				65.3	121.1	85.6	-83.7	-1.4	0	0	0	113.5
18	H	44.1	Very low	38.7	Very low	176 Å²	176	167.3 Å²	167.3	82%	0.815	77%	0.77	S	S	*	*				-145.9	175.7	51.5	-112.1	-92.4	0	0	0	116.4
19	K	36.7	Very low	38.6	Very low	191 Å²	191	171.4 Å²	171.4	83%	0.83	78%	0.776	S	S	*	*			trans	-138.9	143	172	-72	176.4	176.7	171.4	0	111.6
20	T	39.8	Very low	38.5	Very low	136 Å²	136	167.7 Å²	167.7	83%	0.834	77%	0.768	S	S	*	*			trans	-178	130.1	140.3	24.6	0	0	0	0	108.1
21	K	37.9	Very low	38.8	Very low	195 Å²	195	169 Å²	169	85%	0.848	77%	0.769	S	S	*	*				71.4	101.4	51.3	-81.2	-166.8	173.4	-177.2	0	115.7
22	R	38	Very low	38.8	Very low	253 Å²	253	164.3 Å²	164.3	96%	0.955	76%	0.76	S	S	*	*				-178	165.4	105.6	-102.9	172.8	170.1	163.6	-3.4	113.5
23	S	34.5	Very low	39.1	Very low	108 Å²	108	161.2 Å²	161.2	76%	0.755	76%	0.756	S	S	*	*			trans	-143.8	147.9	174.5	153.4	0	0	0	0	108.2
24	R	39.6	Very low	38.7	Very low	206 Å²	206	157.7 Å²	157.7	78%	0.777	76%	0.762	S	S	*	*			trans	169.8	140.5	142.6	-101.8	173	165.8	173	-1.9	114.9
25	H	40.2	Very low	38.6	Very low	132 Å²	132	153.8 Å²	153.8	61%	0.611	77%	0.768	S	S	*	*			trans	68.9	151.6	136.3	-71	-18	0	0	0	120.4
26	R	37.7	Very low	38.6	Very low	180 Å²	180	153.8 Å²	153.8	68%	0.679	77%	0.774	S	S	*	*			cis	-169.8	150.9	-19.5	-132.2	173	157.1	164.9	-10.9	111.6
27	H	38.2	Very low	38.6	Very low	138 Å²	138	152.7 Å²	152.7	64%	0.639	77%	0.774	S	S	*	*			trans	73.5	149.3	139.1	-84.8	-29.2	0	0	0	124.7
28	L	40.1	Very low	38.3	Very low	151 Å²	151	152.5 Å²	152.5	79%	0.791	78%	0.778	S	S	*	*			trans	73.5	157.3	159	-61.9	147.5	0	0	0	117.2
29	R	36.3	Very low	38.1	Very low	217 Å²	217	149.8 Å²	149.8	82%	0.819	78%	0.779	S	S	*	*			cis	175.9	140.5	-26.8	177.2	178.6	-171.8	176.4	4.4	107.1
30	S	37.4	Very low	38.5	Very low	81 Å²	81	150.4 Å²	150.4	57%	0.566	78%	0.782	S	S	*	*			cis	-170.7	-170.9	-20.2	55.7	0	0	0	0	107.8
31	Q	40.4	Very low	38.6	Very low	179 Å²	179	148.5 Å²	148.5	84%	0.836	77%	0.772	S	S	*	*			trans	72.1	145.4	169.2	-72.1	172.2	-13.3	0	0	116.4
32	N	36.8	Very low	39	Very low	120 Å²	120	148.1 Å²	148.1	64%	0.642	77%	0.773	S	S	*	*			cis	-159.5	164.7	-21.3	-159.6	17.8	0	0	0	111.5
33	E	39.5	Very low	39.2	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	75%	0.753	S	S	*	*			trans	53.9	130.4	153.9	-84.5	154.7	-149.3	0	0	122.6
34	G	36.1	Very low	39.8	Very low	82 Å²	82	140 Å²	140	85%	0.845	75%	0.749	S	S	*	*			trans	136.6	104.7	142.4	0	0	0	0	0	118.5
35	G	35.8	Very low	40.1	Very low	89 Å²	89	132.9 Å²	132.9	92%	0.918	73%	0.734	S	S	*	*			trans	96.5	120.8	155	0	0	0	0	0	117.2
36	A	37.9	Very low	40.4	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	73%	0.728	S	S	*	*			trans	-104.8	150	177.8	0	0	0	0	0	112.6
37	N	40.1	Very low	40.9	Very low	157 Å²	157	125.4 Å²	125.4	84%	0.84	72%	0.718	S	S	*	*				-176.2	168.3	114.7	-91.8	-5.3	0	0	0	112.7
38	D	37.9	Very low	41.3	Very low	155 Å²	155	121 Å²	121	83%	0.829	71%	0.705	S	S	*	*			trans	-63.4	146.5	-163.3	-67.5	-75.4	0	0	0	117.9
39	S	39.6	Very low	41.6	Very low	119 Å²	119	120.6 Å²	120.6	83%	0.832	70%	0.699	S	S	*	*			trans	-172.2	139.7	134.2	33.7	0	0	0	0	112.5
40	K	43.8	Very low	42	Very low	204 Å²	204	116.3 Å²	116.3	89%	0.887	69%	0.687	S	S	*	*			trans	-168.1	158.9	171.6	-116.3	-170.5	178.8	-178.2	0	109.8
41	P	43.7	Very low	42.3	Very low	96 Å²	96	117.9 Å²	117.9	62%	0.623	69%	0.688	S	S	*	*			cis	-123.1	136.7	-16.1	36	-20.7	0	0	0	112.9	A43	P41-A43 PolarHBondContact O-N 3.09Å; P41-A43 VanDerWaalsContact O-N 3.08Å
42	Q	44.8	Very low	42.5	Very low	186 Å²	186	113.1 Å²	113.1	87%	0.869	67%	0.668	S	S	*	*			trans	-87.3	39.9	-178	-162.3	163	-16.9	0	0	113.2
43	A	43.8	Very low	42.9	Very low	66 Å²	66	109.3 Å²	109.3	55%	0.545	65%	0.654	S	S	.	*			trans	-91.1	-29.9	-164.4	0	0	0	0	0	115.3	P41	P41-A43 PolarHBondContact O-N 3.09Å; P41-A43 VanDerWaalsContact O-N 3.08Å
44	D	45.2	Very low	43.1	Very low	124 Å²	124	104 Å²	104	66%	0.663	64%	0.635	S	S	*	*	S	Bend	trans	-82.8	-27.1	-170.8	-57.4	-58.4	0	0	0	113.4	D46 S47 A48	D44-D46 VanDerWaalsContact C-N 3.34Å; D44-D46 PolarHBondContact O-N 2.97Å; D44-S47 WeakPolarHBondContact O-CB 3.27Å; D44-S47 PolarHBondContact O-N 3.46Å; D44-S47 VanDerWaalsContact O-N 3.08Å; D44-S47 PolarHBondContact O-OG 2.73Å; D44-A48 PolarHBondContact O-N 3.46Å
45	A	46.1	Very low	43.9	Very low	57 Å²	57	106.1 Å²	106.1	47%	0.471	62%	0.621	S	S	.	*	H	α-helix	trans	-58.9	-43.5	-178.7	0	0	0	0	0	112.5	S47 A48 E49	A45-S47 PolarHBondContact O-N 3.04Å; A45-S47 VanDerWaalsContact O-N 3.09Å; A45-A48 PolarHBondContact O-N 2.93Å; A45-A48 VanDerWaalsContact O-N 3.08Å; A45-E49 PolarHBondContact O-N 3.47Å
46	D	47.6	Very low	44.8	Very low	91 Å²	91	109.4 Å²	109.4	49%	0.487	61%	0.606	S	S	.	*	H	α-helix	trans	-56.6	-23.1	176.4	-111.8	65.3	0	0	0	114.1	D44 K50	D44-D46 VanDerWaalsContact C-N 3.34Å; D44-D46 PolarHBondContact O-N 2.97Å; D46-K50 VanDerWaalsContact O-CD 3.29Å; D46-K50 WeakPolarHBondContact O-CD 3.06Å; D46-K50 VanDerWaalsContact O-CG 3.27Å; D46-K50 WeakPolarHBondContact O-CG 3.47Å; D46-K50 PolarHBondContact O-NZ 3.48Å; D46-K50 VanDerWaalsContact O-NZ 3.09Å; D46-K50 IonicContact OD2-NZ 2.73Å; D46-K50 PolarHBondContact OD2-NZ 2.81Å
47	S	47.6	Very low	45.4	Very low	65 Å²	65	110.4 Å²	110.4	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-86.3	-40.8	177	78.1	0	0	0	0	111.5	D44 A45 K50 L51	D44-S47 WeakPolarHBondContact O-CB 3.27Å; D44-S47 PolarHBondContact O-N 3.46Å; D44-S47 VanDerWaalsContact O-N 3.08Å; D44-S47 PolarHBondContact O-OG 2.73Å; A45-S47 PolarHBondContact O-N 3.04Å; A45-S47 VanDerWaalsContact O-N 3.09Å; S47-K50 PolarHBondContact O-N 3.22Å; S47-L51 WeakPolarHBondContact O-CG 3.29Å; S47-L51 PolarHBondContact O-N 3.2Å; S47-L51 VanDerWaalsContact O-N 3.07Å
48	A	46.3	Very low	46.4	Very low	46 Å²	46	108.9 Å²	108.9	38%	0.38	59%	0.587	S	S	.	*	H	α-helix	trans	-67.9	-39.6	176.8	0	0	0	0	0	111.7	D44 A45 L51 N52	D44-A48 PolarHBondContact O-N 3.46Å; A45-A48 PolarHBondContact O-N 2.93Å; A45-A48 VanDerWaalsContact O-N 3.08Å; A48-L51 PolarHBondContact O-N 3.37Å; A48-N52 WeakPolarHBondContact O-CB 3.46Å; A48-N52 VanDerWaalsContact O-CG 3.31Å; A48-N52 PolarHBondContact O-N 3.39Å; A48-N52 PolarHBondContact O-ND2 2.93Å
49	E	48	Very low	47.4	Very low	142 Å²	142	104.5 Å²	104.5	66%	0.664	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-41.8	174.4	-76.3	-156.5	132.5	0	0	112.3	A45 L51 N52 A53	A45-E49 PolarHBondContact O-N 3.47Å; E49-L51 PolarHBondContact O-N 3.01Å; E49-N52 PolarHBondContact O-N 3.41Å; E49-A53 WeakPolarHBondContact O-CB 3.43Å; E49-A53 PolarHBondContact O-N 3.19Å
50	K	42.9	Very low	48.6	Very low	127 Å²	127	105.4 Å²	105.4	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-66.4	-37.8	177.7	-72	173	-167.4	116.1	0	112.4	D46 S47 A53 S54	D46-K50 VanDerWaalsContact O-CD 3.29Å; D46-K50 WeakPolarHBondContact O-CD 3.06Å; D46-K50 VanDerWaalsContact O-CG 3.27Å; D46-K50 WeakPolarHBondContact O-CG 3.47Å; D46-K50 PolarHBondContact O-NZ 3.48Å; D46-K50 VanDerWaalsContact O-NZ 3.09Å; D46-K50 IonicContact OD2-NZ 2.73Å; D46-K50 PolarHBondContact OD2-NZ 2.81Å; S47-K50 PolarHBondContact O-N 3.22Å; K50-A53 PolarHBondContact O-N 3.5Å; K50-S54 WeakPolarHBondContact O-CB 3.34Å; K50-S54 PolarHBondContact O-N 3.01Å
51	L	43.6	Very low	50	Low	114 Å²	114	100.4 Å²	100.4	60%	0.597	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-39.3	172.6	-73.1	168.3	0	0	0	112.2	S47 A48 E49 K55	S47-L51 WeakPolarHBondContact O-CG 3.29Å; S47-L51 PolarHBondContact O-N 3.2Å; S47-L51 VanDerWaalsContact O-N 3.07Å; A48-L51 PolarHBondContact O-N 3.37Å; E49-L51 PolarHBondContact O-N 3.01Å; L51-K55 WeakPolarHBondContact O-CG 3.4Å; L51-K55 PolarHBondContact O-N 3.5Å; L51-K55 VanDerWaalsContact O-N 3.13Å
52	N	45.7	Very low	51.2	Low	78 Å²	78	98.2 Å²	98.2	42%	0.417	52%	0.517	S	S	.	.	H	α-helix	trans	-72.2	-32.9	176.3	-74.9	-27.2	0	0	0	112.8	A48 E49 R56	A48-N52 WeakPolarHBondContact O-CB 3.46Å; A48-N52 VanDerWaalsContact O-CG 3.31Å; A48-N52 PolarHBondContact O-N 3.39Å; A48-N52 PolarHBondContact O-ND2 2.93Å; E49-N52 PolarHBondContact O-N 3.41Å; N52-R56 VanDerWaalsContact O-CG 3.25Å; N52-R56 WeakPolarHBondContact O-CG 3.45Å; N52-R56 PolarHBondContact O-N 2.88Å; N52-R56 VanDerWaalsContact O-N 3.1Å
53	A	44.8	Very low	52.5	Low	41 Å²	41	90.8 Å²	90.8	34%	0.339	48%	0.483	S	S	.	.	H	α-helix	trans	-64.8	-52.9	172	0	0	0	0	0	110.6	E49 K50 K55 R56 D57	E49-A53 WeakPolarHBondContact O-CB 3.43Å; E49-A53 PolarHBondContact O-N 3.19Å; K50-A53 PolarHBondContact O-N 3.5Å; A53-K55 PolarHBondContact O-N 2.78Å; A53-R56 WeakPolarHBondContact O-CA 3.39Å; A53-R56 WeakPolarHBondContact O-CB 3.25Å; A53-R56 PolarHBondContact O-N 3.1Å; A53-D57 VanDerWaalsContact O-CG 3.31Å; A53-D57 PolarHBondContact O-N 3.43Å
54	S	43	Very low	54	Low	58 Å²	58	90.4 Å²	90.4	41%	0.406	48%	0.48	S	S	.	.	H	α-helix	trans	-54.9	-39.7	177.5	-163.8	0	0	0	0	112.6	K50 E58	K50-S54 WeakPolarHBondContact O-CB 3.34Å; K50-S54 PolarHBondContact O-N 3.01Å; S54-E58 WeakPolarHBondContact O-CB 3.27Å; S54-E58 WeakPolarHBondContact O-CG 3.46Å; S54-E58 PolarHBondContact O-N 3.26Å
55	K	52.9	Low	55.3	Low	127 Å²	127	88 Å²	88	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-67.4	-36	174.8	-76.3	178.9	176.6	-175.7	0	113.6	L51 A53 E59	L51-K55 WeakPolarHBondContact O-CG 3.4Å; L51-K55 PolarHBondContact O-N 3.5Å; L51-K55 VanDerWaalsContact O-N 3.13Å; A53-K55 PolarHBondContact O-N 2.78Å; K55-E59 WeakPolarHBondContact O-CB 3.35Å; K55-E59 PolarHBondContact O-N 2.92Å
56	R	55.8	Low	56.5	Low	157 Å²	157	85.6 Å²	85.6	59%	0.592	45%	0.446	S	S	*	.	H	α-helix	trans	-68.8	-44.7	174.8	-71.9	167.2	-170.8	173.1	4.2	110.8	N52 A53 E58 E59 E60	N52-R56 VanDerWaalsContact O-CG 3.25Å; N52-R56 WeakPolarHBondContact O-CG 3.45Å; N52-R56 PolarHBondContact O-N 2.88Å; N52-R56 VanDerWaalsContact O-N 3.1Å; A53-R56 WeakPolarHBondContact O-CA 3.39Å; A53-R56 WeakPolarHBondContact O-CB 3.25Å; A53-R56 PolarHBondContact O-N 3.1Å; R56-E58 VanDerWaalsContact C-N 3.27Å; R56-E58 PolarHBondContact O-N 3.45Å; R56-E59 PolarHBondContact O-N 3.07Å; R56-E60 WeakPolarHBondContact O-CB 3.36Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 2.92Å
57	D	50.7	Low	57.8	Low	109 Å²	109	84 Å²	84	58%	0.583	44%	0.435	S	S	*	.	H	α-helix	trans	-59.9	-39	176.4	-60.3	-23	0	0	0	111.2	A53 N61	A53-D57 VanDerWaalsContact O-CG 3.31Å; A53-D57 PolarHBondContact O-N 3.43Å; D57-N61 VanDerWaalsContact O-CB 3.27Å; D57-N61 WeakPolarHBondContact O-CB 3.4Å; D57-N61 PolarHBondContact O-N 3.08Å
58	E	59.8	Low	59.1	Low	124 Å²	124	86.9 Å²	86.9	58%	0.579	44%	0.441	S	S	*	.	H	α-helix	trans	-68.3	-46	172.7	-75.6	172.1	-162.1	0	0	112.9	S54 R56 N61 E62	S54-E58 WeakPolarHBondContact O-CB 3.27Å; S54-E58 WeakPolarHBondContact O-CG 3.46Å; S54-E58 PolarHBondContact O-N 3.26Å; R56-E58 VanDerWaalsContact C-N 3.27Å; R56-E58 PolarHBondContact O-N 3.45Å; E58-N61 PolarHBondContact O-N 3.38Å; E58-E62 PolarHBondContact O-N 2.68Å
59	E	60.1	Low	60.3	Low	64 Å²	64	86.7 Å²	86.7	30%	0.299	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177.4	-85.5	-166.2	-119.2	0	0	112.9	K55 R56 N61 E62 D63 K263	K55-E59 WeakPolarHBondContact O-CB 3.35Å; K55-E59 PolarHBondContact O-N 2.92Å; R56-E59 PolarHBondContact O-N 3.07Å; E59-N61 VanDerWaalsContact C-N 3.3Å; E59-N61 PolarHBondContact O-N 3.09Å; E59-E62 PolarHBondContact O-N 3.08Å; E59-D63 WeakPolarHBondContact O-CB 3.27Å; E59-D63 PolarHBondContact O-N 2.88Å; E59-K263 IonicContact OE2-NZ 2.78Å; E59-K263 PolarHBondContact OE2-NZ 2.99Å
60	E	63.8	Low	61.2	Low	137 Å²	137	80.3 Å²	80.3	64%	0.64	40%	0.403	S	S	*	.	H	α-helix	trans	-66.1	-34.9	178.6	-73.5	-176	-159.7	0	0	111.3	R56 D63 A64	R56-E60 WeakPolarHBondContact O-CB 3.36Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 2.92Å; E60-D63 PolarHBondContact O-N 3.37Å; E60-A64 WeakPolarHBondContact O-CB 3.44Å; E60-A64 PolarHBondContact O-N 3.49Å
61	N	73.6	Confident	62.6	Low	99 Å²	99	79.2 Å²	79.2	53%	0.529	40%	0.398	S	S	.	.	H	α-helix	trans	-70	-45.2	173.2	-167.6	15.9	0	0	0	112	D57 E58 E59 D63 A64 I65	D57-N61 VanDerWaalsContact O-CB 3.27Å; D57-N61 WeakPolarHBondContact O-CB 3.4Å; D57-N61 PolarHBondContact O-N 3.08Å; E58-N61 PolarHBondContact O-N 3.38Å; E59-N61 VanDerWaalsContact C-N 3.3Å; E59-N61 PolarHBondContact O-N 3.09Å; N61-D63 VanDerWaalsContact C-N 3.31Å; N61-D63 PolarHBondContact O-N 3.08Å; N61-A64 PolarHBondContact O-N 3.18Å; N61-I65 WeakPolarHBondContact O-CB 3.48Å; N61-I65 WeakPolarHBondContact O-CD1 3.47Å; N61-I65 VanDerWaalsContact O-CG1 3.24Å; N61-I65 WeakPolarHBondContact O-CG1 3.47Å; N61-I65 PolarHBondContact O-N 3.09Å
62	E	68.7	Low	63.8	Low	51 Å²	51	78.4 Å²	78.4	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-56.4	-45.3	170.6	-79.2	-157.7	150.5	0	0	111	E58 E59 I65 I66 R292 R310	E58-E62 PolarHBondContact O-N 2.68Å; E59-E62 PolarHBondContact O-N 3.08Å; E62-I65 PolarHBondContact O-N 3Å; E62-I66 HydrophobicContact CB-CD1 4.45Å; E62-I66 WeakPolarHBondContact O-CD1 3.46Å; E62-I66 WeakPolarHBondContact O-CG1 3.39Å; E62-I66 PolarHBondContact O-N 3.17Å; E62-I66 VanDerWaalsContact O-N 3.08Å; E62-R292 IonicContact OE1-NH2 3.64Å; E62-R310 WeakPolarHBondContact OE2-CB 3.39Å; E62-R310 VanDerWaalsContact OE2-CD 3.32Å; E62-R310 WeakPolarHBondContact OE2-CD 3.38Å; E62-R310 IonicContact OE2-CZ 3.73Å; E62-R310 IonicContact OE2-NE 2.78Å; E62-R310 PolarHBondContact OE2-NE 3.45Å
63	D	73.7	Confident	64.7	Low	30 Å²	30	76.5 Å²	76.5	16%	0.16	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-42.2	-179.4	-89.2	-32.5	0	0	0	113	E59 E60 N61 E67 R241 R264	E59-D63 WeakPolarHBondContact O-CB 3.27Å; E59-D63 PolarHBondContact O-N 2.88Å; E60-D63 PolarHBondContact O-N 3.37Å; N61-D63 VanDerWaalsContact C-N 3.31Å; N61-D63 PolarHBondContact O-N 3.08Å; D63-E67 VanDerWaalsContact O-CB 3.31Å; D63-E67 WeakPolarHBondContact O-CB 3.44Å; D63-E67 PolarHBondContact O-N 3.39Å; D63-R241 VanDerWaalsContact CG-NH1 3.29Å; D63-R241 IonicContact OD1-CZ 3.76Å; D63-R241 VanDerWaalsContact OD1-CZ 3.25Å; D63-R241 IonicContact OD1-NH1 3.44Å; D63-R241 PolarHBondContact OD1-NH1 3.26Å; D63-R241 IonicContact OD1-NH2 2.76Å; D63-R241 PolarHBondContact OD1-NH2 3.4Å; D63-R241 IonicContact OD2-CZ 2.66Å; D63-R241 IonicContact OD2-NH1 3.18Å; D63-R241 PolarHBondContact OD2-NH1 2.98Å; D63-R241 IonicContact OD2-NH2 2.99Å; D63-R264 IonicContact OD1-CZ 3.11Å; D63-R264 IonicContact OD1-NE 3.11Å; D63-R264 PolarHBondContact OD1-NE 2.92Å; D63-R264 IonicContact OD1-NH2 2.68Å; D63-R264 PolarHBondContact OD1-NH2 3.5Å
64	A	74.7	Confident	65.8	Low	58 Å²	58	80 Å²	80	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-45.7	175.3	0	0	0	0	0	112.6	E60 N61 I66 E67 Q68	E60-A64 WeakPolarHBondContact O-CB 3.44Å; E60-A64 PolarHBondContact O-N 3.49Å; N61-A64 PolarHBondContact O-N 3.18Å; A64-I66 PolarHBondContact O-N 2.96Å; A64-E67 PolarHBondContact O-N 3.01Å; A64-Q68 WeakPolarHBondContact O-CB 3.5Å; A64-Q68 PolarHBondContact O-N 3.39Å
65	I	72.7	Confident	66.9	Low	74 Å²	74	82.7 Å²	82.7	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-46.6	179	-71.1	166.2	0	0	0	110.8	N61 E62 Q68 M69	N61-I65 WeakPolarHBondContact O-CB 3.48Å; N61-I65 WeakPolarHBondContact O-CD1 3.47Å; N61-I65 VanDerWaalsContact O-CG1 3.24Å; N61-I65 WeakPolarHBondContact O-CG1 3.47Å; N61-I65 PolarHBondContact O-N 3.09Å; E62-I65 PolarHBondContact O-N 3Å; I65-Q68 WeakPolarHBondContact O-CB 3Å; I65-Q68 PolarHBondContact O-N 2.99Å; I65-M69 HydrophobicContact CG2-CE 3.98Å; I65-M69 WeakPolarHBondContact O-CG 3.4Å; I65-M69 PolarHBondContact O-N 3.3Å
66	I	69.6	Low	67.2	Low	6 Å²	6	79.6 Å²	79.6	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-74.4	-35.7	-175.3	-56.1	155.7	0	0	0	110.9	E62 A64 Q68 M69 R70 R264 Y309 R310	E62-I66 HydrophobicContact CB-CD1 4.45Å; E62-I66 WeakPolarHBondContact O-CD1 3.46Å; E62-I66 WeakPolarHBondContact O-CG1 3.39Å; E62-I66 PolarHBondContact O-N 3.17Å; E62-I66 VanDerWaalsContact O-N 3.08Å; A64-I66 PolarHBondContact O-N 2.96Å; I66-Q68 VanDerWaalsContact C-N 3.3Å; I66-Q68 PolarHBondContact O-N 3.02Å; I66-M69 PolarHBondContact O-N 3.02Å; I66-R70 WeakPolarHBondContact O-CG 3.49Å; I66-R70 PolarHBondContact O-N 3.42Å; I66-R264 VanDerWaalsContact CD1-NH2 3.3Å; I66-Y309 WeakPolarHBondContact CD1-O 3.43Å; I66-Y309 HydrophobicContact CG2-CD1 3.41Å; I66-Y309 VanDerWaalsContact CG2-CD1 3.41Å; I66-Y309 HydrophobicContact CG2-CE1 4.01Å; I66-Y309 HydrophobicContact CG2-CG 3.69Å; I66-R310 HydrophobicContact CD1-CB 4.08Å; I66-R310 HydrophobicContact CD1-CG 4.19Å
67	E	76.5	Confident	67.1	Low	56 Å²	56	74.3 Å²	74.3	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-38.2	171	178.9	69	-175.6	0	0	111.5	D63 A64 R70 K71	D63-E67 VanDerWaalsContact O-CB 3.31Å; D63-E67 WeakPolarHBondContact O-CB 3.44Å; D63-E67 PolarHBondContact O-N 3.39Å; A64-E67 PolarHBondContact O-N 3.01Å; E67-R70 PolarHBondContact O-N 3.19Å; E67-K71 PolarHBondContact O-N 3.46Å; E67-K71 VanDerWaalsContact O-N 3.1Å; E67-K71 WeakPolarHBondContact OE1-CE 3.49Å; E67-K71 IonicContact OE1-NZ 3.04Å; E67-K71 PolarHBondContact OE1-NZ 3.47Å
68	Q	74.4	Confident	67.1	Low	126 Å²	126	75.3 Å²	75.3	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-44.1	173.9	-169.6	-179.3	17.3	0	0	111.9	A64 I65 I66 R70 K71 R72	A64-Q68 WeakPolarHBondContact O-CB 3.5Å; A64-Q68 PolarHBondContact O-N 3.39Å; I65-Q68 WeakPolarHBondContact O-CB 3Å; I65-Q68 PolarHBondContact O-N 2.99Å; I66-Q68 VanDerWaalsContact C-N 3.3Å; I66-Q68 PolarHBondContact O-N 3.02Å; Q68-R70 VanDerWaalsContact C-N 3.34Å; Q68-R70 PolarHBondContact O-N 3.1Å; Q68-K71 PolarHBondContact O-N 3.38Å; Q68-R72 WeakPolarHBondContact O-CB 3.31Å; Q68-R72 PolarHBondContact O-N 2.93Å
69	M	70.4	Confident	67	Low	42 Å²	42	73.9 Å²	73.9	21%	0.207	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-41.4	173.5	-70	-169	-173.3	0	0	112	I65 I66 R73 R307	I65-M69 HydrophobicContact CG2-CE 3.98Å; I65-M69 WeakPolarHBondContact O-CG 3.4Å; I65-M69 PolarHBondContact O-N 3.3Å; I66-M69 PolarHBondContact O-N 3.02Å; M69-R73 WeakPolarHBondContact O-CB 3.37Å; M69-R73 PolarHBondContact O-N 3.26Å; M69-R307 PolarHBondContact SD-NH2 2.66Å
70	R	67.6	Low	66.2	Low	9 Å²	9	74.1 Å²	74.1	3%	0.034	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-44.5	179.1	-75	178.6	-174.7	176.3	2.8	112.5	I66 E67 Q68 R73 Q74 E267 Y309	I66-R70 WeakPolarHBondContact O-CG 3.49Å; I66-R70 PolarHBondContact O-N 3.42Å; E67-R70 PolarHBondContact O-N 3.19Å; Q68-R70 VanDerWaalsContact C-N 3.34Å; Q68-R70 PolarHBondContact O-N 3.1Å; R70-R73 PolarHBondContact O-N 3.08Å; R70-Q74 WeakPolarHBondContact O-CG 3.46Å; R70-Q74 PolarHBondContact O-N 3.36Å; R70-E267 WeakPolarHBondContact CD-OE1 3.49Å; R70-E267 WeakPolarHBondContact CD-OE2 3.33Å; R70-E267 IonicContact CZ-OE1 3.91Å; R70-E267 IonicContact CZ-OE2 2.63Å; R70-E267 VanDerWaalsContact CZ-OE2 3.3Å; R70-E267 IonicContact NE-OE1 2.74Å; R70-E267 PolarHBondContact NE-OE1 2.73Å; R70-E267 IonicContact NE-OE2 3.7Å; R70-E267 IonicContact NH1-OE1 3.46Å; R70-E267 PolarHBondContact NH1-OE1 2.88Å; R70-E267 IonicContact NH1-OE2 3.95Å; R70-E267 PolarHBondContact NH1-OE2 2.57Å; R70-E267 IonicContact NH2-OE1 2.65Å; R70-Y309 HydrophobicContact CG-CE1 4.27Å; R70-Y309 PolarHBondContact NE-OH 2.94Å
71	K	72.3	Confident	64.9	Low	104 Å²	104	72.8 Å²	72.8	45%	0.452	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-50.3	177.2	-74.5	168.8	-179	155	0	112.1	E67 Q68 R73 Q74 E75	E67-K71 PolarHBondContact O-N 3.46Å; E67-K71 VanDerWaalsContact O-N 3.1Å; E67-K71 WeakPolarHBondContact OE1-CE 3.49Å; E67-K71 IonicContact OE1-NZ 3.04Å; E67-K71 PolarHBondContact OE1-NZ 3.47Å; Q68-K71 PolarHBondContact O-N 3.38Å; K71-R73 VanDerWaalsContact C-N 3.28Å; K71-R73 PolarHBondContact O-N 3.17Å; K71-Q74 WeakPolarHBondContact O-CB 3.5Å; K71-Q74 PolarHBondContact O-N 2.68Å; K71-E75 WeakPolarHBondContact O-CG 3.24Å; K71-E75 PolarHBondContact O-N 2.68Å
72	R	69	Low	63.5	Low	97 Å²	97	73.7 Å²	73.7	37%	0.366	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-37.8	178.7	-165	167.8	-178.6	156.2	1	112.5	Q68 L76 P299 D300	Q68-R72 WeakPolarHBondContact O-CB 3.31Å; Q68-R72 PolarHBondContact O-N 2.93Å; R72-L76 HydrophobicContact CG-CD1 4.45Å; R72-L76 PolarHBondContact O-N 2.78Å; R72-L76 VanDerWaalsContact O-N 3.17Å; R72-P299 WeakPolarHBondContact CD-O 3.42Å; R72-D300 IonicContact CZ-OD1 2.66Å; R72-D300 IonicContact NE-OD1 2.73Å; R72-D300 PolarHBondContact NE-OD1 3.25Å; R72-D300 IonicContact NH2-OD1 3.15Å; R72-D300 PolarHBondContact NH2-OD1 2.82Å
73	R	65.4	Low	62.4	Low	37 Å²	37	74.4 Å²	74.4	14%	0.14	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-42.6	171.5	-178.9	-175.9	176.7	176.8	8.2	112.7	M69 R70 K71 L76 L77 D301 E323	M69-R73 WeakPolarHBondContact O-CB 3.37Å; M69-R73 PolarHBondContact O-N 3.26Å; R70-R73 PolarHBondContact O-N 3.08Å; K71-R73 VanDerWaalsContact C-N 3.28Å; K71-R73 PolarHBondContact O-N 3.17Å; R73-L76 PolarHBondContact O-N 3.32Å; R73-L77 HydrophobicContact CG-CD1 4.13Å; R73-L77 HydrophobicContact CG-CG 4.45Å; R73-L77 WeakPolarHBondContact O-CB 3.21Å; R73-L77 VanDerWaalsContact O-CG 3.29Å; R73-L77 WeakPolarHBondContact O-CG 3.41Å; R73-L77 PolarHBondContact O-N 2.98Å; R73-D301 WeakPolarHBondContact CD-OD2 3.43Å; R73-D301 HydrophobicContact CG-CB 4.5Å; R73-D301 WeakPolarHBondContact CG-OD2 3.48Å; R73-D301 IonicContact CZ-OD2 3.99Å; R73-D301 IonicContact NE-OD2 3.77Å; R73-D301 PolarHBondContact NE-OD2 3.17Å; R73-E323 IonicContact CZ-OE2 3.62Å; R73-E323 IonicContact NH1-OE1 3.4Å; R73-E323 IonicContact NH1-OE2 3.62Å; R73-E323 PolarHBondContact NH1-OE2 2.95Å; R73-E323 IonicContact NH2-OE2 2.85Å; R73-E323 PolarHBondContact NH2-OE2 2.98Å
74	Q	67.6	Low	60.9	Low	114 Å²	114	76.2 Å²	76.2	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-42.1	178.1	-73.1	174.9	5.2	0	0	111.8	R70 K71 L77 Q78	R70-Q74 WeakPolarHBondContact O-CG 3.46Å; R70-Q74 PolarHBondContact O-N 3.36Å; K71-Q74 WeakPolarHBondContact O-CB 3.5Å; K71-Q74 PolarHBondContact O-N 2.68Å; Q74-L77 PolarHBondContact O-N 3.11Å; Q74-Q78 WeakPolarHBondContact O-CG 3.43Å; Q74-Q78 PolarHBondContact O-N 3.48Å
75	E	65.9	Low	59.2	Low	115 Å²	115	77.8 Å²	77.8	54%	0.537	38%	0.384	S	S	.	.	H	α-helix	trans	-57.6	-48.4	174	-67.8	161	-172.7	0	0	111.6	K71 Q78 V79	K71-E75 WeakPolarHBondContact O-CG 3.24Å; K71-E75 PolarHBondContact O-N 2.68Å; E75-Q78 WeakPolarHBondContact O-CB 3.32Å; E75-Q78 PolarHBondContact O-N 3.3Å; E75-V79 WeakPolarHBondContact O-CG2 3.45Å; E75-V79 PolarHBondContact O-N 2.78Å
76	L	59.8	Low	57.5	Low	62 Å²	62	75.8 Å²	75.8	33%	0.325	38%	0.382	S	S	.	.	H	α-helix	trans	-71.2	-31.8	-179.2	-74.4	162.4	0	0	0	113.2	R72 R73 S80 D300 R302	R72-L76 HydrophobicContact CG-CD1 4.45Å; R72-L76 PolarHBondContact O-N 2.78Å; R72-L76 VanDerWaalsContact O-N 3.17Å; R73-L76 PolarHBondContact O-N 3.32Å; L76-S80 WeakPolarHBondContact O-CB 3.39Å; L76-S80 PolarHBondContact O-N 2.94Å; L76-D300 HydrophobicContact CD1-CB 3.82Å; L76-D300 WeakPolarHBondContact CD1-O 3.47Å; L76-R302 HydrophobicContact CD1-CG 4.03Å; L76-R302 HydrophobicContact CD2-CG 4.48Å
77	L	52	Low	56.2	Low	47 Å²	47	80.1 Å²	80.1	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-62	-46.1	167.4	-73.9	171.3	0	0	0	110.9	R73 Q74 V79 S80 W81 V384	R73-L77 HydrophobicContact CG-CD1 4.13Å; R73-L77 HydrophobicContact CG-CG 4.45Å; R73-L77 WeakPolarHBondContact O-CB 3.21Å; R73-L77 VanDerWaalsContact O-CG 3.29Å; R73-L77 WeakPolarHBondContact O-CG 3.41Å; R73-L77 PolarHBondContact O-N 2.98Å; Q74-L77 PolarHBondContact O-N 3.11Å; L77-V79 PolarHBondContact O-N 2.68Å; L77-S80 WeakPolarHBondContact O-CB 3.42Å; L77-S80 PolarHBondContact O-N 2.85Å; L77-W81 PolarHBondContact O-N 3.43Å; L77-V384 HydrophobicContact CD2-CG2 3.8Å
78	Q	52	Low	54.3	Low	129 Å²	129	82.9 Å²	82.9	60%	0.603	42%	0.418	S	S	*	.	H	α-helix	trans	-60.2	-45.1	177	-73.9	-179.1	3.6	0	0	112.2	Q74 E75 S80 W81 I82	Q74-Q78 WeakPolarHBondContact O-CG 3.43Å; Q74-Q78 PolarHBondContact O-N 3.48Å; E75-Q78 WeakPolarHBondContact O-CB 3.32Å; E75-Q78 PolarHBondContact O-N 3.3Å; Q78-S80 VanDerWaalsContact C-N 3.31Å; Q78-S80 PolarHBondContact O-N 3.04Å; Q78-W81 PolarHBondContact O-N 3.08Å; Q78-I82 VanDerWaalsContact O-CG1 3.27Å; Q78-I82 WeakPolarHBondContact O-CG1 3.37Å; Q78-I82 PolarHBondContact O-N 2.65Å
79	V	56.6	Low	52.6	Low	95 Å²	95	86 Å²	86	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-60.2	-41	176	173.4	0	0	0	0	111.6	E75 L77 I82 S83	E75-V79 WeakPolarHBondContact O-CG2 3.45Å; E75-V79 PolarHBondContact O-N 2.78Å; L77-V79 PolarHBondContact O-N 2.68Å; V79-I82 PolarHBondContact O-N 3.01Å; V79-S83 WeakPolarHBondContact O-CB 3.36Å; V79-S83 PolarHBondContact O-N 3.41Å
80	S	43.3	Very low	51.2	Low	69 Å²	69	91.1 Å²	91.1	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-45.5	175.3	-170.3	0	0	0	0	112.3	L76 L77 Q78 I82 S83 L84	L76-S80 WeakPolarHBondContact O-CB 3.39Å; L76-S80 PolarHBondContact O-N 2.94Å; L77-S80 WeakPolarHBondContact O-CB 3.42Å; L77-S80 PolarHBondContact O-N 2.85Å; Q78-S80 VanDerWaalsContact C-N 3.31Å; Q78-S80 PolarHBondContact O-N 3.04Å; S80-I82 PolarHBondContact O-N 2.61Å; S80-S83 PolarHBondContact O-N 2.84Å; S80-L84 WeakPolarHBondContact O-CB 3.32Å; S80-L84 PolarHBondContact O-N 3.37Å
81	W	37.5	Very low	50.1	Low	109 Å²	109	95.4 Å²	95.4	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-60.6	-43.3	175.1	-85.2	109.3	0	0	0	112.5	L77 Q78 L84 L85 L383	L77-W81 PolarHBondContact O-N 3.43Å; Q78-W81 PolarHBondContact O-N 3.08Å; W81-L84 PolarHBondContact O-N 2.93Å; W81-L85 WeakPolarHBondContact O-CB 3.48Å; W81-L85 VanDerWaalsContact O-CG 3.32Å; W81-L85 WeakPolarHBondContact O-CG 3.4Å; W81-L85 PolarHBondContact O-N 3.13Å; W81-L383 HydrophobicContact CD2-CD1 4.37Å; W81-L383 HydrophobicContact CE3-CD1 4.03Å; W81-L383 HydrophobicContact CH2-CD1 3.35Å; W81-L383 HydrophobicContact CZ2-CD1 3.7Å; W81-L383 HydrophobicContact CZ3-CD1 3.52Å
82	I	43.5	Very low	48.4	Very low	118 Å²	118	93.9 Å²	93.9	61%	0.605	50%	0.5	S	S	*	.	H	α-helix	trans	-63.6	-43.4	177.6	-69	164.3	0	0	0	110.6	Q78 V79 S80 L84 L85 G86	Q78-I82 VanDerWaalsContact O-CG1 3.27Å; Q78-I82 WeakPolarHBondContact O-CG1 3.37Å; Q78-I82 PolarHBondContact O-N 2.65Å; V79-I82 PolarHBondContact O-N 3.01Å; S80-I82 PolarHBondContact O-N 2.61Å; I82-L84 PolarHBondContact O-N 2.9Å; I82-L85 PolarHBondContact O-N 3.28Å; I82-G86 PolarHBondContact O-N 3.28Å
83	S	45.3	Very low	46.7	Very low	66 Å²	66	94.9 Å²	94.9	46%	0.462	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-42.1	175.5	-174.2	0	0	0	0	112.3	V79 S80 Q87	V79-S83 WeakPolarHBondContact O-CB 3.36Å; V79-S83 PolarHBondContact O-N 3.41Å; S80-S83 PolarHBondContact O-N 2.84Å; S83-Q87 WeakPolarHBondContact O-CG 3.29Å; S83-Q87 PolarHBondContact O-N 3.11Å; S83-Q87 PolarHBondContact O-NE2 3.48Å; S83-Q87 PolarHBondContact OG-NE2 3.11Å
84	L	42.3	Very low	45.2	Very low	67 Å²	67	98.2 Å²	98.2	35%	0.351	56%	0.557	S	S	.	*	H	α-helix	trans	-68.3	-41.8	178.2	-167	71.4	0	0	0	112.2	S80 W81 I82 Q87 L88 L383	S80-L84 WeakPolarHBondContact O-CB 3.32Å; S80-L84 PolarHBondContact O-N 3.37Å; W81-L84 PolarHBondContact O-N 2.93Å; I82-L84 PolarHBondContact O-N 2.9Å; L84-Q87 PolarHBondContact O-N 3.17Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.2Å; L84-L383 HydrophobicContact CD2-CD1 3.85Å; L84-L383 HydrophobicContact CD2-CD2 4.43Å
85	L	40.2	Very low	43.5	Very low	91 Å²	91	97 Å²	97	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-67	-38.1	176.2	-73.5	169.2	0	0	0	112	W81 I82 Q87 L88 Y89	W81-L85 WeakPolarHBondContact O-CB 3.48Å; W81-L85 VanDerWaalsContact O-CG 3.32Å; W81-L85 WeakPolarHBondContact O-CG 3.4Å; W81-L85 PolarHBondContact O-N 3.13Å; I82-L85 PolarHBondContact O-N 3.28Å; L85-Q87 VanDerWaalsContact C-N 3.32Å; L85-Q87 PolarHBondContact O-N 2.89Å; L85-L88 PolarHBondContact O-N 3.18Å; L85-L88 VanDerWaalsContact O-N 3.11Å; L85-Y89 PolarHBondContact O-N 3.36Å
86	G	35.8	Very low	41.8	Very low	33 Å²	33	101 Å²	101	34%	0.34	59%	0.585	S	S	.	*	H	α-helix	trans	-61.4	-37.8	173.7	0	0	0	0	0	113.1	I82 L88 N90	I82-G86 PolarHBondContact O-N 3.28Å; G86-L88 VanDerWaalsContact C-N 3.31Å; G86-L88 PolarHBondContact O-N 3.43Å; G86-N90 WeakPolarHBondContact O-CB 3.45Å; G86-N90 PolarHBondContact O-N 2.91Å
87	Q	42.7	Very low	40.4	Very low	96 Å²	96	101.4 Å²	101.4	45%	0.449	60%	0.604	S	S	.	*	H	α-helix	trans	-67	-30.6	173.6	-70.7	168.8	39.7	0	0	112.7	S83 L84 L85 S91	S83-Q87 WeakPolarHBondContact O-CG 3.29Å; S83-Q87 PolarHBondContact O-N 3.11Å; S83-Q87 PolarHBondContact O-NE2 3.48Å; S83-Q87 PolarHBondContact OG-NE2 3.11Å; L84-Q87 PolarHBondContact O-N 3.17Å; L85-Q87 VanDerWaalsContact C-N 3.32Å; L85-Q87 PolarHBondContact O-N 2.89Å; Q87-S91 PolarHBondContact O-OG 2.87Å
88	L	37.5	Very low	39.4	Very low	115 Å²	115	104.3 Å²	104.3	60%	0.602	63%	0.628	S	S	*	*	H	α-helix	trans	-81.7	-33.4	177.5	-68.5	169.2	0	0	0	113.1	L84 L85 G86 S91	L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.2Å; L85-L88 PolarHBondContact O-N 3.18Å; L85-L88 VanDerWaalsContact O-N 3.11Å; G86-L88 VanDerWaalsContact C-N 3.31Å; G86-L88 PolarHBondContact O-N 3.43Å; L88-S91 PolarHBondContact O-OG 3.43Å
89	Y	37.7	Very low	38.4	Very low	192 Å²	192	104.1 Å²	104.1	75%	0.753	64%	0.636	S	S	*	*	H	α-helix	trans	-78.9	-36.8	179.7	-111	-98.3	0	0	0	113.3	L85 S91 G92	L85-Y89 PolarHBondContact O-N 3.36Å; Y89-S91 PolarHBondContact O-N 3.43Å; Y89-S91 VanDerWaalsContact O-N 3.11Å; Y89-G92 PolarHBondContact O-N 3.46Å
90	N	42.3	Very low	37.2	Very low	148 Å²	148	108.6 Å²	108.6	79%	0.791	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-5.7	-178.6	-79	-3	0	0	0	114.5	G86	G86-N90 WeakPolarHBondContact O-CB 3.45Å; G86-N90 PolarHBondContact O-N 2.91Å
91	S	43	Very low	36.7	Very low	99 Å²	99	110.6 Å²	110.6	69%	0.692	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	3.1	176.4	44.1	0	0	0	0	114.3	Q87 L88 Y89	Q87-S91 PolarHBondContact O-OG 2.87Å; L88-S91 PolarHBondContact O-OG 3.43Å; Y89-S91 PolarHBondContact O-N 3.43Å; Y89-S91 VanDerWaalsContact O-N 3.11Å
92	G	36.9	Very low	36.6	Very low	73 Å²	73	110.2 Å²	110.2	75%	0.753	68%	0.676	S	S	*	*	S	Bend	trans	-115	9.3	-175.4	0	0	0	0	0	117.3	Y89	Y89-G92 PolarHBondContact O-N 3.46Å
93	S	33	Very low	36.1	Very low	117 Å²	117	111 Å²	111	82%	0.818	68%	0.681	S	S	*	*			trans	-130.6	31.7	-164.3	-159.1	0	0	0	0	115.5
94	A	34.3	Very low	35.6	Very low	108 Å²	108	113.6 Å²	113.6	89%	0.893	69%	0.694	S	S	*	*			trans	-116.6	95	174.4	0	0	0	0	0	110.4
95	A	31.7	Very low	35.2	Very low	88 Å²	88	117.5 Å²	117.5	73%	0.727	72%	0.715	S	S	*	*			trans	-112.3	148.5	-174.9	0	0	0	0	0	113.1
96	E	29.4	Very low	35.3	Very low	199 Å²	199	117.8 Å²	117.8	93%	0.93	72%	0.723	S	S	*	*			trans	64.6	126.2	158.6	-65.7	173.5	-167.2	0	0	119.6
97	G	30.8	Very low	35.3	Very low	71 Å²	71	123.7 Å²	123.7	73%	0.732	74%	0.741	S	S	*	*			trans	-171.2	64.7	-174.6	0	0	0	0	0	116.7
98	S	32.3	Very low	34.9	Very low	107 Å²	107	126.5 Å²	126.5	75%	0.748	76%	0.755	S	S	*	*			trans	47.6	96.9	154.3	63.9	0	0	0	0	122
99	T	29.4	Very low	34.7	Very low	125 Å²	125	129.1 Å²	129.1	77%	0.767	76%	0.764	S	S	*	*				29.7	131.2	122.3	64	0	0	0	0	122.5
100	K	33.1	Very low	34.3	Very low	190 Å²	190	128.3 Å²	128.3	83%	0.826	77%	0.767	S	S	*	*				169.3	139.2	105.1	-93.2	179.4	-178.5	-179.1	0	114.1
101	S	32.5	Very low	33.7	Very low	111 Å²	111	127.6 Å²	127.6	78%	0.776	77%	0.768	S	S	*	*			trans	40.7	135.5	153.8	56.5	0	0	0	0	121.6
102	S	34.6	Very low	32.9	Very low	101 Å²	101	128.4 Å²	128.4	71%	0.706	77%	0.768	S	S	*	*			cis	-167.7	-161.4	-9.9	50.8	0	0	0	0	107.6
103	D	33.8	Very low	32.4	Very low	134 Å²	134	131.1 Å²	131.1	72%	0.717	78%	0.775	S	S	*	*			cis	-163.6	-173.2	13.1	-135.9	-54.2	0	0	0	112.3
104	V	35.2	Very low	32	Very low	121 Å²	121	128.6 Å²	128.6	73%	0.733	77%	0.767	S	S	*	*			trans	19.5	102	165.7	-169.6	0	0	0	0	117.9
105	N	33.7	Very low	31.7	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	76%	0.762	S	S	*	*				80.1	162.2	63.7	-136	34	0	0	0	114.1
106	P	42.1	Very low	31.4	Very low	97 Å²	97	133.9 Å²	133.9	63%	0.63	77%	0.766	S	S	*	*				-138.2	-168.6	-98.9	45.6	-27.6	0	0	0	115.1
107	Q	34.5	Very low	31.2	Very low	157 Å²	157	133.6 Å²	133.6	73%	0.734	77%	0.765	S	S	*	*			trans	-173.3	122.1	139.2	-102.3	-176.9	-64.6	0	0	108.8
108	E	34.5	Very low	31	Very low	156 Å²	156	139.7 Å²	139.7	73%	0.729	78%	0.775	S	S	*	*				78.1	129.3	97.8	-80.9	169.9	-169.5	0	0	113.8
109	E	33.5	Very low	30.8	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	77%	0.773	S	S	*	*			cis	-137.2	146.8	2.6	-87.3	167.8	141.8	0	0	109.8
110	Q	29.3	Very low	30.6	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.822	77%	0.772	S	S	*	*				47.9	140.5	93.7	-51.9	-162.5	19.2	0	0	115.5
111	V	30.9	Very low	30.4	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	77%	0.772	S	S	*	*			cis	-136.6	166.3	38.3	171.8	0	0	0	0	113.6
112	T	26.1	Very low	30.2	Very low	115 Å²	115	137.7 Å²	137.7	71%	0.706	78%	0.776	S	S	*	*			trans	-94.7	165.8	-164.1	52.9	0	0	0	0	117.9
113	C	25	Very low	29.8	Very low	131 Å²	131	136.8 Å²	136.8	89%	0.885	78%	0.775	S	S	*	*			trans	75.2	149.3	155.3	-65.5	0	0	0	0	118.6
114	G	26.2	Very low	29.4	Very low	63 Å²	63	135.8 Å²	135.8	65%	0.649	79%	0.786	S	S	*	*			cis	151.8	160.2	-6.7	0	0	0	0	0	112.4
115	V	27.7	Very low	28.9	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	79%	0.787	S	S	*	*			trans	67.6	103.7	177.8	-171.5	0	0	0	0	112.2
116	E	25.1	Very low	28.5	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	79%	0.792	S	S	*	*				67.4	145.5	88.7	-63.2	179.5	155.7	0	0	114.9
117	E	25.7	Very low	27.9	Very low	194 Å²	194	138.3 Å²	138.3	91%	0.907	81%	0.806	S	S	*	*			trans	61.4	71.7	177.7	-57.9	-158.2	130.3	0	0	119.8
118	E	25.4	Very low	27.4	Very low	199 Å²	199	135.8 Å²	135.8	93%	0.93	81%	0.805	S	S	*	*			trans	-159.3	87.7	146.4	-126.7	178.5	-141.8	0	0	113.9
119	A	27.7	Very low	27	Very low	86 Å²	86	134.8 Å²	134.8	71%	0.711	81%	0.809	S	S	*	*			trans	-156.6	12.1	175	0	0	0	0	0	115.9	N121	A119-N121 PolarHBondContact O-N 3.49Å
120	S	27.1	Very low	26.8	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-8.7	-176.9	48.3	0	0	0	0	114.8
121	N	27.8	Very low	26.6	Very low	155 Å²	155	130.8 Å²	130.8	83%	0.829	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	29.9	-172.5	-69.6	-35.4	0	0	0	114.4	A119	A119-N121 PolarHBondContact O-N 3.49Å
122	V	27.8	Very low	26.5	Very low	142 Å²	142	128.9 Å²	128.9	86%	0.861	80%	0.796	S	S	*	*			trans	-117.6	41.9	171	-158.3	0	0	0	0	111.3
123	A	26.6	Very low	26.5	Very low	82 Å²	82	132.1 Å²	132.1	68%	0.678	80%	0.8	S	S	*	*	S	Bend	trans	-135.2	132.4	169.4	0	0	0	0	0	109
124	A	25.8	Very low	26.5	Very low	114 Å²	114	130.9 Å²	130.9	94%	0.942	79%	0.793	S	S	*	*	S	Bend	trans	57.8	93.2	-172.2	0	0	0	0	0	115.1
125	G	23.7	Very low	26.5	Very low	75 Å²	75	135 Å²	135	77%	0.773	80%	0.8	S	S	*	*	S	Bend	trans	179.5	-47.6	169.1	0	0	0	0	0	116
126	L	25.8	Very low	26.5	Very low	168 Å²	168	134.1 Å²	134.1	88%	0.88	80%	0.795	S	S	*	*			trans	-121.3	123	-173.9	-73.4	85.5	0	0	0	112.6
127	L	29	Very low	26.4	Very low	176 Å²	176	129.4 Å²	129.4	92%	0.921	78%	0.782	S	S	*	*			trans	-177	44	133.8	-100.4	164.7	0	0	0	111.4
128	S	24.9	Very low	26.5	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	77%	0.77	S	S	*	*			trans	-76.2	155.5	162.2	50.3	0	0	0	0	110.2
129	V	26.8	Very low	26.7	Very low	135 Å²	135	121.1 Å²	121.1	82%	0.818	76%	0.759	S	S	*	*			trans	66.3	80.8	178.2	-164.6	0	0	0	0	115
130	V	28.8	Very low	26.8	Very low	129 Å²	129	119.1 Å²	119.1	78%	0.782	74%	0.74	S	S	*	*				-145.2	112.8	98.1	-176.9	0	0	0	0	108.7
131	D	25.1	Very low	27.2	Very low	132 Å²	132	117.4 Å²	117.4	71%	0.706	73%	0.726	S	S	*	*			trans	-79.8	120.6	167.2	177.8	7.5	0	0	0	109.3
132	S	28.1	Very low	27.6	Very low	93 Å²	93	115.1 Å²	115.1	65%	0.65	72%	0.717	S	S	*	*			trans	-159.8	75	169.2	-80.4	0	0	0	0	110.7	S134	S132-S134 PolarHBondContact O-N 3.32Å; S132-S134 VanDerWaalsContact O-N 3.08Å; S132-S134 PolarHBondContact O-OG 3.33Å
133	K	25.7	Very low	28.5	Very low	182 Å²	182	112.4 Å²	112.4	79%	0.791	70%	0.698	S	S	*	*			trans	-17.6	102.1	168.4	-63.9	174.5	-176.2	175.3	0	114.7
134	S	26.4	Very low	29.7	Very low	105 Å²	105	109.5 Å²	109.5	73%	0.734	67%	0.67	S	S	*	*			trans	-137.4	34.9	165.7	47.6	0	0	0	0	111.9	S132 V136	S132-S134 PolarHBondContact O-N 3.32Å; S132-S134 VanDerWaalsContact O-N 3.08Å; S132-S134 PolarHBondContact O-OG 3.33Å; S134-V136 VanDerWaalsContact C-N 3.25Å; S134-V136 PolarHBondContact O-N 2.95Å
135	D	24.9	Very low	31.3	Very low	150 Å²	150	105.3 Å²	105.3	80%	0.802	63%	0.631	S	S	*	*			trans	-60.1	89.6	159.6	-70.9	-52.5	0	0	0	109.5	S137	D135-S137 PolarHBondContact O-N 3.5Å
136	V	28.8	Very low	32.9	Very low	112 Å²	112	104.5 Å²	104.5	68%	0.679	62%	0.618	S	S	*	*			trans	-74.9	68.8	160.9	-172.4	0	0	0	0	107.2	S134 F138	S134-V136 VanDerWaalsContact C-N 3.25Å; S134-V136 PolarHBondContact O-N 2.95Å; V136-F138 PolarHBondContact O-N 3.04Å
137	S	23.4	Very low	34.4	Very low	78 Å²	78	98.4 Å²	98.4	55%	0.545	59%	0.589	S	S	.	*			trans	-61.3	133.9	164.3	69.6	0	0	0	0	107.6	D135 G139	D135-S137 PolarHBondContact O-N 3.5Å; S137-G139 PolarHBondContact O-N 3.49Å; S137-G139 VanDerWaalsContact O-N 3.1Å
138	F	27.2	Very low	36.1	Very low	152 Å²	152	90.1 Å²	90.1	67%	0.667	55%	0.546	S	S	*	.	S	Bend	trans	-75.3	10.1	176	-110.8	-93.4	0	0	0	112.5	V136	V136-F138 PolarHBondContact O-N 3.04Å
139	G	29.3	Very low	38.3	Very low	67 Å²	67	91.1 Å²	91.1	69%	0.691	53%	0.534	S	S	*	.			trans	-99.8	23.7	-174.4	0	0	0	0	0	115.4	S137	S137-G139 PolarHBondContact O-N 3.49Å; S137-G139 VanDerWaalsContact O-N 3.1Å
140	S	29.3	Very low	40.2	Very low	44 Å²	44	86.9 Å²	86.9	31%	0.308	51%	0.505	S	S	.	.			trans	-92.1	117.2	161.1	170.3	0	0	0	0	108.3	V142 N143 F144	S140-V142 PolarHBondContact O-N 3.24Å; S140-V142 VanDerWaalsContact O-N 3.11Å; S140-N143 PolarHBondContact O-N 2.92Å; S140-F144 PolarHBondContact O-N 2.96Å; S140-F144 VanDerWaalsContact O-N 3.14Å
141	P	36.5	Very low	42	Very low	70 Å²	70	82.2 Å²	82.2	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-54.3	-33.9	-179.9	-28.4	35.7	0	0	0	113	N143 F144 L145	P141-N143 VanDerWaalsContact C-N 3.34Å; P141-N143 PolarHBondContact O-N 2.91Å; P141-F144 PolarHBondContact O-N 2.7Å; P141-L145 WeakPolarHBondContact O-CB 3.38Å; P141-L145 WeakPolarHBondContact O-CG 3.49Å; P141-L145 PolarHBondContact O-N 2.87Å
142	V	34.9	Very low	44.1	Very low	108 Å²	108	76 Å²	76	66%	0.655	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-37.8	177.7	-171.1	0	0	0	0	112.1	S140 A146	S140-V142 PolarHBondContact O-N 3.24Å; S140-V142 VanDerWaalsContact O-N 3.11Å; V142-A146 VanDerWaalsContact O-CB 3.23Å; V142-A146 WeakPolarHBondContact O-CB 3.25Å; V142-A146 PolarHBondContact O-N 3.03Å
143	N	47.9	Very low	46.1	Very low	85 Å²	85	73.4 Å²	73.4	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-74.1	-36.1	175.9	-72.1	-13.3	0	0	0	111.4	S140 P141 S147	S140-N143 PolarHBondContact O-N 2.92Å; P141-N143 VanDerWaalsContact C-N 3.34Å; P141-N143 PolarHBondContact O-N 2.91Å; N143-S147 WeakPolarHBondContact O-CB 3.36Å; N143-S147 PolarHBondContact O-N 3.33Å
144	F	50.7	Low	48.1	Very low	21 Å²	21	65 Å²	65	9%	0.092	39%	0.387	C	S	.	.	H	α-helix	trans	-67.5	-53.6	178.8	-177.3	-104.4	0	0	0	111.7	S140 P141 A146 S147 M148 V252	S140-F144 PolarHBondContact O-N 2.96Å; S140-F144 VanDerWaalsContact O-N 3.14Å; P141-F144 PolarHBondContact O-N 2.7Å; F144-A146 VanDerWaalsContact C-N 3.29Å; F144-A146 PolarHBondContact O-N 3.32Å; F144-S147 CarbonylContact O-C 3.58Å; F144-S147 WeakPolarHBondContact O-CA 3.22Å; F144-S147 WeakPolarHBondContact O-CB 3.33Å; F144-S147 PolarHBondContact O-N 3.47Å; F144-M148 HydrophobicContact CE1-CE 3.55Å; F144-M148 HydrophobicContact CZ-CE 3.59Å; F144-M148 PolarHBondContact O-N 3.39Å; F144-V252 HydrophobicContact CE2-CG2 4.2Å
145	L	60.1	Low	49.9	Very low	25 Å²	25	60.5 Å²	60.5	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-58.5	-38.3	176.7	-69.8	166.7	0	0	0	112.1	P141 M148 R149 L167 E170 E171	P141-L145 WeakPolarHBondContact O-CB 3.38Å; P141-L145 WeakPolarHBondContact O-CG 3.49Å; P141-L145 PolarHBondContact O-N 2.87Å; L145-M148 PolarHBondContact O-N 2.7Å; L145-R149 WeakPolarHBondContact O-CB 3.41Å; L145-R149 PolarHBondContact O-N 3.31Å; L145-L167 HydrophobicContact CB-CD2 4.45Å; L145-L167 HydrophobicContact CD2-CD2 3.82Å; L145-E170 HydrophobicContact CD2-CB 4.2Å; L145-E170 HydrophobicContact CD2-CG 4.24Å; L145-E170 WeakPolarHBondContact CD2-OE2 3.4Å; L145-E171 HydrophobicContact CD1-CG 3.69Å
146	A	57.1	Low	51.7	Low	59 Å²	59	54.3 Å²	54.3	49%	0.488	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-41.3	174.2	0	0	0	0	0	112.7	V142 F144 R149 E150	V142-A146 VanDerWaalsContact O-CB 3.23Å; V142-A146 WeakPolarHBondContact O-CB 3.25Å; V142-A146 PolarHBondContact O-N 3.03Å; F144-A146 VanDerWaalsContact C-N 3.29Å; F144-A146 PolarHBondContact O-N 3.32Å; A146-R149 PolarHBondContact O-N 3.05Å; A146-E150 PolarHBondContact O-N 2.86Å
147	S	57.2	Low	53.4	Low	40 Å²	40	52.2 Å²	52.2	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-67.8	-38.1	175.3	-172.5	0	0	0	0	112.1	N143 F144 K151	N143-S147 WeakPolarHBondContact O-CB 3.36Å; N143-S147 PolarHBondContact O-N 3.33Å; F144-S147 CarbonylContact O-C 3.58Å; F144-S147 WeakPolarHBondContact O-CA 3.22Å; F144-S147 WeakPolarHBondContact O-CB 3.33Å; F144-S147 PolarHBondContact O-N 3.47Å; S147-K151 PolarHBondContact O-N 3.22Å
148	M	66.1	Low	55.4	Low	1 Å²	1	50.8 Å²	50.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-48.2	172.9	-173.2	177.6	-55.1	0	0	110.9	F144 L145 E150 K151 L152 L167 E170 V252 M280	F144-M148 HydrophobicContact CE1-CE 3.55Å; F144-M148 HydrophobicContact CZ-CE 3.59Å; F144-M148 PolarHBondContact O-N 3.39Å; L145-M148 PolarHBondContact O-N 2.7Å; M148-E150 VanDerWaalsContact C-N 3.3Å; M148-E150 PolarHBondContact O-N 3.2Å; M148-K151 CarbonylContact O-C 3.54Å; M148-K151 PolarHBondContact O-N 3.06Å; M148-K151 VanDerWaalsContact O-N 3.07Å; M148-L152 HydrophobicContact CG-CD1 3.59Å; M148-L152 HydrophobicContact CG-CG 3.67Å; M148-L152 WeakPolarHBondContact O-CB 3.35Å; M148-L152 WeakPolarHBondContact O-CG 3.44Å; M148-L152 PolarHBondContact O-N 2.92Å; M148-L152 HydrophobicContact SD-CD1 3.68Å; M148-L152 HydrophobicContact SD-CG 4.35Å; M148-L167 HydrophobicContact CB-CD2 4.49Å; M148-E170 VanDerWaalsContact CE-OE1 3.25Å; M148-E170 WeakPolarHBondContact CE-OE1 3.44Å; M148-E170 WeakPolarHBondContact CE-OE2 3.47Å; M148-V252 HydrophobicContact CB-CG1 4.01Å; M148-V252 HydrophobicContact CE-CG1 4.16Å; M148-V252 HydrophobicContact CG-CG1 3.81Å; M148-M280 HydrophobicContact CE-CE 3.92Å; M148-M280 HydrophobicContact SD-CE 3.95Å
149	R	69.9	Low	57.2	Low	125 Å²	125	49.1 Å²	49.1	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-40.5	179.1	-164.9	169.7	-159	-156.9	1.4	112.1	L145 A146 S153 D164 L167	L145-R149 WeakPolarHBondContact O-CB 3.41Å; L145-R149 PolarHBondContact O-N 3.31Å; A146-R149 PolarHBondContact O-N 3.05Å; R149-S153 VanDerWaalsContact O-CB 3.28Å; R149-S153 WeakPolarHBondContact O-CB 3.33Å; R149-S153 PolarHBondContact O-N 3.37Å; R149-S153 PolarHBondContact O-OG 3.08Å; R149-D164 IonicContact CZ-OD1 2.73Å; R149-D164 VanDerWaalsContact CZ-OD1 3.26Å; R149-D164 IonicContact NE-OD1 2.71Å; R149-D164 PolarHBondContact NE-OD1 2.82Å; R149-D164 IonicContact NH2-OD1 2.7Å; R149-D164 PolarHBondContact NH2-OD1 2.76Å; R149-D164 IonicContact NH2-OD2 3.75Å; R149-D164 PolarHBondContact NH2-OD2 3.05Å; R149-L167 HydrophobicContact CB-CD1 3.72Å; R149-L167 HydrophobicContact CB-CD2 4.44Å; R149-L167 HydrophobicContact CG-CD1 3.54Å
150	E	66.7	Low	58.9	Low	46 Å²	46	50.7 Å²	50.7	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-39.8	174.3	-173.6	153	-174.4	0	0	112.2	A146 M148 S153 S154 R408 R411	A146-E150 PolarHBondContact O-N 2.86Å; M148-E150 VanDerWaalsContact C-N 3.3Å; M148-E150 PolarHBondContact O-N 3.2Å; E150-S153 PolarHBondContact O-OG 3.49Å; E150-S154 WeakPolarHBondContact O-CB 3.32Å; E150-S154 PolarHBondContact O-N 2.73Å; E150-S154 PolarHBondContact O-OG 3.11Å; E150-R408 WeakPolarHBondContact OE1-CB 3.48Å; E150-R408 PolarHBondContact OE1-N 2.87Å; E150-R408 IonicContact OE2-CZ 3.19Å; E150-R408 IonicContact OE2-NH2 3.26Å; E150-R408 PolarHBondContact OE2-NH2 2.82Å; E150-R411 IonicContact OE1-NH2 2.71Å; E150-R411 PolarHBondContact OE1-NH2 2.97Å
151	K	66.1	Low	60.7	Low	32 Å²	32	55.7 Å²	55.7	14%	0.139	32%	0.317	C	S	.	.	H	α-helix	trans	-72.9	-33.7	176.2	-88.6	-163	153.8	-158.6	0	115.1	S147 M148 S154 I155 V252 F253 D389	S147-K151 PolarHBondContact O-N 3.22Å; M148-K151 CarbonylContact O-C 3.54Å; M148-K151 PolarHBondContact O-N 3.06Å; M148-K151 VanDerWaalsContact O-N 3.07Å; K151-S154 PolarHBondContact O-OG 3.07Å; K151-I155 WeakPolarHBondContact O-CG1 3.17Å; K151-V252 HydrophobicContact CB-CG1 4.47Å; K151-V252 HydrophobicContact CD-CB 4Å; K151-V252 HydrophobicContact CD-CG1 4.46Å; K151-V252 HydrophobicContact CD-CG2 4.08Å; K151-F253 HydrophobicContact CB-CZ 4.42Å; K151-F253 HydrophobicContact CD-CE1 4.44Å; K151-F253 HydrophobicContact CD-CE2 3.99Å; K151-F253 HydrophobicContact CD-CZ 3.86Å; K151-D389 IonicContact NZ-OD2 3.81Å; K151-D389 PolarHBondContact NZ-OD2 2.9Å
152	L	69.8	Low	62.2	Low	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-78.7	-39.3	179.1	-66.1	-170.2	0	0	0	111.5	M148 S154 I155 V163 L279 M280	M148-L152 HydrophobicContact CG-CD1 3.59Å; M148-L152 HydrophobicContact CG-CG 3.67Å; M148-L152 WeakPolarHBondContact O-CB 3.35Å; M148-L152 WeakPolarHBondContact O-CG 3.44Å; M148-L152 PolarHBondContact O-N 2.92Å; M148-L152 HydrophobicContact SD-CD1 3.68Å; M148-L152 HydrophobicContact SD-CG 4.35Å; L152-S154 PolarHBondContact O-N 3.21Å; L152-I155 HydrophobicContact CD2-CD1 4.05Å; L152-I155 PolarHBondContact O-N 2.91Å; L152-V163 HydrophobicContact CB-CB 4.49Å; L152-V163 HydrophobicContact CB-CG1 3.7Å; L152-V163 HydrophobicContact CB-CG2 3.96Å; L152-V163 HydrophobicContact CD1-CG1 4.21Å; L152-L279 HydrophobicContact CD1-CD2 3.69Å; L152-L279 HydrophobicContact CD2-CD2 3.5Å; L152-L279 HydrophobicContact CG-CD2 4.17Å; L152-M280 HydrophobicContact CD2-CE 4.17Å
153	S	70.2	Confident	63.7	Low	40 Å²	40	51 Å²	51	28%	0.28	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.7	172.4	64.2	0	0	0	0	114.1	R149 E150	R149-S153 VanDerWaalsContact O-CB 3.28Å; R149-S153 WeakPolarHBondContact O-CB 3.33Å; R149-S153 PolarHBondContact O-N 3.37Å; R149-S153 PolarHBondContact O-OG 3.08Å; E150-S153 PolarHBondContact O-OG 3.49Å
154	S	66.6	Low	64.8	Low	4 Å²	4	49.8 Å²	49.8	3%	0.028	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.4	169.9	76	0	0	0	0	114.6	E150 K151 L152 P156 S392 L405	E150-S154 WeakPolarHBondContact O-CB 3.32Å; E150-S154 PolarHBondContact O-N 2.73Å; E150-S154 PolarHBondContact O-OG 3.11Å; K151-S154 PolarHBondContact O-OG 3.07Å; L152-S154 PolarHBondContact O-N 3.21Å; S154-P156 WeakPolarHBondContact O-CD 3.27Å; S154-S392 PolarHBondContact OG-OG 3.33Å; S154-S392 VanDerWaalsContact OG-OG 3.09Å; S154-L405 WeakPolarHBondContact O-CD1 3.48Å
155	I	65.4	Low	65.8	Low	11 Å²	11	52.8 Å²	52.8	6%	0.056	29%	0.291	C	S	.	.	S	Bend	trans	-98.3	111.9	177.2	-64.2	164.9	0	0	0	109.9	K151 L152 G157 F253 T283	K151-I155 WeakPolarHBondContact O-CG1 3.17Å; L152-I155 HydrophobicContact CD2-CD1 4.05Å; L152-I155 PolarHBondContact O-N 2.91Å; I155-G157 PolarHBondContact O-N 3.01Å; I155-F253 HydrophobicContact CD1-CE1 4.07Å; I155-F253 HydrophobicContact CD1-CZ 4.34Å; I155-T283 HydrophobicContact CD1-CG2 3.88Å
156	P	63	Low	66	Low	20 Å²	20	53.2 Å²	53.2	13%	0.13	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	131.4	177.4	-23.8	36.5	0	0	0	111.7	S154 K286 C394 L405	S154-P156 WeakPolarHBondContact O-CD 3.27Å; P156-K286 PolarHBondContact O-NZ 3.2Å; P156-C394 HydrophobicContact CB-CB 4.08Å; P156-C394 HydrophobicContact CG-CB 3.89Å; P156-L405 HydrophobicContact CG-CD1 4.24Å
157	G	63.7	Low	66.7	Low	69 Å²	69	51 Å²	51	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	111	-16.7	-179.6	0	0	0	0	0	115.1	I155	I155-G157 PolarHBondContact O-N 3.01Å
158	H	66.3	Low	67.4	Low	47 Å²	47	56.4 Å²	56.4	22%	0.218	29%	0.287	C	S	.	.			trans	-85.4	136.6	174.6	-82.7	-53	0	0	0	112.8	E162 V163 L279	H158-E162 IonicContact CE1-OE2 2.67Å; H158-E162 IonicContact CG-OE2 2.6Å; H158-E162 IonicContact ND1-OE2 3.82Å; H158-E162 PolarHBondContact ND1-OE2 2.92Å; H158-V163 HydrophobicContact CB-CG2 4.2Å; H158-L279 WeakPolarHBondContact CE1-CD1 3.48Å
159	K	63.9	Low	67.5	Low	117 Å²	117	60.9 Å²	60.9	51%	0.509	31%	0.308	S	S	.	.			trans	-76.3	144.2	173.3	-61.7	176.9	-170.6	163.1	0	109.9	E161 E162 V163	K159-E161 HydrophobicContact CB-CB 4.44Å; K159-E161 PolarHBondContact O-N 2.72Å; K159-E161 VanDerWaalsContact O-N 3.15Å; K159-E162 HydrophobicContact CB-CB 4.47Å; K159-E162 HydrophobicContact CB-CG 4.03Å; K159-E162 WeakPolarHBondContact CD-OE1 3.22Å; K159-E162 PolarHBondContact N-OE2 3.23Å; K159-E162 IonicContact NZ-OE1 3.34Å; K159-E162 WeakPolarHBondContact O-CB 3.47Å; K159-E162 PolarHBondContact O-N 3.12Å; K159-V163 PolarHBondContact O-N 3.06Å
160	P	65.4	Low	67.2	Low	101 Å²	101	55.8 Å²	55.8	66%	0.656	29%	0.289	S	S	*	.	H	α-helix	trans	-54.1	-33.9	170.8	-26.8	35.5	0	0	0	113	V163 D164	P160-V163 PolarHBondContact O-N 3.03Å; P160-D164 WeakPolarHBondContact O-CB 3.14Å; P160-D164 PolarHBondContact O-N 3.47Å
161	E	67.4	Low	67.3	Low	148 Å²	148	59 Å²	59	69%	0.692	30%	0.304	S	S	*	.	H	α-helix	trans	-61.6	-40.6	175.7	-61.4	172.3	161.9	0	0	112.7	K159 E165	K159-E161 HydrophobicContact CB-CB 4.44Å; K159-E161 PolarHBondContact O-N 2.72Å; K159-E161 VanDerWaalsContact O-N 3.15Å; E161-E165 WeakPolarHBondContact O-CB 3.32Å; E161-E165 PolarHBondContact O-N 2.67Å
162	E	68.4	Low	67.3	Low	72 Å²	72	64 Å²	64	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-68.4	-38.3	178.1	-67.2	161.3	-168.1	0	0	111.2	H158 K159 M166	H158-E162 IonicContact CE1-OE2 2.67Å; H158-E162 IonicContact CG-OE2 2.6Å; H158-E162 IonicContact ND1-OE2 3.82Å; H158-E162 PolarHBondContact ND1-OE2 2.92Å; K159-E162 HydrophobicContact CB-CB 4.47Å; K159-E162 HydrophobicContact CB-CG 4.03Å; K159-E162 WeakPolarHBondContact CD-OE1 3.22Å; K159-E162 PolarHBondContact N-OE2 3.23Å; K159-E162 IonicContact NZ-OE1 3.34Å; K159-E162 WeakPolarHBondContact O-CB 3.47Å; K159-E162 PolarHBondContact O-N 3.12Å; E162-M166 PolarHBondContact O-N 3.11Å; E162-M166 VanDerWaalsContact O-N 3.12Å
163	V	66.8	Low	67	Low	7 Å²	7	69.2 Å²	69.2	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-72.6	-45.5	179.7	178.6	0	0	0	0	111.3	L152 H158 K159 P160 E165 M166 L167	L152-V163 HydrophobicContact CB-CB 4.49Å; L152-V163 HydrophobicContact CB-CG1 3.7Å; L152-V163 HydrophobicContact CB-CG2 3.96Å; L152-V163 HydrophobicContact CD1-CG1 4.21Å; H158-V163 HydrophobicContact CB-CG2 4.2Å; K159-V163 PolarHBondContact O-N 3.06Å; P160-V163 PolarHBondContact O-N 3.03Å; V163-E165 VanDerWaalsContact C-N 3.34Å; V163-M166 PolarHBondContact O-N 2.9Å; V163-L167 HydrophobicContact CG1-CD1 3.97Å; V163-L167 WeakPolarHBondContact O-CD1 3.48Å; V163-L167 VanDerWaalsContact O-CG 3.28Å; V163-L167 WeakPolarHBondContact O-CG 3.49Å; V163-L167 PolarHBondContact O-N 3.34Å
164	D	70.6	Confident	66.5	Low	61 Å²	61	69.6 Å²	69.6	33%	0.326	35%	0.351	S	S	.	.	H	α-helix	trans	-71.7	-28.6	179.5	-77.2	-1.8	0	0	0	112.3	R149 P160 R168	R149-D164 IonicContact CZ-OD1 2.73Å; R149-D164 VanDerWaalsContact CZ-OD1 3.26Å; R149-D164 IonicContact NE-OD1 2.71Å; R149-D164 PolarHBondContact NE-OD1 2.82Å; R149-D164 IonicContact NH2-OD1 2.7Å; R149-D164 PolarHBondContact NH2-OD1 2.76Å; R149-D164 IonicContact NH2-OD2 3.75Å; R149-D164 PolarHBondContact NH2-OD2 3.05Å; P160-D164 WeakPolarHBondContact O-CB 3.14Å; P160-D164 PolarHBondContact O-N 3.47Å; D164-R168 WeakPolarHBondContact O-CG 3.29Å; D164-R168 PolarHBondContact O-N 3.45Å; D164-R168 VanDerWaalsContact O-N 3.14Å
165	E	72.2	Confident	66.3	Low	84 Å²	84	75.4 Å²	75.4	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-70.3	-42.7	171.2	-178.7	57.2	-157.1	0	0	112	E161 V163 L167 R168 Q169	E161-E165 WeakPolarHBondContact O-CB 3.32Å; E161-E165 PolarHBondContact O-N 2.67Å; V163-E165 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.95Å; E165-R168 WeakPolarHBondContact O-CB 3.17Å; E165-R168 PolarHBondContact O-N 2.86Å; E165-R168 IonicContact OE2-NH1 2.63Å; E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 2.89Å; E165-Q169 PolarHBondContact OE1-NE2 3.06Å
166	M	64.4	Low	66.3	Low	33 Å²	33	81.6 Å²	81.6	16%	0.163	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-38.9	173.5	-87.3	-172.4	54	0	0	113	E162 V163 R168 Q169 E170 N277 L279	E162-M166 PolarHBondContact O-N 3.11Å; E162-M166 VanDerWaalsContact O-N 3.12Å; V163-M166 PolarHBondContact O-N 2.9Å; M166-R168 VanDerWaalsContact C-N 3.27Å; M166-R168 PolarHBondContact O-N 3.17Å; M166-Q169 PolarHBondContact O-N 3.4Å; M166-E170 PolarHBondContact O-N 3.14Å; M166-N277 WeakPolarHBondContact CE-ND2 3.37Å; M166-L279 HydrophobicContact CE-CB 3.93Å; M166-L279 HydrophobicContact CE-CD2 3.96Å; M166-L279 HydrophobicContact CE-CG 4.47Å; M166-L279 HydrophobicContact SD-CB 3.54Å; M166-L279 VanDerWaalsContact SD-CB 3.54Å; M166-L279 HydrophobicContact SD-CD1 3.72Å; M166-L279 HydrophobicContact SD-CD2 3.71Å; M166-L279 HydrophobicContact SD-CG 3.85Å
167	L	70	Confident	66	Low	13 Å²	13	83.4 Å²	83.4	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-33.8	175.8	-72.6	164.8	0	0	0	111.8	L145 M148 R149 V163 E165 E171	L145-L167 HydrophobicContact CB-CD2 4.45Å; L145-L167 HydrophobicContact CD2-CD2 3.82Å; M148-L167 HydrophobicContact CB-CD2 4.49Å; R149-L167 HydrophobicContact CB-CD1 3.72Å; R149-L167 HydrophobicContact CB-CD2 4.44Å; R149-L167 HydrophobicContact CG-CD1 3.54Å; V163-L167 HydrophobicContact CG1-CD1 3.97Å; V163-L167 WeakPolarHBondContact O-CD1 3.48Å; V163-L167 VanDerWaalsContact O-CG 3.28Å; V163-L167 WeakPolarHBondContact O-CG 3.49Å; V163-L167 PolarHBondContact O-N 3.34Å; E165-L167 PolarHBondContact O-N 2.95Å; L167-E171 WeakPolarHBondContact O-CB 3.48Å; L167-E171 VanDerWaalsContact O-CG 3.31Å; L167-E171 WeakPolarHBondContact O-CG 3.23Å; L167-E171 PolarHBondContact O-N 2.92Å
168	R	72.4	Confident	65.6	Low	154 Å²	154	86 Å²	86	58%	0.581	41%	0.408	S	S	*	.	H	α-helix	trans	-65.7	-43.4	170.9	-76.8	169.7	172	177.5	-1.6	112.6	D164 E165 M166 E171 E172	D164-R168 WeakPolarHBondContact O-CG 3.29Å; D164-R168 PolarHBondContact O-N 3.45Å; D164-R168 VanDerWaalsContact O-N 3.14Å; E165-R168 WeakPolarHBondContact O-CB 3.17Å; E165-R168 PolarHBondContact O-N 2.86Å; E165-R168 IonicContact OE2-NH1 2.63Å; M166-R168 VanDerWaalsContact C-N 3.27Å; M166-R168 PolarHBondContact O-N 3.17Å; R168-E171 PolarHBondContact O-N 3.07Å; R168-E172 WeakPolarHBondContact O-CB 3.38Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 2.6Å
169	Q	68.5	Low	64.9	Low	95 Å²	95	89.3 Å²	89.3	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-45.6	178.3	-68.9	169.5	14	0	0	110.4	E165 M166 E171 E172 E173	E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 2.89Å; E165-Q169 PolarHBondContact OE1-NE2 3.06Å; M166-Q169 PolarHBondContact O-N 3.4Å; Q169-E171 VanDerWaalsContact C-N 3.35Å; Q169-E171 PolarHBondContact O-N 3.44Å; Q169-E172 PolarHBondContact O-N 2.67Å; Q169-E173 WeakPolarHBondContact O-CB 3.05Å; Q169-E173 WeakPolarHBondContact O-CG 3.27Å; Q169-E173 PolarHBondContact O-N 3.5Å
170	E	63.5	Low	64.5	Low	18 Å²	18	88 Å²	88	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-66.9	-32.1	176.1	-157.7	172.1	-129.9	0	0	112.2	L145 M148 M166 N174 R275	L145-E170 HydrophobicContact CD2-CB 4.2Å; L145-E170 HydrophobicContact CD2-CG 4.24Å; L145-E170 WeakPolarHBondContact CD2-OE2 3.4Å; M148-E170 VanDerWaalsContact CE-OE1 3.25Å; M148-E170 WeakPolarHBondContact CE-OE1 3.44Å; M148-E170 WeakPolarHBondContact CE-OE2 3.47Å; M166-E170 PolarHBondContact O-N 3.14Å; E170-N174 VanDerWaalsContact O-CB 3.31Å; E170-N174 WeakPolarHBondContact O-CB 3.29Å; E170-N174 PolarHBondContact O-N 3.05Å; E170-N174 VanDerWaalsContact O-N 3.14Å; E170-N174 PolarHBondContact O-ND2 3.33Å; E170-R275 IonicContact OE1-CZ 3.44Å; E170-R275 IonicContact OE1-NH1 3.22Å; E170-R275 PolarHBondContact OE1-NH1 2.87Å; E170-R275 IonicContact OE1-NH2 2.82Å
171	E	68	Low	63.8	Low	112 Å²	112	92.3 Å²	92.3	52%	0.523	43%	0.426	S	S	.	.	H	α-helix	trans	-68	-42	169.8	-81.6	-177.6	-178.8	0	0	113	L145 L167 R168 Q169 K175	L145-E171 HydrophobicContact CD1-CG 3.69Å; L167-E171 WeakPolarHBondContact O-CB 3.48Å; L167-E171 VanDerWaalsContact O-CG 3.31Å; L167-E171 WeakPolarHBondContact O-CG 3.23Å; L167-E171 PolarHBondContact O-N 2.92Å; R168-E171 PolarHBondContact O-N 3.07Å; Q169-E171 VanDerWaalsContact C-N 3.35Å; Q169-E171 PolarHBondContact O-N 3.44Å; E171-K175 VanDerWaalsContact O-CB 3.23Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 PolarHBondContact O-N 2.96Å
172	E	67	Low	62.9	Low	137 Å²	137	89.4 Å²	89.4	64%	0.64	42%	0.419	S	S	*	.	H	α-helix	trans	-70.7	-38.9	179.2	-74.9	-164.3	165.7	0	0	112.4	R168 Q169 K175 K176	R168-E172 WeakPolarHBondContact O-CB 3.38Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 2.6Å; Q169-E172 PolarHBondContact O-N 2.67Å; E172-K175 PolarHBondContact O-N 2.76Å; E172-K176 WeakPolarHBondContact O-CB 3.42Å; E172-K176 PolarHBondContact O-N 3.45Å
173	E	62.7	Low	61.8	Low	110 Å²	110	88.6 Å²	88.6	51%	0.514	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-45.4	174.5	-72	179.5	148.2	0	0	111.4	Q169 K175 K176 L177	Q169-E173 WeakPolarHBondContact O-CB 3.05Å; Q169-E173 WeakPolarHBondContact O-CG 3.27Å; Q169-E173 PolarHBondContact O-N 3.5Å; E173-K175 VanDerWaalsContact C-N 3.3Å; E173-K175 PolarHBondContact O-N 3.27Å; E173-K176 PolarHBondContact O-N 2.71Å; E173-L177 PolarHBondContact O-N 2.81Å
174	N	60.9	Low	60.8	Low	49 Å²	49	95.4 Å²	95.4	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-38.9	172.7	-89.8	-76.5	0	0	0	112.5	E170 L177 L178	E170-N174 VanDerWaalsContact O-CB 3.31Å; E170-N174 WeakPolarHBondContact O-CB 3.29Å; E170-N174 PolarHBondContact O-N 3.05Å; E170-N174 VanDerWaalsContact O-N 3.14Å; E170-N174 PolarHBondContact O-ND2 3.33Å; N174-L177 PolarHBondContact O-N 3.04Å; N174-L178 PolarHBondContact O-N 2.84Å
175	K	63.2	Low	59.4	Low	126 Å²	126	96.5 Å²	96.5	55%	0.548	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-39	176.1	-177.6	-178.7	177.7	-173.4	0	112.2	E171 E172 E173 L178 M179	E171-K175 VanDerWaalsContact O-CB 3.23Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 PolarHBondContact O-N 2.96Å; E172-K175 PolarHBondContact O-N 2.76Å; E173-K175 VanDerWaalsContact C-N 3.3Å; E173-K175 PolarHBondContact O-N 3.27Å; K175-L178 WeakPolarHBondContact O-CB 3.34Å; K175-L178 PolarHBondContact O-N 3.05Å; K175-M179 WeakPolarHBondContact O-CG 3.3Å; K175-M179 PolarHBondContact O-N 2.84Å; K175-M179 VanDerWaalsContact O-N 3.09Å
176	K	63.8	Low	58.1	Low	140 Å²	140	97.9 Å²	97.9	61%	0.609	49%	0.492	S	S	*	.	H	α-helix	trans	-65	-43.4	174.8	-172.4	-176.8	176.3	-169.9	0	111.5	E172 E173 L178 M179 D180	E172-K176 WeakPolarHBondContact O-CB 3.42Å; E172-K176 PolarHBondContact O-N 3.45Å; E173-K176 PolarHBondContact O-N 2.71Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 3.43Å; K176-M179 WeakPolarHBondContact O-CB 3.46Å; K176-M179 PolarHBondContact O-N 3.41Å; K176-M179 VanDerWaalsContact O-N 3.11Å; K176-D180 PolarHBondContact O-N 2.98Å
177	L	56.4	Low	56.8	Low	59 Å²	59	99.2 Å²	99.2	31%	0.309	51%	0.514	S	S	.	.	H	α-helix	trans	-59.3	-38.6	172.6	-85	154.6	0	0	0	113.1	E173 N174 M179 R181 V226	E173-L177 PolarHBondContact O-N 2.81Å; N174-L177 PolarHBondContact O-N 3.04Å; L177-M179 VanDerWaalsContact C-N 3.34Å; L177-R181 WeakPolarHBondContact O-CB 3.38Å; L177-R181 VanDerWaalsContact O-CG 3.25Å; L177-R181 WeakPolarHBondContact O-CG 3.37Å; L177-R181 PolarHBondContact O-N 2.79Å; L177-R181 VanDerWaalsContact O-N 3.08Å; L177-V226 HydrophobicContact CD1-CB 3.81Å; L177-V226 HydrophobicContact CD1-CG1 4.01Å; L177-V226 HydrophobicContact CD1-CG2 3.56Å; L177-V226 HydrophobicContact CD2-CG1 4.16Å
178	L	55.2	Low	54.9	Low	124 Å²	124	107.9 Å²	107.9	65%	0.649	55%	0.551	S	S	*	*	H	α-helix	trans	-64.4	-41.3	174.4	-162.2	72.7	0	0	0	111.1	N174 K175 K176 T182	N174-L178 PolarHBondContact O-N 2.84Å; K175-L178 WeakPolarHBondContact O-CB 3.34Å; K175-L178 PolarHBondContact O-N 3.05Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 3.43Å; L178-T182 PolarHBondContact O-N 2.86Å; L178-T182 VanDerWaalsContact O-N 3.09Å; L178-T182 PolarHBondContact O-OG1 2.76Å
179	M	53.4	Low	53.1	Low	116 Å²	116	108.5 Å²	108.5	57%	0.571	57%	0.566	S	S	*	*	H	α-helix	trans	-63.5	-50.2	175.8	-71.8	179.6	166.8	0	0	112.3	K175 K176 L177 R181 T182 A183	K175-M179 WeakPolarHBondContact O-CG 3.3Å; K175-M179 PolarHBondContact O-N 2.84Å; K175-M179 VanDerWaalsContact O-N 3.09Å; K176-M179 WeakPolarHBondContact O-CB 3.46Å; K176-M179 PolarHBondContact O-N 3.41Å; K176-M179 VanDerWaalsContact O-N 3.11Å; L177-M179 VanDerWaalsContact C-N 3.34Å; M179-R181 VanDerWaalsContact C-N 3.3Å; M179-R181 PolarHBondContact O-N 3.49Å; M179-T182 WeakPolarHBondContact CA-OG1 3.49Å; M179-T182 CarbonylContact O-C 3.51Å; M179-T182 PolarHBondContact O-N 3.06Å; M179-T182 PolarHBondContact O-OG1 3.16Å; M179-A183 PolarHBondContact O-N 3.1Å
180	D	55.5	Low	51.3	Low	88 Å²	88	112.7 Å²	112.7	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-59.8	-40	178.7	-76.9	-22.7	0	0	0	111.7	K176 T182 A183 L184	K176-D180 PolarHBondContact O-N 2.98Å; D180-T182 VanDerWaalsContact C-N 3.34Å; D180-T182 PolarHBondContact O-N 3.08Å; D180-A183 PolarHBondContact O-N 2.93Å; D180-L184 WeakPolarHBondContact O-CB 3.32Å; D180-L184 PolarHBondContact O-N 2.75Å
181	R	49.6	Very low	49.8	Very low	193 Å²	193	115.3 Å²	115.3	73%	0.728	62%	0.618	S	S	*	*	H	α-helix	trans	-64.7	-33.9	174.4	-69.4	175.7	102.9	159	7	112.8	L177 M179 A185	L177-R181 WeakPolarHBondContact O-CB 3.38Å; L177-R181 VanDerWaalsContact O-CG 3.25Å; L177-R181 WeakPolarHBondContact O-CG 3.37Å; L177-R181 PolarHBondContact O-N 2.79Å; L177-R181 VanDerWaalsContact O-N 3.08Å; M179-R181 VanDerWaalsContact C-N 3.3Å; M179-R181 PolarHBondContact O-N 3.49Å; R181-A185 WeakPolarHBondContact O-CB 3.47Å; R181-A185 PolarHBondContact O-N 3Å
182	T	47.7	Very low	48.3	Very low	86 Å²	86	120 Å²	120	53%	0.528	64%	0.636	S	S	.	*	H	α-helix	trans	-74.8	-29	172.1	55.1	0	0	0	0	113.7	L178 M179 D180 A185 T186	L178-T182 PolarHBondContact O-N 2.86Å; L178-T182 VanDerWaalsContact O-N 3.09Å; L178-T182 PolarHBondContact O-OG1 2.76Å; M179-T182 WeakPolarHBondContact CA-OG1 3.49Å; M179-T182 CarbonylContact O-C 3.51Å; M179-T182 PolarHBondContact O-N 3.06Å; M179-T182 PolarHBondContact O-OG1 3.16Å; D180-T182 VanDerWaalsContact C-N 3.34Å; D180-T182 PolarHBondContact O-N 3.08Å; T182-A185 PolarHBondContact O-N 3.36Å; T182-T186 PolarHBondContact O-N 3.22Å; T182-T186 PolarHBondContact O-OG1 3.17Å
183	A	45.8	Very low	46.7	Very low	56 Å²	56	120.4 Å²	120.4	46%	0.463	65%	0.648	S	S	.	*	H	α-helix	trans	-70.7	-46.8	174.8	0	0	0	0	0	111.1	M179 D180 A185 T186 G187	M179-A183 PolarHBondContact O-N 3.1Å; D180-A183 PolarHBondContact O-N 2.93Å; A183-A185 PolarHBondContact O-N 3.27Å; A183-T186 PolarHBondContact O-N 3.25Å; A183-T186 PolarHBondContact O-OG1 3.47Å; A183-G187 PolarHBondContact O-N 3.48Å; A183-G187 VanDerWaalsContact O-N 3.13Å
184	L	45.8	Very low	45.5	Very low	150 Å²	150	124 Å²	124	79%	0.785	66%	0.663	S	S	*	*	H	α-helix	trans	-59.9	-32	173.3	-83.2	153.6	0	0	0	112.9	D180 T186	D180-L184 WeakPolarHBondContact O-CB 3.32Å; D180-L184 PolarHBondContact O-N 2.75Å; L184-T186 VanDerWaalsContact C-N 3.31Å; L184-T186 PolarHBondContact O-N 3.49Å
185	A	42.3	Very low	45.2	Very low	84 Å²	84	126.6 Å²	126.6	69%	0.694	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-7.2	175.6	0	0	0	0	0	114.8	R181 T182 A183	R181-A185 WeakPolarHBondContact O-CB 3.47Å; R181-A185 PolarHBondContact O-N 3Å; T182-A185 PolarHBondContact O-N 3.36Å; A183-A185 PolarHBondContact O-N 3.27Å
186	T	44.5	Very low	44.7	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-6.3	-177	49.6	0	0	0	0	114.2	T182 A183 L184 K188	T182-T186 PolarHBondContact O-N 3.22Å; T182-T186 PolarHBondContact O-OG1 3.17Å; A183-T186 PolarHBondContact O-N 3.25Å; A183-T186 PolarHBondContact O-OG1 3.47Å; L184-T186 VanDerWaalsContact C-N 3.31Å; L184-T186 PolarHBondContact O-N 3.49Å; T186-K188 PolarHBondContact O-N 2.93Å
187	G	36.7	Very low	43.7	Very low	61 Å²	61	129 Å²	129	63%	0.629	69%	0.691	S	S	*	*			trans	-70.4	114.2	170.1	0	0	0	0	0	112.4	A183	A183-G187 PolarHBondContact O-N 3.48Å; A183-G187 VanDerWaalsContact O-N 3.13Å
188	K	30.7	Very low	43.5	Very low	194 Å²	194	130.2 Å²	130.2	84%	0.843	71%	0.705	S	S	*	*			trans	-63.5	134.4	175.9	-64	179.8	177.9	-175.4	0	111.9	T186	T186-K188 PolarHBondContact O-N 2.93Å
189	N	34.2	Very low	42.6	Very low	167 Å²	167	133.8 Å²	133.8	89%	0.893	72%	0.718	S	S	*	*			trans	-149.9	139.1	142.9	-132.7	-8.8	0	0	0	110.6
190	E	30.6	Very low	42.1	Very low	183 Å²	183	136.3 Å²	136.3	86%	0.855	73%	0.729	S	S	*	*			trans	-100.3	118.6	-172.1	-64.3	172.8	171.9	0	0	109.8
191	G	32.7	Very low	41	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	75%	0.752	S	S	*	*			trans	173.1	101.1	178.3	0	0	0	0	0	116.2
192	K	36.2	Very low	40.3	Very low	209 Å²	209	137.7 Å²	137.7	91%	0.909	76%	0.755	S	S	*	*			trans	35	106.3	157.9	-65.7	-175.4	175.9	-176.1	0	117.9	F194	K192-F194 PolarHBondContact O-N 3.37Å
193	T	33.5	Very low	39.6	Very low	147 Å²	147	139.9 Å²	139.9	90%	0.902	77%	0.768	S	S	*	*			trans	-57.2	127.1	159.8	46.7	0	0	0	0	111.4
194	F	37.1	Very low	38.9	Very low	185 Å²	185	145.1 Å²	145.1	81%	0.811	79%	0.788	S	S	*	*			trans	-92.5	115.3	167.4	177.3	-95.4	0	0	0	108.6	K192 M196	K192-F194 PolarHBondContact O-N 3.37Å; F194-M196 HydrophobicContact CE1-CB 4.39Å
195	D	54	Low	38.3	Very low	104 Å²	104	143.2 Å²	143.2	56%	0.556	78%	0.784	S	S	*	*			trans	-91.6	138	170.9	-162.9	-21.6	0	0	0	109.2	F197	D195-F197 PolarHBondContact OD1-N 3.07Å
196	M	52.1	Low	37.6	Very low	144 Å²	144	149.5 Å²	149.5	71%	0.709	80%	0.796	S	S	*	*	S	Bend	trans	-100	-2	-177.2	-167.7	167.4	61.2	0	0	112.3	F194	F194-M196 HydrophobicContact CE1-CB 4.39Å
197	F	44.4	Very low	36.9	Very low	171 Å²	171	149.3 Å²	149.3	75%	0.75	79%	0.794	S	S	*	*			trans	-118.3	13.4	-173	-65.8	-82.3	0	0	0	114.6	D195	D195-F197 PolarHBondContact OD1-N 3.07Å
198	S	51.1	Low	36.5	Very low	85 Å²	85	156 Å²	156	59%	0.594	81%	0.809	S	S	*	*			trans	-81.8	119.4	175.4	57.6	0	0	0	0	112.5	E200	S198-E200 PolarHBondContact O-N 2.72Å
199	E	36.8	Very low	36.4	Very low	199 Å²	199	153 Å²	153	93%	0.93	80%	0.801	S	S	*	*			trans	-77.8	75	177.9	-62.7	-175.8	156	0	0	112.7
200	E	43.3	Very low	36.1	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	79%	0.787	S	S	*	*			trans	-128.6	122	166.3	-69.8	-166.9	156.8	0	0	111.5	S198 V202	S198-E200 PolarHBondContact O-N 2.72Å; E200-V202 PolarHBondContact O-N 2.99Å
201	D	31.2	Very low	36	Very low	178 Å²	178	147.9 Å²	147.9	95%	0.952	79%	0.788	S	S	*	*			trans	-67.5	114.5	-177.7	-87	-50.5	0	0	0	112.7
202	V	35.6	Very low	35.8	Very low	132 Å²	132	153 Å²	153	80%	0.8	79%	0.785	S	S	*	*			trans	-124.4	121.5	168.6	-174.9	0	0	0	0	110.4	E200	E200-V202 PolarHBondContact O-N 2.99Å
203	T	32.5	Very low	35.4	Very low	131 Å²	131	152 Å²	152	80%	0.804	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.7	130.1	-170	44.7	0	0	0	0	113.4	P205	T203-P205 WeakPolarHBondContact O-CD 3.25Å
204	L	32.2	Very low	35.2	Very low	167 Å²	167	150.5 Å²	150.5	87%	0.874	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-68.9	122.2	179.1	-71.5	168.9	0	0	0	112.6
205	P	32.2	Very low	34.8	Very low	109 Å²	109	147.8 Å²	147.8	71%	0.708	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71	129.7	167.6	-15.3	31	0	0	0	110.6	T203 V207	T203-P205 WeakPolarHBondContact O-CD 3.25Å; P205-V207 PolarHBondContact O-N 3.23Å
206	K	28.2	Very low	34	Very low	216 Å²	216	147.1 Å²	147.1	94%	0.939	77%	0.765	S	S	*	*			trans	-70.4	110.2	170.8	-68.8	178.1	-179.6	175.7	0	109.7
207	V	30.7	Very low	33.2	Very low	109 Å²	109	143.5 Å²	143.5	66%	0.661	75%	0.754	S	S	*	*			trans	-126.5	119.8	169.1	-169.3	0	0	0	0	109.4	P205 I209	P205-V207 PolarHBondContact O-N 3.23Å; V207-I209 HydrophobicContact CB-CG1 4.36Å; V207-I209 HydrophobicContact CG1-CD1 4.19Å; V207-I209 HydrophobicContact CG1-CG1 3.7Å; V207-I209 PolarHBondContact O-N 3.01Å
208	Q	27.6	Very low	32.9	Very low	201 Å²	201	144.3 Å²	144.3	94%	0.939	76%	0.759	S	S	*	*			trans	-76.8	113.4	166.8	-65.1	161.6	-73.7	0	0	107.3
209	I	29.2	Very low	32.6	Very low	132 Å²	132	146.6 Å²	146.6	68%	0.677	76%	0.764	S	S	*	*			trans	-111.3	124.9	172.7	-57.7	-175.5	0	0	0	107.6	V207 Y212	V207-I209 HydrophobicContact CB-CG1 4.36Å; V207-I209 HydrophobicContact CG1-CD1 4.19Å; V207-I209 HydrophobicContact CG1-CG1 3.7Å; V207-I209 PolarHBondContact O-N 3.01Å; I209-Y212 HydrophobicContact CG2-CD2 4.07Å; I209-Y212 HydrophobicContact CG2-CE2 4.22Å
210	A	27.4	Very low	32.9	Very low	73 Å²	73	139.2 Å²	139.2	60%	0.603	74%	0.737	S	S	*	*			trans	-71.5	171	-176.6	0	0	0	0	0	112	Y212	A210-Y212 HydrophobicContact CB-CE2 4.46Å; A210-Y212 PolarHBondContact O-N 3.37Å
211	I	27.6	Very low	33.4	Very low	169 Å²	169	138 Å²	138	87%	0.867	74%	0.736	S	S	*	*			trans	-62.3	100.2	165.5	-58.1	166.7	0	0	0	107.3
212	Y	28.4	Very low	35.1	Very low	182 Å²	182	135.5 Å²	135.5	71%	0.714	72%	0.723	S	S	*	*			trans	-90.5	117.1	165.3	-82.4	-82.2	0	0	0	108.2	I209 A210 V214	I209-Y212 HydrophobicContact CG2-CD2 4.07Å; I209-Y212 HydrophobicContact CG2-CE2 4.22Å; A210-Y212 HydrophobicContact CB-CE2 4.46Å; A210-Y212 PolarHBondContact O-N 3.37Å; Y212-V214 PolarHBondContact O-N 3.48Å
213	E	27.8	Very low	37.1	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	70%	0.698	S	S	*	*			trans	-65.2	97.9	166.9	-64.1	176.3	139.4	0	0	107.6	D215	E213-D215 PolarHBondContact O-N 3.41Å
214	V	30.7	Very low	39.4	Very low	116 Å²	116	127.9 Å²	127.9	70%	0.703	67%	0.667	S	S	*	*			trans	-73.4	119	167.3	179.6	0	0	0	0	106.6	Y212 D216	Y212-V214 PolarHBondContact O-N 3.48Å; V214-D216 VanDerWaalsContact C-N 3.32Å; V214-D216 PolarHBondContact O-N 3.15Å
215	D	27.7	Very low	41.8	Very low	129 Å²	129	122.1 Å²	122.1	69%	0.69	64%	0.637	S	S	*	*			trans	-66.1	92.1	175.2	-173.3	-18.2	0	0	0	109.3	E213 S217	E213-D215 PolarHBondContact O-N 3.41Å; D215-S217 PolarHBondContact O-N 2.97Å; D215-S217 WeakPolarHBondContact OD1-CB 3.39Å; D215-S217 PolarHBondContact OD1-N 3.21Å; D215-S217 PolarHBondContact OD1-OG 2.73Å
216	D	36.7	Very low	44	Very low	89 Å²	89	121.4 Å²	121.4	48%	0.476	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-72.3	10.8	-173.2	-127.3	12.8	0	0	0	112.9	V214 H218 L219 A220	V214-D216 VanDerWaalsContact C-N 3.32Å; V214-D216 PolarHBondContact O-N 3.15Å; D216-H218 PolarHBondContact O-N 2.73Å; D216-L219 CarbonylContact O-C 3.49Å; D216-L219 PolarHBondContact O-N 2.95Å; D216-L219 WeakPolarHBondContact OD1-CD1 3.38Å; D216-A220 WeakPolarHBondContact O-CB 3.48Å; D216-A220 PolarHBondContact O-N 2.71Å
217	S	37.2	Very low	46.4	Very low	69 Å²	69	113.5 Å²	113.5	48%	0.483	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-58	-19.9	-174.8	48.9	0	0	0	0	115.3	D215	D215-S217 PolarHBondContact O-N 2.97Å; D215-S217 WeakPolarHBondContact OD1-CB 3.39Å; D215-S217 PolarHBondContact OD1-N 3.21Å; D215-S217 PolarHBondContact OD1-OG 2.73Å
218	H	37.7	Very low	48.9	Very low	187 Å²	187	108.8 Å²	108.8	87%	0.866	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-97.8	-6	172	-87.5	-67.5	0	0	0	115.2	D216	D216-H218 PolarHBondContact O-N 2.73Å
219	L	43.8	Very low	51.8	Low	133 Å²	133	99.5 Å²	99.5	70%	0.696	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-14.8	170.8	-71.9	170.9	0	0	0	112.5	D216 D221	D216-L219 CarbonylContact O-C 3.49Å; D216-L219 PolarHBondContact O-N 2.95Å; D216-L219 WeakPolarHBondContact OD1-CD1 3.38Å; L219-D221 VanDerWaalsContact C-N 3.3Å; L219-D221 PolarHBondContact O-N 2.73Å
220	A	43.2	Very low	54.7	Low	44 Å²	44	93.3 Å²	93.3	36%	0.364	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.9	-173.1	0	0	0	0	0	116.6	D216 W223	D216-A220 WeakPolarHBondContact O-CB 3.48Å; D216-A220 PolarHBondContact O-N 2.71Å; A220-W223 PolarHBondContact O-NE1 3.29Å
221	D	54.7	Low	57.6	Low	144 Å²	144	94.4 Å²	94.4	77%	0.77	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-18.8	-172.8	-103.5	-20.3	0	0	0	115	L219	L219-D221 VanDerWaalsContact C-N 3.3Å; L219-D221 PolarHBondContact O-N 2.73Å
222	N	67.3	Low	60.4	Low	126 Å²	126	86.7 Å²	86.7	67%	0.674	45%	0.449	S	S	*	.			trans	-113.9	61.1	-171.1	-156.4	91.4	0	0	0	113.4	D224	N222-D224 VanDerWaalsContact C-N 3.33Å; N222-D224 PolarHBondContact ND2-O 3Å; N222-D224 VanDerWaalsContact ND2-O 3.1Å
223	W	76.4	Confident	63.4	Low	75 Å²	75	85.9 Å²	85.9	28%	0.284	44%	0.444	S	S	.	.			trans	-76.5	-20.6	174	-59.7	93	0	0	0	114.4	A220 Y230 Q231 K315	A220-W223 PolarHBondContact O-NE1 3.29Å; W223-Y230 HydrophobicContact CB-CD2 4.23Å; W223-Y230 HydrophobicContact CB-CE2 3.73Å; W223-Y230 HydrophobicContact CE3-CE2 4.49Å; W223-Y230 HydrophobicContact CG-CE2 4.32Å; W223-Q231 VanDerWaalsContact O-CB 3.3Å; W223-Q231 WeakPolarHBondContact O-CB 2.95Å; W223-Q231 WeakPolarHBondContact O-CG 3.15Å; W223-Q231 PolarHBondContact O-N 2.88Å; W223-K315 HydrophobicContact CB-CD 4.39Å; W223-K315 HydrophobicContact CD2-CD 3.75Å; W223-K315 HydrophobicContact CE3-CD 4.21Å; W223-K315 HydrophobicContact CG-CD 3.81Å; W223-K315 VanDerWaalsContact CH2-NZ 3.35Å
224	D	80.8	Confident	66.5	Low	28 Å²	28	82.1 Å²	82.1	15%	0.15	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-87.5	145.7	-177.8	-55.2	24.6	0	0	0	108	N222 Y229 Q231 N276 H317	N222-D224 VanDerWaalsContact C-N 3.33Å; N222-D224 PolarHBondContact ND2-O 3Å; N222-D224 VanDerWaalsContact ND2-O 3.1Å; D224-Y229 CarbonylContact C-O 3.6Å; D224-Y229 WeakPolarHBondContact CA-O 3.01Å; D224-Q231 PolarHBondContact O-NE2 2.91Å; D224-N276 WeakPolarHBondContact OD2-CB 3.14Å; D224-N276 PolarHBondContact OD2-ND2 3.31Å; D224-H317 IonicContact OD1-NE2 3.52Å; D224-H317 PolarHBondContact OD1-NE2 2.81Å; D224-H317 IonicContact OD2-CE1 3.06Å; D224-H317 IonicContact OD2-NE2 2.7Å
225	D	82.7	Confident	69.3	Low	47 Å²	47	79.2 Å²	79.2	25%	0.251	42%	0.423	S	S	.	.			trans	-79.2	173.8	159.9	76.5	14.7	0	0	0	111.6	E227 G228 Y229 Q231	D225-E227 PolarHBondContact O-N 3.1Å; D225-E227 VanDerWaalsContact O-N 3.15Å; D225-E227 PolarHBondContact OD1-N 2.86Å; D225-G228 WeakPolarHBondContact O-CA 3.5Å; D225-G228 PolarHBondContact O-N 3.4Å; D225-G228 PolarHBondContact OD1-N 3.2Å; D225-Y229 PolarHBondContact N-O 3.03Å; D225-Y229 WeakPolarHBondContact OD1-CB 3.43Å; D225-Y229 PolarHBondContact OD1-N 2.63Å; D225-Y229 WeakPolarHBondContact OD2-CB 3.18Å; D225-Y229 WeakPolarHBondContact OD2-CD2 3.21Å; D225-Q231 HydrophobicContact CB-CG 4.4Å
226	V	78.9	Confident	72.5	Confident	93 Å²	93	74.6 Å²	74.6	56%	0.564	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.2	-176.1	-63.4	0	0	0	0	114.4	L177	L177-V226 HydrophobicContact CD1-CB 3.81Å; L177-V226 HydrophobicContact CD1-CG1 4.01Å; L177-V226 HydrophobicContact CD1-CG2 3.56Å; L177-V226 HydrophobicContact CD2-CG1 4.16Å
227	E	78.2	Confident	75.2	Confident	50 Å²	50	74.4 Å²	74.4	23%	0.234	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7	174.5	-44.7	-176.4	149.7	0	0	111.9	D225 Y229 R275	D225-E227 PolarHBondContact O-N 3.1Å; D225-E227 VanDerWaalsContact O-N 3.15Å; D225-E227 PolarHBondContact OD1-N 2.86Å; E227-Y229 HydrophobicContact CB-CD2 4.21Å; E227-Y229 HydrophobicContact CB-CE2 4.43Å; E227-Y229 VanDerWaalsContact OE2-CE2 3.22Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.44Å; E227-R275 VanDerWaalsContact CB-CZ 3.49Å; E227-R275 VanDerWaalsContact O-CD 3.27Å; E227-R275 WeakPolarHBondContact O-CD 3.29Å; E227-R275 VanDerWaalsContact O-CZ 3.24Å; E227-R275 PolarHBondContact O-NE 2.87Å; E227-R275 VanDerWaalsContact O-NE 3.16Å; E227-R275 PolarHBondContact O-NH1 3.02Å; E227-R275 IonicContact OE2-CZ 3.37Å; E227-R275 IonicContact OE2-NH2 2.73Å; E227-R275 PolarHBondContact OE2-NH2 3.14Å
228	G	83.7	Confident	77.9	Confident	11 Å²	11	71.1 Å²	71.1	11%	0.113	37%	0.373	C	S	.	.	S	Bend	trans	78.3	18.9	-179.3	0	0	0	0	0	114.6	D225 R275 N276 H317	D225-G228 WeakPolarHBondContact O-CA 3.5Å; D225-G228 PolarHBondContact O-N 3.4Å; D225-G228 PolarHBondContact OD1-N 3.2Å; G228-R275 CarbonylContact O-C 3.56Å; G228-R275 WeakPolarHBondContact O-CA 3.42Å; G228-R275 WeakPolarHBondContact O-CB 3.26Å; G228-N276 PolarHBondContact O-N 2.75Å; G228-H317 PolarHBondContact O-CE1 3.42Å
229	Y	87.4	Confident	80.6	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.02	34%	0.343	C	S	.	.			trans	-78.2	140.3	170.5	-68.7	-76.7	0	0	0	111.5	D224 D225 E227 Q231 Q250 G251 R275	D224-Y229 CarbonylContact C-O 3.6Å; D224-Y229 WeakPolarHBondContact CA-O 3.01Å; D225-Y229 PolarHBondContact N-O 3.03Å; D225-Y229 WeakPolarHBondContact OD1-CB 3.43Å; D225-Y229 PolarHBondContact OD1-N 2.63Å; D225-Y229 WeakPolarHBondContact OD2-CB 3.18Å; D225-Y229 WeakPolarHBondContact OD2-CD2 3.21Å; E227-Y229 HydrophobicContact CB-CD2 4.21Å; E227-Y229 HydrophobicContact CB-CE2 4.43Å; E227-Y229 VanDerWaalsContact OE2-CE2 3.22Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.44Å; Y229-Q231 PolarHBondContact O-N 3.43Å; Y229-Q250 HydrophobicContact CD1-CG 4.42Å; Y229-Q250 HydrophobicContact CE1-CG 3.8Å; Y229-Q250 HydrophobicContact CE2-CG 4.11Å; Y229-G251 WeakPolarHBondContact CE1-O 3.21Å; Y229-G251 PolarHBondContact OH-O 3.46Å; Y229-R275 HydrophobicContact CD1-CG 3.62Å; Y229-R275 HydrophobicContact CE1-CG 3.92Å; Y229-R275 HydrophobicContact CG-CG 4.02Å; Y229-R275 VanDerWaalsContact CZ-NE 3.33Å
230	Y	90.3	Very high	82.9	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.008	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-73	124.9	172.2	-171.7	-116.2	0	0	0	112	W223 T232 E236 L238 N255 I273 H314 K315 H317	W223-Y230 HydrophobicContact CB-CD2 4.23Å; W223-Y230 HydrophobicContact CB-CE2 3.73Å; W223-Y230 HydrophobicContact CE3-CE2 4.49Å; W223-Y230 HydrophobicContact CG-CE2 4.32Å; Y230-T232 VanDerWaalsContact C-N 3.31Å; Y230-T232 HydrophobicContact CD1-CG2 3.43Å; Y230-T232 VanDerWaalsContact CD1-CG2 3.43Å; Y230-T232 HydrophobicContact CE1-CG2 3.65Å; Y230-T232 PolarHBondContact O-N 2.96Å; Y230-E236 WeakPolarHBondContact CE1-OE2 3.46Å; Y230-E236 PolarHBondContact OH-OE1 3.15Å; Y230-E236 PolarHBondContact OH-OE2 3.26Å; Y230-L238 HydrophobicContact CE1-CD2 4.38Å; Y230-N255 PolarHBondContact O-ND2 2.79Å; Y230-I273 HydrophobicContact CD1-CD1 4.03Å; Y230-I273 HydrophobicContact CD1-CG2 4.24Å; Y230-I273 HydrophobicContact CG-CG2 4.22Å; Y230-H314 AromaticContact CE1-CD2 3.85Å; Y230-H314 AromaticContact CZ-CD2 3.75Å; Y230-H314 AromaticContact CZ-NE2 3.79Å; Y230-H314 PolarHBondContact OH-NE2 3.3Å; Y230-K315 HydrophobicContact CE2-CB 4.15Å; Y230-K315 HydrophobicContact CE2-CD 3.49Å; Y230-K315 VanDerWaalsContact CE2-CD 3.49Å; Y230-K315 HydrophobicContact CE2-CG 4.44Å; Y230-K315 WeakPolarHBondContact OH-CD 3.25Å; Y230-K315 PolarHBondContact OH-NZ 3.16Å; Y230-H317 WeakPolarHBondContact CB-NE2 3Å; Y230-H317 AromaticContact CD2-CD2 3.46Å; Y230-H317 VanDerWaalsContact CD2-CD2 3.46Å; Y230-H317 WeakPolarHBondContact CD2-CD2 3.45Å; Y230-H317 AromaticContact CD2-NE2 3.44Å; Y230-H317 WeakPolarHBondContact CD2-NE2 3.48Å; Y230-H317 AromaticContact CG-CD2 3.72Å; Y230-H317 AromaticContact CG-NE2 3.8Å; Y230-H317 PolarHBondContact N-CE1 3.25Å
231	Q	87.5	Confident	85.3	Confident	96 Å²	96	64.9 Å²	64.9	45%	0.449	33%	0.334	S	S	.	.			trans	-82.1	67.8	178.1	-59.8	-176.4	36.7	0	0	112.4	W223 D224 D225 Y229 R233	W223-Q231 VanDerWaalsContact O-CB 3.3Å; W223-Q231 WeakPolarHBondContact O-CB 2.95Å; W223-Q231 WeakPolarHBondContact O-CG 3.15Å; W223-Q231 PolarHBondContact O-N 2.88Å; D224-Q231 PolarHBondContact O-NE2 2.91Å; D225-Q231 HydrophobicContact CB-CG 4.4Å; Y229-Q231 PolarHBondContact O-N 3.43Å; Q231-R233 PolarHBondContact O-N 3.43Å
232	T	88.1	Confident	87.3	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.043	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-54	134.7	173.9	48.8	0	0	0	0	112.2	Y230 Y247 V257 I273	Y230-T232 VanDerWaalsContact C-N 3.31Å; Y230-T232 HydrophobicContact CD1-CG2 3.43Å; Y230-T232 VanDerWaalsContact CD1-CG2 3.43Å; Y230-T232 HydrophobicContact CE1-CG2 3.65Å; Y230-T232 PolarHBondContact O-N 2.96Å; T232-Y247 PolarHBondContact O-OH 3.02Å; T232-Y247 WeakPolarHBondContact OG1-CE1 3.29Å; T232-V257 HydrophobicContact CG2-CG1 3.95Å; T232-V257 HydrophobicContact CG2-CG2 4.44Å; T232-I273 HydrophobicContact CG2-CD1 3.31Å
233	R	90.6	Very high	88.7	Confident	165 Å²	165	53.3 Å²	53.3	62%	0.623	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-102.7	142.6	171.6	-57.8	-178.2	-176	174.2	3.6	110.7	Q231 G235 E236	Q231-R233 PolarHBondContact O-N 3.43Å; R233-G235 PolarHBondContact O-N 3.05Å; R233-E236 VanDerWaalsContact O-CB 3.26Å; R233-E236 WeakPolarHBondContact O-CB 3.46Å; R233-E236 PolarHBondContact O-N 3.27Å
234	I	92.1	Very high	89.6	Confident	108 Å²	108	49.9 Å²	49.9	55%	0.554	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	132.7	168.3	-63.4	178.2	0	0	0	108.2	Y247	I234-Y247 HydrophobicContact CD1-CD2 4.28Å; I234-Y247 HydrophobicContact CD1-CE2 3.74Å; I234-Y247 HydrophobicContact CG1-CD2 4.42Å; I234-Y247 HydrophobicContact CG1-CE2 3.65Å
235	G	91.2	Very high	90.3	Very high	56 Å²	56	53 Å²	53	58%	0.577	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-10	-171.8	0	0	0	0	0	114.8	R233 V244	R233-G235 PolarHBondContact O-N 3.05Å; G235-V244 PolarHBondContact N-O 3.42Å
236	E	93.5	Very high	90.7	Very high	32 Å²	32	51.4 Å²	51.4	15%	0.15	27%	0.268	C	S	.	.			trans	-65.5	139.1	173	-172.4	173.1	-167.4	0	0	110.8	Y230 R233 L238 V244 H314 K315	Y230-E236 WeakPolarHBondContact CE1-OE2 3.46Å; Y230-E236 PolarHBondContact OH-OE1 3.15Å; Y230-E236 PolarHBondContact OH-OE2 3.26Å; R233-E236 VanDerWaalsContact O-CB 3.26Å; R233-E236 WeakPolarHBondContact O-CB 3.46Å; R233-E236 PolarHBondContact O-N 3.27Å; E236-L238 HydrophobicContact CG-CD2 4.02Å; E236-V244 PolarHBondContact O-N 2.84Å; E236-H314 IonicContact OE1-CE1 2.7Å; E236-H314 IonicContact OE1-NE2 2.61Å; E236-H314 PolarHBondContact OE1-NE2 2.79Å; E236-K315 IonicContact OE1-NZ 3.87Å; E236-K315 PolarHBondContact OE1-NZ 3.28Å
237	I	94	Very high	91.1	Very high	85 Å²	85	53 Å²	53	44%	0.436	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.2	174.8	-55.9	178.3	0	0	0	108.7	R241 Y242 A243 L262	I237-R241 VanDerWaalsContact CG2-N 3.32Å; I237-Y242 WeakPolarHBondContact CA-O 3.36Å; I237-A243 HydrophobicContact CG1-CB 4.35Å; I237-L262 HydrophobicContact CD1-CD1 4.2Å; I237-L262 HydrophobicContact CG2-CD1 4.38Å
238	L	93.9	Very high	91.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.3	175.6	-47.7	175.4	0	0	0	110	Y230 E236 H240 R241 Y242 V244 V257 V271 I273 F312 H314	Y230-L238 HydrophobicContact CE1-CD2 4.38Å; E236-L238 HydrophobicContact CG-CD2 4.02Å; L238-H240 PolarHBondContact O-N 3.04Å; L238-R241 PolarHBondContact O-N 3.08Å; L238-Y242 PolarHBondContact N-O 3Å; L238-Y242 PolarHBondContact O-N 3.37Å; L238-V244 HydrophobicContact CD1-CG2 3.76Å; L238-V244 HydrophobicContact CG-CG2 3.88Å; L238-V257 HydrophobicContact CD1-CG2 4.47Å; L238-V271 HydrophobicContact CD1-CG1 4.21Å; L238-I273 HydrophobicContact CD1-CD1 3.83Å; L238-F312 HydrophobicContact CB-CE2 3.87Å; L238-F312 HydrophobicContact CB-CZ 3.67Å; L238-F312 HydrophobicContact CD1-CZ 4.33Å; L238-H314 WeakPolarHBondContact CD2-NE2 3.48Å
239	D	94.5	Very high	90.7	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.241	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	26.3	178.1	-159.3	46.4	0	0	0	114.1	R241 Y242 R310 F312	D239-R241 HydrophobicContact CB-CB 4.44Å; D239-R241 VanDerWaalsContact O-CB 3.22Å; D239-R241 WeakPolarHBondContact O-CB 3.36Å; D239-R241 PolarHBondContact O-N 2.86Å; D239-Y242 HydrophobicContact CB-CD2 3.76Å; D239-Y242 HydrophobicContact CB-CE2 3.79Å; D239-R310 IonicContact OD2-CZ 2.68Å; D239-R310 VanDerWaalsContact OD2-CZ 3.31Å; D239-R310 IonicContact OD2-NH1 2.94Å; D239-R310 PolarHBondContact OD2-NH1 3.44Å; D239-R310 IonicContact OD2-NH2 3.25Å; D239-R310 PolarHBondContact OD2-NH2 3.17Å; D239-F312 HydrophobicContact CB-CB 4.38Å; D239-F312 HydrophobicContact CB-CD1 3.88Å; D239-F312 HydrophobicContact CB-CD2 3.74Å; D239-F312 HydrophobicContact CB-CE1 3.99Å; D239-F312 HydrophobicContact CB-CE2 3.87Å; D239-F312 HydrophobicContact CB-CG 3.76Å; D239-F312 HydrophobicContact CB-CZ 3.99Å; D239-F312 WeakPolarHBondContact OD1-CB 3.11Å
240	H	91.9	Very high	90	Very high	186 Å²	186	60.8 Å²	60.8	86%	0.861	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	21.7	-169.9	-53.5	-76.8	0	0	0	114.7	L238	L238-H240 PolarHBondContact O-N 3.04Å
241	R	94.5	Very high	89	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.008	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-35.5	-162.9	176.7	175	178.2	151.7	4.6	115.1	D63 I237 L238 D239 D261 L262 K263	D63-R241 VanDerWaalsContact CG-NH1 3.29Å; D63-R241 IonicContact OD1-CZ 3.76Å; D63-R241 VanDerWaalsContact OD1-CZ 3.25Å; D63-R241 IonicContact OD1-NH1 3.44Å; D63-R241 PolarHBondContact OD1-NH1 3.26Å; D63-R241 IonicContact OD1-NH2 2.76Å; D63-R241 PolarHBondContact OD1-NH2 3.4Å; D63-R241 IonicContact OD2-CZ 2.66Å; D63-R241 IonicContact OD2-NH1 3.18Å; D63-R241 PolarHBondContact OD2-NH1 2.98Å; D63-R241 IonicContact OD2-NH2 2.99Å; I237-R241 VanDerWaalsContact CG2-N 3.32Å; L238-R241 PolarHBondContact O-N 3.08Å; D239-R241 HydrophobicContact CB-CB 4.44Å; D239-R241 VanDerWaalsContact O-CB 3.22Å; D239-R241 WeakPolarHBondContact O-CB 3.36Å; D239-R241 PolarHBondContact O-N 2.86Å; R241-D261 WeakPolarHBondContact CG-OD1 3.36Å; R241-D261 IonicContact CZ-OD1 2.66Å; R241-D261 IonicContact CZ-OD2 3.65Å; R241-D261 IonicContact NE-OD1 2.68Å; R241-D261 PolarHBondContact NE-OD1 3.12Å; R241-D261 IonicContact NE-OD2 2.77Å; R241-D261 IonicContact NH2-OD1 3.4Å; R241-D261 PolarHBondContact NH2-OD1 3.41Å; R241-D261 IonicContact NH2-OD2 3.37Å; R241-D261 PolarHBondContact NH2-OD2 3.15Å; R241-L262 WeakPolarHBondContact O-CB 3.44Å; R241-L262 WeakPolarHBondContact O-CG 3.13Å; R241-L262 PolarHBondContact O-N 3.31Å; R241-K263 HydrophobicContact CG-CB 4.3Å; R241-K263 HydrophobicContact CG-CD 4.43Å; R241-K263 HydrophobicContact CG-CG 4.04Å
242	Y	96.5	Very high	88.4	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	98.3	-171.6	-53.5	-71.7	0	0	0	110.6	I237 L238 D239 V244 R260 D261 V269 R310 F312 V321	I237-Y242 WeakPolarHBondContact CA-O 3.36Å; L238-Y242 PolarHBondContact N-O 3Å; L238-Y242 PolarHBondContact O-N 3.37Å; D239-Y242 HydrophobicContact CB-CD2 3.76Å; D239-Y242 HydrophobicContact CB-CE2 3.79Å; Y242-V244 PolarHBondContact O-N 2.85Å; Y242-R260 WeakPolarHBondContact CA-O 3.44Å; Y242-D261 HydrophobicContact CD1-CB 4.15Å; Y242-D261 HydrophobicContact CE1-CB 4.1Å; Y242-V269 HydrophobicContact CD1-CG2 3.79Å; Y242-V269 HydrophobicContact CE1-CG2 4.26Å; Y242-R310 WeakPolarHBondContact OH-CD 3.49Å; Y242-R310 WeakPolarHBondContact OH-CG 3.3Å; Y242-R310 PolarHBondContact OH-NH1 3.43Å; Y242-F312 HydrophobicContact CD2-CD1 4.34Å; Y242-F312 AromaticContact CD2-CE1 3.56Å; Y242-F312 HydrophobicContact CD2-CE1 3.56Å; Y242-F312 AromaticContact CD2-CZ 3.97Å; Y242-F312 HydrophobicContact CD2-CZ 3.97Å; Y242-F312 AromaticContact CE2-CD1 3.87Å; Y242-F312 HydrophobicContact CE2-CD1 3.87Å; Y242-F312 AromaticContact CE2-CE1 3.49Å; Y242-F312 HydrophobicContact CE2-CE1 3.49Å; Y242-F312 VanDerWaalsContact CE2-CE1 3.49Å; Y242-F312 HydrophobicContact CE2-CZ 4.33Å; Y242-V321 HydrophobicContact CD2-CG2 4.44Å; Y242-V321 HydrophobicContact CE1-CG1 3.91Å; Y242-V321 HydrophobicContact CE1-CG2 4.35Å; Y242-V321 HydrophobicContact CE2-CG2 3.77Å
243	A	96.1	Very high	87.9	Confident	25 Å²	25	58.2 Å²	58.2	21%	0.207	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	111.6	177.4	0	0	0	0	0	110.5	I237 Y245 A259 R260 L262	I237-A243 HydrophobicContact CG1-CB 4.35Å; A243-Y245 PolarHBondContact O-N 2.91Å; A243-A259 CarbonylContact O-C 3.53Å; A243-A259 WeakPolarHBondContact O-CA 3.49Å; A243-A259 WeakPolarHBondContact O-CB 3.46Å; A243-R260 PolarHBondContact N-O 3.38Å; A243-R260 PolarHBondContact O-N 3.07Å; A243-L262 HydrophobicContact CB-CD1 4.21Å; A243-L262 HydrophobicContact CB-CD2 4.21Å; A243-L262 HydrophobicContact CB-CG 4.26Å
244	V	95.9	Very high	87.7	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.7	179.9	177.5	0	0	0	0	110	G235 E236 L238 Y242 V257 A259	G235-V244 PolarHBondContact N-O 3.42Å; E236-V244 PolarHBondContact O-N 2.84Å; L238-V244 HydrophobicContact CD1-CG2 3.76Å; L238-V244 HydrophobicContact CG-CG2 3.88Å; Y242-V244 PolarHBondContact O-N 2.85Å; V244-V257 HydrophobicContact CG1-CB 4.03Å; V244-V257 HydrophobicContact CG1-CG1 4.36Å; V244-V257 HydrophobicContact CG1-CG2 4.28Å; V244-V257 HydrophobicContact CG2-CG2 4.07Å; V244-A259 HydrophobicContact CG2-CB 4.42Å
245	Y	94.2	Very high	87.6	Confident	94 Å²	94	46.3 Å²	46.3	37%	0.369	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-4.2	-178	72.5	-93.9	0	0	0	114.4	A243 R258 R260	A243-Y245 PolarHBondContact O-N 2.91Å; Y245-R258 HydrophobicContact CD1-CB 4.37Å; Y245-R258 WeakPolarHBondContact CD1-O 3.47Å; Y245-R258 HydrophobicContact CE1-CB 3.8Å; Y245-R258 HydrophobicContact CE2-CB 3.98Å; Y245-R258 PolarHBondContact N-O 2.87Å; Y245-R260 HydrophobicContact CD1-CG 3.8Å; Y245-R260 HydrophobicContact CE1-CG 3.83Å
246	G	91.4	Very high	87.7	Confident	14 Å²	14	45.5 Å²	45.5	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	167.7	174.3	0	0	0	0	0	113.4	R258	G246-R258 PolarHBondContact N-O 3.06Å; G246-R258 PolarHBondContact O-N 2.93Å
247	Y	87.8	Confident	87.7	Confident	127 Å²	127	44 Å²	44	50%	0.498	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	147.1	176.9	-54.1	-91	0	0	0	110.1	T232 I234 V257	T232-Y247 PolarHBondContact O-OH 3.02Å; T232-Y247 WeakPolarHBondContact OG1-CE1 3.29Å; I234-Y247 HydrophobicContact CD1-CD2 4.28Å; I234-Y247 HydrophobicContact CD1-CE2 3.74Å; I234-Y247 HydrophobicContact CG1-CD2 4.42Å; I234-Y247 HydrophobicContact CG1-CE2 3.65Å; Y247-V257 HydrophobicContact CD1-CG1 3.97Å; Y247-V257 HydrophobicContact CE1-CG1 4.38Å
248	T	82	Confident	87.8	Confident	66 Å²	66	42.9 Å²	42.9	41%	0.405	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-42.3	165	-58.8	0	0	0	0	110.6	V256 R258	T248-V256 WeakPolarHBondContact CB-O 3.43Å; T248-V256 PolarHBondContact N-O 2.83Å; T248-R258 WeakPolarHBondContact OG1-CG 3.44Å; T248-R258 PolarHBondContact OG1-NE 2.99Å
249	G	71.8	Confident	87.9	Confident	38 Å²	38	42.9 Å²	42.9	39%	0.392	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	163.4	175.2	0	0	0	0	0	113.5	V256	G249-V256 PolarHBondContact N-O 2.87Å; G249-V256 PolarHBondContact O-N 3.1Å
250	Q	71.7	Confident	88	Confident	124 Å²	124	46.3 Å²	46.3	58%	0.579	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.7	169.8	177.6	171.2	32.2	0	0	108	Y229 N255	Y229-Q250 HydrophobicContact CD1-CG 4.42Å; Y229-Q250 HydrophobicContact CE1-CG 3.8Å; Y229-Q250 HydrophobicContact CE2-CG 4.11Å; Q250-N255 WeakPolarHBondContact CB-OD1 3.28Å; Q250-N255 VanDerWaalsContact CG-OD1 3.31Å; Q250-N255 WeakPolarHBondContact CG-OD1 3.43Å
251	G	70.8	Confident	88.2	Confident	35 Å²	35	37.5 Å²	37.5	36%	0.361	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.5	176.7	0	0	0	0	0	111.4	Y229 F253 G254	Y229-G251 WeakPolarHBondContact CE1-O 3.21Å; Y229-G251 PolarHBondContact OH-O 3.46Å; G251-F253 PolarHBondContact O-N 2.9Å; G251-G254 PolarHBondContact N-O 3.04Å; G251-G254 VanDerWaalsContact N-O 3.12Å; G251-G254 PolarHBondContact O-N 3.46Å
252	V	74.9	Confident	88.1	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.055	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-33.8	-169.9	-178.4	0	0	0	0	115.4	F144 M148 K151 M280	F144-V252 HydrophobicContact CE2-CG2 4.2Å; M148-V252 HydrophobicContact CB-CG1 4.01Å; M148-V252 HydrophobicContact CE-CG1 4.16Å; M148-V252 HydrophobicContact CG-CG1 3.81Å; K151-V252 HydrophobicContact CB-CG1 4.47Å; K151-V252 HydrophobicContact CD-CB 4Å; K151-V252 HydrophobicContact CD-CG1 4.46Å; K151-V252 HydrophobicContact CD-CG2 4.08Å; V252-M280 HydrophobicContact CG1-CE 4.2Å
253	F	77.6	Confident	87.8	Confident	7 Å²	7	47 Å²	47	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.1	-179.2	-56.8	-47.2	0	0	0	115	K151 I155 G251 I274 R275 M280 T283 D389	K151-F253 HydrophobicContact CB-CZ 4.42Å; K151-F253 HydrophobicContact CD-CE1 4.44Å; K151-F253 HydrophobicContact CD-CE2 3.99Å; K151-F253 HydrophobicContact CD-CZ 3.86Å; I155-F253 HydrophobicContact CD1-CE1 4.07Å; I155-F253 HydrophobicContact CD1-CZ 4.34Å; G251-F253 PolarHBondContact O-N 2.9Å; F253-I274 WeakPolarHBondContact O-CA 3.4Å; F253-R275 PolarHBondContact O-N 3.39Å; F253-M280 HydrophobicContact CD1-SD 3.8Å; F253-T283 HydrophobicContact CD1-CG2 4.32Å; F253-T283 HydrophobicContact CE1-CG2 4.06Å; F253-T283 HydrophobicContact CZ-CG2 4.41Å; F253-D389 WeakPolarHBondContact CD2-OD1 3.48Å
254	G	85.7	Confident	87.3	Confident	4 Å²	4	46.8 Å²	46.8	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.2	-178.2	-171	0	0	0	0	0	115	G251 I273	G251-G254 PolarHBondContact N-O 3.04Å; G251-G254 VanDerWaalsContact N-O 3.12Å; G251-G254 PolarHBondContact O-N 3.46Å; G254-I273 CarbonylContact C-O 3.38Å; G254-I273 WeakPolarHBondContact CA-O 3.36Å
255	N	90.1	Very high	86.8	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.2	-179.1	-73	-24.1	0	0	0	111.3	Y230 Q250 I273	Y230-N255 PolarHBondContact O-ND2 2.79Å; Q250-N255 WeakPolarHBondContact CB-OD1 3.28Å; Q250-N255 VanDerWaalsContact CG-OD1 3.31Å; Q250-N255 WeakPolarHBondContact CG-OD1 3.43Å; N255-I273 PolarHBondContact N-O 3.4Å; N255-I273 PolarHBondContact O-N 2.97Å
256	V	92.3	Very high	86.4	Confident	39 Å²	39	53.9 Å²	53.9	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.7	172.8	-175.9	0	0	0	0	109.8	T248 G249 A270 V271 K272	T248-V256 WeakPolarHBondContact CB-O 3.43Å; T248-V256 PolarHBondContact N-O 2.83Å; G249-V256 PolarHBondContact N-O 2.87Å; G249-V256 PolarHBondContact O-N 3.1Å; V256-A270 HydrophobicContact CG1-CB 4.33Å; V256-V271 WeakPolarHBondContact CA-O 3.26Å; V256-K272 HydrophobicContact CG2-CB 4.24Å; V256-K272 HydrophobicContact CG2-CG 4.04Å
257	V	94.5	Very high	86.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	155.3	177.8	-62.9	0	0	0	0	112	T232 L238 V244 Y247 A270 V271 I273	T232-V257 HydrophobicContact CG2-CG1 3.95Å; T232-V257 HydrophobicContact CG2-CG2 4.44Å; L238-V257 HydrophobicContact CD1-CG2 4.47Å; V244-V257 HydrophobicContact CG1-CB 4.03Å; V244-V257 HydrophobicContact CG1-CG1 4.36Å; V244-V257 HydrophobicContact CG1-CG2 4.28Å; V244-V257 HydrophobicContact CG2-CG2 4.07Å; Y247-V257 HydrophobicContact CD1-CG1 3.97Å; Y247-V257 HydrophobicContact CE1-CG1 4.38Å; V257-A270 WeakPolarHBondContact O-CA 3.38Å; V257-V271 HydrophobicContact CG2-CB 3.99Å; V257-V271 PolarHBondContact N-O 2.93Å; V257-V271 PolarHBondContact O-N 3.04Å; V257-I273 HydrophobicContact CG2-CD1 4.15Å
258	R	95	Very high	86.8	Confident	63 Å²	63	51.6 Å²	51.6	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.5	172.2	-54.6	-170.8	175.9	-149.5	-8.9	108.5	Y245 G246 T248 G326	Y245-R258 HydrophobicContact CD1-CB 4.37Å; Y245-R258 WeakPolarHBondContact CD1-O 3.47Å; Y245-R258 HydrophobicContact CE1-CB 3.8Å; Y245-R258 HydrophobicContact CE2-CB 3.98Å; Y245-R258 PolarHBondContact N-O 2.87Å; G246-R258 PolarHBondContact N-O 3.06Å; G246-R258 PolarHBondContact O-N 2.93Å; T248-R258 WeakPolarHBondContact OG1-CG 3.44Å; T248-R258 PolarHBondContact OG1-NE 2.99Å; R258-G326 PolarHBondContact NH2-O 3.45Å
259	A	96.4	Very high	87.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.4	-179.2	0	0	0	0	0	111.6	A243 V244 V269 V271	A243-A259 CarbonylContact O-C 3.53Å; A243-A259 WeakPolarHBondContact O-CA 3.49Å; A243-A259 WeakPolarHBondContact O-CB 3.46Å; V244-A259 HydrophobicContact CG2-CB 4.42Å; A259-V269 HydrophobicContact CB-CG2 4.11Å; A259-V269 PolarHBondContact N-O 3.05Å; A259-V269 WeakPolarHBondContact O-CG2 3.48Å; A259-V269 PolarHBondContact O-N 3.39Å; A259-V271 HydrophobicContact CB-CG2 4.11Å
260	R	96.6	Very high	88.6	Confident	117 Å²	117	47.3 Å²	47.3	44%	0.442	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.1	172.6	-71.8	178.7	177.6	-84.5	7.6	110.3	Y242 A243 Y245 L262 S266 E267	Y242-R260 WeakPolarHBondContact CA-O 3.44Å; A243-R260 PolarHBondContact N-O 3.38Å; A243-R260 PolarHBondContact O-N 3.07Å; Y245-R260 HydrophobicContact CD1-CG 3.8Å; Y245-R260 HydrophobicContact CE1-CG 3.83Å; R260-L262 PolarHBondContact O-N 3.36Å; R260-S266 WeakPolarHBondContact CG-O 3.46Å; R260-S266 PolarHBondContact NH1-O 3.21Å; R260-E267 WeakPolarHBondContact CA-O 3.32Å
261	D	95.9	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	97.8	175.8	-175.4	-7.3	0	0	0	110.4	R241 Y242 K263 R264 S266 E267 V269	R241-D261 WeakPolarHBondContact CG-OD1 3.36Å; R241-D261 IonicContact CZ-OD1 2.66Å; R241-D261 IonicContact CZ-OD2 3.65Å; R241-D261 IonicContact NE-OD1 2.68Å; R241-D261 PolarHBondContact NE-OD1 3.12Å; R241-D261 IonicContact NE-OD2 2.77Å; R241-D261 IonicContact NH2-OD1 3.4Å; R241-D261 PolarHBondContact NH2-OD1 3.41Å; R241-D261 IonicContact NH2-OD2 3.37Å; R241-D261 PolarHBondContact NH2-OD2 3.15Å; Y242-D261 HydrophobicContact CD1-CB 4.15Å; Y242-D261 HydrophobicContact CE1-CB 4.1Å; D261-K263 VanDerWaalsContact C-N 3.27Å; D261-K263 PolarHBondContact O-N 3.26Å; D261-K263 PolarHBondContact OD1-N 3.14Å; D261-R264 HydrophobicContact CB-CB 4.47Å; D261-R264 CarbonylContact O-C 3.58Å; D261-R264 VanDerWaalsContact O-C 3.26Å; D261-R264 PolarHBondContact O-N 3.1Å; D261-R264 VanDerWaalsContact O-N 3.08Å; D261-R264 PolarHBondContact OD1-N 3.12Å; D261-R264 IonicContact OD2-NE 3.64Å; D261-S266 VanDerWaalsContact O-CA 3.25Å; D261-S266 WeakPolarHBondContact O-CA 3.39Å; D261-S266 PolarHBondContact O-N 2.87Å; D261-E267 PolarHBondContact N-O 2.79Å; D261-V269 HydrophobicContact CB-CG1 4.38Å
262	L	93.2	Very high	90.8	Very high	84 Å²	84	40.5 Å²	40.5	44%	0.44	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.6	-177.7	-60.5	178.3	0	0	0	112.5	I237 R241 A243 R260 R264	I237-L262 HydrophobicContact CD1-CD1 4.2Å; I237-L262 HydrophobicContact CG2-CD1 4.38Å; R241-L262 WeakPolarHBondContact O-CB 3.44Å; R241-L262 WeakPolarHBondContact O-CG 3.13Å; R241-L262 PolarHBondContact O-N 3.31Å; A243-L262 HydrophobicContact CB-CD1 4.21Å; A243-L262 HydrophobicContact CB-CD2 4.21Å; A243-L262 HydrophobicContact CB-CG 4.26Å; R260-L262 PolarHBondContact O-N 3.36Å; L262-R264 VanDerWaalsContact C-N 3.34Å
263	K	90.1	Very high	91.8	Very high	117 Å²	117	40.1 Å²	40.1	51%	0.509	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.7	173.7	-72.3	-166.4	-176.6	-172.2	0	111.9	E59 R241 D261	E59-K263 IonicContact OE2-NZ 2.78Å; E59-K263 PolarHBondContact OE2-NZ 2.99Å; R241-K263 HydrophobicContact CG-CB 4.3Å; R241-K263 HydrophobicContact CG-CD 4.43Å; R241-K263 HydrophobicContact CG-CG 4.04Å; D261-K263 VanDerWaalsContact C-N 3.27Å; D261-K263 PolarHBondContact O-N 3.26Å; D261-K263 PolarHBondContact OD1-N 3.14Å
264	R	85.3	Confident	92.6	Very high	22 Å²	22	39.9 Å²	39.9	8%	0.083	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	75	-179.6	-58.2	-160	-135.4	136.5	8.4	113.2	D63 I66 D261 L262 S266 E267	D63-R264 IonicContact OD1-CZ 3.11Å; D63-R264 IonicContact OD1-NE 3.11Å; D63-R264 PolarHBondContact OD1-NE 2.92Å; D63-R264 IonicContact OD1-NH2 2.68Å; D63-R264 PolarHBondContact OD1-NH2 3.5Å; I66-R264 VanDerWaalsContact CD1-NH2 3.3Å; D261-R264 HydrophobicContact CB-CB 4.47Å; D261-R264 CarbonylContact O-C 3.58Å; D261-R264 VanDerWaalsContact O-C 3.26Å; D261-R264 PolarHBondContact O-N 3.1Å; D261-R264 VanDerWaalsContact O-N 3.08Å; D261-R264 PolarHBondContact OD1-N 3.12Å; D261-R264 IonicContact OD2-NE 3.64Å; L262-R264 VanDerWaalsContact C-N 3.34Å; R264-S266 PolarHBondContact O-N 2.98Å; R264-E267 WeakPolarHBondContact O-CB 3.38Å; R264-E267 PolarHBondContact O-N 2.89Å; R264-E267 VanDerWaalsContact O-N 3.09Å
265	K	86.3	Confident	92.8	Very high	199 Å²	199	40 Å²	40	87%	0.865	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	25.3	167.8	-58.5	175	-179.3	167.9	0	114.5	E267	K265-E267 PolarHBondContact O-N 2.84Å
266	S	86.1	Confident	92.7	Very high	47 Å²	47	42.2 Å²	42.2	33%	0.329	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	31.4	-177.5	-58.5	0	0	0	0	114.2	R260 D261 R264	R260-S266 WeakPolarHBondContact CG-O 3.46Å; R260-S266 PolarHBondContact NH1-O 3.21Å; D261-S266 VanDerWaalsContact O-CA 3.25Å; D261-S266 WeakPolarHBondContact O-CA 3.39Å; D261-S266 PolarHBondContact O-N 2.87Å; R264-S266 PolarHBondContact O-N 2.98Å
267	E	91	Very high	92.4	Very high	63 Å²	63	42.9 Å²	42.9	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141	174	-170	-176.4	130.7	0	0	110.9	R70 R260 D261 R264 K265 Y309	R70-E267 WeakPolarHBondContact CD-OE1 3.49Å; R70-E267 WeakPolarHBondContact CD-OE2 3.33Å; R70-E267 IonicContact CZ-OE1 3.91Å; R70-E267 IonicContact CZ-OE2 2.63Å; R70-E267 VanDerWaalsContact CZ-OE2 3.3Å; R70-E267 IonicContact NE-OE1 2.74Å; R70-E267 PolarHBondContact NE-OE1 2.73Å; R70-E267 IonicContact NE-OE2 3.7Å; R70-E267 IonicContact NH1-OE1 3.46Å; R70-E267 PolarHBondContact NH1-OE1 2.88Å; R70-E267 IonicContact NH1-OE2 3.95Å; R70-E267 PolarHBondContact NH1-OE2 2.57Å; R70-E267 IonicContact NH2-OE1 2.65Å; R260-E267 WeakPolarHBondContact CA-O 3.32Å; D261-E267 PolarHBondContact N-O 2.79Å; R264-E267 WeakPolarHBondContact O-CB 3.38Å; R264-E267 PolarHBondContact O-N 2.89Å; R264-E267 VanDerWaalsContact O-N 3.09Å; K265-E267 PolarHBondContact O-N 2.84Å; E267-Y309 PolarHBondContact OE1-OH 2.82Å
268	A	94.8	Very high	92.1	Very high	30 Å²	30	49.2 Å²	49.2	25%	0.248	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.7	177.8	0	0	0	0	0	111.5	S324	A268-S324 VanDerWaalsContact O-CB 3.23Å; A268-S324 WeakPolarHBondContact O-CB 3.35Å
269	V	96.1	Very high	91.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.7	173	-60.5	0	0	0	0	110	Y242 A259 D261 V271 Y309 V321	Y242-V269 HydrophobicContact CD1-CG2 3.79Å; Y242-V269 HydrophobicContact CE1-CG2 4.26Å; A259-V269 HydrophobicContact CB-CG2 4.11Å; A259-V269 PolarHBondContact N-O 3.05Å; A259-V269 WeakPolarHBondContact O-CG2 3.48Å; A259-V269 PolarHBondContact O-N 3.39Å; D261-V269 HydrophobicContact CB-CG1 4.38Å; V269-V271 HydrophobicContact CG2-CG2 4.24Å; V269-Y309 HydrophobicContact CG1-CD2 4.03Å; V269-Y309 HydrophobicContact CG1-CE2 4.02Å; V269-V321 HydrophobicContact CB-CG1 4.03Å; V269-V321 HydrophobicContact CG1-CG1 4.2Å; V269-V321 HydrophobicContact CG2-CG1 4.15Å
270	A	95.5	Very high	91.3	Very high	13 Å²	13	47 Å²	47	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.5	165.4	0	0	0	0	0	108.9	V256 V257 L322	V256-A270 HydrophobicContact CG1-CB 4.33Å; V257-A270 WeakPolarHBondContact O-CA 3.38Å; A270-L322 HydrophobicContact CB-CB 4.26Å; A270-L322 PolarHBondContact N-O 2.96Å; A270-L322 PolarHBondContact O-N 3.01Å
271	V	95.8	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114	174.8	-171.5	0	0	0	0	108.4	L238 V256 V257 A259 V269 I273 F312 C319 L320	L238-V271 HydrophobicContact CD1-CG1 4.21Å; V256-V271 WeakPolarHBondContact CA-O 3.26Å; V257-V271 HydrophobicContact CG2-CB 3.99Å; V257-V271 PolarHBondContact N-O 2.93Å; V257-V271 PolarHBondContact O-N 3.04Å; A259-V271 HydrophobicContact CB-CG2 4.11Å; V269-V271 HydrophobicContact CG2-CG2 4.24Å; V271-I273 HydrophobicContact CG1-CD1 4.48Å; V271-I273 HydrophobicContact CG1-CG1 3.89Å; V271-F312 HydrophobicContact CG1-CE1 4.28Å; V271-F312 HydrophobicContact CG1-CZ 4.05Å; V271-C319 HydrophobicContact CG1-CB 4.09Å; V271-L320 WeakPolarHBondContact CA-O 3.46Å
272	K	94.7	Very high	90.8	Very high	16 Å²	16	50.3 Å²	50.3	7%	0.07	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.7	172.9	-172.5	-177.5	-161	-174.4	0	107.9	V256 I274 E287 C319 L320 L322 D389	V256-K272 HydrophobicContact CG2-CB 4.24Å; V256-K272 HydrophobicContact CG2-CG 4.04Å; K272-I274 HydrophobicContact CD-CD1 4.13Å; K272-I274 HydrophobicContact CG-CD1 4.09Å; K272-E287 IonicContact NZ-OE1 3.6Å; K272-E287 PolarHBondContact NZ-OE1 3.11Å; K272-E287 IonicContact NZ-OE2 3.32Å; K272-E287 PolarHBondContact NZ-OE2 3.29Å; K272-C319 WeakPolarHBondContact O-CA 3.45Å; K272-L320 HydrophobicContact CB-CB 4.36Å; K272-L320 PolarHBondContact N-O 2.94Å; K272-L320 PolarHBondContact O-N 3.1Å; K272-L322 HydrophobicContact CB-CD1 3.84Å; K272-D389 IonicContact NZ-OD1 3.3Å; K272-D389 PolarHBondContact NZ-OD1 3.18Å
273	I	94.9	Very high	90.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	106.1	-177.2	-54	175.6	0	0	0	107.3	Y230 T232 L238 G254 N255 V257 V271 H317	Y230-I273 HydrophobicContact CD1-CD1 4.03Å; Y230-I273 HydrophobicContact CD1-CG2 4.24Å; Y230-I273 HydrophobicContact CG-CG2 4.22Å; T232-I273 HydrophobicContact CG2-CD1 3.31Å; L238-I273 HydrophobicContact CD1-CD1 3.83Å; G254-I273 CarbonylContact C-O 3.38Å; G254-I273 WeakPolarHBondContact CA-O 3.36Å; N255-I273 PolarHBondContact N-O 3.4Å; N255-I273 PolarHBondContact O-N 2.97Å; V257-I273 HydrophobicContact CG2-CD1 4.15Å; V271-I273 HydrophobicContact CG1-CD1 4.48Å; V271-I273 HydrophobicContact CG1-CG1 3.89Å; I273-H317 HydrophobicContact CG2-CB 3.62Å
274	I	93.5	Very high	90.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.5	-174.8	-56.5	-61.8	0	0	0	110	F253 K272 M280 H317 L318	F253-I274 WeakPolarHBondContact O-CA 3.4Å; K272-I274 HydrophobicContact CD-CD1 4.13Å; K272-I274 HydrophobicContact CG-CD1 4.09Å; I274-M280 HydrophobicContact CG2-CB 4.02Å; I274-M280 VanDerWaalsContact CG2-O 3.28Å; I274-M280 WeakPolarHBondContact CG2-O 3.41Å; I274-H317 PolarHBondContact O-ND1 3.44Å; I274-L318 HydrophobicContact CB-CB 4.28Å; I274-L318 WeakPolarHBondContact CB-O 3.47Å; I274-L318 HydrophobicContact CG1-CB 4.3Å; I274-L318 HydrophobicContact CG1-CD2 4.42Å; I274-L318 HydrophobicContact CG1-CG 4.36Å; I274-L318 WeakPolarHBondContact CG1-O 3.29Å; I274-L318 PolarHBondContact N-O 2.99Å
275	R	90.5	Very high	91	Very high	7 Å²	7	42 Å²	42	3%	0.026	21%	0.207	C	C	.	.			trans	-52.3	143.4	174.4	-83.9	-176.2	166.1	-167.6	7.5	111.5	E170 E227 G228 Y229 F253 N277 M280	E170-R275 IonicContact OE1-CZ 3.44Å; E170-R275 IonicContact OE1-NH1 3.22Å; E170-R275 PolarHBondContact OE1-NH1 2.87Å; E170-R275 IonicContact OE1-NH2 2.82Å; E227-R275 VanDerWaalsContact CB-CZ 3.49Å; E227-R275 VanDerWaalsContact O-CD 3.27Å; E227-R275 WeakPolarHBondContact O-CD 3.29Å; E227-R275 VanDerWaalsContact O-CZ 3.24Å; E227-R275 PolarHBondContact O-NE 2.87Å; E227-R275 VanDerWaalsContact O-NE 3.16Å; E227-R275 PolarHBondContact O-NH1 3.02Å; E227-R275 IonicContact OE2-CZ 3.37Å; E227-R275 IonicContact OE2-NH2 2.73Å; E227-R275 PolarHBondContact OE2-NH2 3.14Å; G228-R275 CarbonylContact O-C 3.56Å; G228-R275 WeakPolarHBondContact O-CA 3.42Å; G228-R275 WeakPolarHBondContact O-CB 3.26Å; Y229-R275 HydrophobicContact CD1-CG 3.62Å; Y229-R275 HydrophobicContact CE1-CG 3.92Å; Y229-R275 HydrophobicContact CG-CG 4.02Å; Y229-R275 VanDerWaalsContact CZ-NE 3.33Å; F253-R275 PolarHBondContact O-N 3.39Å; R275-N277 HydrophobicContact CB-CB 4.48Å; R275-N277 PolarHBondContact O-N 2.95Å; R275-M280 HydrophobicContact CB-CB 4.02Å; R275-M280 HydrophobicContact CB-CG 4.03Å
276	N	87.7	Confident	91.3	Very high	66 Å²	66	34.9 Å²	34.9	35%	0.353	18%	0.176	S	C	.	.	S	Bend	trans	-77	64.7	174.1	-177.6	21.8	0	0	0	110.7	D224 G228 H317	D224-N276 WeakPolarHBondContact OD2-CB 3.14Å; D224-N276 PolarHBondContact OD2-ND2 3.31Å; G228-N276 PolarHBondContact O-N 2.75Å; N276-H317 VanDerWaalsContact CB-CE1 3.46Å; N276-H317 WeakPolarHBondContact CB-CE1 3.5Å; N276-H317 PolarHBondContact N-ND1 2.89Å
277	N	86.7	Confident	91.7	Very high	52 Å²	52	32.8 Å²	32.8	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	-138.3	137.6	-179.8	168.5	-75.3	0	0	0	108.2	M166 R275 L279 M280 Y281	M166-N277 WeakPolarHBondContact CE-ND2 3.37Å; R275-N277 HydrophobicContact CB-CB 4.48Å; R275-N277 PolarHBondContact O-N 2.95Å; N277-L279 VanDerWaalsContact C-N 3.3Å; N277-L279 PolarHBondContact O-N 3.26Å; N277-L279 VanDerWaalsContact OD1-CB 3.26Å; N277-L279 WeakPolarHBondContact OD1-CB 3.33Å; N277-L279 PolarHBondContact OD1-N 3.45Å; N277-M280 HydrophobicContact CB-CB 4.18Å; N277-M280 HydrophobicContact CB-CG 3.97Å; N277-M280 PolarHBondContact O-N 3.35Å; N277-M280 PolarHBondContact OD1-N 2.9Å; N277-Y281 WeakPolarHBondContact O-CB 3.47Å; N277-Y281 PolarHBondContact O-N 2.84Å
278	E	87.7	Confident	91.9	Very high	133 Å²	133	30.5 Å²	30.5	62%	0.621	15%	0.15	S	C	*	.	H	α-helix	trans	-62.1	-35.4	-170.8	-156.9	-162.7	155.4	0	0	113.2	K282	E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 VanDerWaalsContact O-CG 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.29Å; E278-K282 PolarHBondContact O-N 3.45Å; E278-K282 WeakPolarHBondContact OE1-CE 3.26Å; E278-K282 IonicContact OE1-NZ 3.31Å; E278-K282 PolarHBondContact OE1-NZ 3.3Å; E278-K282 IonicContact OE2-NZ 3.66Å
279	L	86.2	Confident	91.9	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-70.3	-44.3	178.4	-156	100.8	0	0	0	111.1	L152 H158 M166 N277 Y281 K282 T283	L152-L279 HydrophobicContact CD1-CD2 3.69Å; L152-L279 HydrophobicContact CD2-CD2 3.5Å; L152-L279 HydrophobicContact CG-CD2 4.17Å; H158-L279 WeakPolarHBondContact CE1-CD1 3.48Å; M166-L279 HydrophobicContact CE-CB 3.93Å; M166-L279 HydrophobicContact CE-CD2 3.96Å; M166-L279 HydrophobicContact CE-CG 4.47Å; M166-L279 HydrophobicContact SD-CB 3.54Å; M166-L279 VanDerWaalsContact SD-CB 3.54Å; M166-L279 HydrophobicContact SD-CD1 3.72Å; M166-L279 HydrophobicContact SD-CD2 3.71Å; M166-L279 HydrophobicContact SD-CG 3.85Å; N277-L279 VanDerWaalsContact C-N 3.3Å; N277-L279 PolarHBondContact O-N 3.26Å; N277-L279 VanDerWaalsContact OD1-CB 3.26Å; N277-L279 WeakPolarHBondContact OD1-CB 3.33Å; N277-L279 PolarHBondContact OD1-N 3.45Å; L279-Y281 VanDerWaalsContact C-N 3.35Å; L279-K282 PolarHBondContact O-N 2.98Å; L279-T283 WeakPolarHBondContact O-CB 3.44Å; L279-T283 PolarHBondContact O-N 2.98Å; L279-T283 PolarHBondContact O-OG1 3.4Å
280	M	88.4	Confident	91.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-39.1	176.4	-58.1	-58.1	178.9	0	0	111	M148 L152 V252 F253 I274 R275 N277 T283 G284	M148-M280 HydrophobicContact CE-CE 3.92Å; M148-M280 HydrophobicContact SD-CE 3.95Å; L152-M280 HydrophobicContact CD2-CE 4.17Å; V252-M280 HydrophobicContact CG1-CE 4.2Å; F253-M280 HydrophobicContact CD1-SD 3.8Å; I274-M280 HydrophobicContact CG2-CB 4.02Å; I274-M280 VanDerWaalsContact CG2-O 3.28Å; I274-M280 WeakPolarHBondContact CG2-O 3.41Å; R275-M280 HydrophobicContact CB-CB 4.02Å; R275-M280 HydrophobicContact CB-CG 4.03Å; N277-M280 HydrophobicContact CB-CB 4.18Å; N277-M280 HydrophobicContact CB-CG 3.97Å; N277-M280 PolarHBondContact O-N 3.35Å; N277-M280 PolarHBondContact OD1-N 2.9Å; M280-T283 PolarHBondContact O-N 3.03Å; M280-G284 PolarHBondContact O-N 3.13Å
281	Y	91.3	Very high	91.9	Very high	87 Å²	87	36 Å²	36	34%	0.341	17%	0.168	S	C	.	.	H	α-helix	trans	-64.2	-46.6	174.3	176.6	-120.6	0	0	0	112.6	N277 L279 T283 G284 L285 F313 L318	N277-Y281 WeakPolarHBondContact O-CB 3.47Å; N277-Y281 PolarHBondContact O-N 2.84Å; L279-Y281 VanDerWaalsContact C-N 3.35Å; Y281-T283 VanDerWaalsContact C-N 3.29Å; Y281-T283 PolarHBondContact O-N 3.47Å; Y281-G284 PolarHBondContact O-N 2.9Å; Y281-L285 HydrophobicContact CD1-CD1 4.28Å; Y281-L285 HydrophobicContact CD2-CG 4.29Å; Y281-L285 HydrophobicContact CE1-CD1 3.73Å; Y281-L285 HydrophobicContact CE1-CG 4.47Å; Y281-L285 HydrophobicContact CE2-CD1 3.99Å; Y281-L285 HydrophobicContact CE2-CD2 4.09Å; Y281-L285 HydrophobicContact CE2-CG 3.87Å; Y281-L285 WeakPolarHBondContact O-CG 3.39Å; Y281-L285 PolarHBondContact O-N 3.12Å; Y281-F313 AromaticContact CE2-CE1 3.66Å; Y281-F313 HydrophobicContact CE2-CE1 3.66Å; Y281-F313 AromaticContact CE2-CZ 3.88Å; Y281-F313 HydrophobicContact CE2-CZ 3.88Å; Y281-L318 HydrophobicContact CD2-CB 3.99Å; Y281-L318 HydrophobicContact CD2-CD2 4.16Å; Y281-L318 HydrophobicContact CE2-CB 4.1Å; Y281-L318 HydrophobicContact CE2-CD2 4.16Å
282	K	90.4	Very high	91.9	Very high	101 Å²	101	40.4 Å²	40.4	44%	0.439	18%	0.184	S	C	.	.	H	α-helix	trans	-56.6	-43.4	172.3	-75.9	165.6	-176	164	0	111.5	E278 L279 L285 K286	E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 VanDerWaalsContact O-CG 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.29Å; E278-K282 PolarHBondContact O-N 3.45Å; E278-K282 WeakPolarHBondContact OE1-CE 3.26Å; E278-K282 IonicContact OE1-NZ 3.31Å; E278-K282 PolarHBondContact OE1-NZ 3.3Å; E278-K282 IonicContact OE2-NZ 3.66Å; L279-K282 PolarHBondContact O-N 2.98Å; K282-L285 PolarHBondContact O-N 3.34Å; K282-K286 PolarHBondContact O-N 3.23Å
283	T	89	Confident	92	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-45.2	177.3	-56.2	0	0	0	0	111.8	I155 F253 L279 M280 Y281 L285 K286 E287	I155-T283 HydrophobicContact CD1-CG2 3.88Å; F253-T283 HydrophobicContact CD1-CG2 4.32Å; F253-T283 HydrophobicContact CE1-CG2 4.06Å; F253-T283 HydrophobicContact CZ-CG2 4.41Å; L279-T283 WeakPolarHBondContact O-CB 3.44Å; L279-T283 PolarHBondContact O-N 2.98Å; L279-T283 PolarHBondContact O-OG1 3.4Å; M280-T283 PolarHBondContact O-N 3.03Å; Y281-T283 VanDerWaalsContact C-N 3.29Å; Y281-T283 PolarHBondContact O-N 3.47Å; T283-L285 PolarHBondContact O-N 2.86Å; T283-K286 WeakPolarHBondContact O-CA 3.31Å; T283-K286 WeakPolarHBondContact O-CB 3.25Å; T283-K286 PolarHBondContact O-N 3.23Å; T283-K286 VanDerWaalsContact O-N 3.1Å; T283-E287 PolarHBondContact O-N 3.37Å
284	G	92.4	Very high	92.1	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-36.4	176.3	0	0	0	0	0	113.4	M280 Y281 M288	M280-G284 PolarHBondContact O-N 3.13Å; Y281-G284 PolarHBondContact O-N 2.9Å; G284-M288 VanDerWaalsContact O-CB 3.29Å; G284-M288 WeakPolarHBondContact O-CB 3.47Å; G284-M288 PolarHBondContact O-N 2.98Å
285	L	93.1	Very high	92.3	Very high	42 Å²	42	44 Å²	44	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-35.4	170.5	-73.6	179.6	0	0	0	112.4	Y281 K282 T283 M288 K289 L318	Y281-L285 HydrophobicContact CD1-CD1 4.28Å; Y281-L285 HydrophobicContact CD2-CG 4.29Å; Y281-L285 HydrophobicContact CE1-CD1 3.73Å; Y281-L285 HydrophobicContact CE1-CG 4.47Å; Y281-L285 HydrophobicContact CE2-CD1 3.99Å; Y281-L285 HydrophobicContact CE2-CD2 4.09Å; Y281-L285 HydrophobicContact CE2-CG 3.87Å; Y281-L285 WeakPolarHBondContact O-CG 3.39Å; Y281-L285 PolarHBondContact O-N 3.12Å; K282-L285 PolarHBondContact O-N 3.34Å; T283-L285 PolarHBondContact O-N 2.86Å; L285-M288 HydrophobicContact CD2-CE 3.88Å; L285-K289 VanDerWaalsContact O-CG 3.26Å; L285-K289 WeakPolarHBondContact O-CG 3.37Å; L285-K289 PolarHBondContact O-N 3.45Å; L285-K289 VanDerWaalsContact O-N 3.13Å; L285-L318 HydrophobicContact CD2-CD2 3.99Å; L285-L318 HydrophobicContact CG-CD2 4.24Å
286	K	91.6	Very high	92.6	Very high	49 Å²	49	48.9 Å²	48.9	21%	0.213	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-51.1	173.8	-160.3	-174	-166.8	-169.7	0	110.3	P156 K282 T283 M288 K289 T290 A393	P156-K286 PolarHBondContact O-NZ 3.2Å; K282-K286 PolarHBondContact O-N 3.23Å; T283-K286 WeakPolarHBondContact O-CA 3.31Å; T283-K286 WeakPolarHBondContact O-CB 3.25Å; T283-K286 PolarHBondContact O-N 3.23Å; T283-K286 VanDerWaalsContact O-N 3.1Å; K286-M288 VanDerWaalsContact C-N 3.35Å; K286-M288 PolarHBondContact O-N 2.82Å; K286-K289 PolarHBondContact O-N 3.48Å; K286-T290 PolarHBondContact O-N 2.76Å; K286-T290 PolarHBondContact O-OG1 2.94Å; K286-A393 WeakPolarHBondContact CE-O 3.43Å; K286-A393 PolarHBondContact NZ-O 3.22Å
287	E	93.8	Very high	93	Very high	3 Å²	3	47 Å²	47	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-47	175.9	-179.9	176.1	-160.2	0	0	111.8	K272 T283 K289 T290 L291 F390	K272-E287 IonicContact NZ-OE1 3.6Å; K272-E287 PolarHBondContact NZ-OE1 3.11Å; K272-E287 IonicContact NZ-OE2 3.32Å; K272-E287 PolarHBondContact NZ-OE2 3.29Å; T283-E287 PolarHBondContact O-N 3.37Å; E287-K289 PolarHBondContact O-N 3.15Å; E287-T290 PolarHBondContact O-N 3.42Å; E287-L291 HydrophobicContact CG-CD1 3.86Å; E287-L291 HydrophobicContact CG-CG 4.42Å; E287-L291 WeakPolarHBondContact O-CB 3.48Å; E287-L291 WeakPolarHBondContact O-CG 3.45Å; E287-L291 PolarHBondContact O-N 3.16Å; E287-F390 HydrophobicContact CG-CB 4.2Å
288	M	95.1	Very high	93.5	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.069	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-43.9	178.1	-176.6	-171.6	71	0	0	112.8	G284 L285 K286 L291 R292 L308 H311 L320	G284-M288 VanDerWaalsContact O-CB 3.29Å; G284-M288 WeakPolarHBondContact O-CB 3.47Å; G284-M288 PolarHBondContact O-N 2.98Å; L285-M288 HydrophobicContact CD2-CE 3.88Å; K286-M288 VanDerWaalsContact C-N 3.35Å; K286-M288 PolarHBondContact O-N 2.82Å; M288-L291 PolarHBondContact O-N 3.42Å; M288-R292 WeakPolarHBondContact O-CG 3.39Å; M288-R292 PolarHBondContact O-N 3.04Å; M288-L308 HydrophobicContact CG-CD2 3.99Å; M288-H311 HydrophobicContact SD-CB 3.89Å; M288-H311 PolarHBondContact SD-CD2 3.16Å; M288-L320 HydrophobicContact CB-CD1 4.43Å; M288-L320 HydrophobicContact CB-CD2 3.93Å; M288-L320 HydrophobicContact CG-CD2 3.91Å; M288-L320 HydrophobicContact SD-CD2 4.07Å
289	K	95.6	Very high	93.8	Very high	141 Å²	141	41.2 Å²	41.2	61%	0.613	20%	0.199	S	C	*	.	H	α-helix	trans	-63.8	-43.3	177	-74	169.2	-178.1	177.6	0	111.2	L285 K286 E287 R292 L293	L285-K289 VanDerWaalsContact O-CG 3.26Å; L285-K289 WeakPolarHBondContact O-CG 3.37Å; L285-K289 PolarHBondContact O-N 3.45Å; L285-K289 VanDerWaalsContact O-N 3.13Å; K286-K289 PolarHBondContact O-N 3.48Å; E287-K289 PolarHBondContact O-N 3.15Å; K289-R292 PolarHBondContact O-N 2.9Å; K289-L293 WeakPolarHBondContact O-CB 3.34Å; K289-L293 PolarHBondContact O-N 3.43Å
290	T	95.6	Very high	94.2	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-47.4	175.9	-57.8	0	0	0	0	111.3	K286 E287 R292 L293 L294 I366 F390 A393	K286-T290 PolarHBondContact O-N 2.76Å; K286-T290 PolarHBondContact O-OG1 2.94Å; E287-T290 PolarHBondContact O-N 3.42Å; T290-R292 PolarHBondContact O-N 3.3Å; T290-L293 PolarHBondContact O-N 2.85Å; T290-L294 HydrophobicContact CG2-CD1 4Å; T290-L294 WeakPolarHBondContact O-CB 3.38Å; T290-L294 VanDerWaalsContact O-CG 3.26Å; T290-L294 WeakPolarHBondContact O-CG 3.5Å; T290-L294 PolarHBondContact O-N 3.24Å; T290-I366 HydrophobicContact CG2-CD1 3.85Å; T290-I366 HydrophobicContact CG2-CG1 4.47Å; T290-I366 HydrophobicContact CG2-CG2 4.17Å; T290-F390 HydrophobicContact CG2-CB 3.97Å; T290-F390 HydrophobicContact CG2-CD1 4.11Å; T290-F390 HydrophobicContact CG2-CG 4.21Å; T290-A393 HydrophobicContact CG2-CB 4.14Å
291	L	96.5	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177	-77.9	169.2	0	0	0	112.8	E287 M288 L294 N295 L306 L308 L322 F390	E287-L291 HydrophobicContact CG-CD1 3.86Å; E287-L291 HydrophobicContact CG-CG 4.42Å; E287-L291 WeakPolarHBondContact O-CB 3.48Å; E287-L291 WeakPolarHBondContact O-CG 3.45Å; E287-L291 PolarHBondContact O-N 3.16Å; M288-L291 PolarHBondContact O-N 3.42Å; L291-L294 PolarHBondContact O-N 3.23Å; L291-N295 WeakPolarHBondContact O-CB 3.43Å; L291-N295 PolarHBondContact O-N 2.85Å; L291-L306 HydrophobicContact CD2-CB 4.36Å; L291-L306 VanDerWaalsContact CD2-O 3.3Å; L291-L306 WeakPolarHBondContact CD2-O 3.46Å; L291-L308 HydrophobicContact CB-CB 3.97Å; L291-L308 HydrophobicContact CB-CD2 4.22Å; L291-L308 HydrophobicContact CD1-CB 4.34Å; L291-L322 HydrophobicContact CD1-CD2 4.17Å; L291-F390 HydrophobicContact CD2-CD2 3.46Å; L291-F390 VanDerWaalsContact CD2-CD2 3.46Å; L291-F390 HydrophobicContact CD2-CE2 3.53Å; L291-F390 HydrophobicContact CG-CD2 3.96Å; L291-F390 HydrophobicContact CG-CE2 4.5Å
292	R	96.3	Very high	94.6	Very high	93 Å²	93	45.1 Å²	45.1	35%	0.351	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-53.3	174	-75.7	-178	166.8	-162.6	-10.5	111.1	E62 M288 K289 T290 L294 N295 D296 L308	E62-R292 IonicContact OE1-NH2 3.64Å; M288-R292 WeakPolarHBondContact O-CG 3.39Å; M288-R292 PolarHBondContact O-N 3.04Å; K289-R292 PolarHBondContact O-N 2.9Å; T290-R292 PolarHBondContact O-N 3.3Å; R292-L294 VanDerWaalsContact C-N 3.28Å; R292-L294 PolarHBondContact O-N 3.39Å; R292-N295 WeakPolarHBondContact O-CB 3.49Å; R292-N295 PolarHBondContact O-N 3.19Å; R292-N295 VanDerWaalsContact O-N 3.1Å; R292-D296 WeakPolarHBondContact O-CB 3.43Å; R292-D296 PolarHBondContact O-N 2.85Å; R292-L308 HydrophobicContact CG-CD2 3.79Å
293	L	96.5	Very high	95	Very high	85 Å²	85	42.2 Å²	42.2	45%	0.445	20%	0.203	S	C	.	.	H	α-helix	trans	-56.6	-39.2	179.1	177.6	59.2	0	0	0	113	K289 T290 S297 C364 I366	K289-L293 WeakPolarHBondContact O-CB 3.34Å; K289-L293 PolarHBondContact O-N 3.43Å; T290-L293 PolarHBondContact O-N 2.85Å; L293-S297 WeakPolarHBondContact O-CB 3.29Å; L293-S297 PolarHBondContact O-N 2.78Å; L293-S297 VanDerWaalsContact O-N 3.11Å; L293-S297 PolarHBondContact O-OG 3.4Å; L293-C364 HydrophobicContact CD2-CB 4.46Å; L293-C364 HydrophobicContact CG-CB 4.42Å; L293-I366 HydrophobicContact CD2-CD1 4.18Å
294	L	97.2	Very high	95.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-47.3	175.3	-69.8	169.4	0	0	0	111.8	T290 L291 R292 D296 S297 D298 C305 L360 L361 C364 I366 F390	T290-L294 HydrophobicContact CG2-CD1 4Å; T290-L294 WeakPolarHBondContact O-CB 3.38Å; T290-L294 VanDerWaalsContact O-CG 3.26Å; T290-L294 WeakPolarHBondContact O-CG 3.5Å; T290-L294 PolarHBondContact O-N 3.24Å; L291-L294 PolarHBondContact O-N 3.23Å; R292-L294 VanDerWaalsContact C-N 3.28Å; R292-L294 PolarHBondContact O-N 3.39Å; L294-D296 PolarHBondContact O-N 2.7Å; L294-S297 CarbonylContact O-C 3.54Å; L294-S297 PolarHBondContact O-N 2.83Å; L294-D298 PolarHBondContact O-N 3.15Å; L294-C305 HydrophobicContact CD1-CB 4.47Å; L294-L360 HydrophobicContact CB-CD2 4.11Å; L294-L360 HydrophobicContact CD2-CD2 3.82Å; L294-L360 HydrophobicContact CD2-CG 3.71Å; L294-L361 HydrophobicContact CD1-CD2 4.06Å; L294-L361 HydrophobicContact CD2-CD2 3.9Å; L294-C364 HydrophobicContact CD2-CB 4.29Å; L294-I366 HydrophobicContact CD1-CD1 4.37Å; L294-I366 HydrophobicContact CD2-CD1 3.74Å; L294-I366 HydrophobicContact CG-CD1 3.88Å; L294-F390 HydrophobicContact CD1-CD1 3.92Å; L294-F390 HydrophobicContact CD1-CE1 3.51Å; L294-F390 HydrophobicContact CD1-CE2 4.32Å; L294-F390 HydrophobicContact CD1-CG 4.48Å; L294-F390 HydrophobicContact CD1-CZ 3.74Å
295	N	97	Very high	95.6	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-45.8	178	-84.8	3.2	0	0	0	112.9	L291 R292 S297 D298 R307 L308	L291-N295 WeakPolarHBondContact O-CB 3.43Å; L291-N295 PolarHBondContact O-N 2.85Å; R292-N295 WeakPolarHBondContact O-CB 3.49Å; R292-N295 PolarHBondContact O-N 3.19Å; R292-N295 VanDerWaalsContact O-N 3.1Å; N295-S297 VanDerWaalsContact C-N 3.29Å; N295-D298 CarbonylContact O-C 3.58Å; N295-D298 PolarHBondContact O-N 3.26Å; N295-D298 VanDerWaalsContact O-O 3.09Å; N295-R307 PolarHBondContact O-NH2 2.93Å; N295-R307 VanDerWaalsContact OD1-CD 3.29Å; N295-R307 WeakPolarHBondContact OD1-CD 3.39Å; N295-R307 PolarHBondContact OD1-NE 3.42Å; N295-R307 VanDerWaalsContact OD1-NE 3.07Å; N295-L308 PolarHBondContact ND2-N 2.73Å; N295-L308 PolarHBondContact ND2-O 2.95Å
296	D	96.5	Very high	95.8	Very high	110 Å²	110	41.8 Å²	41.8	59%	0.588	20%	0.2	S	C	*	.	H	α-helix	trans	-69.2	-31.8	-179.6	-59.8	-24.7	0	0	0	111	R292 L294 D298 P299	R292-D296 WeakPolarHBondContact O-CB 3.43Å; R292-D296 PolarHBondContact O-N 2.85Å; L294-D296 PolarHBondContact O-N 2.7Å; D296-D298 VanDerWaalsContact C-N 3.29Å; D296-P299 WeakPolarHBondContact O-CG 3.19Å
297	S	96.7	Very high	96	Very high	27 Å²	27	39.9 Å²	39.9	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-78.3	-10.7	175.3	-64.4	0	0	0	0	114	L293 L294 N295 K363 C364	L293-S297 WeakPolarHBondContact O-CB 3.29Å; L293-S297 PolarHBondContact O-N 2.78Å; L293-S297 VanDerWaalsContact O-N 3.11Å; L293-S297 PolarHBondContact O-OG 3.4Å; L294-S297 CarbonylContact O-C 3.54Å; L294-S297 PolarHBondContact O-N 2.83Å; N295-S297 VanDerWaalsContact C-N 3.29Å; S297-K363 PolarHBondContact O-NZ 2.74Å; S297-C364 WeakPolarHBondContact CB-SG 3.44Å; S297-C364 PolarHBondContact OG-SG 3.24Å
298	D	96.6	Very high	96.2	Very high	2 Å²	2	40 Å²	40	1%	0.011	19%	0.192	C	C	.	.			trans	-136.8	73.7	173.8	-178.8	21.3	0	0	0	111.6	L294 N295 D296 D300 D301 R302 F303 R307 L360	L294-D298 PolarHBondContact O-N 3.15Å; N295-D298 CarbonylContact O-C 3.58Å; N295-D298 PolarHBondContact O-N 3.26Å; N295-D298 VanDerWaalsContact O-O 3.09Å; D296-D298 VanDerWaalsContact C-N 3.29Å; D298-D300 PolarHBondContact O-N 3.02Å; D298-D300 VanDerWaalsContact O-N 3.11Å; D298-D300 PolarHBondContact OD1-N 2.91Å; D298-D301 PolarHBondContact O-N 3.01Å; D298-D301 PolarHBondContact OD1-N 3.49Å; D298-D301 VanDerWaalsContact OD1-N 3.08Å; D298-D301 VanDerWaalsContact OD2-C 3.25Å; D298-D301 VanDerWaalsContact OD2-CA 3.27Å; D298-D301 WeakPolarHBondContact OD2-CA 3.41Å; D298-R302 PolarHBondContact OD1-N 3.07Å; D298-R302 PolarHBondContact OD2-N 3.17Å; D298-F303 HydrophobicContact CB-CD2 3.97Å; D298-F303 PolarHBondContact OD2-N 2.81Å; D298-R307 PolarHBondContact O-NH1 2.9Å; D298-R307 PolarHBondContact O-NH2 2.98Å; D298-R307 VanDerWaalsContact O-NH2 3.12Å; D298-R307 IonicContact OD2-NH1 2.65Å; D298-L360 HydrophobicContact CB-CD1 4.09Å; D298-L360 HydrophobicContact CB-CD2 3.85Å
299	P	94.5	Very high	96.2	Very high	62 Å²	62	40.6 Å²	40.6	40%	0.403	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.7	177.7	-22	35.1	0	0	0	114.2	R72 D296	R72-P299 WeakPolarHBondContact CD-O 3.42Å; D296-P299 WeakPolarHBondContact O-CG 3.19Å
300	D	93.6	Very high	96.1	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.15	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-12.8	178.4	-59.7	-60.9	0	0	0	113.4	R72 L76 D298 R302	R72-D300 IonicContact CZ-OD1 2.66Å; R72-D300 IonicContact NE-OD1 2.73Å; R72-D300 PolarHBondContact NE-OD1 3.25Å; R72-D300 IonicContact NH2-OD1 3.15Å; R72-D300 PolarHBondContact NH2-OD1 2.82Å; L76-D300 HydrophobicContact CD1-CB 3.82Å; L76-D300 WeakPolarHBondContact CD1-O 3.47Å; D298-D300 PolarHBondContact O-N 3.02Å; D298-D300 VanDerWaalsContact O-N 3.11Å; D298-D300 PolarHBondContact OD1-N 2.91Å; D300-R302 VanDerWaalsContact C-N 3.25Å; D300-R302 HydrophobicContact CB-CB 4.31Å; D300-R302 HydrophobicContact CB-CG 3.65Å; D300-R302 VanDerWaalsContact CB-NE 3.33Å; D300-R302 PolarHBondContact O-N 3.24Å; D300-R302 IonicContact OD2-CZ 3.28Å; D300-R302 VanDerWaalsContact OD2-CZ 3.28Å; D300-R302 IonicContact OD2-NE 2.84Å; D300-R302 PolarHBondContact OD2-NE 3.45Å; D300-R302 VanDerWaalsContact OD2-NE 3.11Å; D300-R302 IonicContact OD2-NH2 2.68Å; D300-R302 PolarHBondContact OD2-NH2 3.47Å
301	D	94.7	Very high	96.2	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.102	17%	0.173	C	C	.	.			trans	58.7	32	-170.7	-168	33.7	0	0	0	114.3	R73 D298 R307 K386	R73-D301 WeakPolarHBondContact CD-OD2 3.43Å; R73-D301 HydrophobicContact CG-CB 4.5Å; R73-D301 WeakPolarHBondContact CG-OD2 3.48Å; R73-D301 IonicContact CZ-OD2 3.99Å; R73-D301 IonicContact NE-OD2 3.77Å; R73-D301 PolarHBondContact NE-OD2 3.17Å; D298-D301 PolarHBondContact O-N 3.01Å; D298-D301 PolarHBondContact OD1-N 3.49Å; D298-D301 VanDerWaalsContact OD1-N 3.08Å; D298-D301 VanDerWaalsContact OD2-C 3.25Å; D298-D301 VanDerWaalsContact OD2-CA 3.27Å; D298-D301 WeakPolarHBondContact OD2-CA 3.41Å; D301-R307 VanDerWaalsContact OD1-CD 3.27Å; D301-R307 WeakPolarHBondContact OD1-CD 3.3Å; D301-R307 IonicContact OD1-NH1 3.11Å; D301-K386 IonicContact OD1-NZ 2.85Å; D301-K386 PolarHBondContact OD1-NZ 2.95Å; D301-K386 IonicContact OD2-NZ 2.65Å; D301-K386 PolarHBondContact OD2-NZ 2.95Å
302	R	95.1	Very high	96.2	Very high	138 Å²	138	36.6 Å²	36.6	52%	0.521	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.5	-177.7	-74.3	-175.5	-64.7	156.9	-6.8	114.7	L76 D298 D300 H304	L76-R302 HydrophobicContact CD1-CG 4.03Å; L76-R302 HydrophobicContact CD2-CG 4.48Å; D298-R302 PolarHBondContact OD1-N 3.07Å; D298-R302 PolarHBondContact OD2-N 3.17Å; D300-R302 VanDerWaalsContact C-N 3.25Å; D300-R302 HydrophobicContact CB-CB 4.31Å; D300-R302 HydrophobicContact CB-CG 3.65Å; D300-R302 VanDerWaalsContact CB-NE 3.33Å; D300-R302 PolarHBondContact O-N 3.24Å; D300-R302 IonicContact OD2-CZ 3.28Å; D300-R302 VanDerWaalsContact OD2-CZ 3.28Å; D300-R302 IonicContact OD2-NE 2.84Å; D300-R302 PolarHBondContact OD2-NE 3.45Å; D300-R302 VanDerWaalsContact OD2-NE 3.11Å; D300-R302 IonicContact OD2-NH2 2.68Å; D300-R302 PolarHBondContact OD2-NH2 3.47Å; R302-H304 PolarHBondContact O-CD2 2.91Å
303	F	97	Very high	96.1	Very high	40 Å²	40	37.3 Å²	37.3	18%	0.175	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	19.4	-175.2	-63.1	-75.4	0	0	0	114.2	D298 C305 M356 A357 K359 L360	D298-F303 HydrophobicContact CB-CD2 3.97Å; D298-F303 PolarHBondContact OD2-N 2.81Å; F303-C305 VanDerWaalsContact C-N 3.27Å; F303-C305 PolarHBondContact O-N 2.86Å; F303-M356 HydrophobicContact CD1-CB 4.13Å; F303-M356 WeakPolarHBondContact CD1-O 3.43Å; F303-M356 HydrophobicContact CD1-SD 4.1Å; F303-M356 HydrophobicContact CE1-SD 4.04Å; F303-A357 WeakPolarHBondContact O-CA 3.43Å; F303-A357 WeakPolarHBondContact O-CB 3.33Å; F303-A357 PolarHBondContact O-N 3.04Å; F303-K359 HydrophobicContact CD1-CB 4.46Å; F303-K359 HydrophobicContact CE1-CB 4.5Å; F303-K359 HydrophobicContact CE1-CD 4.27Å; F303-K359 HydrophobicContact CE1-CG 4.32Å; F303-L360 HydrophobicContact CB-CB 3.57Å; F303-L360 HydrophobicContact CB-CD2 3.94Å; F303-L360 HydrophobicContact CB-CG 4.26Å; F303-L360 HydrophobicContact CD1-CB 4.48Å; F303-L360 HydrophobicContact CD2-CB 4.35Å; F303-L360 HydrophobicContact CD2-CD1 4.28Å; F303-L360 HydrophobicContact CG-CB 3.91Å
304	H	97.5	Very high	96	Very high	30 Å²	30	34.6 Å²	34.6	14%	0.139	17%	0.166	C	C	.	.			trans	58.3	27.1	163	-61.6	-90.2	0	0	0	116.8	R302 Q353 A357 L385 K386 L387	R302-H304 PolarHBondContact O-CD2 2.91Å; H304-Q353 VanDerWaalsContact CE1-CG 3.43Å; H304-Q353 WeakPolarHBondContact CE1-CG 3.44Å; H304-Q353 PolarHBondContact CE1-OE1 2.79Å; H304-Q353 PolarHBondContact ND1-OE1 2.89Å; H304-Q353 VanDerWaalsContact ND1-OE1 3.14Å; H304-A357 HydrophobicContact CB-CB 4.48Å; H304-L385 HydrophobicContact CB-CD1 4.19Å; H304-L385 PolarHBondContact ND1-O 3Å; H304-K386 CarbonylContact O-C 3.55Å; H304-K386 VanDerWaalsContact O-CA 3.28Å; H304-K386 WeakPolarHBondContact O-CA 3.4Å; H304-L387 PolarHBondContact O-N 2.63Å
305	C	97.5	Very high	95.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-91.2	148.1	165	-69.2	0	0	0	0	110.7	L294 F303 R307 L360 F390	L294-C305 HydrophobicContact CD1-CB 4.47Å; F303-C305 VanDerWaalsContact C-N 3.27Å; F303-C305 PolarHBondContact O-N 2.86Å; C305-R307 PolarHBondContact O-N 3.44Å; C305-L360 HydrophobicContact CB-CD2 4.3Å; C305-F390 HydrophobicContact CB-CZ 4.08Å
306	L	96.9	Very high	95.4	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	21%	0.208	C	C	.	.			trans	-57.4	130.1	178.3	-177.6	74	0	0	0	112.2	L291 L308 L322 E323 L325 L377 L387 C388 F390	L291-L306 HydrophobicContact CD2-CB 4.36Å; L291-L306 VanDerWaalsContact CD2-O 3.3Å; L291-L306 WeakPolarHBondContact CD2-O 3.46Å; L306-L308 PolarHBondContact O-N 2.76Å; L306-L322 HydrophobicContact CD2-CD1 4.12Å; L306-L322 HydrophobicContact CD2-CD2 3.87Å; L306-L322 HydrophobicContact CD2-CG 4.4Å; L306-L322 HydrophobicContact CG-CD2 4.41Å; L306-E323 HydrophobicContact CD1-CG 3.5Å; L306-E323 HydrophobicContact CG-CG 4.37Å; L306-L325 HydrophobicContact CD1-CD1 3.62Å; L306-L377 HydrophobicContact CD1-CD1 4.49Å; L306-L387 WeakPolarHBondContact CB-O 3.02Å; L306-L387 PolarHBondContact N-O 3.26Å; L306-C388 HydrophobicContact CB-CB 4.07Å; L306-C388 HydrophobicContact CD2-CB 3.81Å; L306-C388 HydrophobicContact CG-CB 4.39Å; L306-F390 HydrophobicContact CB-CE2 4.38Å
307	R	96.9	Very high	95.3	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.03	18%	0.181	C	C	.	.			trans	-84	110.6	177.7	-55.3	-52.1	-74.7	-154.6	5.3	112.4	M69 N295 D298 D301 C305 Y309 L322 E323	M69-R307 PolarHBondContact SD-NH2 2.66Å; N295-R307 PolarHBondContact O-NH2 2.93Å; N295-R307 VanDerWaalsContact OD1-CD 3.29Å; N295-R307 WeakPolarHBondContact OD1-CD 3.39Å; N295-R307 PolarHBondContact OD1-NE 3.42Å; N295-R307 VanDerWaalsContact OD1-NE 3.07Å; D298-R307 PolarHBondContact O-NH1 2.9Å; D298-R307 PolarHBondContact O-NH2 2.98Å; D298-R307 VanDerWaalsContact O-NH2 3.12Å; D298-R307 IonicContact OD2-NH1 2.65Å; D301-R307 VanDerWaalsContact OD1-CD 3.27Å; D301-R307 WeakPolarHBondContact OD1-CD 3.3Å; D301-R307 IonicContact OD1-NH1 3.11Å; C305-R307 PolarHBondContact O-N 3.44Å; R307-Y309 HydrophobicContact CB-CE1 4.36Å; R307-L322 WeakPolarHBondContact O-CA 3.12Å; R307-E323 HydrophobicContact CB-CB 4.38Å; R307-E323 HydrophobicContact CB-CG 4.22Å; R307-E323 PolarHBondContact N-OE1 3.43Å; R307-E323 PolarHBondContact O-N 3.39Å
308	L	96.8	Very high	95.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.2	155.4	-176.3	73.7	0	0	0	109.5	M288 L291 R292 N295 L306 L320 L322	M288-L308 HydrophobicContact CG-CD2 3.99Å; L291-L308 HydrophobicContact CB-CB 3.97Å; L291-L308 HydrophobicContact CB-CD2 4.22Å; L291-L308 HydrophobicContact CD1-CB 4.34Å; R292-L308 HydrophobicContact CG-CD2 3.79Å; N295-L308 PolarHBondContact ND2-N 2.73Å; N295-L308 PolarHBondContact ND2-O 2.95Å; L306-L308 PolarHBondContact O-N 2.76Å; L308-L320 HydrophobicContact CD1-CB 3.89Å; L308-L320 HydrophobicContact CD1-CD2 4.34Å; L308-L322 HydrophobicContact CB-CD2 4.37Å; L308-L322 HydrophobicContact CD1-CD2 3.87Å
309	Y	94.9	Very high	95.2	Very high	27 Å²	27	38 Å²	38	11%	0.106	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-65.2	171.1	-69.2	-26.5	0	0	0	109.8	I66 R70 E267 V269 R307 V321 E323	I66-Y309 WeakPolarHBondContact CD1-O 3.43Å; I66-Y309 HydrophobicContact CG2-CD1 3.41Å; I66-Y309 VanDerWaalsContact CG2-CD1 3.41Å; I66-Y309 HydrophobicContact CG2-CE1 4.01Å; I66-Y309 HydrophobicContact CG2-CG 3.69Å; R70-Y309 HydrophobicContact CG-CE1 4.27Å; R70-Y309 PolarHBondContact NE-OH 2.94Å; E267-Y309 PolarHBondContact OE1-OH 2.82Å; V269-Y309 HydrophobicContact CG1-CD2 4.03Å; V269-Y309 HydrophobicContact CG1-CE2 4.02Å; R307-Y309 HydrophobicContact CB-CE1 4.36Å; Y309-V321 HydrophobicContact CD2-CG1 4.31Å; Y309-V321 PolarHBondContact N-O 3.02Å; Y309-E323 HydrophobicContact CE1-CB 4.49Å; Y309-E323 HydrophobicContact CE2-CB 4.41Å
310	R	94.9	Very high	95.3	Very high	14 Å²	14	35 Å²	35	5%	0.053	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-178.6	175	54.2	-173.4	-73.5	-91.9	-11.6	111.2	E62 I66 D239 Y242 V321	E62-R310 WeakPolarHBondContact OE2-CB 3.39Å; E62-R310 VanDerWaalsContact OE2-CD 3.32Å; E62-R310 WeakPolarHBondContact OE2-CD 3.38Å; E62-R310 IonicContact OE2-CZ 3.73Å; E62-R310 IonicContact OE2-NE 2.78Å; E62-R310 PolarHBondContact OE2-NE 3.45Å; I66-R310 HydrophobicContact CD1-CB 4.08Å; I66-R310 HydrophobicContact CD1-CG 4.19Å; D239-R310 IonicContact OD2-CZ 2.68Å; D239-R310 VanDerWaalsContact OD2-CZ 3.31Å; D239-R310 IonicContact OD2-NH1 2.94Å; D239-R310 PolarHBondContact OD2-NH1 3.44Å; D239-R310 IonicContact OD2-NH2 3.25Å; D239-R310 PolarHBondContact OD2-NH2 3.17Å; Y242-R310 WeakPolarHBondContact OH-CD 3.49Å; Y242-R310 WeakPolarHBondContact OH-CG 3.3Å; Y242-R310 PolarHBondContact OH-NH1 3.43Å; R310-V321 HydrophobicContact CG-CB 4.4Å; R310-V321 HydrophobicContact CG-CG2 4.44Å; R310-V321 PolarHBondContact N-O 2.84Å; R310-V321 WeakPolarHBondContact O-CB 3.17Å; R310-V321 PolarHBondContact O-N 2.83Å
311	H	96	Very high	95.5	Very high	51 Å²	51	33.8 Å²	33.8	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.2	176	75.5	-30.5	0	0	0	110.6	M288 C319 L320	M288-H311 HydrophobicContact SD-CB 3.89Å; M288-H311 PolarHBondContact SD-CD2 3.16Å; H311-C319 CarbonylContact C-O 3.5Å; H311-C319 VanDerWaalsContact CA-O 3.25Å; H311-C319 WeakPolarHBondContact CA-O 3.44Å; H311-L320 HydrophobicContact CB-CD2 3.99Å
312	F	96.5	Very high	95.5	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.044	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	175.1	170.9	61.6	-90.7	0	0	0	110.2	L238 D239 Y242 V271 H314 C319 V321	L238-F312 HydrophobicContact CB-CE2 3.87Å; L238-F312 HydrophobicContact CB-CZ 3.67Å; L238-F312 HydrophobicContact CD1-CZ 4.33Å; D239-F312 HydrophobicContact CB-CB 4.38Å; D239-F312 HydrophobicContact CB-CD1 3.88Å; D239-F312 HydrophobicContact CB-CD2 3.74Å; D239-F312 HydrophobicContact CB-CE1 3.99Å; D239-F312 HydrophobicContact CB-CE2 3.87Å; D239-F312 HydrophobicContact CB-CG 3.76Å; D239-F312 HydrophobicContact CB-CZ 3.99Å; D239-F312 WeakPolarHBondContact OD1-CB 3.11Å; Y242-F312 HydrophobicContact CD2-CD1 4.34Å; Y242-F312 AromaticContact CD2-CE1 3.56Å; Y242-F312 HydrophobicContact CD2-CE1 3.56Å; Y242-F312 AromaticContact CD2-CZ 3.97Å; Y242-F312 HydrophobicContact CD2-CZ 3.97Å; Y242-F312 AromaticContact CE2-CD1 3.87Å; Y242-F312 HydrophobicContact CE2-CD1 3.87Å; Y242-F312 AromaticContact CE2-CE1 3.49Å; Y242-F312 HydrophobicContact CE2-CE1 3.49Å; Y242-F312 VanDerWaalsContact CE2-CE1 3.49Å; Y242-F312 HydrophobicContact CE2-CZ 4.33Å; V271-F312 HydrophobicContact CG1-CE1 4.28Å; V271-F312 HydrophobicContact CG1-CZ 4.05Å; F312-H314 HydrophobicContact CD2-CB 4.16Å; F312-H314 HydrophobicContact CE2-CB 3.85Å; F312-C319 HydrophobicContact CD1-CB 3.98Å; F312-C319 HydrophobicContact CD2-CB 3.64Å; F312-C319 HydrophobicContact CE1-CB 3.74Å; F312-C319 HydrophobicContact CE2-CB 3.37Å; F312-C319 VanDerWaalsContact CE2-SG 3.55Å; F312-C319 HydrophobicContact CG-CB 3.94Å; F312-C319 HydrophobicContact CZ-CB 3.42Å; F312-C319 VanDerWaalsContact CZ-CB 3.42Å; F312-C319 PolarHBondContact N-O 2.73Å; F312-C319 PolarHBondContact O-N 3.27Å; F312-V321 HydrophobicContact CD1-CG2 3.76Å; F312-V321 HydrophobicContact CE1-CG2 3.45Å; F312-V321 VanDerWaalsContact CE1-CG2 3.45Å
313	F	95.1	Very high	95.5	Very high	108 Å²	108	27 Å²	27	47%	0.474	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.2	170.7	-74.3	-94.8	0	0	0	109.9	Y281 H317 L318	Y281-F313 AromaticContact CE2-CE1 3.66Å; Y281-F313 HydrophobicContact CE2-CE1 3.66Å; Y281-F313 AromaticContact CE2-CZ 3.88Å; Y281-F313 HydrophobicContact CE2-CZ 3.88Å; F313-H317 VanDerWaalsContact CA-O 3.29Å; F313-H317 WeakPolarHBondContact CA-O 3.43Å; F313-L318 HydrophobicContact CE1-CB 4.18Å; F313-L318 HydrophobicContact CE1-CD1 4.36Å; F313-L318 HydrophobicContact CE2-CD1 4.32Å; F313-L318 HydrophobicContact CZ-CD1 4.07Å
314	H	93.3	Very high	95.4	Very high	28 Å²	28	26.8 Å²	26.8	13%	0.13	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.8	175.6	-173.9	83	0	0	0	108.8	Y230 E236 L238 F312 K316 H317	Y230-H314 AromaticContact CE1-CD2 3.85Å; Y230-H314 AromaticContact CZ-CD2 3.75Å; Y230-H314 AromaticContact CZ-NE2 3.79Å; Y230-H314 PolarHBondContact OH-NE2 3.3Å; E236-H314 IonicContact OE1-CE1 2.7Å; E236-H314 IonicContact OE1-NE2 2.61Å; E236-H314 PolarHBondContact OE1-NE2 2.79Å; L238-H314 WeakPolarHBondContact CD2-NE2 3.48Å; F312-H314 HydrophobicContact CD2-CB 4.16Å; F312-H314 HydrophobicContact CE2-CB 3.85Å; H314-K316 VanDerWaalsContact C-N 3.33Å; H314-K316 PolarHBondContact O-N 3.31Å; H314-H317 PolarHBondContact N-O 2.88Å; H314-H317 WeakPolarHBondContact O-CB 3.46Å; H314-H317 PolarHBondContact O-N 2.62Å
315	K	91.7	Very high	95.2	Very high	64 Å²	64	26 Å²	26	28%	0.278	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	53.1	178	-62	166.4	178.8	170.6	0	112.3	W223 Y230 E236 H317	W223-K315 HydrophobicContact CB-CD 4.39Å; W223-K315 HydrophobicContact CD2-CD 3.75Å; W223-K315 HydrophobicContact CE3-CD 4.21Å; W223-K315 HydrophobicContact CG-CD 3.81Å; W223-K315 VanDerWaalsContact CH2-NZ 3.35Å; Y230-K315 HydrophobicContact CE2-CB 4.15Å; Y230-K315 HydrophobicContact CE2-CD 3.49Å; Y230-K315 VanDerWaalsContact CE2-CD 3.49Å; Y230-K315 HydrophobicContact CE2-CG 4.44Å; Y230-K315 WeakPolarHBondContact OH-CD 3.25Å; Y230-K315 PolarHBondContact OH-NZ 3.16Å; E236-K315 IonicContact OE1-NZ 3.87Å; E236-K315 PolarHBondContact OE1-NZ 3.28Å; K315-H317 PolarHBondContact O-CD2 3.47Å; K315-H317 PolarHBondContact O-N 2.89Å; K315-H317 VanDerWaalsContact O-N 3.16Å
316	K	90.9	Very high	94.9	Very high	152 Å²	152	26.3 Å²	26.3	66%	0.661	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-20	-175.3	-51.5	165.2	-171.8	160.4	0	116.4	H314	H314-K316 VanDerWaalsContact C-N 3.33Å; H314-K316 PolarHBondContact O-N 3.31Å
317	H	94.3	Very high	94.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.4	177.7	-59.5	-87.4	0	0	0	113	D224 G228 Y230 I273 I274 N276 F313 H314 K315	D224-H317 IonicContact OD1-NE2 3.52Å; D224-H317 PolarHBondContact OD1-NE2 2.81Å; D224-H317 IonicContact OD2-CE1 3.06Å; D224-H317 IonicContact OD2-NE2 2.7Å; G228-H317 PolarHBondContact O-CE1 3.42Å; Y230-H317 WeakPolarHBondContact CB-NE2 3Å; Y230-H317 AromaticContact CD2-CD2 3.46Å; Y230-H317 VanDerWaalsContact CD2-CD2 3.46Å; Y230-H317 WeakPolarHBondContact CD2-CD2 3.45Å; Y230-H317 AromaticContact CD2-NE2 3.44Å; Y230-H317 WeakPolarHBondContact CD2-NE2 3.48Å; Y230-H317 AromaticContact CG-CD2 3.72Å; Y230-H317 AromaticContact CG-NE2 3.8Å; Y230-H317 PolarHBondContact N-CE1 3.25Å; I273-H317 HydrophobicContact CG2-CB 3.62Å; I274-H317 PolarHBondContact O-ND1 3.44Å; N276-H317 VanDerWaalsContact CB-CE1 3.46Å; N276-H317 WeakPolarHBondContact CB-CE1 3.5Å; N276-H317 PolarHBondContact N-ND1 2.89Å; F313-H317 VanDerWaalsContact CA-O 3.29Å; F313-H317 WeakPolarHBondContact CA-O 3.43Å; H314-H317 PolarHBondContact N-O 2.88Å; H314-H317 WeakPolarHBondContact O-CB 3.46Å; H314-H317 PolarHBondContact O-N 2.62Å; K315-H317 PolarHBondContact O-CD2 3.47Å; K315-H317 PolarHBondContact O-N 2.89Å; K315-H317 VanDerWaalsContact O-N 3.16Å
318	L	95.4	Very high	94.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123	165.2	172.8	62.5	0	0	0	109.3	I274 Y281 L285 F313 L320	I274-L318 HydrophobicContact CB-CB 4.28Å; I274-L318 WeakPolarHBondContact CB-O 3.47Å; I274-L318 HydrophobicContact CG1-CB 4.3Å; I274-L318 HydrophobicContact CG1-CD2 4.42Å; I274-L318 HydrophobicContact CG1-CG 4.36Å; I274-L318 WeakPolarHBondContact CG1-O 3.29Å; I274-L318 PolarHBondContact N-O 2.99Å; Y281-L318 HydrophobicContact CD2-CB 3.99Å; Y281-L318 HydrophobicContact CD2-CD2 4.16Å; Y281-L318 HydrophobicContact CE2-CB 4.1Å; Y281-L318 HydrophobicContact CE2-CD2 4.16Å; L285-L318 HydrophobicContact CD2-CD2 3.99Å; L285-L318 HydrophobicContact CG-CD2 4.24Å; F313-L318 HydrophobicContact CE1-CB 4.18Å; F313-L318 HydrophobicContact CE1-CD1 4.36Å; F313-L318 HydrophobicContact CE2-CD1 4.32Å; F313-L318 HydrophobicContact CZ-CD1 4.07Å; L318-L320 HydrophobicContact CD1-CD2 4.14Å; L318-L320 HydrophobicContact CD2-CD2 4.39Å; L318-L320 HydrophobicContact CG-CD2 4.14Å
319	C	96.4	Very high	94.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.7	-179.6	-63.7	0	0	0	0	110.4	V271 K272 H311 F312	V271-C319 HydrophobicContact CG1-CB 4.09Å; K272-C319 WeakPolarHBondContact O-CA 3.45Å; H311-C319 CarbonylContact C-O 3.5Å; H311-C319 VanDerWaalsContact CA-O 3.25Å; H311-C319 WeakPolarHBondContact CA-O 3.44Å; F312-C319 HydrophobicContact CD1-CB 3.98Å; F312-C319 HydrophobicContact CD2-CB 3.64Å; F312-C319 HydrophobicContact CE1-CB 3.74Å; F312-C319 HydrophobicContact CE2-CB 3.37Å; F312-C319 VanDerWaalsContact CE2-SG 3.55Å; F312-C319 HydrophobicContact CG-CB 3.94Å; F312-C319 HydrophobicContact CZ-CB 3.42Å; F312-C319 VanDerWaalsContact CZ-CB 3.42Å; F312-C319 PolarHBondContact N-O 2.73Å; F312-C319 PolarHBondContact O-N 3.27Å
320	L	96.3	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121	175.4	-53.8	-176.4	0	0	0	109.7	V271 K272 M288 L308 H311 L318 L322	V271-L320 WeakPolarHBondContact CA-O 3.46Å; K272-L320 HydrophobicContact CB-CB 4.36Å; K272-L320 PolarHBondContact N-O 2.94Å; K272-L320 PolarHBondContact O-N 3.1Å; M288-L320 HydrophobicContact CB-CD1 4.43Å; M288-L320 HydrophobicContact CB-CD2 3.93Å; M288-L320 HydrophobicContact CG-CD2 3.91Å; M288-L320 HydrophobicContact SD-CD2 4.07Å; L308-L320 HydrophobicContact CD1-CB 3.89Å; L308-L320 HydrophobicContact CD1-CD2 4.34Å; H311-L320 HydrophobicContact CB-CD2 3.99Å; L318-L320 HydrophobicContact CD1-CD2 4.14Å; L318-L320 HydrophobicContact CD2-CD2 4.39Å; L318-L320 HydrophobicContact CG-CD2 4.14Å; L320-L322 HydrophobicContact CB-CD2 4.47Å
321	V	96.7	Very high	94.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.2	177.3	-174.4	0	0	0	0	108.6	Y242 V269 Y309 R310 F312	Y242-V321 HydrophobicContact CD2-CG2 4.44Å; Y242-V321 HydrophobicContact CE1-CG1 3.91Å; Y242-V321 HydrophobicContact CE1-CG2 4.35Å; Y242-V321 HydrophobicContact CE2-CG2 3.77Å; V269-V321 HydrophobicContact CB-CG1 4.03Å; V269-V321 HydrophobicContact CG1-CG1 4.2Å; V269-V321 HydrophobicContact CG2-CG1 4.15Å; Y309-V321 HydrophobicContact CD2-CG1 4.31Å; Y309-V321 PolarHBondContact N-O 3.02Å; R310-V321 HydrophobicContact CG-CB 4.4Å; R310-V321 HydrophobicContact CG-CG2 4.44Å; R310-V321 PolarHBondContact N-O 2.84Å; R310-V321 WeakPolarHBondContact O-CB 3.17Å; R310-V321 PolarHBondContact O-N 2.83Å; F312-V321 HydrophobicContact CD1-CG2 3.76Å; F312-V321 HydrophobicContact CE1-CG2 3.45Å; F312-V321 VanDerWaalsContact CE1-CG2 3.45Å
322	L	96	Very high	94.3	Very high	11 Å²	11	29 Å²	29	6%	0.058	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	159.7	-169.6	-56.2	163.8	0	0	0	109.6	A270 K272 L291 L306 R307 L308 L320	A270-L322 HydrophobicContact CB-CB 4.26Å; A270-L322 PolarHBondContact N-O 2.96Å; A270-L322 PolarHBondContact O-N 3.01Å; K272-L322 HydrophobicContact CB-CD1 3.84Å; L291-L322 HydrophobicContact CD1-CD2 4.17Å; L306-L322 HydrophobicContact CD2-CD1 4.12Å; L306-L322 HydrophobicContact CD2-CD2 3.87Å; L306-L322 HydrophobicContact CD2-CG 4.4Å; L306-L322 HydrophobicContact CG-CD2 4.41Å; R307-L322 WeakPolarHBondContact O-CA 3.12Å; L308-L322 HydrophobicContact CB-CD2 4.37Å; L308-L322 HydrophobicContact CD1-CD2 3.87Å; L320-L322 HydrophobicContact CB-CD2 4.47Å
323	E	95	Very high	94.2	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	142.5	164.5	59.7	170	124.4	0	0	111.9	R73 L306 R307 Y309 L325 K386	R73-E323 IonicContact CZ-OE2 3.62Å; R73-E323 IonicContact NH1-OE1 3.4Å; R73-E323 IonicContact NH1-OE2 3.62Å; R73-E323 PolarHBondContact NH1-OE2 2.95Å; R73-E323 IonicContact NH2-OE2 2.85Å; R73-E323 PolarHBondContact NH2-OE2 2.98Å; L306-E323 HydrophobicContact CD1-CG 3.5Å; L306-E323 HydrophobicContact CG-CG 4.37Å; R307-E323 HydrophobicContact CB-CB 4.38Å; R307-E323 HydrophobicContact CB-CG 4.22Å; R307-E323 PolarHBondContact N-OE1 3.43Å; R307-E323 PolarHBondContact O-N 3.39Å; Y309-E323 HydrophobicContact CE1-CB 4.49Å; Y309-E323 HydrophobicContact CE2-CB 4.41Å; E323-L325 HydrophobicContact CG-CD1 4.19Å; E323-L325 HydrophobicContact CG-CG 4.23Å; E323-L325 WeakPolarHBondContact OE2-CD2 3.41Å; E323-K386 VanDerWaalsContact OE1-CE 3.29Å; E323-K386 WeakPolarHBondContact OE1-CE 3.39Å
324	S	94	Very high	94.1	Very high	36 Å²	36	33 Å²	33	25%	0.252	15%	0.15	S	C	.	.			trans	-79.4	131.7	171.1	-176.5	0	0	0	0	110.4	A268	A268-S324 VanDerWaalsContact O-CB 3.23Å; A268-S324 WeakPolarHBondContact O-CB 3.35Å
325	L	93.4	Very high	94.1	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.079	18%	0.175	C	C	.	.			trans	-131.1	163.7	176.7	-68.1	169.9	0	0	0	110.2	L306 E323 L377 N379 K386	L306-L325 HydrophobicContact CD1-CD1 3.62Å; E323-L325 HydrophobicContact CG-CD1 4.19Å; E323-L325 HydrophobicContact CG-CG 4.23Å; E323-L325 WeakPolarHBondContact OE2-CD2 3.41Å; L325-L377 HydrophobicContact CB-CB 4.07Å; L325-L377 HydrophobicContact CB-CD1 4.37Å; L325-L377 HydrophobicContact CD1-CB 3.56Å; L325-L377 HydrophobicContact CD1-CD1 3.89Å; L325-L377 HydrophobicContact CD1-CG 4.37Å; L325-L377 HydrophobicContact CG-CB 4.43Å; L325-N379 HydrophobicContact CD2-CB 4.38Å; L325-K386 HydrophobicContact CD1-CB 3.72Å; L325-K386 HydrophobicContact CD1-CG 3.71Å; L325-K386 HydrophobicContact CD2-CG 4.22Å
326	G	91	Very high	94	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	19%	0.186	C	C	.	.			trans	-79.9	-73.7	-168.1	0	0	0	0	0	113.6	R258 V378	R258-G326 PolarHBondContact NH2-O 3.45Å; G326-V378 WeakPolarHBondContact CA-O 3.36Å; G326-V378 PolarHBondContact N-O 2.97Å
327	L	92.5	Very high	93.8	Very high	39 Å²	39	36 Å²	36	20%	0.204	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160	-173.2	-59.5	175.1	0	0	0	110.1	E331 V332 K335 L377 V378	L327-E331 WeakPolarHBondContact CA-OE2 3.28Å; L327-E331 HydrophobicContact CB-CB 4.21Å; L327-E331 WeakPolarHBondContact CB-OE2 3.22Å; L327-E331 HydrophobicContact CD2-CB 4.48Å; L327-E331 WeakPolarHBondContact CD2-OE2 3.5Å; L327-V332 HydrophobicContact CB-CG2 4.13Å; L327-V332 HydrophobicContact CD1-CG2 4.3Å; L327-K335 HydrophobicContact CD1-CD 4.1Å; L327-L377 CarbonylContact O-C 3.59Å; L327-L377 WeakPolarHBondContact O-CA 3.34Å; L327-V378 WeakPolarHBondContact O-CG2 3.34Å; L327-V378 PolarHBondContact O-N 3.14Å
328	N	94.7	Very high	93.4	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	160.8	164.2	56.5	52.6	0	0	0	111.6	R330 E331 V332 D374 I376 L377	N328-R330 PolarHBondContact O-N 3.16Å; N328-R330 WeakPolarHBondContact OD1-CB 3.48Å; N328-R330 PolarHBondContact OD1-N 3.01Å; N328-E331 VanDerWaalsContact CG-CD 3.43Å; N328-E331 PolarHBondContact N-OE2 3.11Å; N328-E331 PolarHBondContact ND2-OE1 3.4Å; N328-E331 PolarHBondContact O-N 2.8Å; N328-E331 VanDerWaalsContact O-N 3.15Å; N328-E331 WeakPolarHBondContact OD1-CB 3.49Å; N328-E331 VanDerWaalsContact OD1-CG 3.23Å; N328-E331 WeakPolarHBondContact OD1-CG 3.43Å; N328-E331 PolarHBondContact OD1-N 3.45Å; N328-E331 PolarHBondContact OD1-OE1 3.19Å; N328-V332 WeakPolarHBondContact O-CG2 3.19Å; N328-V332 PolarHBondContact O-N 3.49Å; N328-D374 WeakPolarHBondContact CB-O 3.35Å; N328-I376 CarbonylContact C-O 3.59Å; N328-I376 VanDerWaalsContact CA-O 3.3Å; N328-I376 WeakPolarHBondContact CA-O 3.28Å; N328-L377 HydrophobicContact CB-CD2 4.01Å
329	L	95.9	Very high	92.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-22	-179.3	-70.5	179.8	0	0	0	113.1	V332 L333 Y350 P373 I376 V378 L437	L329-V332 HydrophobicContact CD2-CB 4.44Å; L329-V332 HydrophobicContact CD2-CG2 4.43Å; L329-V332 PolarHBondContact O-N 3.03Å; L329-L333 WeakPolarHBondContact O-CB 3.1Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 2.99Å; L329-Y350 HydrophobicContact CD1-CD2 4.49Å; L329-Y350 HydrophobicContact CD2-CD2 4.27Å; L329-Y350 HydrophobicContact CD2-CE2 3.66Å; L329-P373 WeakPolarHBondContact CA-O 3.47Å; L329-P373 HydrophobicContact CB-CB 4.04Å; L329-P373 WeakPolarHBondContact CB-O 3.31Å; L329-P373 PolarHBondContact N-O 3.45Å; L329-I376 HydrophobicContact CD1-CB 3.88Å; L329-I376 HydrophobicContact CD1-CD1 4.39Å; L329-I376 HydrophobicContact CD1-CG2 3.47Å; L329-I376 VanDerWaalsContact CD1-CG2 3.47Å; L329-I376 HydrophobicContact CG-CB 4.25Å; L329-I376 HydrophobicContact CG-CG2 3.99Å; L329-I376 PolarHBondContact N-O 2.99Å; L329-V378 HydrophobicContact CD2-CG1 3.52Å; L329-V378 HydrophobicContact CG-CG1 4.16Å; L329-L437 HydrophobicContact CB-CD2 3.91Å; L329-L437 HydrophobicContact CD1-CD1 3.75Å; L329-L437 HydrophobicContact CD1-CD2 3.91Å; L329-L437 HydrophobicContact CD1-CG 4.48Å; L329-L437 HydrophobicContact CG-CD2 4.4Å
330	R	94.1	Very high	92.6	Very high	37 Å²	37	51.8 Å²	51.8	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-48.5	169.2	178.3	72.3	63.7	-151.9	-7.6	111.7	N328 L333 R334 P373 D374 Y410 E436	N328-R330 PolarHBondContact O-N 3.16Å; N328-R330 WeakPolarHBondContact OD1-CB 3.48Å; N328-R330 PolarHBondContact OD1-N 3.01Å; R330-L333 PolarHBondContact O-N 3.43Å; R330-R334 WeakPolarHBondContact O-CG 3.33Å; R330-R334 PolarHBondContact O-N 3.09Å; R330-P373 HydrophobicContact CB-CB 4.26Å; R330-P373 PolarHBondContact N-O 3.43Å; R330-P373 VanDerWaalsContact N-O 3.17Å; R330-D374 HydrophobicContact CB-CB 4.49Å; R330-D374 WeakPolarHBondContact CB-OD1 3.43Å; R330-D374 VanDerWaalsContact CG-OD1 3.22Å; R330-D374 WeakPolarHBondContact CG-OD1 3.3Å; R330-D374 IonicContact CZ-OD1 3.05Å; R330-D374 IonicContact CZ-OD2 3.55Å; R330-D374 IonicContact NE-OD1 3.93Å; R330-D374 PolarHBondContact NE-OD1 3.47Å; R330-D374 IonicContact NE-OD2 3.8Å; R330-D374 PolarHBondContact NE-OD2 2.65Å; R330-D374 IonicContact NH2-OD1 2.82Å; R330-D374 IonicContact NH2-OD2 3.59Å; R330-D374 PolarHBondContact NH2-OD2 3.01Å; R330-Y410 PolarHBondContact NH2-OH 3.39Å; R330-E436 IonicContact CZ-OE1 3.18Å; R330-E436 IonicContact NH1-OE1 2.73Å; R330-E436 PolarHBondContact NH1-OE1 3.09Å; R330-E436 IonicContact NH1-OE2 3.98Å; R330-E436 IonicContact NH2-OE1 2.8Å
331	E	93.4	Very high	92.3	Very high	65 Å²	65	51.9 Å²	51.9	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-37.7	176.3	-75	152.4	-161	0	0	112.2	L327 N328 R334 K335	L327-E331 WeakPolarHBondContact CA-OE2 3.28Å; L327-E331 HydrophobicContact CB-CB 4.21Å; L327-E331 WeakPolarHBondContact CB-OE2 3.22Å; L327-E331 HydrophobicContact CD2-CB 4.48Å; L327-E331 WeakPolarHBondContact CD2-OE2 3.5Å; N328-E331 VanDerWaalsContact CG-CD 3.43Å; N328-E331 PolarHBondContact N-OE2 3.11Å; N328-E331 PolarHBondContact ND2-OE1 3.4Å; N328-E331 PolarHBondContact O-N 2.8Å; N328-E331 VanDerWaalsContact O-N 3.15Å; N328-E331 WeakPolarHBondContact OD1-CB 3.49Å; N328-E331 VanDerWaalsContact OD1-CG 3.23Å; N328-E331 WeakPolarHBondContact OD1-CG 3.43Å; N328-E331 PolarHBondContact OD1-N 3.45Å; N328-E331 PolarHBondContact OD1-OE1 3.19Å; E331-R334 PolarHBondContact O-N 2.93Å; E331-K335 WeakPolarHBondContact O-CG 3.42Å; E331-K335 PolarHBondContact O-N 3.06Å; E331-K335 VanDerWaalsContact O-N 3.07Å
332	V	94.3	Very high	92.2	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-51.5	173.1	177.6	0	0	0	0	109.9	L327 N328 L329 R334 K335 Y336 L342 V378	L327-V332 HydrophobicContact CB-CG2 4.13Å; L327-V332 HydrophobicContact CD1-CG2 4.3Å; N328-V332 WeakPolarHBondContact O-CG2 3.19Å; N328-V332 PolarHBondContact O-N 3.49Å; L329-V332 HydrophobicContact CD2-CB 4.44Å; L329-V332 HydrophobicContact CD2-CG2 4.43Å; L329-V332 PolarHBondContact O-N 3.03Å; V332-R334 PolarHBondContact O-N 3.07Å; V332-K335 PolarHBondContact O-N 3.41Å; V332-Y336 HydrophobicContact CG1-CD2 4.11Å; V332-Y336 HydrophobicContact CG1-CE2 3.95Å; V332-Y336 WeakPolarHBondContact O-CD2 3.48Å; V332-Y336 PolarHBondContact O-N 2.83Å; V332-L342 HydrophobicContact CG1-CD2 4.07Å; V332-V378 HydrophobicContact CG2-CG2 3.85Å
333	L	94.2	Very high	92.1	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-56.7	-45.7	176.1	-82.1	175.2	0	0	0	112.6	L329 R330 K335 Y336 G337 L342 E436 L437	L329-L333 WeakPolarHBondContact O-CB 3.1Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 2.99Å; R330-L333 PolarHBondContact O-N 3.43Å; L333-K335 PolarHBondContact O-N 3.38Å; L333-Y336 PolarHBondContact O-N 3.29Å; L333-Y336 VanDerWaalsContact O-N 3.11Å; L333-G337 PolarHBondContact O-N 2.88Å; L333-L342 HydrophobicContact CD2-CD2 4.36Å; L333-L342 HydrophobicContact CD2-CG 4.03Å; L333-E436 HydrophobicContact CD1-CG 4.01Å; L333-L437 HydrophobicContact CD1-CD2 4.02Å; L333-L437 HydrophobicContact CG-CD2 4.39Å
334	R	93.2	Very high	92	Very high	185 Å²	185	58 Å²	58	70%	0.698	27%	0.274	S	S	*	.	H	α-helix	trans	-56.8	-34.2	176	-74.9	172.8	177.8	166.6	0.7	112.7	R330 E331 V332 G337	R330-R334 WeakPolarHBondContact O-CG 3.33Å; R330-R334 PolarHBondContact O-N 3.09Å; E331-R334 PolarHBondContact O-N 2.93Å; V332-R334 PolarHBondContact O-N 3.07Å; R334-G337 PolarHBondContact O-N 3.43Å
335	K	92.5	Very high	91.9	Very high	151 Å²	151	61.1 Å²	61.1	66%	0.657	28%	0.284	S	S	*	.	H	α-helix	trans	-78.8	-21.1	178.1	-72.6	-179.5	-179.3	-176.4	0	114.6	L327 E331 V332 L333	L327-K335 HydrophobicContact CD1-CD 4.1Å; E331-K335 WeakPolarHBondContact O-CG 3.42Å; E331-K335 PolarHBondContact O-N 3.06Å; E331-K335 VanDerWaalsContact O-N 3.07Å; V332-K335 PolarHBondContact O-N 3.41Å; L333-K335 PolarHBondContact O-N 3.38Å
336	Y	90	Very high	91.9	Very high	128 Å²	128	62.1 Å²	62.1	50%	0.502	29%	0.294	S	S	.	.	H	α-helix	trans	-80.1	-19.9	170.6	-86.6	-100.5	0	0	0	112.9	V332 L333 L342	V332-Y336 HydrophobicContact CG1-CD2 4.11Å; V332-Y336 HydrophobicContact CG1-CE2 3.95Å; V332-Y336 WeakPolarHBondContact O-CD2 3.48Å; V332-Y336 PolarHBondContact O-N 2.83Å; L333-Y336 PolarHBondContact O-N 3.29Å; L333-Y336 VanDerWaalsContact O-N 3.11Å; Y336-L342 HydrophobicContact CD1-CD2 4.1Å; Y336-L342 HydrophobicContact CD2-CD2 3.39Å; Y336-L342 HydrophobicContact CE1-CD2 4.15Å; Y336-L342 HydrophobicContact CE2-CD2 3.44Å; Y336-L342 VanDerWaalsContact CE2-CD2 3.44Å; Y336-L342 HydrophobicContact CG-CD2 3.73Å
337	G	87.1	Confident	92.2	Very high	28 Å²	28	61.8 Å²	61.8	29%	0.289	29%	0.29	S	S	.	.			trans	107.1	161.2	178.9	0	0	0	0	0	113.2	L333 R334 E339	L333-G337 PolarHBondContact O-N 2.88Å; R334-G337 PolarHBondContact O-N 3.43Å; G337-E339 PolarHBondContact O-N 3.37Å
338	K	84.6	Confident	92.4	Very high	177 Å²	177	62.3 Å²	62.3	77%	0.77	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	124.9	-177.4	175.1	175.2	171.2	-173.5	0	110.5	V340	K338-V340 PolarHBondContact O-N 3.12Å
339	E	85.4	Confident	92.4	Very high	84 Å²	84	63.2 Å²	63.2	39%	0.393	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	21.3	174.5	-56.3	176.4	-142.9	0	0	114.9	G337 T439 R441	G337-E339 PolarHBondContact O-N 3.37Å; E339-T439 CarbonylContact C-O 3.46Å; E339-R441 HydrophobicContact CB-CG 4.22Å; E339-R441 HydrophobicContact CG-CG 3.71Å; E339-R441 IonicContact OE2-CZ 3.09Å; E339-R441 IonicContact OE2-NE 2.67Å; E339-R441 PolarHBondContact OE2-NE 2.98Å; E339-R441 IonicContact OE2-NH2 3.94Å; E339-R441 PolarHBondContact OE2-NH2 2.67Å
340	V	89.8	Confident	92.5	Very high	75 Å²	75	63.6 Å²	63.6	46%	0.455	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-45.1	172.9	179.1	0	0	0	0	111.3	K338	K338-V340 PolarHBondContact O-N 3.12Å
341	G	91.5	Very high	92.7	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.021	29%	0.293	C	S	.	.			trans	72.6	-161.3	-175.5	0	0	0	0	0	114	L437 Y438	G341-L437 CarbonylContact C-O 3.48Å; G341-Y438 WeakPolarHBondContact CA-O 3.27Å
342	L	93.9	Very high	92.9	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.042	30%	0.295	C	S	.	.			trans	-118.7	144.9	-177.2	-57	-177.8	0	0	0	111.3	V332 L333 Y336 V344 V347 Y350 L437 Y438	V332-L342 HydrophobicContact CG1-CD2 4.07Å; L333-L342 HydrophobicContact CD2-CD2 4.36Å; L333-L342 HydrophobicContact CD2-CG 4.03Å; Y336-L342 HydrophobicContact CD1-CD2 4.1Å; Y336-L342 HydrophobicContact CD2-CD2 3.39Å; Y336-L342 HydrophobicContact CE1-CD2 4.15Å; Y336-L342 HydrophobicContact CE2-CD2 3.44Å; Y336-L342 VanDerWaalsContact CE2-CD2 3.44Å; Y336-L342 HydrophobicContact CG-CD2 3.73Å; L342-V344 PolarHBondContact O-N 3.47Å; L342-V347 HydrophobicContact CB-CG2 3.98Å; L342-Y350 HydrophobicContact CD1-CD2 4.25Å; L342-Y350 HydrophobicContact CD1-CE2 3.8Å; L342-L437 WeakPolarHBondContact CB-O 3.36Å; L342-L437 HydrophobicContact CD1-CB 4.35Å; L342-L437 WeakPolarHBondContact CG-O 3.32Å; L342-L437 PolarHBondContact N-O 3.35Å; L342-Y438 WeakPolarHBondContact O-CD2 3.49Å
343	H	92.8	Very high	93	Very high	124 Å²	124	62.7 Å²	62.7	57%	0.574	30%	0.297	S	S	*	.			trans	-55.2	137.4	177.8	-174.3	-106.2	0	0	0	112.4	K345 A346 V347	H343-K345 PolarHBondContact O-N 3.25Å; H343-A346 WeakPolarHBondContact O-CA 3.42Å; H343-A346 WeakPolarHBondContact O-CB 3.4Å; H343-A346 PolarHBondContact O-N 2.9Å; H343-V347 PolarHBondContact O-N 3.37Å
344	V	93	Very high	93.2	Very high	11 Å²	11	62 Å²	62	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-55.5	-33.2	-169.3	69.3	0	0	0	0	114	L342 A346 V347 R348 Y438 K527 F557	L342-V344 PolarHBondContact O-N 3.47Å; V344-A346 VanDerWaalsContact C-N 3.33Å; V344-A346 PolarHBondContact O-N 3.44Å; V344-V347 PolarHBondContact O-N 3.17Å; V344-R348 PolarHBondContact O-N 3.39Å; V344-Y438 HydrophobicContact CB-CD2 4.4Å; V344-Y438 HydrophobicContact CB-CE2 4.03Å; V344-Y438 HydrophobicContact CG2-CE2 4.45Å; V344-K527 HydrophobicContact CG1-CB 4.23Å; V344-K527 HydrophobicContact CG2-CB 3.83Å; V344-F557 HydrophobicContact CG2-CE2 3.91Å; V344-F557 HydrophobicContact CG2-CZ 4.41Å
345	K	92.6	Very high	93.4	Very high	102 Å²	102	53.4 Å²	53.4	44%	0.443	26%	0.261	S	S	.	.	H	α-helix	trans	-65.9	-31.7	176.5	-63.7	-173.4	177.2	-176.2	0	112.6	H343 S349 E523	H343-K345 PolarHBondContact O-N 3.25Å; K345-S349 PolarHBondContact O-N 2.99Å; K345-E523 WeakPolarHBondContact CE-OE1 3.46Å; K345-E523 IonicContact NZ-OE1 2.75Å; K345-E523 PolarHBondContact NZ-OE1 2.9Å
346	A	94.5	Very high	93.7	Very high	35 Å²	35	48 Å²	48	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-74.4	-43	172.7	0	0	0	0	0	111.6	H343 V344 R348 S349 Y350	H343-A346 WeakPolarHBondContact O-CA 3.42Å; H343-A346 WeakPolarHBondContact O-CB 3.4Å; H343-A346 PolarHBondContact O-N 2.9Å; V344-A346 VanDerWaalsContact C-N 3.33Å; V344-A346 PolarHBondContact O-N 3.44Å; A346-R348 VanDerWaalsContact C-N 3.31Å; A346-R348 PolarHBondContact O-N 3.48Å; A346-S349 WeakPolarHBondContact O-CB 3.47Å; A346-S349 PolarHBondContact O-N 3.18Å; A346-S349 VanDerWaalsContact O-N 3.15Å; A346-Y350 PolarHBondContact O-N 3.44Å
347	V	96.2	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-40.5	175.8	-178	0	0	0	0	111.3	L342 H343 V344 Y350 T351 M434 L437 Y438 F557	L342-V347 HydrophobicContact CB-CG2 3.98Å; H343-V347 PolarHBondContact O-N 3.37Å; V344-V347 PolarHBondContact O-N 3.17Å; V347-Y350 PolarHBondContact O-N 3.11Å; V347-T351 WeakPolarHBondContact O-CB 3.35Å; V347-T351 PolarHBondContact O-N 2.84Å; V347-T351 PolarHBondContact O-OG1 3.15Å; V347-M434 HydrophobicContact CG1-CB 4.44Å; V347-L437 HydrophobicContact CG2-CB 4.3Å; V347-Y438 HydrophobicContact CG2-CD2 4.2Å; V347-F557 HydrophobicContact CG1-CZ 4.37Å
348	R	95.9	Very high	94.6	Very high	51 Å²	51	41 Å²	41	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-49.7	172.3	-178.1	177.6	79	85.4	-1.9	112.1	V344 A346 T351 H352 F557 V558 E560	V344-R348 PolarHBondContact O-N 3.39Å; A346-R348 VanDerWaalsContact C-N 3.31Å; A346-R348 PolarHBondContact O-N 3.48Å; R348-T351 WeakPolarHBondContact O-CB 3.29Å; R348-T351 PolarHBondContact O-N 2.77Å; R348-H352 PolarHBondContact O-N 2.66Å; R348-F557 HydrophobicContact CB-CE1 4.28Å; R348-F557 HydrophobicContact CB-CE2 4.26Å; R348-F557 HydrophobicContact CB-CZ 3.87Å; R348-F557 WeakPolarHBondContact CD-O 3.35Å; R348-F557 WeakPolarHBondContact CG-O 3.46Å; R348-V558 PolarHBondContact NH1-O 3.01Å; R348-E560 WeakPolarHBondContact CD-O 3.27Å
349	S	96.1	Very high	95.2	Very high	46 Å²	46	36.3 Å²	36.3	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-58.7	-49.1	178.5	-175.3	0	0	0	0	111.4	K345 A346 T351 H352 Q353	K345-S349 PolarHBondContact O-N 2.99Å; A346-S349 WeakPolarHBondContact O-CB 3.47Å; A346-S349 PolarHBondContact O-N 3.18Å; A346-S349 VanDerWaalsContact O-N 3.15Å; S349-T351 VanDerWaalsContact C-N 3.34Å; S349-T351 PolarHBondContact O-N 2.99Å; S349-H352 PolarHBondContact O-N 2.87Å; S349-Q353 VanDerWaalsContact O-CG 3.29Å; S349-Q353 WeakPolarHBondContact O-CG 3.5Å; S349-Q353 PolarHBondContact O-N 3.32Å; S349-Q353 PolarHBondContact OG-NE2 2.99Å
350	Y	97.6	Very high	95.8	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-35.7	177.4	-65.5	-23	0	0	0	113	L329 L342 A346 V347 Q353 L354 V378 K382 L385 L437	L329-Y350 HydrophobicContact CD1-CD2 4.49Å; L329-Y350 HydrophobicContact CD2-CD2 4.27Å; L329-Y350 HydrophobicContact CD2-CE2 3.66Å; L342-Y350 HydrophobicContact CD1-CD2 4.25Å; L342-Y350 HydrophobicContact CD1-CE2 3.8Å; A346-Y350 PolarHBondContact O-N 3.44Å; V347-Y350 PolarHBondContact O-N 3.11Å; Y350-Q353 PolarHBondContact O-N 3.01Å; Y350-L354 VanDerWaalsContact O-CB 3.3Å; Y350-L354 WeakPolarHBondContact O-CB 3.47Å; Y350-L354 PolarHBondContact O-N 2.88Å; Y350-V378 HydrophobicContact CE1-CG1 4.17Å; Y350-K382 PolarHBondContact OH-O 3Å; Y350-L385 HydrophobicContact CD1-CB 4.38Å; Y350-L385 HydrophobicContact CD1-CD2 3.77Å; Y350-L385 HydrophobicContact CD1-CG 4.4Å; Y350-L385 HydrophobicContact CG-CD2 3.93Å; Y350-L437 HydrophobicContact CD2-CD1 3.93Å
351	T	97.6	Very high	96.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-49.3	173.4	-56.5	0	0	0	0	110.6	V347 R348 S349 Q353 L354 L355 M434 F534 F557 V558	V347-T351 WeakPolarHBondContact O-CB 3.35Å; V347-T351 PolarHBondContact O-N 2.84Å; V347-T351 PolarHBondContact O-OG1 3.15Å; R348-T351 WeakPolarHBondContact O-CB 3.29Å; R348-T351 PolarHBondContact O-N 2.77Å; S349-T351 VanDerWaalsContact C-N 3.34Å; S349-T351 PolarHBondContact O-N 2.99Å; T351-Q353 PolarHBondContact O-N 3.1Å; T351-L354 PolarHBondContact O-N 3.05Å; T351-L355 HydrophobicContact CG2-CD1 3.88Å; T351-L355 HydrophobicContact CG2-CG 4.39Å; T351-L355 WeakPolarHBondContact O-CB 3.49Å; T351-L355 WeakPolarHBondContact O-CG 3.23Å; T351-L355 PolarHBondContact O-N 2.86Å; T351-M434 HydrophobicContact CG2-CG 4.32Å; T351-M434 WeakPolarHBondContact OG1-CG 3.4Å; T351-M434 PolarHBondContact OG1-SD 3.35Å; T351-F534 HydrophobicContact CG2-CE1 3.79Å; T351-F534 HydrophobicContact CG2-CE2 4.43Å; T351-F534 HydrophobicContact CG2-CZ 3.74Å; T351-F557 HydrophobicContact CG2-CD1 4.41Å; T351-F557 HydrophobicContact CG2-CE1 4.32Å; T351-V558 HydrophobicContact CG2-CG2 3.93Å
352	H	97.3	Very high	96.4	Very high	74 Å²	74	34.7 Å²	34.7	34%	0.343	16%	0.164	S	C	.	.	H	α-helix	trans	-58.3	-48.3	177.1	179.7	-96.7	0	0	0	112.1	R348 S349 L355 M356 V558	R348-H352 PolarHBondContact O-N 2.66Å; S349-H352 PolarHBondContact O-N 2.87Å; H352-L355 PolarHBondContact O-N 3.09Å; H352-M356 WeakPolarHBondContact NE2-CE 3.3Å; H352-M356 WeakPolarHBondContact O-CG 3.35Å; H352-M356 PolarHBondContact O-N 3.43Å; H352-V558 HydrophobicContact CB-CG1 3.91Å
353	Q	97.6	Very high	96.5	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-41.3	-177.9	-66.1	-179.7	54.9	0	0	112.4	H304 S349 Y350 T351 M356 A357 L383 V384 L385	H304-Q353 VanDerWaalsContact CE1-CG 3.43Å; H304-Q353 WeakPolarHBondContact CE1-CG 3.44Å; H304-Q353 PolarHBondContact CE1-OE1 2.79Å; H304-Q353 PolarHBondContact ND1-OE1 2.89Å; H304-Q353 VanDerWaalsContact ND1-OE1 3.14Å; S349-Q353 VanDerWaalsContact O-CG 3.29Å; S349-Q353 WeakPolarHBondContact O-CG 3.5Å; S349-Q353 PolarHBondContact O-N 3.32Å; S349-Q353 PolarHBondContact OG-NE2 2.99Å; Y350-Q353 PolarHBondContact O-N 3.01Å; T351-Q353 PolarHBondContact O-N 3.1Å; Q353-M356 WeakPolarHBondContact O-CB 3.36Å; Q353-M356 PolarHBondContact O-N 3.13Å; Q353-A357 PolarHBondContact O-N 3.14Å; Q353-A357 VanDerWaalsContact O-N 3.12Å; Q353-L383 PolarHBondContact NE2-O 3.32Å; Q353-V384 VanDerWaalsContact OE1-CA 3.32Å; Q353-L385 HydrophobicContact CB-CD1 3.98Å; Q353-L385 HydrophobicContact CB-CD2 4.04Å; Q353-L385 HydrophobicContact CB-CG 3.71Å
354	L	98.1	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-39.3	177.3	-174.1	60.2	0	0	0	111.9	Y350 T351 M356 A357 L358 I371 I376 L387 A430 M434	Y350-L354 VanDerWaalsContact O-CB 3.3Å; Y350-L354 WeakPolarHBondContact O-CB 3.47Å; Y350-L354 PolarHBondContact O-N 2.88Å; T351-L354 PolarHBondContact O-N 3.05Å; L354-M356 PolarHBondContact O-N 3.45Å; L354-A357 WeakPolarHBondContact O-CB 3.04Å; L354-A357 PolarHBondContact O-N 3.49Å; L354-A357 VanDerWaalsContact O-N 3.1Å; L354-L358 WeakPolarHBondContact O-CG 3.43Å; L354-L358 PolarHBondContact O-N 3.47Å; L354-I371 HydrophobicContact CD1-CG2 4.43Å; L354-I371 HydrophobicContact CD2-CG2 4.4Å; L354-I376 HydrophobicContact CD1-CD1 4.04Å; L354-I376 HydrophobicContact CD2-CD1 3.97Å; L354-L387 HydrophobicContact CD1-CD1 4.28Å; L354-L387 HydrophobicContact CD1-CD2 4.43Å; L354-A430 HydrophobicContact CD2-CB 3.58Å; L354-A430 HydrophobicContact CG-CB 4.13Å; L354-M434 HydrophobicContact CD2-CE 3.63Å
355	L	98.1	Very high	96.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-29.6	173	-68.3	170.9	0	0	0	112.4	T351 H352 L358 K359 L427 F534 L549 C552 L553 V558	T351-L355 HydrophobicContact CG2-CD1 3.88Å; T351-L355 HydrophobicContact CG2-CG 4.39Å; T351-L355 WeakPolarHBondContact O-CB 3.49Å; T351-L355 WeakPolarHBondContact O-CG 3.23Å; T351-L355 PolarHBondContact O-N 2.86Å; H352-L355 PolarHBondContact O-N 3.09Å; L355-L358 HydrophobicContact CD2-CD1 4.37Å; L355-K359 PolarHBondContact O-N 3.44Å; L355-K359 VanDerWaalsContact O-N 3.14Å; L355-L427 HydrophobicContact CD2-CD1 3.62Å; L355-F534 HydrophobicContact CD1-CE2 4.16Å; L355-F534 HydrophobicContact CD1-CZ 4.04Å; L355-F534 HydrophobicContact CD2-CZ 4.35Å; L355-L549 HydrophobicContact CB-CD1 4.24Å; L355-L549 HydrophobicContact CD2-CD1 3.66Å; L355-C552 HydrophobicContact CD1-CB 4.07Å; L355-C552 HydrophobicContact CD2-CB 3.87Å; L355-L553 HydrophobicContact CB-CD2 3.45Å; L355-L553 VanDerWaalsContact CB-CD2 3.45Å; L355-L553 HydrophobicContact CB-CG 4.02Å; L355-L553 HydrophobicContact CD1-CD2 4.08Å; L355-L553 HydrophobicContact CD1-CG 4.49Å; L355-L553 HydrophobicContact CG-CD2 4.42Å; L355-V558 HydrophobicContact CD1-CG2 4.12Å
356	M	97.8	Very high	97.1	Very high	36 Å²	36	33.4 Å²	33.4	18%	0.177	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-38.8	170.2	-72.8	-63.4	174.5	0	0	112.3	F303 H352 Q353 L354 K359 L360 L553	F303-M356 HydrophobicContact CD1-CB 4.13Å; F303-M356 WeakPolarHBondContact CD1-O 3.43Å; F303-M356 HydrophobicContact CD1-SD 4.1Å; F303-M356 HydrophobicContact CE1-SD 4.04Å; H352-M356 WeakPolarHBondContact NE2-CE 3.3Å; H352-M356 WeakPolarHBondContact O-CG 3.35Å; H352-M356 PolarHBondContact O-N 3.43Å; Q353-M356 WeakPolarHBondContact O-CB 3.36Å; Q353-M356 PolarHBondContact O-N 3.13Å; L354-M356 PolarHBondContact O-N 3.45Å; M356-K359 WeakPolarHBondContact O-CA 3.12Å; M356-K359 WeakPolarHBondContact O-CB 3.36Å; M356-K359 PolarHBondContact O-N 3.33Å; M356-K359 HydrophobicContact SD-CD 4.2Å; M356-L360 PolarHBondContact O-N 2.88Å; M356-L360 VanDerWaalsContact O-N 3.16Å; M356-L553 HydrophobicContact CE-CD1 4.11Å; M356-L553 HydrophobicContact CE-CD2 3.9Å; M356-L553 HydrophobicContact SD-CD1 4.26Å; M356-L553 HydrophobicContact SD-CD2 4.44Å
357	A	98.2	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-44.4	171.8	0	0	0	0	0	112.4	F303 H304 Q353 L354 K359 L360 L361 L387	F303-A357 WeakPolarHBondContact O-CA 3.43Å; F303-A357 WeakPolarHBondContact O-CB 3.33Å; F303-A357 PolarHBondContact O-N 3.04Å; H304-A357 HydrophobicContact CB-CB 4.48Å; Q353-A357 PolarHBondContact O-N 3.14Å; Q353-A357 VanDerWaalsContact O-N 3.12Å; L354-A357 WeakPolarHBondContact O-CB 3.04Å; L354-A357 PolarHBondContact O-N 3.49Å; L354-A357 VanDerWaalsContact O-N 3.1Å; A357-K359 PolarHBondContact O-N 2.85Å; A357-L360 PolarHBondContact O-N 2.78Å; A357-L361 WeakPolarHBondContact O-CG 3.37Å; A357-L361 PolarHBondContact O-N 3.29Å; A357-L387 HydrophobicContact CB-CB 4.14Å; A357-L387 HydrophobicContact CB-CD2 3.99Å
358	L	98.1	Very high	97.2	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-29	172.4	-60.8	-169.5	0	0	0	112.7	L354 L355 L361 R362 I371 D426 L427 A430 L549	L354-L358 WeakPolarHBondContact O-CG 3.43Å; L354-L358 PolarHBondContact O-N 3.47Å; L355-L358 HydrophobicContact CD2-CD1 4.37Å; L358-L361 HydrophobicContact CD2-CD1 4.15Å; L358-R362 WeakPolarHBondContact O-CB 3.27Å; L358-R362 PolarHBondContact O-N 3.08Å; L358-I371 HydrophobicContact CD2-CD1 3.55Å; L358-D426 HydrophobicContact CD2-CB 3.71Å; L358-L427 HydrophobicContact CD1-CB 4.14Å; L358-L427 HydrophobicContact CD1-CD1 3.76Å; L358-A430 HydrophobicContact CD1-CB 4.17Å; L358-L549 HydrophobicContact CB-CD1 3.89Å; L358-L549 HydrophobicContact CB-CD2 3.89Å; L358-L549 HydrophobicContact CD1-CD1 4.27Å
359	K	97.5	Very high	97.1	Very high	78 Å²	78	29.4 Å²	29.4	34%	0.339	14%	0.139	S	C	.	.	H	α-helix	trans	-74.9	-35.8	-179.4	-171.5	167.2	178	168.6	0	112.1	F303 L355 M356 A357 K363 L549 L553	F303-K359 HydrophobicContact CD1-CB 4.46Å; F303-K359 HydrophobicContact CE1-CB 4.5Å; F303-K359 HydrophobicContact CE1-CD 4.27Å; F303-K359 HydrophobicContact CE1-CG 4.32Å; L355-K359 PolarHBondContact O-N 3.44Å; L355-K359 VanDerWaalsContact O-N 3.14Å; M356-K359 WeakPolarHBondContact O-CA 3.12Å; M356-K359 WeakPolarHBondContact O-CB 3.36Å; M356-K359 PolarHBondContact O-N 3.33Å; M356-K359 HydrophobicContact SD-CD 4.2Å; A357-K359 PolarHBondContact O-N 2.85Å; K359-K363 WeakPolarHBondContact O-CB 3.37Å; K359-K363 PolarHBondContact O-N 2.75Å; K359-K363 VanDerWaalsContact O-N 3.08Å; K359-L549 VanDerWaalsContact CA-CD2 3.48Å; K359-L549 HydrophobicContact CB-CD2 3.86Å; K359-L549 HydrophobicContact CG-CD2 4.48Å; K359-L553 HydrophobicContact CD-CD1 3.73Å
360	L	97.7	Very high	97.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-70.4	-45.4	170.2	-178.1	65.1	0	0	0	111.4	L294 D298 F303 C305 M356 A357 R362 K363 C364	L294-L360 HydrophobicContact CB-CD2 4.11Å; L294-L360 HydrophobicContact CD2-CD2 3.82Å; L294-L360 HydrophobicContact CD2-CG 3.71Å; D298-L360 HydrophobicContact CB-CD1 4.09Å; D298-L360 HydrophobicContact CB-CD2 3.85Å; F303-L360 HydrophobicContact CB-CB 3.57Å; F303-L360 HydrophobicContact CB-CD2 3.94Å; F303-L360 HydrophobicContact CB-CG 4.26Å; F303-L360 HydrophobicContact CD1-CB 4.48Å; F303-L360 HydrophobicContact CD2-CB 4.35Å; F303-L360 HydrophobicContact CD2-CD1 4.28Å; F303-L360 HydrophobicContact CG-CB 3.91Å; C305-L360 HydrophobicContact CB-CD2 4.3Å; M356-L360 PolarHBondContact O-N 2.88Å; M356-L360 VanDerWaalsContact O-N 3.16Å; A357-L360 PolarHBondContact O-N 2.78Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-R362 PolarHBondContact O-N 2.96Å; L360-K363 HydrophobicContact CD1-CD 4.23Å; L360-K363 WeakPolarHBondContact O-CB 3.48Å; L360-K363 PolarHBondContact O-N 3.12Å; L360-C364 PolarHBondContact O-N 3.05Å; L360-C364 PolarHBondContact O-SG 3.44Å; L360-C364 VanDerWaalsContact O-SG 3.36Å
361	L	97.7	Very high	97.1	Very high	2 Å²	2	27 Å²	27	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-55.7	-48.5	177.3	-70.3	166.8	0	0	0	111.5	L294 A357 L358 K363 C364 N365 I366 H368 L387 F390	L294-L361 HydrophobicContact CD1-CD2 4.06Å; L294-L361 HydrophobicContact CD2-CD2 3.9Å; A357-L361 WeakPolarHBondContact O-CG 3.37Å; A357-L361 PolarHBondContact O-N 3.29Å; L358-L361 HydrophobicContact CD2-CD1 4.15Å; L361-K363 PolarHBondContact O-N 3.48Å; L361-C364 CarbonylContact O-C 3.26Å; L361-C364 PolarHBondContact O-N 3.5Å; L361-C364 VanDerWaalsContact O-N 3.17Å; L361-N365 PolarHBondContact O-N 2.81Å; L361-I366 HydrophobicContact CD2-CB 3.89Å; L361-I366 HydrophobicContact CD2-CG2 3.55Å; L361-I366 PolarHBondContact O-N 2.84Å; L361-H368 HydrophobicContact CD1-CB 4.05Å; L361-L387 HydrophobicContact CD1-CD2 3.7Å; L361-F390 HydrophobicContact CD2-CD1 4.41Å; L361-F390 HydrophobicContact CD2-CE1 3.91Å
362	R	96.6	Very high	97.1	Very high	123 Å²	123	27.9 Å²	27.9	46%	0.464	13%	0.127	S	C	.	.	H	α-helix	trans	-64.2	-35.8	175	-175.6	173.1	175.7	174.1	1.1	113.5	L358 L360 C364 N365 Y423	L358-R362 WeakPolarHBondContact O-CB 3.27Å; L358-R362 PolarHBondContact O-N 3.08Å; L360-R362 VanDerWaalsContact C-N 3.34Å; L360-R362 PolarHBondContact O-N 2.96Å; R362-C364 VanDerWaalsContact C-N 3.29Å; R362-C364 PolarHBondContact O-N 2.88Å; R362-N365 PolarHBondContact O-N 3.02Å; R362-Y423 HydrophobicContact CB-CD1 3.98Å; R362-Y423 HydrophobicContact CB-CE1 4.2Å; R362-Y423 HydrophobicContact CB-CG 4.27Å; R362-Y423 HydrophobicContact CG-CD1 4.06Å; R362-Y423 HydrophobicContact CG-CD2 4.01Å; R362-Y423 HydrophobicContact CG-CE1 4.13Å; R362-Y423 HydrophobicContact CG-CE2 4.06Å; R362-Y423 HydrophobicContact CG-CG 4Å
363	K	96.3	Very high	97	Very high	127 Å²	127	24.4 Å²	24.4	55%	0.552	11%	0.11	S	C	*	.	H	α-helix	trans	-62.4	-37.3	173.4	174.5	-169.7	167.3	-170.3	0	111.5	S297 K359 L360 L361	S297-K363 PolarHBondContact O-NZ 2.74Å; K359-K363 WeakPolarHBondContact O-CB 3.37Å; K359-K363 PolarHBondContact O-N 2.75Å; K359-K363 VanDerWaalsContact O-N 3.08Å; L360-K363 HydrophobicContact CD1-CD 4.23Å; L360-K363 WeakPolarHBondContact O-CB 3.48Å; L360-K363 PolarHBondContact O-N 3.12Å; L361-K363 PolarHBondContact O-N 3.48Å
364	C	96.6	Very high	96.8	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.074	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.8	-179.3	-60.2	0	0	0	0	113.6	L293 L294 S297 L360 L361 R362 I366	L293-C364 HydrophobicContact CD2-CB 4.46Å; L293-C364 HydrophobicContact CG-CB 4.42Å; L294-C364 HydrophobicContact CD2-CB 4.29Å; S297-C364 WeakPolarHBondContact CB-SG 3.44Å; S297-C364 PolarHBondContact OG-SG 3.24Å; L360-C364 PolarHBondContact O-N 3.05Å; L360-C364 PolarHBondContact O-SG 3.44Å; L360-C364 VanDerWaalsContact O-SG 3.36Å; L361-C364 CarbonylContact O-C 3.26Å; L361-C364 PolarHBondContact O-N 3.5Å; L361-C364 VanDerWaalsContact O-N 3.17Å; R362-C364 VanDerWaalsContact C-N 3.29Å; R362-C364 PolarHBondContact O-N 2.88Å; C364-I366 VanDerWaalsContact C-N 3.25Å; C364-I366 HydrophobicContact CB-CD1 3.68Å; C364-I366 HydrophobicContact CB-CG1 4.18Å; C364-I366 PolarHBondContact O-N 3.48Å
365	N	96.9	Very high	96.7	Very high	73 Å²	73	26.9 Å²	26.9	39%	0.39	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	31.1	-175.3	-55	-69.6	0	0	0	115.1	L361 R362 H395 V396 Y423	L361-N365 PolarHBondContact O-N 2.81Å; R362-N365 PolarHBondContact O-N 3.02Å; N365-H395 VanDerWaalsContact CB-NE2 3.29Å; N365-H395 WeakPolarHBondContact CB-NE2 3.34Å; N365-H395 CarbonylContact O-C 3.12Å; N365-H395 WeakPolarHBondContact O-CA 3.36Å; N365-H395 PolarHBondContact O-CD2 3.35Å; N365-H395 VanDerWaalsContact O-CD2 3.23Å; N365-V396 HydrophobicContact CB-CG1 4.05Å; N365-V396 PolarHBondContact O-N 2.96Å; N365-Y423 WeakPolarHBondContact CA-OH 3.21Å; N365-Y423 PolarHBondContact OD1-OH 3.16Å; N365-Y423 VanDerWaalsContact OD1-OH 3.12Å
366	I	96.9	Very high	96.7	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.7	178.6	-65.2	157.6	0	0	0	110.1	T290 L293 L294 L361 C364 A393 C394	T290-I366 HydrophobicContact CG2-CD1 3.85Å; T290-I366 HydrophobicContact CG2-CG1 4.47Å; T290-I366 HydrophobicContact CG2-CG2 4.17Å; L293-I366 HydrophobicContact CD2-CD1 4.18Å; L294-I366 HydrophobicContact CD1-CD1 4.37Å; L294-I366 HydrophobicContact CD2-CD1 3.74Å; L294-I366 HydrophobicContact CG-CD1 3.88Å; L361-I366 HydrophobicContact CD2-CB 3.89Å; L361-I366 HydrophobicContact CD2-CG2 3.55Å; L361-I366 PolarHBondContact O-N 2.84Å; C364-I366 VanDerWaalsContact C-N 3.25Å; C364-I366 HydrophobicContact CB-CD1 3.68Å; C364-I366 HydrophobicContact CB-CG1 4.18Å; C364-I366 PolarHBondContact O-N 3.48Å; I366-A393 HydrophobicContact CG2-CB 4.12Å; I366-C394 WeakPolarHBondContact CA-O 3.28Å
367	L	96.4	Very high	96.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.1	159.7	-54.5	-179.8	0	0	0	108.7	A393 C394 V396 A399 Y421 Y423 I425 D426	L367-A393 VanDerWaalsContact O-CA 3.22Å; L367-A393 WeakPolarHBondContact O-CA 3.46Å; L367-A393 WeakPolarHBondContact O-CB 3.32Å; L367-C394 PolarHBondContact N-O 2.97Å; L367-C394 PolarHBondContact O-N 3.32Å; L367-C394 VanDerWaalsContact O-N 3.16Å; L367-V396 HydrophobicContact CD2-CG2 4.42Å; L367-A399 HydrophobicContact CD1-CB 4.14Å; L367-Y421 HydrophobicContact CD1-CD2 3.98Å; L367-Y421 HydrophobicContact CD1-CE2 3.74Å; L367-Y423 HydrophobicContact CD2-CD1 3.59Å; L367-Y423 HydrophobicContact CD2-CE1 4.03Å; L367-Y423 HydrophobicContact CD2-CG 4.12Å; L367-I425 HydrophobicContact CD1-CD1 4.41Å; L367-D426 WeakPolarHBondContact CA-OD2 3.49Å
368	H	96.6	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.			trans	-75.5	-43.2	177.4	-170.7	-86.3	0	0	0	111.4	L361 D370 I371 C388 F390 D426	L361-H368 HydrophobicContact CD1-CB 4.05Å; H368-D370 PolarHBondContact CE1-O 3.37Å; H368-D370 PolarHBondContact ND1-N 3.44Å; H368-D370 PolarHBondContact ND1-O 2.98Å; H368-D370 PolarHBondContact O-N 2.9Å; H368-D370 VanDerWaalsContact O-N 3.08Å; H368-I371 HydrophobicContact CB-CD1 3.97Å; H368-I371 HydrophobicContact CB-CG1 3.76Å; H368-I371 WeakPolarHBondContact ND1-CG1 3.31Å; H368-C388 PolarHBondContact CE1-O 3.5Å; H368-C388 PolarHBondContact NE2-O 3.28Å; H368-F390 AromaticContact CD2-CD1 3.51Å; H368-F390 AromaticContact CD2-CE1 3.45Å; H368-F390 VanDerWaalsContact CD2-CE1 3.45Å; H368-F390 WeakPolarHBondContact CD2-CE1 3.18Å; H368-F390 AromaticContact NE2-CD1 3.89Å; H368-F390 AromaticContact NE2-CE1 3.9Å; H368-D426 WeakPolarHBondContact CB-OD1 3.3Å; H368-D426 PolarHBondContact N-OD1 2.8Å; H368-D426 PolarHBondContact N-OD2 2.97Å
369	G	94.4	Very high	96.4	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	13%	0.13	C	C	.	.			trans	74.6	-6.5	171.1	0	0	0	0	0	115.9	V406 D426	G369-V406 WeakPolarHBondContact O-CA 3.38Å; G369-V406 WeakPolarHBondContact O-CG2 3.36Å; G369-V406 PolarHBondContact O-N 2.72Å; G369-V406 VanDerWaalsContact O-N 3.08Å; G369-D426 PolarHBondContact N-OD1 3.19Å
370	D	95.4	Very high	96.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.143	C	C	.	.			trans	-151.4	58.2	174	-164.3	36.9	0	0	0	113.7	H368 K372 N375 S407	H368-D370 PolarHBondContact CE1-O 3.37Å; H368-D370 PolarHBondContact ND1-N 3.44Å; H368-D370 PolarHBondContact ND1-O 2.98Å; H368-D370 PolarHBondContact O-N 2.9Å; H368-D370 VanDerWaalsContact O-N 3.08Å; D370-K372 IonicContact OD1-NZ 3.53Å; D370-K372 PolarHBondContact OD1-NZ 3.45Å; D370-K372 WeakPolarHBondContact OD2-CE 3.48Å; D370-K372 IonicContact OD2-NZ 3.63Å; D370-K372 PolarHBondContact OD2-NZ 3.45Å; D370-N375 PolarHBondContact O-ND2 3.38Å; D370-N375 PolarHBondContact OD2-ND2 2.75Å; D370-S407 VanDerWaalsContact OD1-CB 3.23Å; D370-S407 WeakPolarHBondContact OD1-CB 3.32Å; D370-S407 PolarHBondContact OD1-N 2.53Å; D370-S407 PolarHBondContact OD1-OG 2.65Å
371	I	97.7	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.			trans	-83.7	124.3	177.8	-57.4	-173.8	0	0	0	110.9	L354 L358 H368 I376 L387 D426	L354-I371 HydrophobicContact CD1-CG2 4.43Å; L354-I371 HydrophobicContact CD2-CG2 4.4Å; L358-I371 HydrophobicContact CD2-CD1 3.55Å; H368-I371 HydrophobicContact CB-CD1 3.97Å; H368-I371 HydrophobicContact CB-CG1 3.76Å; H368-I371 WeakPolarHBondContact ND1-CG1 3.31Å; I371-I376 HydrophobicContact CG2-CD1 4.21Å; I371-L387 HydrophobicContact CD1-CD1 4.46Å; I371-L387 HydrophobicContact CD1-CD2 4.18Å; I371-L387 HydrophobicContact CG1-CD1 4.17Å; I371-L387 HydrophobicContact CG2-CD1 4.38Å; I371-D426 HydrophobicContact CD1-CB 3.71Å
372	K	96.4	Very high	95.7	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.096	18%	0.179	C	C	.	.	S	Bend	trans	-163	165.3	-179.3	64.4	-161.3	-171.6	-154.4	0	111	D370 D374 N375 I376 S407 Y410	D370-K372 IonicContact OD1-NZ 3.53Å; D370-K372 PolarHBondContact OD1-NZ 3.45Å; D370-K372 WeakPolarHBondContact OD2-CE 3.48Å; D370-K372 IonicContact OD2-NZ 3.63Å; D370-K372 PolarHBondContact OD2-NZ 3.45Å; K372-D374 HydrophobicContact CD-CB 4.46Å; K372-D374 HydrophobicContact CG-CB 4.07Å; K372-D374 PolarHBondContact O-N 3.08Å; K372-D374 VanDerWaalsContact O-N 3.1Å; K372-N375 WeakPolarHBondContact CE-OD1 3.3Å; K372-N375 HydrophobicContact CG-CB 4.08Å; K372-N375 PolarHBondContact O-N 2.89Å; K372-I376 PolarHBondContact O-N 3.15Å; K372-S407 WeakPolarHBondContact CD-OG 3.49Å; K372-S407 PolarHBondContact NZ-OG 3.08Å; K372-Y410 HydrophobicContact CB-CD1 4.21Å; K372-Y410 HydrophobicContact CB-CD2 3.63Å; K372-Y410 HydrophobicContact CB-CE1 4.14Å; K372-Y410 HydrophobicContact CB-CE2 3.53Å; K372-Y410 HydrophobicContact CB-CG 4Å; K372-Y410 HydrophobicContact CD-CE2 4.48Å
373	P	96.3	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-56.1	-27.6	179.4	-23.3	31	0	0	0	114.9	L329 R330 N375 Y410 T433 E436	L329-P373 WeakPolarHBondContact CA-O 3.47Å; L329-P373 HydrophobicContact CB-CB 4.04Å; L329-P373 WeakPolarHBondContact CB-O 3.31Å; L329-P373 PolarHBondContact N-O 3.45Å; R330-P373 HydrophobicContact CB-CB 4.26Å; R330-P373 PolarHBondContact N-O 3.43Å; R330-P373 VanDerWaalsContact N-O 3.17Å; P373-N375 VanDerWaalsContact C-N 3.35Å; P373-Y410 WeakPolarHBondContact CD-OH 3.3Å; P373-T433 HydrophobicContact CG-CG2 4.02Å; P373-E436 HydrophobicContact CG-CG 4.5Å; P373-E436 WeakPolarHBondContact CG-OE2 3.22Å
374	D	93.8	Very high	95.5	Very high	53 Å²	53	28.2 Å²	28.2	28%	0.283	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-72.8	-29.2	179.6	-40.4	-97.1	0	0	0	112.1	N328 R330 K372	N328-D374 WeakPolarHBondContact CB-O 3.35Å; R330-D374 HydrophobicContact CB-CB 4.49Å; R330-D374 WeakPolarHBondContact CB-OD1 3.43Å; R330-D374 VanDerWaalsContact CG-OD1 3.22Å; R330-D374 WeakPolarHBondContact CG-OD1 3.3Å; R330-D374 IonicContact CZ-OD1 3.05Å; R330-D374 IonicContact CZ-OD2 3.55Å; R330-D374 IonicContact NE-OD1 3.93Å; R330-D374 PolarHBondContact NE-OD1 3.47Å; R330-D374 IonicContact NE-OD2 3.8Å; R330-D374 PolarHBondContact NE-OD2 2.65Å; R330-D374 IonicContact NH2-OD1 2.82Å; R330-D374 IonicContact NH2-OD2 3.59Å; R330-D374 PolarHBondContact NH2-OD2 3.01Å; K372-D374 HydrophobicContact CD-CB 4.46Å; K372-D374 HydrophobicContact CG-CB 4.07Å; K372-D374 PolarHBondContact O-N 3.08Å; K372-D374 VanDerWaalsContact O-N 3.1Å
375	N	95.8	Very high	95.5	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.064	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-101.1	18.9	-178.7	-67.4	3	0	0	0	112.3	D370 K372 P373 C388	D370-N375 PolarHBondContact O-ND2 3.38Å; D370-N375 PolarHBondContact OD2-ND2 2.75Å; K372-N375 WeakPolarHBondContact CE-OD1 3.3Å; K372-N375 HydrophobicContact CG-CB 4.08Å; K372-N375 PolarHBondContact O-N 2.89Å; P373-N375 VanDerWaalsContact C-N 3.35Å; N375-C388 PolarHBondContact O-N 3.3Å; N375-C388 PolarHBondContact O-SG 2.84Å
376	I	97.4	Very high	95.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	112.7	173.2	-59.7	168.7	0	0	0	108	N328 L329 L354 I371 K372 L385 K386 L387 T433	N328-I376 CarbonylContact C-O 3.59Å; N328-I376 VanDerWaalsContact CA-O 3.3Å; N328-I376 WeakPolarHBondContact CA-O 3.28Å; L329-I376 HydrophobicContact CD1-CB 3.88Å; L329-I376 HydrophobicContact CD1-CD1 4.39Å; L329-I376 HydrophobicContact CD1-CG2 3.47Å; L329-I376 VanDerWaalsContact CD1-CG2 3.47Å; L329-I376 HydrophobicContact CG-CB 4.25Å; L329-I376 HydrophobicContact CG-CG2 3.99Å; L329-I376 PolarHBondContact N-O 2.99Å; L354-I376 HydrophobicContact CD1-CD1 4.04Å; L354-I376 HydrophobicContact CD2-CD1 3.97Å; I371-I376 HydrophobicContact CG2-CD1 4.21Å; K372-I376 PolarHBondContact O-N 3.15Å; I376-L385 HydrophobicContact CG2-CB 3.9Å; I376-L385 HydrophobicContact CG2-CD1 4.1Å; I376-L385 HydrophobicContact CG2-CD2 4.06Å; I376-L385 HydrophobicContact CG2-CG 4.25Å; I376-K386 WeakPolarHBondContact CA-O 3.42Å; I376-L387 HydrophobicContact CG1-CD1 3.97Å; I376-T433 HydrophobicContact CD1-CG2 4.01Å
377	L	96.6	Very high	95.6	Very high	41 Å²	41	24 Å²	24	22%	0.215	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	152.9	178.9	-71.2	166.6	0	0	0	110.8	L306 L325 L327 N328 L385 K386 C388	L306-L377 HydrophobicContact CD1-CD1 4.49Å; L325-L377 HydrophobicContact CB-CB 4.07Å; L325-L377 HydrophobicContact CB-CD1 4.37Å; L325-L377 HydrophobicContact CD1-CB 3.56Å; L325-L377 HydrophobicContact CD1-CD1 3.89Å; L325-L377 HydrophobicContact CD1-CG 4.37Å; L325-L377 HydrophobicContact CG-CB 4.43Å; L327-L377 CarbonylContact O-C 3.59Å; L327-L377 WeakPolarHBondContact O-CA 3.34Å; N328-L377 HydrophobicContact CB-CD2 4.01Å; L377-L385 CarbonylContact O-C 3.47Å; L377-L385 WeakPolarHBondContact O-CA 3.37Å; L377-K386 PolarHBondContact N-O 3.42Å; L377-K386 PolarHBondContact O-N 2.87Å; L377-C388 HydrophobicContact CD1-CB 4.2Å
378	V	96.5	Very high	95.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.6	171.3	-64	0	0	0	0	111.8	G326 L327 L329 V332 Y350 K382 V384 L385	G326-V378 WeakPolarHBondContact CA-O 3.36Å; G326-V378 PolarHBondContact N-O 2.97Å; L327-V378 WeakPolarHBondContact O-CG2 3.34Å; L327-V378 PolarHBondContact O-N 3.14Å; L329-V378 HydrophobicContact CD2-CG1 3.52Å; L329-V378 HydrophobicContact CG-CG1 4.16Å; V332-V378 HydrophobicContact CG2-CG2 3.85Å; Y350-V378 HydrophobicContact CE1-CG1 4.17Å; V378-K382 HydrophobicContact CG2-CB 4.49Å; V378-K382 HydrophobicContact CG2-CG 4.14Å; V378-V384 WeakPolarHBondContact CA-O 3.19Å; V378-L385 HydrophobicContact CG1-CB 3.95Å
379	N	94.2	Very high	95.2	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	14%	0.136	C	C	.	.			trans	-69.1	167.8	170.2	76.6	-27.5	0	0	0	111.8	L325 S381 K382 L383 V384	L325-N379 HydrophobicContact CD2-CB 4.38Å; N379-S381 VanDerWaalsContact C-N 3.26Å; N379-S381 PolarHBondContact ND2-OG 3.13Å; N379-S381 PolarHBondContact O-N 3.14Å; N379-S381 PolarHBondContact OD1-OG 3.17Å; N379-K382 WeakPolarHBondContact O-CA 3.48Å; N379-K382 PolarHBondContact O-N 2.75Å; N379-K382 PolarHBondContact OD1-N 3.13Å; N379-K382 VanDerWaalsContact OD1-N 3.14Å; N379-L383 PolarHBondContact OD1-N 2.81Å; N379-L383 VanDerWaalsContact OD1-N 3.1Å; N379-V384 PolarHBondContact N-O 3.21Å; N379-V384 PolarHBondContact OD1-N 3.19Å; N379-V384 VanDerWaalsContact OD1-N 3.08Å; N379-V384 PolarHBondContact OD1-O 3.26Å
380	D	91.9	Very high	95.2	Very high	116 Å²	116	25.5 Å²	25.5	62%	0.62	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.9	-174.3	-56.3	-65.6	0	0	0	113.6	K382	D380-K382 PolarHBondContact O-N 2.88Å; D380-K382 PolarHBondContact O-NZ 3.09Å
381	S	92.7	Very high	94.7	Very high	49 Å²	49	25.4 Å²	25.4	34%	0.343	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.1	173.8	71.6	0	0	0	0	114.1	N379 L383	N379-S381 VanDerWaalsContact C-N 3.26Å; N379-S381 PolarHBondContact ND2-OG 3.13Å; N379-S381 PolarHBondContact O-N 3.14Å; N379-S381 PolarHBondContact OD1-OG 3.17Å; S381-L383 PolarHBondContact O-N 2.83Å
382	K	93.6	Very high	94.2	Very high	95 Å²	95	25.5 Å²	25.5	41%	0.413	14%	0.135	S	C	.	.	S	Bend	trans	58.3	32	179.9	-52.1	161.2	-154.8	67.5	0	112.6	Y350 V378 N379 D380	Y350-K382 PolarHBondContact OH-O 3Å; V378-K382 HydrophobicContact CG2-CB 4.49Å; V378-K382 HydrophobicContact CG2-CG 4.14Å; N379-K382 WeakPolarHBondContact O-CA 3.48Å; N379-K382 PolarHBondContact O-N 2.75Å; N379-K382 PolarHBondContact OD1-N 3.13Å; N379-K382 VanDerWaalsContact OD1-N 3.14Å; D380-K382 PolarHBondContact O-N 2.88Å; D380-K382 PolarHBondContact O-NZ 3.09Å
383	L	93.8	Very high	94	Very high	60 Å²	60	24.4 Å²	24.4	31%	0.314	13%	0.131	S	C	.	.	S	Bend	trans	-104.2	-28.6	176.2	-61.5	-174.7	0	0	0	112.2	W81 L84 Q353 N379 S381	W81-L383 HydrophobicContact CD2-CD1 4.37Å; W81-L383 HydrophobicContact CE3-CD1 4.03Å; W81-L383 HydrophobicContact CH2-CD1 3.35Å; W81-L383 HydrophobicContact CZ2-CD1 3.7Å; W81-L383 HydrophobicContact CZ3-CD1 3.52Å; L84-L383 HydrophobicContact CD2-CD1 3.85Å; L84-L383 HydrophobicContact CD2-CD2 4.43Å; Q353-L383 PolarHBondContact NE2-O 3.32Å; N379-L383 PolarHBondContact OD1-N 2.81Å; N379-L383 VanDerWaalsContact OD1-N 3.1Å; S381-L383 PolarHBondContact O-N 2.83Å
384	V	95.7	Very high	93.8	Very high	19 Å²	19	24.7 Å²	24.7	12%	0.115	13%	0.133	C	C	.	.			trans	-118.7	124.2	-177.9	179.8	0	0	0	0	109.7	L77 Q353 V378 N379	L77-V384 HydrophobicContact CD2-CG2 3.8Å; Q353-V384 VanDerWaalsContact OE1-CA 3.32Å; V378-V384 WeakPolarHBondContact CA-O 3.19Å; N379-V384 PolarHBondContact N-O 3.21Å; N379-V384 PolarHBondContact OD1-N 3.19Å; N379-V384 VanDerWaalsContact OD1-N 3.08Å; N379-V384 PolarHBondContact OD1-O 3.26Å
385	L	97.3	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	159.6	170	73.1	75.9	0	0	0	112.2	H304 Y350 Q353 I376 L377 V378	H304-L385 HydrophobicContact CB-CD1 4.19Å; H304-L385 PolarHBondContact ND1-O 3Å; Y350-L385 HydrophobicContact CD1-CB 4.38Å; Y350-L385 HydrophobicContact CD1-CD2 3.77Å; Y350-L385 HydrophobicContact CD1-CG 4.4Å; Y350-L385 HydrophobicContact CG-CD2 3.93Å; Q353-L385 HydrophobicContact CB-CD1 3.98Å; Q353-L385 HydrophobicContact CB-CD2 4.04Å; Q353-L385 HydrophobicContact CB-CG 3.71Å; I376-L385 HydrophobicContact CG2-CB 3.9Å; I376-L385 HydrophobicContact CG2-CD1 4.1Å; I376-L385 HydrophobicContact CG2-CD2 4.06Å; I376-L385 HydrophobicContact CG2-CG 4.25Å; L377-L385 CarbonylContact O-C 3.47Å; L377-L385 WeakPolarHBondContact O-CA 3.37Å; V378-L385 HydrophobicContact CG1-CB 3.95Å
386	K	97.9	Very high	93.6	Very high	3 Å²	3	27 Å²	27	1%	0.013	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.5	168.2	-63.2	-63.2	-167	-175.8	0	110.2	D301 H304 E323 L325 I376 L377	D301-K386 IonicContact OD1-NZ 2.85Å; D301-K386 PolarHBondContact OD1-NZ 2.95Å; D301-K386 IonicContact OD2-NZ 2.65Å; D301-K386 PolarHBondContact OD2-NZ 2.95Å; H304-K386 CarbonylContact O-C 3.55Å; H304-K386 VanDerWaalsContact O-CA 3.28Å; H304-K386 WeakPolarHBondContact O-CA 3.4Å; E323-K386 VanDerWaalsContact OE1-CE 3.29Å; E323-K386 WeakPolarHBondContact OE1-CE 3.39Å; L325-K386 HydrophobicContact CD1-CB 3.72Å; L325-K386 HydrophobicContact CD1-CG 3.71Å; L325-K386 HydrophobicContact CD2-CG 4.22Å; I376-K386 WeakPolarHBondContact CA-O 3.42Å; L377-K386 PolarHBondContact N-O 3.42Å; L377-K386 PolarHBondContact O-N 2.87Å
387	L	97.9	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135	169.5	-176.7	62.1	0	0	0	110.2	H304 L306 L354 A357 L361 I371 I376 F390	H304-L387 PolarHBondContact O-N 2.63Å; L306-L387 WeakPolarHBondContact CB-O 3.02Å; L306-L387 PolarHBondContact N-O 3.26Å; L354-L387 HydrophobicContact CD1-CD1 4.28Å; L354-L387 HydrophobicContact CD1-CD2 4.43Å; A357-L387 HydrophobicContact CB-CB 4.14Å; A357-L387 HydrophobicContact CB-CD2 3.99Å; L361-L387 HydrophobicContact CD1-CD2 3.7Å; I371-L387 HydrophobicContact CD1-CD1 4.46Å; I371-L387 HydrophobicContact CD1-CD2 4.18Å; I371-L387 HydrophobicContact CG1-CD1 4.17Å; I371-L387 HydrophobicContact CG2-CD1 4.38Å; I376-L387 HydrophobicContact CG1-CD1 3.97Å; L387-F390 HydrophobicContact CG-CZ 4.38Å; L387-F390 WeakPolarHBondContact O-CE2 3.4Å; L387-F390 WeakPolarHBondContact O-CZ 3.49Å
388	C	94.3	Very high	93	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.074	19%	0.187	C	C	.	.			trans	-146.4	174.6	-172.2	64.1	0	0	0	0	114.4	L306 H368 N375 L377	L306-C388 HydrophobicContact CB-CB 4.07Å; L306-C388 HydrophobicContact CD2-CB 3.81Å; L306-C388 HydrophobicContact CG-CB 4.39Å; H368-C388 PolarHBondContact CE1-O 3.5Å; H368-C388 PolarHBondContact NE2-O 3.28Å; N375-C388 PolarHBondContact O-N 3.3Å; N375-C388 PolarHBondContact O-SG 2.84Å; L377-C388 HydrophobicContact CD1-CB 4.2Å
389	D	90.6	Very high	92.6	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.118	20%	0.197	C	C	.	.			trans	67	56	-176.2	-155	37.9	0	0	0	113.9	K151 F253 K272 G391	K151-D389 IonicContact NZ-OD2 3.81Å; K151-D389 PolarHBondContact NZ-OD2 2.9Å; F253-D389 WeakPolarHBondContact CD2-OD1 3.48Å; K272-D389 IonicContact NZ-OD1 3.3Å; K272-D389 PolarHBondContact NZ-OD1 3.18Å; D389-G391 PolarHBondContact O-N 2.84Å
390	F	92.7	Very high	92.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-71.8	22.7	178.7	-57.4	-89.8	0	0	0	114	E287 T290 L291 L294 C305 L306 L361 H368 L387 A393	E287-F390 HydrophobicContact CG-CB 4.2Å; T290-F390 HydrophobicContact CG2-CB 3.97Å; T290-F390 HydrophobicContact CG2-CD1 4.11Å; T290-F390 HydrophobicContact CG2-CG 4.21Å; L291-F390 HydrophobicContact CD2-CD2 3.46Å; L291-F390 VanDerWaalsContact CD2-CD2 3.46Å; L291-F390 HydrophobicContact CD2-CE2 3.53Å; L291-F390 HydrophobicContact CG-CD2 3.96Å; L291-F390 HydrophobicContact CG-CE2 4.5Å; L294-F390 HydrophobicContact CD1-CD1 3.92Å; L294-F390 HydrophobicContact CD1-CE1 3.51Å; L294-F390 HydrophobicContact CD1-CE2 4.32Å; L294-F390 HydrophobicContact CD1-CG 4.48Å; L294-F390 HydrophobicContact CD1-CZ 3.74Å; C305-F390 HydrophobicContact CB-CZ 4.08Å; L306-F390 HydrophobicContact CB-CE2 4.38Å; L361-F390 HydrophobicContact CD2-CD1 4.41Å; L361-F390 HydrophobicContact CD2-CE1 3.91Å; H368-F390 AromaticContact CD2-CD1 3.51Å; H368-F390 AromaticContact CD2-CE1 3.45Å; H368-F390 VanDerWaalsContact CD2-CE1 3.45Å; H368-F390 WeakPolarHBondContact CD2-CE1 3.18Å; H368-F390 AromaticContact NE2-CD1 3.89Å; H368-F390 AromaticContact NE2-CE1 3.9Å; L387-F390 HydrophobicContact CG-CZ 4.38Å; L387-F390 WeakPolarHBondContact O-CE2 3.4Å; L387-F390 WeakPolarHBondContact O-CZ 3.49Å; F390-A393 HydrophobicContact CB-CB 4.08Å; F390-A393 VanDerWaalsContact O-CB 3.28Å; F390-A393 WeakPolarHBondContact O-CB 3.23Å; F390-A393 PolarHBondContact O-N 3.49Å
391	G	86.2	Confident	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-67.7	-35.3	178.9	0	0	0	0	0	113.6	D389 A393	D389-G391 PolarHBondContact O-N 2.84Å; G391-A393 VanDerWaalsContact C-N 3.32Å
392	S	86.8	Confident	91.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-84.8	-0.8	173.6	-62.5	0	0	0	0	114.1	S154	S154-S392 PolarHBondContact OG-OG 3.33Å; S154-S392 VanDerWaalsContact OG-OG 3.09Å
393	A	91.9	Very high	91.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.			trans	-67.5	150.2	-176.1	0	0	0	0	0	112.4	K286 T290 I366 L367 F390 G391	K286-A393 WeakPolarHBondContact CE-O 3.43Å; K286-A393 PolarHBondContact NZ-O 3.22Å; T290-A393 HydrophobicContact CG2-CB 4.14Å; I366-A393 HydrophobicContact CG2-CB 4.12Å; L367-A393 VanDerWaalsContact O-CA 3.22Å; L367-A393 WeakPolarHBondContact O-CA 3.46Å; L367-A393 WeakPolarHBondContact O-CB 3.32Å; F390-A393 HydrophobicContact CB-CB 4.08Å; F390-A393 VanDerWaalsContact O-CB 3.28Å; F390-A393 WeakPolarHBondContact O-CB 3.23Å; F390-A393 PolarHBondContact O-N 3.49Å; G391-A393 VanDerWaalsContact C-N 3.32Å
394	C	92.4	Very high	90.8	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	163.3	174.7	67.3	0	0	0	0	111.5	P156 I366 L367 E398	P156-C394 HydrophobicContact CB-CB 4.08Å; P156-C394 HydrophobicContact CG-CB 3.89Å; I366-C394 WeakPolarHBondContact CA-O 3.28Å; L367-C394 PolarHBondContact N-O 2.97Å; L367-C394 PolarHBondContact O-N 3.32Å; L367-C394 VanDerWaalsContact O-N 3.16Å; C394-E398 HydrophobicContact CB-CB 4.3Å; C394-E398 WeakPolarHBondContact CB-OE2 3.46Å
395	H	93.5	Very high	90.4	Very high	73 Å²	73	35.3 Å²	35.3	34%	0.338	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	145.7	167.6	-175	-107.7	0	0	0	109.7	N365 S397 E398	N365-H395 VanDerWaalsContact CB-NE2 3.29Å; N365-H395 WeakPolarHBondContact CB-NE2 3.34Å; N365-H395 CarbonylContact O-C 3.12Å; N365-H395 WeakPolarHBondContact O-CA 3.36Å; N365-H395 PolarHBondContact O-CD2 3.35Å; N365-H395 VanDerWaalsContact O-CD2 3.23Å; H395-S397 PolarHBondContact ND1-N 3.35Å; H395-S397 PolarHBondContact ND1-OG 3.22Å; H395-S397 PolarHBondContact O-N 2.99Å; H395-E398 HydrophobicContact CB-CG 4.09Å; H395-E398 PolarHBondContact N-OE2 2.95Å; H395-E398 WeakPolarHBondContact O-CA 3.42Å; H395-E398 VanDerWaalsContact O-CB 3.31Å; H395-E398 WeakPolarHBondContact O-CB 3.36Å; H395-E398 PolarHBondContact O-N 2.76Å
396	V	92.8	Very high	90.1	Very high	41 Å²	41	35.3 Å²	35.3	25%	0.248	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.7	-22.1	-174.6	76.9	0	0	0	0	114	N365 L367 E398 A399 Y423	N365-V396 HydrophobicContact CB-CG1 4.05Å; N365-V396 PolarHBondContact O-N 2.96Å; L367-V396 HydrophobicContact CD2-CG2 4.42Å; V396-E398 VanDerWaalsContact C-N 3.3Å; V396-A399 VanDerWaalsContact O-CB 3.29Å; V396-A399 WeakPolarHBondContact O-CB 3.29Å; V396-Y423 HydrophobicContact CB-CE1 4.38Å; V396-Y423 WeakPolarHBondContact CG1-OH 3.31Å; V396-Y423 HydrophobicContact CG2-CE1 4.36Å; V396-Y423 HydrophobicContact CG2-CE2 4.16Å
397	S	91.5	Very high	89.8	Confident	98 Å²	98	36.2 Å²	36.2	69%	0.685	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-80.1	-8.3	174.1	70.3	0	0	0	0	114.3	H395	H395-S397 PolarHBondContact ND1-N 3.35Å; H395-S397 PolarHBondContact ND1-OG 3.22Å; H395-S397 PolarHBondContact O-N 2.99Å
398	E	89.7	Confident	89.7	Confident	92 Å²	92	39.9 Å²	39.9	43%	0.43	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-98.7	9.4	176.5	-53.3	170.3	161.6	0	0	111.2	C394 H395 V396 E400	C394-E398 HydrophobicContact CB-CB 4.3Å; C394-E398 WeakPolarHBondContact CB-OE2 3.46Å; H395-E398 HydrophobicContact CB-CG 4.09Å; H395-E398 PolarHBondContact N-OE2 2.95Å; H395-E398 WeakPolarHBondContact O-CA 3.42Å; H395-E398 VanDerWaalsContact O-CB 3.31Å; H395-E398 WeakPolarHBondContact O-CB 3.36Å; H395-E398 PolarHBondContact O-N 2.76Å; V396-E398 VanDerWaalsContact C-N 3.3Å; E398-E400 PolarHBondContact O-N 2.85Å
399	A	88.2	Confident	89.8	Confident	26 Å²	26	42.7 Å²	42.7	22%	0.215	22%	0.224	C	C	.	.			trans	-77	77.3	-172.7	0	0	0	0	0	112.8	L367 V396 Y421	L367-A399 HydrophobicContact CD1-CB 4.14Å; V396-A399 VanDerWaalsContact O-CB 3.29Å; V396-A399 WeakPolarHBondContact O-CB 3.29Å; A399-Y421 WeakPolarHBondContact CA-OH 3.22Å; A399-Y421 HydrophobicContact CB-CD2 4.28Å; A399-Y421 HydrophobicContact CB-CE2 3.68Å
400	E	87.4	Confident	90.1	Very high	145 Å²	145	41.9 Å²	41.9	68%	0.678	22%	0.219	S	C	*	.			trans	-85.4	147.5	176.4	-63.2	-168.1	156.7	0	0	113	E398 A402 Y421	E398-E400 PolarHBondContact O-N 2.85Å; E400-A402 PolarHBondContact O-N 2.87Å; E400-Y421 PolarHBondContact N-OH 3.01Å; E400-Y421 VanDerWaalsContact O-CE1 3.22Å; E400-Y421 WeakPolarHBondContact O-CE1 3.36Å; E400-Y421 PolarHBondContact O-OH 3.25Å
401	P	86	Confident	90.3	Very high	47 Å²	47	42 Å²	42	31%	0.305	22%	0.22	S	C	.	.			trans	-62.7	90.1	-179.7	-25	36.5	0	0	0	115	F473	P401-F473 HydrophobicContact CB-CE2 4.48Å; P401-F473 HydrophobicContact CB-CZ 4.27Å; P401-F473 WeakPolarHBondContact O-CZ 3.25Å
402	A	86	Confident	90.8	Very high	30 Å²	30	42 Å²	42	25%	0.248	22%	0.22	C	C	.	.			trans	-110.5	106.5	179.4	0	0	0	0	0	111.6	E400 Y404 L405 I415	E400-A402 PolarHBondContact O-N 2.87Å; A402-Y404 PolarHBondContact O-N 3.01Å; A402-L405 HydrophobicContact CB-CB 4.28Å; A402-L405 WeakPolarHBondContact O-CB 3.25Å; A402-L405 PolarHBondContact O-N 3.36Å; A402-L405 VanDerWaalsContact O-N 3.13Å; A402-I415 VanDerWaalsContact O-CG2 3.28Å; A402-I415 WeakPolarHBondContact O-CG2 3.46Å
403	P	81.9	Confident	91.3	Very high	25 Å²	25	41.9 Å²	41.9	16%	0.162	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.6	-172.3	26.5	-31.7	0	0	0	115.2	N449 F473	P403-N449 PolarHBondContact O-ND2 3.24Å; P403-F473 HydrophobicContact CB-CD2 3.73Å; P403-F473 HydrophobicContact CB-CE2 3.66Å; P403-F473 HydrophobicContact CG-CD2 4.1Å; P403-F473 HydrophobicContact CG-CE2 3.69Å; P403-F473 HydrophobicContact CG-CZ 4.11Å
404	Y	86.5	Confident	91.6	Very high	120 Å²	120	42 Å²	42	47%	0.471	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	2.7	178.8	-59.2	-69.1	0	0	0	113.9	A402 R411	A402-Y404 PolarHBondContact O-N 3.01Å; Y404-R411 PolarHBondContact O-NH2 2.68Å
405	L	87	Confident	91.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.218	C	C	.	.			trans	-59.6	146.4	168	-177.1	61.3	0	0	0	110.8	S154 P156 A402 R411 I415 Y421 I425	S154-L405 WeakPolarHBondContact O-CD1 3.48Å; P156-L405 HydrophobicContact CG-CD1 4.24Å; A402-L405 HydrophobicContact CB-CB 4.28Å; A402-L405 WeakPolarHBondContact O-CB 3.25Å; A402-L405 PolarHBondContact O-N 3.36Å; A402-L405 VanDerWaalsContact O-N 3.13Å; L405-R411 WeakPolarHBondContact O-CD 2.97Å; L405-R411 WeakPolarHBondContact O-CG 3.45Å; L405-R411 PolarHBondContact O-NE 3.26Å; L405-I415 HydrophobicContact CB-CG2 4.04Å; L405-I415 HydrophobicContact CD2-CD1 4.03Å; L405-Y421 HydrophobicContact CD2-CE2 3.69Å; L405-Y421 WeakPolarHBondContact CD2-OH 3.32Å; L405-I425 HydrophobicContact CD2-CD1 4Å
406	V	90.6	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	63.2	134	-170.7	-160.4	0	0	0	0	114.1	G369 R408 R411 I425	G369-V406 WeakPolarHBondContact O-CA 3.38Å; G369-V406 WeakPolarHBondContact O-CG2 3.36Å; G369-V406 PolarHBondContact O-N 2.72Å; G369-V406 VanDerWaalsContact O-N 3.08Å; V406-R408 PolarHBondContact O-N 2.74Å; V406-R411 HydrophobicContact CB-CB 4.18Å; V406-R411 HydrophobicContact CB-CG 4.38Å; V406-R411 PolarHBondContact O-NE 2.95Å; V406-R411 PolarHBondContact O-NH2 2.81Å; V406-I425 HydrophobicContact CG2-CD1 4.42Å
407	S	92.5	Very high	91.9	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	19%	0.19	C	C	.	.			trans	-48.9	128.8	169.1	-67.1	0	0	0	0	111.8	D370 K372 F409 Y410 R411	D370-S407 VanDerWaalsContact OD1-CB 3.23Å; D370-S407 WeakPolarHBondContact OD1-CB 3.32Å; D370-S407 PolarHBondContact OD1-N 2.53Å; D370-S407 PolarHBondContact OD1-OG 2.65Å; K372-S407 WeakPolarHBondContact CD-OG 3.49Å; K372-S407 PolarHBondContact NZ-OG 3.08Å; S407-F409 VanDerWaalsContact C-N 3.32Å; S407-F409 PolarHBondContact O-N 2.77Å; S407-Y410 PolarHBondContact O-N 2.66Å; S407-R411 PolarHBondContact O-N 2.87Å
408	R	94.9	Very high	92.1	Very high	78 Å²	78	31.8 Å²	31.8	29%	0.294	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-45.3	-164.6	-168.1	-179.4	-48.3	149.7	23.7	116.6	E150 V406 Y410 R411 G446 R447 M452	E150-R408 WeakPolarHBondContact OE1-CB 3.48Å; E150-R408 PolarHBondContact OE1-N 2.87Å; E150-R408 IonicContact OE2-CZ 3.19Å; E150-R408 IonicContact OE2-NH2 3.26Å; E150-R408 PolarHBondContact OE2-NH2 2.82Å; V406-R408 PolarHBondContact O-N 2.74Å; R408-Y410 VanDerWaalsContact C-N 3.29Å; R408-Y410 PolarHBondContact O-N 2.8Å; R408-R411 VanDerWaalsContact O-CB 3.32Å; R408-R411 WeakPolarHBondContact O-CB 3.35Å; R408-R411 PolarHBondContact O-N 2.6Å; R408-G446 WeakPolarHBondContact CD-O 3.41Å; R408-R447 PolarHBondContact NH1-O 3.37Å; R408-M452 HydrophobicContact CG-CG 3.96Å; R408-M452 HydrophobicContact CG-SD 4.41Å; R408-M452 WeakPolarHBondContact O-CE 3.47Å
409	F	96.7	Very high	92.3	Very high	70 Å²	70	27.8 Å²	27.8	31%	0.307	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.8	-175.8	-56.5	-38.3	0	0	0	114.3	S407 I442 F444 M452	S407-F409 VanDerWaalsContact C-N 3.32Å; S407-F409 PolarHBondContact O-N 2.77Å; F409-I442 HydrophobicContact CB-CG2 3.67Å; F409-I442 HydrophobicContact CD1-CG2 4.5Å; F409-I442 HydrophobicContact CD2-CD1 3.92Å; F409-I442 HydrophobicContact CD2-CG2 4.02Å; F409-I442 HydrophobicContact CE2-CD1 4.02Å; F409-I442 HydrophobicContact CG-CG2 3.84Å; F409-F444 WeakPolarHBondContact CD1-O 3.46Å; F409-M452 HydrophobicContact CD1-SD 4.25Å
410	Y	97.7	Very high	92.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.016	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.6	179.6	-50.5	-85.6	0	0	0	112	R330 K372 P373 S407 R408 A412 W428 S429 V432 E436	R330-Y410 PolarHBondContact NH2-OH 3.39Å; K372-Y410 HydrophobicContact CB-CD1 4.21Å; K372-Y410 HydrophobicContact CB-CD2 3.63Å; K372-Y410 HydrophobicContact CB-CE1 4.14Å; K372-Y410 HydrophobicContact CB-CE2 3.53Å; K372-Y410 HydrophobicContact CB-CG 4Å; K372-Y410 HydrophobicContact CD-CE2 4.48Å; P373-Y410 WeakPolarHBondContact CD-OH 3.3Å; S407-Y410 PolarHBondContact O-N 2.66Å; R408-Y410 VanDerWaalsContact C-N 3.29Å; R408-Y410 PolarHBondContact O-N 2.8Å; Y410-A412 PolarHBondContact O-N 3.4Å; Y410-W428 PolarHBondContact O-NE1 2.76Å; Y410-S429 PolarHBondContact O-OG 2.69Å; Y410-V432 HydrophobicContact CD1-CB 4.18Å; Y410-V432 HydrophobicContact CD1-CG1 3.6Å; Y410-V432 HydrophobicContact CE1-CG1 4.02Å; Y410-V432 HydrophobicContact CG-CG1 4.42Å; Y410-E436 VanDerWaalsContact CE1-OE2 3.31Å; Y410-E436 WeakPolarHBondContact CE1-OE2 3.4Å; Y410-E436 PolarHBondContact OH-OE2 3.37Å
411	R	96.7	Very high	92.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	13%	0.131	C	C	.	.			trans	-57.6	131	-178.2	-169.3	175.7	-67.4	151.1	4.2	112.4	E150 Y404 L405 V406 S407 R408 I415 I416 W428 N449 M456	E150-R411 IonicContact OE1-NH2 2.71Å; E150-R411 PolarHBondContact OE1-NH2 2.97Å; Y404-R411 PolarHBondContact O-NH2 2.68Å; L405-R411 WeakPolarHBondContact O-CD 2.97Å; L405-R411 WeakPolarHBondContact O-CG 3.45Å; L405-R411 PolarHBondContact O-NE 3.26Å; V406-R411 HydrophobicContact CB-CB 4.18Å; V406-R411 HydrophobicContact CB-CG 4.38Å; V406-R411 PolarHBondContact O-NE 2.95Å; V406-R411 PolarHBondContact O-NH2 2.81Å; S407-R411 PolarHBondContact O-N 2.87Å; R408-R411 VanDerWaalsContact O-CB 3.32Å; R408-R411 WeakPolarHBondContact O-CB 3.35Å; R408-R411 PolarHBondContact O-N 2.6Å; R411-I415 HydrophobicContact CG-CB 3.93Å; R411-I415 HydrophobicContact CG-CG2 3.77Å; R411-I416 HydrophobicContact CG-CD1 4.4Å; R411-I416 HydrophobicContact CG-CG1 3.88Å; R411-W428 PolarHBondContact O-NE1 2.98Å; R411-N449 PolarHBondContact NH1-OD1 2.87Å; R411-M456 WeakPolarHBondContact O-CE 3.39Å
412	A	97.2	Very high	93.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.			trans	-77.2	150.9	178.3	0	0	0	0	0	112	Y410 E414 I415 I416 I425 W428	Y410-A412 PolarHBondContact O-N 3.4Å; A412-E414 VanDerWaalsContact C-N 3.31Å; A412-E414 HydrophobicContact CB-CG 4.33Å; A412-E414 WeakPolarHBondContact CB-OE2 3.44Å; A412-E414 PolarHBondContact O-N 2.87Å; A412-I415 HydrophobicContact CB-CG1 4.5Å; A412-I415 WeakPolarHBondContact O-CB 3.3Å; A412-I415 PolarHBondContact O-N 3.39Å; A412-I416 PolarHBondContact O-N 3.29Å; A412-I425 HydrophobicContact CB-CB 4.27Å; A412-I425 HydrophobicContact CB-CG2 4.2Å; A412-W428 HydrophobicContact CB-CB 4.04Å; A412-W428 HydrophobicContact CB-CD2 4.21Å; A412-W428 HydrophobicContact CB-CG 3.75Å
413	P	97.2	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-36.6	-177.2	20	-30.5	0	0	0	113.3	I415 I416 L417 W428 L453 M456 M463 I541	P413-I415 VanDerWaalsContact C-N 3.28Å; P413-I415 PolarHBondContact O-N 3.09Å; P413-I416 PolarHBondContact O-N 3.32Å; P413-L417 WeakPolarHBondContact O-CB 3.35Å; P413-L417 WeakPolarHBondContact O-CG 3.13Å; P413-L417 PolarHBondContact O-N 3.08Å; P413-W428 HydrophobicContact CG-CE3 4.47Å; P413-W428 HydrophobicContact CG-CH2 4.11Å; P413-W428 HydrophobicContact CG-CZ3 4.03Å; P413-L453 HydrophobicContact CB-CD2 4.27Å; P413-M456 HydrophobicContact CB-SD 3.75Å; P413-M456 HydrophobicContact CG-SD 4.16Å; P413-M463 HydrophobicContact CB-CE 4.1Å; P413-I541 HydrophobicContact CB-CG2 4.35Å; P413-I541 HydrophobicContact CG-CD1 4.47Å; P413-I541 HydrophobicContact CG-CG2 4.25Å
414	E	96.4	Very high	94.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-35.1	177.4	58.9	-88.4	-150.9	0	0	113.2	A412 L417 G418 I419 I425 P543 R546	A412-E414 VanDerWaalsContact C-N 3.31Å; A412-E414 HydrophobicContact CB-CG 4.33Å; A412-E414 WeakPolarHBondContact CB-OE2 3.44Å; A412-E414 PolarHBondContact O-N 2.87Å; E414-L417 PolarHBondContact O-N 3.36Å; E414-G418 PolarHBondContact O-N 3.49Å; E414-I419 HydrophobicContact CB-CB 3.95Å; E414-I419 HydrophobicContact CB-CG2 4.37Å; E414-I419 PolarHBondContact O-N 3.24Å; E414-I425 HydrophobicContact CG-CG2 4.05Å; E414-P543 HydrophobicContact CB-CG 4.46Å; E414-R546 IonicContact OE1-CZ 3.92Å; E414-R546 IonicContact OE1-NH1 3.05Å; E414-R546 PolarHBondContact OE1-NH1 3.39Å; E414-R546 IonicContact OE1-NH2 3.81Å; E414-R546 PolarHBondContact OE1-NH2 3.38Å; E414-R546 IonicContact OE2-CZ 3.77Å; E414-R546 IonicContact OE2-NH1 3.31Å; E414-R546 IonicContact OE2-NH2 2.76Å; E414-R546 PolarHBondContact OE2-NH2 3.37Å
415	I	95.6	Very high	94.9	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-65	-51.7	175.1	-63.2	-56	0	0	0	110.2	A402 L405 R411 A412 P413 L417 G418 Y421 I425	A402-I415 VanDerWaalsContact O-CG2 3.28Å; A402-I415 WeakPolarHBondContact O-CG2 3.46Å; L405-I415 HydrophobicContact CB-CG2 4.04Å; L405-I415 HydrophobicContact CD2-CD1 4.03Å; R411-I415 HydrophobicContact CG-CB 3.93Å; R411-I415 HydrophobicContact CG-CG2 3.77Å; A412-I415 HydrophobicContact CB-CG1 4.5Å; A412-I415 WeakPolarHBondContact O-CB 3.3Å; A412-I415 PolarHBondContact O-N 3.39Å; P413-I415 VanDerWaalsContact C-N 3.28Å; P413-I415 PolarHBondContact O-N 3.09Å; I415-L417 PolarHBondContact O-N 3.42Å; I415-G418 PolarHBondContact O-N 3.22Å; I415-G418 VanDerWaalsContact O-N 3.13Å; I415-Y421 HydrophobicContact CD1-CD1 3.42Å; I415-Y421 VanDerWaalsContact CD1-CD1 3.42Å; I415-Y421 HydrophobicContact CD1-CD2 3.8Å; I415-Y421 HydrophobicContact CD1-CE1 3.76Å; I415-Y421 HydrophobicContact CD1-CE2 4.1Å; I415-Y421 HydrophobicContact CD1-CG 3.45Å; I415-Y421 VanDerWaalsContact CD1-CG 3.45Å; I415-I425 HydrophobicContact CD1-CD1 4.21Å; I415-I425 HydrophobicContact CD1-CG2 3.92Å; I415-I425 HydrophobicContact CG1-CG2 3.97Å
416	I	95.4	Very high	95.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-37.6	179.8	-61.7	172	0	0	0	111.1	R411 A412 P413 N449 M452 L453 M456	R411-I416 HydrophobicContact CG-CD1 4.4Å; R411-I416 HydrophobicContact CG-CG1 3.88Å; A412-I416 PolarHBondContact O-N 3.29Å; P413-I416 PolarHBondContact O-N 3.32Å; I416-N449 HydrophobicContact CG2-CB 3.69Å; I416-M452 HydrophobicContact CD1-CB 3.67Å; I416-M452 HydrophobicContact CD1-CG 4.46Å; I416-L453 HydrophobicContact CB-CD2 4.13Å; I416-L453 HydrophobicContact CB-CG 4.49Å; I416-L453 HydrophobicContact CD1-CD2 4.19Å; I416-L453 HydrophobicContact CD1-CG 4.41Å; I416-L453 HydrophobicContact CG2-CD1 3.82Å; I416-L453 HydrophobicContact CG2-CD2 3.94Å; I416-L453 HydrophobicContact CG2-CG 3.79Å; I416-M456 HydrophobicContact CD1-CE 3.91Å
417	L	95.6	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-83.6	-11.1	-177.2	-67.5	175.9	0	0	0	114	P413 E414 I415 I419 L453 M463 A471 Q472 F473 F478	P413-L417 WeakPolarHBondContact O-CB 3.35Å; P413-L417 WeakPolarHBondContact O-CG 3.13Å; P413-L417 PolarHBondContact O-N 3.08Å; E414-L417 PolarHBondContact O-N 3.36Å; I415-L417 PolarHBondContact O-N 3.42Å; L417-I419 HydrophobicContact CB-CD1 3.9Å; L417-I419 HydrophobicContact CB-CG1 3.88Å; L417-I419 HydrophobicContact CD1-CD1 3.86Å; L417-L453 HydrophobicContact CD2-CD1 3.87Å; L417-L453 HydrophobicContact CD2-CD2 4.23Å; L417-L453 HydrophobicContact CG-CD2 4.18Å; L417-M463 HydrophobicContact CD1-SD 3.93Å; L417-A471 HydrophobicContact CB-CB 3.73Å; L417-A471 HydrophobicContact CD2-CB 4.34Å; L417-A471 HydrophobicContact CG-CB 4.46Å; L417-A471 CarbonylContact O-C 3.52Å; L417-A471 VanDerWaalsContact O-CA 3.28Å; L417-A471 WeakPolarHBondContact O-CA 3.47Å; L417-A471 VanDerWaalsContact O-CB 3.24Å; L417-A471 WeakPolarHBondContact O-CB 3.31Å; L417-Q472 PolarHBondContact O-N 3.3Å; L417-F473 PolarHBondContact O-N 3.41Å; L417-F478 HydrophobicContact CD2-CE2 3.8Å
418	G	94.4	Very high	96	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	42.2	-173	0	0	0	0	0	112	E414 I415 Q472 F473	E414-G418 PolarHBondContact O-N 3.49Å; I415-G418 PolarHBondContact O-N 3.22Å; I415-G418 VanDerWaalsContact O-N 3.13Å; G418-Q472 WeakPolarHBondContact O-CB 3.5Å; G418-Q472 WeakPolarHBondContact O-CG 3.1Å; G418-Q472 PolarHBondContact O-N 3.4Å; G418-Q472 VanDerWaalsContact O-N 3.16Å; G418-F473 VanDerWaalsContact N-CD2 3.3Å
419	I	94.8	Very high	96.1	Very high	8 Å²	8	16.2 Å²	16.2	4%	0.041	9%	0.085	C	C	.	.			trans	-93.8	139.2	171	-62.1	174.1	0	0	0	107.2	E414 L417 Y421 L467 K470 A471	E414-I419 HydrophobicContact CB-CB 3.95Å; E414-I419 HydrophobicContact CB-CG2 4.37Å; E414-I419 PolarHBondContact O-N 3.24Å; L417-I419 HydrophobicContact CB-CD1 3.9Å; L417-I419 HydrophobicContact CB-CG1 3.88Å; L417-I419 HydrophobicContact CD1-CD1 3.86Å; I419-Y421 PolarHBondContact O-N 2.55Å; I419-L467 HydrophobicContact CD1-CD1 3.68Å; I419-L467 HydrophobicContact CD1-CG 3.72Å; I419-K470 HydrophobicContact CG1-CB 4.37Å; I419-K470 HydrophobicContact CG2-CB 4.47Å; I419-A471 HydrophobicContact CD1-CB 4.17Å; I419-A471 HydrophobicContact CG1-CB 3.89Å
420	P	93	Very high	96.2	Very high	97 Å²	97	13.1 Å²	13.1	63%	0.63	7%	0.072	S	C	*	.			trans	-52.4	132.1	174	-27.7	35.6	0	0	0	111.9
421	Y	94	Very high	96.2	Very high	20 Å²	20	13 Å²	13	8%	0.078	7%	0.072	C	C	.	.			trans	-127.4	165	-168.2	61.9	-93	0	0	0	111.9	L367 A399 E400 L405 I415 I419 I425	L367-Y421 HydrophobicContact CD1-CD2 3.98Å; L367-Y421 HydrophobicContact CD1-CE2 3.74Å; A399-Y421 WeakPolarHBondContact CA-OH 3.22Å; A399-Y421 HydrophobicContact CB-CD2 4.28Å; A399-Y421 HydrophobicContact CB-CE2 3.68Å; E400-Y421 PolarHBondContact N-OH 3.01Å; E400-Y421 VanDerWaalsContact O-CE1 3.22Å; E400-Y421 WeakPolarHBondContact O-CE1 3.36Å; E400-Y421 PolarHBondContact O-OH 3.25Å; L405-Y421 HydrophobicContact CD2-CE2 3.69Å; L405-Y421 WeakPolarHBondContact CD2-OH 3.32Å; I415-Y421 HydrophobicContact CD1-CD1 3.42Å; I415-Y421 VanDerWaalsContact CD1-CD1 3.42Å; I415-Y421 HydrophobicContact CD1-CD2 3.8Å; I415-Y421 HydrophobicContact CD1-CE1 3.76Å; I415-Y421 HydrophobicContact CD1-CE2 4.1Å; I415-Y421 HydrophobicContact CD1-CG 3.45Å; I415-Y421 VanDerWaalsContact CD1-CG 3.45Å; I419-Y421 PolarHBondContact O-N 2.55Å; Y421-I425 HydrophobicContact CD2-CD1 3.81Å; Y421-I425 HydrophobicContact CD2-CG2 4.15Å; Y421-I425 HydrophobicContact CE2-CD1 4.03Å; Y421-I425 HydrophobicContact CG-CG2 4.24Å
422	D	94.1	Very high	96.3	Very high	57 Å²	57	12.9 Å²	12.9	31%	0.305	7%	0.071	S	C	.	.			trans	-148.6	-158.5	-178.7	73.6	-14.8	0	0	0	110.3	N424 I425	D422-N424 VanDerWaalsContact CG-ND2 3.35Å; D422-N424 PolarHBondContact O-N 3.25Å; D422-N424 VanDerWaalsContact OD1-CB 3.23Å; D422-N424 WeakPolarHBondContact OD1-CB 3.33Å; D422-N424 PolarHBondContact OD1-N 2.92Å; D422-N424 PolarHBondContact OD1-ND2 3.15Å; D422-N424 PolarHBondContact OD2-ND2 3.1Å; D422-N424 VanDerWaalsContact OD2-ND2 3.17Å; D422-I425 PolarHBondContact O-N 2.75Å; D422-I425 VanDerWaalsContact O-N 3.13Å
423	Y	95.4	Very high	96.3	Very high	39 Å²	39	12.9 Å²	12.9	15%	0.153	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-16.7	177.1	-46	-76.1	0	0	0	115.1	R362 N365 L367 V396 I425 D426 L427	R362-Y423 HydrophobicContact CB-CD1 3.98Å; R362-Y423 HydrophobicContact CB-CE1 4.2Å; R362-Y423 HydrophobicContact CB-CG 4.27Å; R362-Y423 HydrophobicContact CG-CD1 4.06Å; R362-Y423 HydrophobicContact CG-CD2 4.01Å; R362-Y423 HydrophobicContact CG-CE1 4.13Å; R362-Y423 HydrophobicContact CG-CE2 4.06Å; R362-Y423 HydrophobicContact CG-CG 4Å; N365-Y423 WeakPolarHBondContact CA-OH 3.21Å; N365-Y423 PolarHBondContact OD1-OH 3.16Å; N365-Y423 VanDerWaalsContact OD1-OH 3.12Å; L367-Y423 HydrophobicContact CD2-CD1 3.59Å; L367-Y423 HydrophobicContact CD2-CE1 4.03Å; L367-Y423 HydrophobicContact CD2-CG 4.12Å; V396-Y423 HydrophobicContact CB-CE1 4.38Å; V396-Y423 WeakPolarHBondContact CG1-OH 3.31Å; V396-Y423 HydrophobicContact CG2-CE1 4.36Å; V396-Y423 HydrophobicContact CG2-CE2 4.16Å; Y423-I425 PolarHBondContact O-N 2.85Å; Y423-D426 PolarHBondContact O-N 2.66Å; Y423-L427 PolarHBondContact O-N 3.41Å
424	N	96.1	Very high	96.3	Very high	29 Å²	29	13 Å²	13	16%	0.155	7%	0.072	C	C	.	.	H	α-helix	trans	-66.8	-17.5	177.5	-71.8	-68.2	0	0	0	113.8	D422 W428 P543 R546	D422-N424 VanDerWaalsContact CG-ND2 3.35Å; D422-N424 PolarHBondContact O-N 3.25Å; D422-N424 VanDerWaalsContact OD1-CB 3.23Å; D422-N424 WeakPolarHBondContact OD1-CB 3.33Å; D422-N424 PolarHBondContact OD1-N 2.92Å; D422-N424 PolarHBondContact OD1-ND2 3.15Å; D422-N424 PolarHBondContact OD2-ND2 3.1Å; D422-N424 VanDerWaalsContact OD2-ND2 3.17Å; N424-W428 WeakPolarHBondContact O-CB 3.07Å; N424-W428 PolarHBondContact O-N 3.27Å; N424-P543 HydrophobicContact CB-CB 4.18Å; N424-R546 PolarHBondContact O-NH1 3.03Å
425	I	97	Very high	96.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-70.6	-39.7	175.4	72.6	176.2	0	0	0	111.7	L367 L405 V406 A412 E414 I415 Y421 D422 Y423 W428 S429	L367-I425 HydrophobicContact CD1-CD1 4.41Å; L405-I425 HydrophobicContact CD2-CD1 4Å; V406-I425 HydrophobicContact CG2-CD1 4.42Å; A412-I425 HydrophobicContact CB-CB 4.27Å; A412-I425 HydrophobicContact CB-CG2 4.2Å; E414-I425 HydrophobicContact CG-CG2 4.05Å; I415-I425 HydrophobicContact CD1-CD1 4.21Å; I415-I425 HydrophobicContact CD1-CG2 3.92Å; I415-I425 HydrophobicContact CG1-CG2 3.97Å; Y421-I425 HydrophobicContact CD2-CD1 3.81Å; Y421-I425 HydrophobicContact CD2-CG2 4.15Å; Y421-I425 HydrophobicContact CE2-CD1 4.03Å; Y421-I425 HydrophobicContact CG-CG2 4.24Å; D422-I425 PolarHBondContact O-N 2.75Å; D422-I425 VanDerWaalsContact O-N 3.13Å; Y423-I425 PolarHBondContact O-N 2.85Å; I425-W428 PolarHBondContact O-N 3.25Å; I425-S429 WeakPolarHBondContact O-CB 3.4Å; I425-S429 PolarHBondContact O-N 2.63Å; I425-S429 PolarHBondContact O-OG 3.32Å
426	D	97.7	Very high	96.5	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-72.5	-36.3	177.9	-69.1	-33.2	0	0	0	110.2	L358 L367 H368 G369 I371 Y423 S429 A430	L358-D426 HydrophobicContact CD2-CB 3.71Å; L367-D426 WeakPolarHBondContact CA-OD2 3.49Å; H368-D426 WeakPolarHBondContact CB-OD1 3.3Å; H368-D426 PolarHBondContact N-OD1 2.8Å; H368-D426 PolarHBondContact N-OD2 2.97Å; G369-D426 PolarHBondContact N-OD1 3.19Å; I371-D426 HydrophobicContact CD1-CB 3.71Å; Y423-D426 PolarHBondContact O-N 2.66Å; D426-S429 PolarHBondContact O-N 3.34Å; D426-A430 VanDerWaalsContact O-CB 3.3Å; D426-A430 WeakPolarHBondContact O-CB 3.22Å; D426-A430 PolarHBondContact O-N 3.38Å
427	L	97.5	Very high	96.6	Very high	7 Å²	7	13.4 Å²	13.4	4%	0.037	7%	0.073	C	C	.	.	H	α-helix	trans	-65.9	-39.9	174.4	-172.4	63.2	0	0	0	112.4	L355 L358 Y423 A431 V538 L549	L355-L427 HydrophobicContact CD2-CD1 3.62Å; L358-L427 HydrophobicContact CD1-CB 4.14Å; L358-L427 HydrophobicContact CD1-CD1 3.76Å; Y423-L427 PolarHBondContact O-N 3.41Å; L427-A431 PolarHBondContact O-N 3.4Å; L427-A431 VanDerWaalsContact O-N 3.14Å; L427-V538 HydrophobicContact CD1-CG1 4.37Å; L427-V538 HydrophobicContact CD2-CG1 4.47Å; L427-V538 HydrophobicContact CG-CG1 3.79Å; L427-V538 VanDerWaalsContact O-CG1 3.28Å; L427-V538 WeakPolarHBondContact O-CG1 3.37Å; L427-L549 HydrophobicContact CD1-CD1 4.16Å
428	W	98.2	Very high	96.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-49.3	170.2	171.1	-77.2	0	0	0	111.3	Y410 R411 A412 P413 N424 I425 A430 A431 V432 F444 M456 T539 I541	Y410-W428 PolarHBondContact O-NE1 2.76Å; R411-W428 PolarHBondContact O-NE1 2.98Å; A412-W428 HydrophobicContact CB-CB 4.04Å; A412-W428 HydrophobicContact CB-CD2 4.21Å; A412-W428 HydrophobicContact CB-CG 3.75Å; P413-W428 HydrophobicContact CG-CE3 4.47Å; P413-W428 HydrophobicContact CG-CH2 4.11Å; P413-W428 HydrophobicContact CG-CZ3 4.03Å; N424-W428 WeakPolarHBondContact O-CB 3.07Å; N424-W428 PolarHBondContact O-N 3.27Å; I425-W428 PolarHBondContact O-N 3.25Å; W428-A430 VanDerWaalsContact C-N 3.28Å; W428-A430 PolarHBondContact O-N 2.88Å; W428-A431 PolarHBondContact O-N 2.89Å; W428-A431 VanDerWaalsContact O-N 3.08Å; W428-V432 PolarHBondContact O-N 3.23Å; W428-F444 HydrophobicContact CH2-CE2 4.35Å; W428-F444 HydrophobicContact CZ2-CD2 4.35Å; W428-F444 AromaticContact CZ2-CE2 3.7Å; W428-F444 HydrophobicContact CZ2-CE2 3.7Å; W428-F444 HydrophobicContact CZ2-CZ 4.34Å; W428-M456 HydrophobicContact CH2-CG 4.13Å; W428-M456 HydrophobicContact CH2-SD 4.18Å; W428-M456 HydrophobicContact CZ2-CE 3.8Å; W428-M456 HydrophobicContact CZ2-CG 4.01Å; W428-M456 HydrophobicContact CZ2-SD 3.97Å; W428-T539 VanDerWaalsContact CZ3-C 3.45Å; W428-T539 VanDerWaalsContact CZ3-O 3.28Å; W428-T539 WeakPolarHBondContact CZ3-O 3.4Å; W428-I541 HydrophobicContact CH2-CD1 3.99Å; W428-I541 HydrophobicContact CZ3-CD1 4.29Å
429	S	98.2	Very high	96.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-38.7	-179.9	-56.2	0	0	0	0	111.8	Y410 I425 D426 T433	Y410-S429 PolarHBondContact O-OG 2.69Å; I425-S429 WeakPolarHBondContact O-CB 3.4Å; I425-S429 PolarHBondContact O-N 2.63Å; I425-S429 PolarHBondContact O-OG 3.32Å; D426-S429 PolarHBondContact O-N 3.34Å; S429-T433 WeakPolarHBondContact O-CB 3.38Å; S429-T433 PolarHBondContact O-N 3.03Å; S429-T433 PolarHBondContact O-OG1 2.8Å
430	A	98.2	Very high	96.6	Very high	5 Å²	5	14.9 Å²	14.9	4%	0.041	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-44.7	172.8	0	0	0	0	0	112.5	L354 L358 D426 W428 T433 M434	L354-A430 HydrophobicContact CD2-CB 3.58Å; L354-A430 HydrophobicContact CG-CB 4.13Å; L358-A430 HydrophobicContact CD1-CB 4.17Å; D426-A430 VanDerWaalsContact O-CB 3.3Å; D426-A430 WeakPolarHBondContact O-CB 3.22Å; D426-A430 PolarHBondContact O-N 3.38Å; W428-A430 VanDerWaalsContact C-N 3.28Å; W428-A430 PolarHBondContact O-N 2.88Å; A430-T433 WeakPolarHBondContact O-CB 3.31Å; A430-T433 PolarHBondContact O-N 3.18Å; A430-M434 WeakPolarHBondContact O-CG 3.23Å; A430-M434 PolarHBondContact O-N 3.22Å
431	A	98	Very high	96.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.1	0	0	0	0	0	112.8	L427 W428 T433 M434 Y435 L535 V538 T539	L427-A431 PolarHBondContact O-N 3.4Å; L427-A431 VanDerWaalsContact O-N 3.14Å; W428-A431 PolarHBondContact O-N 2.89Å; W428-A431 VanDerWaalsContact O-N 3.08Å; A431-T433 PolarHBondContact O-N 3.26Å; A431-M434 PolarHBondContact O-N 3.06Å; A431-M434 VanDerWaalsContact O-N 3.11Å; A431-Y435 PolarHBondContact O-N 3.29Å; A431-L535 HydrophobicContact CB-CD2 3.92Å; A431-L535 WeakPolarHBondContact O-CD2 3.41Å; A431-V538 HydrophobicContact CB-CB 3.89Å; A431-V538 HydrophobicContact CB-CG1 3.47Å; A431-V538 VanDerWaalsContact CB-CG1 3.47Å; A431-T539 HydrophobicContact CB-CG2 4.07Å
432	V	98.1	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.8	-40.8	172.6	173.5	0	0	0	0	110.9	Y410 W428 E436 M443 F444	Y410-V432 HydrophobicContact CD1-CB 4.18Å; Y410-V432 HydrophobicContact CD1-CG1 3.6Å; Y410-V432 HydrophobicContact CE1-CG1 4.02Å; Y410-V432 HydrophobicContact CG-CG1 4.42Å; W428-V432 PolarHBondContact O-N 3.23Å; V432-E436 PolarHBondContact O-N 3.32Å; V432-M443 HydrophobicContact CG1-CB 3.94Å; V432-M443 HydrophobicContact CG2-SD 4.12Å; V432-F444 HydrophobicContact CG2-CD2 4.06Å; V432-F444 HydrophobicContact CG2-CE2 3.91Å
433	T	98	Very high	96.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.6	-46.3	173.7	-57.8	0	0	0	0	111.3	P373 I376 S429 A430 A431 Y435 E436 L437	P373-T433 HydrophobicContact CG-CG2 4.02Å; I376-T433 HydrophobicContact CD1-CG2 4.01Å; S429-T433 WeakPolarHBondContact O-CB 3.38Å; S429-T433 PolarHBondContact O-N 3.03Å; S429-T433 PolarHBondContact O-OG1 2.8Å; A430-T433 WeakPolarHBondContact O-CB 3.31Å; A430-T433 PolarHBondContact O-N 3.18Å; A431-T433 PolarHBondContact O-N 3.26Å; T433-Y435 PolarHBondContact O-N 3.19Å; T433-E436 PolarHBondContact O-N 2.92Å; T433-E436 VanDerWaalsContact O-N 3.09Å; T433-L437 HydrophobicContact CG2-CG 4.28Å; T433-L437 WeakPolarHBondContact O-CG 3.28Å; T433-L437 PolarHBondContact O-N 3.29Å
434	M	97.5	Very high	96.8	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.015	6%	0.059	C	C	.	.	H	α-helix	trans	-64.8	-36.5	-179.2	-65.1	-50.3	92	0	0	113.2	V347 T351 L354 A430 A431 E436 L437 Y438 L535	V347-M434 HydrophobicContact CG1-CB 4.44Å; T351-M434 HydrophobicContact CG2-CG 4.32Å; T351-M434 WeakPolarHBondContact OG1-CG 3.4Å; T351-M434 PolarHBondContact OG1-SD 3.35Å; L354-M434 HydrophobicContact CD2-CE 3.63Å; A430-M434 WeakPolarHBondContact O-CG 3.23Å; A430-M434 PolarHBondContact O-N 3.22Å; A431-M434 PolarHBondContact O-N 3.06Å; A431-M434 VanDerWaalsContact O-N 3.11Å; M434-E436 VanDerWaalsContact C-N 3.3Å; M434-E436 PolarHBondContact O-N 3.43Å; M434-L437 HydrophobicContact CE-CD1 3.42Å; M434-L437 VanDerWaalsContact CE-CD1 3.42Å; M434-L437 HydrophobicContact CE-CG 4.12Å; M434-L437 PolarHBondContact O-N 3.02Å; M434-L437 HydrophobicContact SD-CD1 3.94Å; M434-Y438 PolarHBondContact O-N 3.45Å; M434-Y438 VanDerWaalsContact O-N 3.12Å; M434-L535 HydrophobicContact CB-CD2 4.3Å
435	Y	98	Very high	96.7	Very high	6 Å²	6	15.3 Å²	15.3	2%	0.024	8%	0.075	C	C	.	.	H	α-helix	trans	-57.3	-45.8	170.3	171.1	-84.2	0	0	0	111	A431 T433 Y438 T439 R441 M443 L510 E513 L514 L535	A431-Y435 PolarHBondContact O-N 3.29Å; T433-Y435 PolarHBondContact O-N 3.19Å; Y435-Y438 PolarHBondContact O-N 2.73Å; Y435-T439 HydrophobicContact CD2-CG2 4.28Å; Y435-T439 HydrophobicContact CE1-CG2 4.22Å; Y435-T439 VanDerWaalsContact CE1-OG1 3.3Å; Y435-T439 WeakPolarHBondContact CE1-OG1 3.45Å; Y435-T439 HydrophobicContact CE2-CG2 3.91Å; Y435-T439 WeakPolarHBondContact O-CB 3.41Å; Y435-T439 WeakPolarHBondContact O-CG2 3.49Å; Y435-T439 PolarHBondContact O-N 3.43Å; Y435-T439 PolarHBondContact O-OG1 2.98Å; Y435-R441 WeakPolarHBondContact CD1-O 3.18Å; Y435-R441 HydrophobicContact CE1-CB 4.32Å; Y435-R441 VanDerWaalsContact CE1-O 3.25Å; Y435-R441 WeakPolarHBondContact CE1-O 3.45Å; Y435-M443 HydrophobicContact CD1-CB 3.43Å; Y435-M443 VanDerWaalsContact CD1-CB 3.43Å; Y435-M443 HydrophobicContact CD1-CG 3.58Å; Y435-M443 HydrophobicContact CD1-SD 4.37Å; Y435-M443 HydrophobicContact CD2-CE 3.98Å; Y435-M443 HydrophobicContact CD2-CG 4.11Å; Y435-M443 HydrophobicContact CD2-SD 4.35Å; Y435-M443 HydrophobicContact CE1-CB 3.88Å; Y435-M443 HydrophobicContact CE1-CG 3.95Å; Y435-M443 HydrophobicContact CE2-CG 4.42Å; Y435-M443 HydrophobicContact CG-CB 3.99Å; Y435-M443 HydrophobicContact CG-CE 4.18Å; Y435-M443 HydrophobicContact CG-CG 3.69Å; Y435-M443 HydrophobicContact CG-SD 3.94Å; Y435-L510 HydrophobicContact CD2-CD1 3.8Å; Y435-L510 HydrophobicContact CE2-CD1 3.87Å; Y435-E513 HydrophobicContact CE2-CB 4.27Å; Y435-E513 PolarHBondContact OH-OE2 2.89Å; Y435-L514 HydrophobicContact CD2-CD2 4Å; Y435-L514 HydrophobicContact CE2-CD2 4.25Å; Y435-L535 HydrophobicContact CD2-CD1 4.29Å
436	E	97.3	Very high	96.5	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-37.9	-179.4	178.9	174.2	-157.6	0	0	112.7	R330 L333 P373 Y410 V432 T433 M434 Y438 G440 R441 I442	R330-E436 IonicContact CZ-OE1 3.18Å; R330-E436 IonicContact NH1-OE1 2.73Å; R330-E436 PolarHBondContact NH1-OE1 3.09Å; R330-E436 IonicContact NH1-OE2 3.98Å; R330-E436 IonicContact NH2-OE1 2.8Å; L333-E436 HydrophobicContact CD1-CG 4.01Å; P373-E436 HydrophobicContact CG-CG 4.5Å; P373-E436 WeakPolarHBondContact CG-OE2 3.22Å; Y410-E436 VanDerWaalsContact CE1-OE2 3.31Å; Y410-E436 WeakPolarHBondContact CE1-OE2 3.4Å; Y410-E436 PolarHBondContact OH-OE2 3.37Å; V432-E436 PolarHBondContact O-N 3.32Å; T433-E436 PolarHBondContact O-N 2.92Å; T433-E436 VanDerWaalsContact O-N 3.09Å; M434-E436 VanDerWaalsContact C-N 3.3Å; M434-E436 PolarHBondContact O-N 3.43Å; E436-Y438 PolarHBondContact O-N 3.09Å; E436-G440 VanDerWaalsContact O-CA 3.3Å; E436-G440 WeakPolarHBondContact O-CA 3.46Å; E436-G440 PolarHBondContact O-N 3.39Å; E436-R441 VanDerWaalsContact CA-O 3.31Å; E436-R441 WeakPolarHBondContact CA-O 3.42Å; E436-R441 WeakPolarHBondContact CB-O 3.4Å; E436-I442 WeakPolarHBondContact OE1-CG1 3.47Å
437	L	96.9	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-38.3	173.1	-65.1	-168.7	0	0	0	111.6	L329 L333 G341 L342 V347 Y350 T433 M434	L329-L437 HydrophobicContact CB-CD2 3.91Å; L329-L437 HydrophobicContact CD1-CD1 3.75Å; L329-L437 HydrophobicContact CD1-CD2 3.91Å; L329-L437 HydrophobicContact CD1-CG 4.48Å; L329-L437 HydrophobicContact CG-CD2 4.4Å; L333-L437 HydrophobicContact CD1-CD2 4.02Å; L333-L437 HydrophobicContact CG-CD2 4.39Å; G341-L437 CarbonylContact C-O 3.48Å; L342-L437 WeakPolarHBondContact CB-O 3.36Å; L342-L437 HydrophobicContact CD1-CB 4.35Å; L342-L437 WeakPolarHBondContact CG-O 3.32Å; L342-L437 PolarHBondContact N-O 3.35Å; V347-L437 HydrophobicContact CG2-CB 4.3Å; Y350-L437 HydrophobicContact CD2-CD1 3.93Å; T433-L437 HydrophobicContact CG2-CG 4.28Å; T433-L437 WeakPolarHBondContact O-CG 3.28Å; T433-L437 PolarHBondContact O-N 3.29Å; M434-L437 HydrophobicContact CE-CD1 3.42Å; M434-L437 VanDerWaalsContact CE-CD1 3.42Å; M434-L437 HydrophobicContact CE-CG 4.12Å; M434-L437 PolarHBondContact O-N 3.02Å; M434-L437 HydrophobicContact SD-CD1 3.94Å
438	Y	96.3	Very high	95.8	Very high	8 Å²	8	26.8 Å²	26.8	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-80.9	-37.8	-179	-179.3	-109.6	0	0	0	113.8	G341 L342 V344 V347 M434 Y435 E436 L514 F520 I528 L531	G341-Y438 WeakPolarHBondContact CA-O 3.27Å; L342-Y438 WeakPolarHBondContact O-CD2 3.49Å; V344-Y438 HydrophobicContact CB-CD2 4.4Å; V344-Y438 HydrophobicContact CB-CE2 4.03Å; V344-Y438 HydrophobicContact CG2-CE2 4.45Å; V347-Y438 HydrophobicContact CG2-CD2 4.2Å; M434-Y438 PolarHBondContact O-N 3.45Å; M434-Y438 VanDerWaalsContact O-N 3.12Å; Y435-Y438 PolarHBondContact O-N 2.73Å; E436-Y438 PolarHBondContact O-N 3.09Å; Y438-L514 HydrophobicContact CD1-CD2 3.48Å; Y438-L514 VanDerWaalsContact CD1-CD2 3.48Å; Y438-L514 HydrophobicContact CE1-CB 4.06Å; Y438-L514 HydrophobicContact CE1-CD2 3.9Å; Y438-L514 VanDerWaalsContact CE1-O 3.32Å; Y438-L514 WeakPolarHBondContact CE1-O 3.4Å; Y438-L514 PolarHBondContact OH-O 3.11Å; Y438-F520 WeakPolarHBondContact OH-CZ 3.34Å; Y438-I528 WeakPolarHBondContact OH-CD1 3.28Å; Y438-I528 WeakPolarHBondContact OH-CG1 3.49Å; Y438-L531 HydrophobicContact CD1-CD2 3.74Å; Y438-L531 HydrophobicContact CD2-CD2 4.22Å; Y438-L531 HydrophobicContact CE1-CD2 4.32Å; Y438-L531 HydrophobicContact CG-CD2 3.67Å
439	T	94.5	Very high	95.5	Very high	11 Å²	11	27.5 Å²	27.5	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-98.4	-13.3	-174.3	60.4	0	0	0	0	114.8	E339 Y435 R441 L514	E339-T439 CarbonylContact C-O 3.46Å; Y435-T439 HydrophobicContact CD2-CG2 4.28Å; Y435-T439 HydrophobicContact CE1-CG2 4.22Å; Y435-T439 VanDerWaalsContact CE1-OG1 3.3Å; Y435-T439 WeakPolarHBondContact CE1-OG1 3.45Å; Y435-T439 HydrophobicContact CE2-CG2 3.91Å; Y435-T439 WeakPolarHBondContact O-CB 3.41Å; Y435-T439 WeakPolarHBondContact O-CG2 3.49Å; Y435-T439 PolarHBondContact O-N 3.43Å; Y435-T439 PolarHBondContact O-OG1 2.98Å; T439-R441 PolarHBondContact O-N 2.81Å; T439-R441 PolarHBondContact OG1-N 3.1Å; T439-R441 PolarHBondContact OG1-O 3.19Å; T439-L514 HydrophobicContact CG2-CD2 3.98Å
440	G	94.2	Very high	95.4	Very high	22 Å²	22	27.7 Å²	27.7	23%	0.227	13%	0.13	C	C	.	.	S	Bend	trans	63.3	16.2	-168.2	0	0	0	0	0	114	E436	E436-G440 VanDerWaalsContact O-CA 3.3Å; E436-G440 WeakPolarHBondContact O-CA 3.46Å; E436-G440 PolarHBondContact O-N 3.39Å
441	R	94.3	Very high	95.2	Very high	101 Å²	101	29.1 Å²	29.1	38%	0.381	14%	0.136	S	C	.	.	S	Bend	trans	-124.7	133.4	-176.4	-68.8	169	171	164.6	-0.3	110.6	E339 Y435 E436 T439 M443	E339-R441 HydrophobicContact CB-CG 4.22Å; E339-R441 HydrophobicContact CG-CG 3.71Å; E339-R441 IonicContact OE2-CZ 3.09Å; E339-R441 IonicContact OE2-NE 2.67Å; E339-R441 PolarHBondContact OE2-NE 2.98Å; E339-R441 IonicContact OE2-NH2 3.94Å; E339-R441 PolarHBondContact OE2-NH2 2.67Å; Y435-R441 WeakPolarHBondContact CD1-O 3.18Å; Y435-R441 HydrophobicContact CE1-CB 4.32Å; Y435-R441 VanDerWaalsContact CE1-O 3.25Å; Y435-R441 WeakPolarHBondContact CE1-O 3.45Å; E436-R441 VanDerWaalsContact CA-O 3.31Å; E436-R441 WeakPolarHBondContact CA-O 3.42Å; E436-R441 WeakPolarHBondContact CB-O 3.4Å; T439-R441 PolarHBondContact O-N 2.81Å; T439-R441 PolarHBondContact OG1-N 3.1Å; T439-R441 PolarHBondContact OG1-O 3.19Å; R441-M443 PolarHBondContact O-N 2.91Å
442	I	94.8	Very high	95.2	Very high	38 Å²	38	29 Å²	29	20%	0.195	14%	0.135	C	C	.	.			trans	-64.3	127.4	170.5	-63.4	162.7	0	0	0	108.9	F409 E436 F444 Q445	F409-I442 HydrophobicContact CB-CG2 3.67Å; F409-I442 HydrophobicContact CD1-CG2 4.5Å; F409-I442 HydrophobicContact CD2-CD1 3.92Å; F409-I442 HydrophobicContact CD2-CG2 4.02Å; F409-I442 HydrophobicContact CE2-CD1 4.02Å; F409-I442 HydrophobicContact CG-CG2 3.84Å; E436-I442 WeakPolarHBondContact OE1-CG1 3.47Å; I442-F444 PolarHBondContact O-N 2.94Å; I442-Q445 HydrophobicContact CB-CG 3.57Å; I442-Q445 HydrophobicContact CD1-CG 4.48Å; I442-Q445 HydrophobicContact CG2-CG 3.6Å; I442-Q445 PolarHBondContact O-NE2 2.7Å
443	M	96.2	Very high	95.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-64.5	-37.1	-173.2	-159.5	178.3	-167.7	0	0	114.1	V432 Y435 R441 L459 R508 L510 T539	V432-M443 HydrophobicContact CG1-CB 3.94Å; V432-M443 HydrophobicContact CG2-SD 4.12Å; Y435-M443 HydrophobicContact CD1-CB 3.43Å; Y435-M443 VanDerWaalsContact CD1-CB 3.43Å; Y435-M443 HydrophobicContact CD1-CG 3.58Å; Y435-M443 HydrophobicContact CD1-SD 4.37Å; Y435-M443 HydrophobicContact CD2-CE 3.98Å; Y435-M443 HydrophobicContact CD2-CG 4.11Å; Y435-M443 HydrophobicContact CD2-SD 4.35Å; Y435-M443 HydrophobicContact CE1-CB 3.88Å; Y435-M443 HydrophobicContact CE1-CG 3.95Å; Y435-M443 HydrophobicContact CE2-CG 4.42Å; Y435-M443 HydrophobicContact CG-CB 3.99Å; Y435-M443 HydrophobicContact CG-CE 4.18Å; Y435-M443 HydrophobicContact CG-CG 3.69Å; Y435-M443 HydrophobicContact CG-SD 3.94Å; R441-M443 PolarHBondContact O-N 2.91Å; M443-L459 HydrophobicContact CE-CD2 3.82Å; M443-R508 PolarHBondContact O-NH1 3.34Å; M443-R508 PolarHBondContact O-NH2 3.06Å; M443-R508 VanDerWaalsContact O-NH2 3.09Å; M443-L510 HydrophobicContact CE-CD1 3.72Å; M443-T539 HydrophobicContact CE-CG2 4.28Å; M443-T539 HydrophobicContact SD-CG2 4.31Å
444	F	96.4	Very high	95	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	14%	0.141	C	C	.	.			trans	-137.4	96.5	-176.3	-56.3	-62.5	0	0	0	110	F409 W428 V432 I442 G446 M452 F455 M456 L459	F409-F444 WeakPolarHBondContact CD1-O 3.46Å; W428-F444 HydrophobicContact CH2-CE2 4.35Å; W428-F444 HydrophobicContact CZ2-CD2 4.35Å; W428-F444 AromaticContact CZ2-CE2 3.7Å; W428-F444 HydrophobicContact CZ2-CE2 3.7Å; W428-F444 HydrophobicContact CZ2-CZ 4.34Å; V432-F444 HydrophobicContact CG2-CD2 4.06Å; V432-F444 HydrophobicContact CG2-CE2 3.91Å; I442-F444 PolarHBondContact O-N 2.94Å; F444-G446 VanDerWaalsContact C-N 3.28Å; F444-G446 PolarHBondContact O-N 3.28Å; F444-M452 HydrophobicContact CB-CE 3.47Å; F444-M452 VanDerWaalsContact CB-CE 3.47Å; F444-M452 HydrophobicContact CB-SD 4.02Å; F444-M452 HydrophobicContact CG-CE 4.33Å; F444-M452 VanDerWaalsContact O-SD 3.32Å; F444-F455 HydrophobicContact CD1-CB 3.99Å; F444-M456 HydrophobicContact CD1-CG 4.39Å; F444-M456 HydrophobicContact CE1-CG 4.29Å; F444-M456 HydrophobicContact CE2-CG 4.46Å; F444-M456 HydrophobicContact CZ-CG 4.32Å; F444-L459 HydrophobicContact CE1-CD2 4.03Å; F444-L459 HydrophobicContact CZ-CD2 3.9Å
445	Q	93.9	Very high	95	Very high	109 Å²	109	32.5 Å²	32.5	51%	0.509	15%	0.15	S	C	.	.			trans	-92.1	42.9	-172.7	-67	173.9	40.7	0	0	112.8	I442 R447	I442-Q445 HydrophobicContact CB-CG 3.57Å; I442-Q445 HydrophobicContact CD1-CG 4.48Å; I442-Q445 HydrophobicContact CG2-CG 3.6Å; I442-Q445 PolarHBondContact O-NE2 2.7Å; Q445-R447 PolarHBondContact O-N 2.86Å
446	G	91.4	Very high	95	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.			trans	-72	124.3	-172.9	0	0	0	0	0	112.9	R408 F444 S448 M452	R408-G446 WeakPolarHBondContact CD-O 3.41Å; F444-G446 VanDerWaalsContact C-N 3.28Å; F444-G446 PolarHBondContact O-N 3.28Å; G446-S448 PolarHBondContact O-N 2.95Å; G446-M452 VanDerWaalsContact CA-SD 3.6Å; G446-M452 PolarHBondContact N-SD 3.31Å; G446-M452 VanDerWaalsContact N-SD 3.4Å
447	R	90.3	Very high	94.9	Very high	205 Å²	205	32 Å²	32	77%	0.774	15%	0.148	S	C	*	.	S	Bend	trans	-67.2	-24.2	177.8	-64.4	-179	179.7	-165.9	-2	113.1	R408 Q445	R408-R447 PolarHBondContact NH1-O 3.37Å; Q445-R447 PolarHBondContact O-N 2.86Å
448	S	91.3	Very high	94.9	Very high	46 Å²	46	32.6 Å²	32.6	32%	0.322	15%	0.151	S	C	.	.	S	Bend	trans	-138.4	163.7	178.4	68.7	0	0	0	0	111	G446 N450 Q451 M452	G446-S448 PolarHBondContact O-N 2.95Å; S448-N450 PolarHBondContact O-N 3.07Å; S448-N450 PolarHBondContact OG-N 2.75Å; S448-Q451 PolarHBondContact O-N 3.03Å; S448-Q451 PolarHBondContact OG-N 2.84Å; S448-M452 WeakPolarHBondContact O-CG 3.48Å; S448-M452 PolarHBondContact O-N 3.05Å
449	N	92.9	Very high	94.9	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.08	15%	0.153	C	C	.	.	H	α-helix	trans	-51.7	-37.1	170.6	-91.5	8.8	0	0	0	112.3	P403 R411 I416 M452 L453	P403-N449 PolarHBondContact O-ND2 3.24Å; R411-N449 PolarHBondContact NH1-OD1 2.87Å; I416-N449 HydrophobicContact CG2-CB 3.69Å; N449-M452 PolarHBondContact O-N 3.31Å; N449-L453 WeakPolarHBondContact O-CG 3.4Å; N449-L453 PolarHBondContact O-N 2.97Å
450	N	95.2	Very high	95	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-47.6	176.5	-169.4	-76.4	0	0	0	111.4	S448 M452 L453 K454 H477 F484 L485 R487	S448-N450 PolarHBondContact O-N 3.07Å; S448-N450 PolarHBondContact OG-N 2.75Å; N450-M452 VanDerWaalsContact C-N 3.32Å; N450-M452 PolarHBondContact O-N 3.33Å; N450-L453 PolarHBondContact O-N 3.24Å; N450-K454 PolarHBondContact O-N 3.45Å; N450-K454 VanDerWaalsContact O-N 3.11Å; N450-H477 PolarHBondContact N-CE1 3.48Å; N450-H477 PolarHBondContact ND2-ND1 2.7Å; N450-F484 WeakPolarHBondContact O-CZ 3.46Å; N450-F484 WeakPolarHBondContact OD1-CZ 3.33Å; N450-L485 PolarHBondContact ND2-O 3.32Å; N450-L485 PolarHBondContact OD1-O 3.06Å; N450-R487 HydrophobicContact CB-CB 4.32Å; N450-R487 PolarHBondContact OD1-N 3.49Å
451	Q	94.9	Very high	95	Very high	34 Å²	34	33.9 Å²	33.9	16%	0.159	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-29.2	178.1	-167.8	170.6	54	0	0	113.2	S448 K454 F455 Y486	S448-Q451 PolarHBondContact O-N 3.03Å; S448-Q451 PolarHBondContact OG-N 2.84Å; Q451-K454 WeakPolarHBondContact O-CB 3.43Å; Q451-K454 PolarHBondContact O-N 2.82Å; Q451-F455 HydrophobicContact CG-CD2 4.24Å; Q451-F455 HydrophobicContact CG-CE1 4.05Å; Q451-F455 HydrophobicContact CG-CE2 3.75Å; Q451-F455 HydrophobicContact CG-CZ 3.64Å; Q451-F455 WeakPolarHBondContact O-CG 3.49Å; Q451-F455 PolarHBondContact O-N 2.78Å; Q451-Y486 HydrophobicContact CB-CE2 4.47Å; Q451-Y486 HydrophobicContact CG-CE2 4.29Å; Q451-Y486 PolarHBondContact NE2-OH 3.4Å
452	M	96.2	Very high	95	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-50.6	170.1	-73.5	-62	-58.9	0	0	111.4	R408 F409 I416 F444 G446 S448 N449 N450 K454 F455 M456	R408-M452 HydrophobicContact CG-CG 3.96Å; R408-M452 HydrophobicContact CG-SD 4.41Å; R408-M452 WeakPolarHBondContact O-CE 3.47Å; F409-M452 HydrophobicContact CD1-SD 4.25Å; I416-M452 HydrophobicContact CD1-CB 3.67Å; I416-M452 HydrophobicContact CD1-CG 4.46Å; F444-M452 HydrophobicContact CB-CE 3.47Å; F444-M452 VanDerWaalsContact CB-CE 3.47Å; F444-M452 HydrophobicContact CB-SD 4.02Å; F444-M452 HydrophobicContact CG-CE 4.33Å; F444-M452 VanDerWaalsContact O-SD 3.32Å; G446-M452 VanDerWaalsContact CA-SD 3.6Å; G446-M452 PolarHBondContact N-SD 3.31Å; G446-M452 VanDerWaalsContact N-SD 3.4Å; S448-M452 WeakPolarHBondContact O-CG 3.48Å; S448-M452 PolarHBondContact O-N 3.05Å; N449-M452 PolarHBondContact O-N 3.31Å; N450-M452 VanDerWaalsContact C-N 3.32Å; N450-M452 PolarHBondContact O-N 3.33Å; M452-K454 VanDerWaalsContact C-N 3.28Å; M452-K454 PolarHBondContact O-N 3.17Å; M452-F455 PolarHBondContact O-N 3.13Å; M452-M456 HydrophobicContact CB-CE 4.31Å; M452-M456 HydrophobicContact CE-CE 3.86Å; M452-M456 VanDerWaalsContact O-CG 3.28Å; M452-M456 WeakPolarHBondContact O-CG 3.19Å; M452-M456 PolarHBondContact O-N 2.97Å
453	L	97	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-38.7	176	-63.7	174.7	0	0	0	112.1	P413 I416 L417 N449 N450 M456 M457 M463 H477 F484	P413-L453 HydrophobicContact CB-CD2 4.27Å; I416-L453 HydrophobicContact CB-CD2 4.13Å; I416-L453 HydrophobicContact CB-CG 4.49Å; I416-L453 HydrophobicContact CD1-CD2 4.19Å; I416-L453 HydrophobicContact CD1-CG 4.41Å; I416-L453 HydrophobicContact CG2-CD1 3.82Å; I416-L453 HydrophobicContact CG2-CD2 3.94Å; I416-L453 HydrophobicContact CG2-CG 3.79Å; L417-L453 HydrophobicContact CD2-CD1 3.87Å; L417-L453 HydrophobicContact CD2-CD2 4.23Å; L417-L453 HydrophobicContact CG-CD2 4.18Å; N449-L453 WeakPolarHBondContact O-CG 3.4Å; N449-L453 PolarHBondContact O-N 2.97Å; N450-L453 PolarHBondContact O-N 3.24Å; L453-M456 HydrophobicContact CD2-SD 4.35Å; L453-M456 PolarHBondContact O-N 3.5Å; L453-M457 HydrophobicContact CB-CE 4.22Å; L453-M457 VanDerWaalsContact O-CE 3.28Å; L453-M457 WeakPolarHBondContact O-CE 3.26Å; L453-M457 WeakPolarHBondContact O-CG 3.49Å; L453-M457 PolarHBondContact O-N 3.02Å; L453-M463 HydrophobicContact CB-CE 4.26Å; L453-M463 HydrophobicContact CD2-CE 3.54Å; L453-M463 HydrophobicContact CD2-SD 4.23Å; L453-M463 HydrophobicContact CG-CE 4.47Å; L453-H477 HydrophobicContact CD1-CB 3.84Å; L453-H477 VanDerWaalsContact CD1-CG 3.45Å; L453-F484 HydrophobicContact CB-CE2 4.02Å; L453-F484 HydrophobicContact CB-CZ 4.31Å; L453-F484 HydrophobicContact CD1-CE2 4.29Å
454	K	96.3	Very high	94.9	Very high	25 Å²	25	32.5 Å²	32.5	11%	0.109	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-52.8	174.7	179.1	58.7	168.2	70.9	0	111.4	N450 Q451 M452 M456 M457 D458 F484 Y486 M501	N450-K454 PolarHBondContact O-N 3.45Å; N450-K454 VanDerWaalsContact O-N 3.11Å; Q451-K454 WeakPolarHBondContact O-CB 3.43Å; Q451-K454 PolarHBondContact O-N 2.82Å; M452-K454 VanDerWaalsContact C-N 3.28Å; M452-K454 PolarHBondContact O-N 3.17Å; K454-M456 VanDerWaalsContact C-N 3.3Å; K454-M456 PolarHBondContact O-N 2.64Å; K454-M457 CarbonylContact O-C 3.59Å; K454-M457 PolarHBondContact O-N 2.89Å; K454-M457 VanDerWaalsContact O-N 3.1Å; K454-D458 IonicContact NZ-OD1 2.72Å; K454-D458 PolarHBondContact NZ-OD1 3.41Å; K454-D458 IonicContact NZ-OD2 3.65Å; K454-D458 PolarHBondContact NZ-OD2 2.8Å; K454-D458 VanDerWaalsContact O-CG 3.29Å; K454-D458 PolarHBondContact O-N 3.19Å; K454-F484 HydrophobicContact CB-CE1 3.89Å; K454-F484 HydrophobicContact CB-CZ 4.13Å; K454-F484 HydrophobicContact CD-CE1 4.09Å; K454-F484 HydrophobicContact CG-CE1 4.45Å; K454-Y486 HydrophobicContact CB-CD2 3.91Å; K454-Y486 HydrophobicContact CB-CE2 3.82Å; K454-Y486 HydrophobicContact CD-CD1 4.39Å; K454-Y486 HydrophobicContact CD-CD2 4.38Å; K454-Y486 HydrophobicContact CD-CG 4.33Å; K454-Y486 HydrophobicContact CG-CD1 4.45Å; K454-Y486 HydrophobicContact CG-CD2 3.93Å; K454-Y486 HydrophobicContact CG-CE1 4.24Å; K454-Y486 HydrophobicContact CG-CE2 3.71Å; K454-Y486 HydrophobicContact CG-CG 4.34Å; K454-M501 HydrophobicContact CD-SD 4.09Å; K454-M501 VanDerWaalsContact CE-SD 3.57Å
455	F	96.5	Very high	94.8	Very high	50 Å²	50	35.2 Å²	35.2	22%	0.219	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-27.3	-179.2	-63.9	-22.6	0	0	0	113.8	F444 Q451 M452	F444-F455 HydrophobicContact CD1-CB 3.99Å; Q451-F455 HydrophobicContact CG-CD2 4.24Å; Q451-F455 HydrophobicContact CG-CE1 4.05Å; Q451-F455 HydrophobicContact CG-CE2 3.75Å; Q451-F455 HydrophobicContact CG-CZ 3.64Å; Q451-F455 WeakPolarHBondContact O-CG 3.49Å; Q451-F455 PolarHBondContact O-N 2.78Å; M452-F455 PolarHBondContact O-N 3.13Å
456	M	97.5	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-42.7	169.2	-67.9	170.7	-170.3	0	0	111.6	R411 P413 I416 W428 F444 M452 L453 K454 L459 K460 M463 I541	R411-M456 WeakPolarHBondContact O-CE 3.39Å; P413-M456 HydrophobicContact CB-SD 3.75Å; P413-M456 HydrophobicContact CG-SD 4.16Å; I416-M456 HydrophobicContact CD1-CE 3.91Å; W428-M456 HydrophobicContact CH2-CG 4.13Å; W428-M456 HydrophobicContact CH2-SD 4.18Å; W428-M456 HydrophobicContact CZ2-CE 3.8Å; W428-M456 HydrophobicContact CZ2-CG 4.01Å; W428-M456 HydrophobicContact CZ2-SD 3.97Å; F444-M456 HydrophobicContact CD1-CG 4.39Å; F444-M456 HydrophobicContact CE1-CG 4.29Å; F444-M456 HydrophobicContact CE2-CG 4.46Å; F444-M456 HydrophobicContact CZ-CG 4.32Å; M452-M456 HydrophobicContact CB-CE 4.31Å; M452-M456 HydrophobicContact CE-CE 3.86Å; M452-M456 VanDerWaalsContact O-CG 3.28Å; M452-M456 WeakPolarHBondContact O-CG 3.19Å; M452-M456 PolarHBondContact O-N 2.97Å; L453-M456 HydrophobicContact CD2-SD 4.35Å; L453-M456 PolarHBondContact O-N 3.5Å; K454-M456 VanDerWaalsContact C-N 3.3Å; K454-M456 PolarHBondContact O-N 2.64Å; M456-L459 PolarHBondContact O-N 2.91Å; M456-K460 WeakPolarHBondContact O-CB 3.22Å; M456-K460 PolarHBondContact O-N 2.89Å; M456-M463 HydrophobicContact CB-CE 4.29Å; M456-M463 HydrophobicContact SD-CE 4.44Å; M456-I541 HydrophobicContact CB-CD1 3.85Å
457	M	96.8	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-74.8	-25.7	177.4	-67.8	-176.5	-76.7	0	0	113.6	L453 K454 L459 K460 G461 M463 F484 I504	L453-M457 HydrophobicContact CB-CE 4.22Å; L453-M457 VanDerWaalsContact O-CE 3.28Å; L453-M457 WeakPolarHBondContact O-CE 3.26Å; L453-M457 WeakPolarHBondContact O-CG 3.49Å; L453-M457 PolarHBondContact O-N 3.02Å; K454-M457 CarbonylContact O-C 3.59Å; K454-M457 PolarHBondContact O-N 2.89Å; K454-M457 VanDerWaalsContact O-N 3.1Å; M457-L459 PolarHBondContact O-N 3.19Å; M457-K460 PolarHBondContact O-N 3.04Å; M457-G461 WeakPolarHBondContact CA-O 3.42Å; M457-G461 WeakPolarHBondContact CB-O 3.39Å; M457-G461 WeakPolarHBondContact CG-O 3.13Å; M457-G461 CarbonylContact O-C 3.46Å; M457-G461 WeakPolarHBondContact O-CA 3.44Å; M457-G461 PolarHBondContact O-N 2.93Å; M457-M463 HydrophobicContact CG-CE 3.94Å; M457-M463 HydrophobicContact CG-CG 3.66Å; M457-M463 HydrophobicContact SD-CB 4.4Å; M457-M463 HydrophobicContact SD-CG 3.61Å; M457-F484 HydrophobicContact CE-CB 4.18Å; M457-F484 HydrophobicContact CE-CD1 3.77Å; M457-F484 HydrophobicContact CE-CD2 3.53Å; M457-F484 HydrophobicContact CE-CE1 3.96Å; M457-F484 HydrophobicContact CE-CE2 3.74Å; M457-F484 HydrophobicContact CE-CG 3.56Å; M457-F484 HydrophobicContact CE-CZ 3.95Å; M457-I504 HydrophobicContact CB-CD1 4.1Å; M457-I504 HydrophobicContact CB-CG2 3.99Å; M457-I504 HydrophobicContact CE-CD1 3.63Å; M457-I504 HydrophobicContact CG-CD1 4.45Å; M457-I504 HydrophobicContact SD-CD1 3.46Å; M457-I504 WeakPolarHBondContact SD-CD1 3.42Å
458	D	96.3	Very high	95.3	Very high	13 Å²	13	28.9 Å²	28.9	7%	0.07	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-23.4	171.2	-71.5	-33.9	0	0	0	112.4	K454 S507 R508	K454-D458 IonicContact NZ-OD1 2.72Å; K454-D458 PolarHBondContact NZ-OD1 3.41Å; K454-D458 IonicContact NZ-OD2 3.65Å; K454-D458 PolarHBondContact NZ-OD2 2.8Å; K454-D458 VanDerWaalsContact O-CG 3.29Å; K454-D458 PolarHBondContact O-N 3.19Å; D458-S507 WeakPolarHBondContact CB-OG 3.17Å; D458-S507 PolarHBondContact O-N 3.34Å; D458-S507 PolarHBondContact OD1-OG 3.45Å; D458-R508 HydrophobicContact CB-CG 4.38Å; D458-R508 PolarHBondContact O-N 2.91Å
459	L	96.3	Very high	95.4	Very high	12 Å²	12	34 Å²	34	6%	0.063	16%	0.158	C	C	.	.	H	α-helix	trans	-95.5	-34.6	174.9	-175.4	65.6	0	0	0	113.3	M443 F444 M456 M457 R508 L510	M443-L459 HydrophobicContact CE-CD2 3.82Å; F444-L459 HydrophobicContact CE1-CD2 4.03Å; F444-L459 HydrophobicContact CZ-CD2 3.9Å; M456-L459 PolarHBondContact O-N 2.91Å; M457-L459 PolarHBondContact O-N 3.19Å; L459-R508 HydrophobicContact CD1-CB 3.99Å; L459-L510 HydrophobicContact CD1-CB 4.16Å
460	K	95.5	Very high	95.5	Very high	46 Å²	46	39.2 Å²	39.2	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-115.5	-1.1	-169.2	-59	-68	178.4	162.4	0	115.1	M456 M457 D536 T539 I541	M456-K460 WeakPolarHBondContact O-CB 3.22Å; M456-K460 PolarHBondContact O-N 2.89Å; M457-K460 PolarHBondContact O-N 3.04Å; K460-D536 PolarHBondContact NZ-O 2.96Å; K460-D536 IonicContact NZ-OD1 2.67Å; K460-D536 PolarHBondContact NZ-OD1 3.41Å; K460-T539 WeakPolarHBondContact CE-O 3.25Å; K460-T539 VanDerWaalsContact CE-OG1 3.22Å; K460-T539 WeakPolarHBondContact CE-OG1 3.48Å; K460-T539 PolarHBondContact NZ-O 3.13Å; K460-T539 PolarHBondContact NZ-OG1 2.96Å; K460-I541 HydrophobicContact CB-CD1 3.97Å; K460-I541 HydrophobicContact CB-CG1 3.61Å; K460-I541 HydrophobicContact CG-CD1 3.82Å; K460-I541 HydrophobicContact CG-CG1 3.85Å
461	G	94.7	Very high	95.5	Very high	11 Å²	11	39.2 Å²	39.2	11%	0.113	18%	0.181	C	C	.	.			trans	75.1	178.4	-170.4	0	0	0	0	0	112.9	M457 M463	M457-G461 WeakPolarHBondContact CA-O 3.42Å; M457-G461 WeakPolarHBondContact CB-O 3.39Å; M457-G461 WeakPolarHBondContact CG-O 3.13Å; M457-G461 CarbonylContact O-C 3.46Å; M457-G461 WeakPolarHBondContact O-CA 3.44Å; M457-G461 PolarHBondContact O-N 2.93Å; G461-M463 PolarHBondContact O-N 3.05Å
462	K	94.1	Very high	95.5	Very high	55 Å²	55	42.9 Å²	42.9	24%	0.239	20%	0.198	C	C	.	.	S	Bend	trans	-55.7	134.1	179.1	-178.9	175	179.5	175.8	0	112.3	F482 S502 I504	K462-F482 WeakPolarHBondContact CE-O 3.22Å; K462-F482 PolarHBondContact NZ-O 3.46Å; K462-S502 VanDerWaalsContact CD-O 3.26Å; K462-S502 WeakPolarHBondContact CD-O 3.14Å; K462-S502 PolarHBondContact NZ-O 3.24Å; K462-I504 HydrophobicContact CB-CB 4.39Å
463	M	95	Very high	95.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-61	139.8	178.5	-54.9	-157.4	171.7	0	0	112.1	P413 L417 L453 M456 M457 G461 N465 I468 I541	P413-M463 HydrophobicContact CB-CE 4.1Å; L417-M463 HydrophobicContact CD1-SD 3.93Å; L453-M463 HydrophobicContact CB-CE 4.26Å; L453-M463 HydrophobicContact CD2-CE 3.54Å; L453-M463 HydrophobicContact CD2-SD 4.23Å; L453-M463 HydrophobicContact CG-CE 4.47Å; M456-M463 HydrophobicContact CB-CE 4.29Å; M456-M463 HydrophobicContact SD-CE 4.44Å; M457-M463 HydrophobicContact CG-CE 3.94Å; M457-M463 HydrophobicContact CG-CG 3.66Å; M457-M463 HydrophobicContact SD-CB 4.4Å; M457-M463 HydrophobicContact SD-CG 3.61Å; G461-M463 PolarHBondContact O-N 3.05Å; M463-N465 PolarHBondContact O-N 2.89Å; M463-I468 HydrophobicContact CB-CD1 4.23Å; M463-I468 HydrophobicContact CB-CG1 4.19Å; M463-I468 WeakPolarHBondContact O-CD1 3.39Å; M463-I541 HydrophobicContact CB-CG2 4.35Å; M463-I541 HydrophobicContact CE-CD1 4.33Å; M463-I541 HydrophobicContact CE-CG2 3.74Å; M463-I541 HydrophobicContact CG-CG2 3.8Å; M463-I541 HydrophobicContact SD-CG2 3.56Å; M463-I541 VanDerWaalsContact SD-CG2 3.56Å
464	P	94.5	Very high	95.1	Very high	54 Å²	54	48.3 Å²	48.3	35%	0.351	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-63.1	132.8	-178.7	-23.3	33.7	0	0	0	112.9	K466 L467 I468	P464-K466 PolarHBondContact O-N 3.27Å; P464-L467 WeakPolarHBondContact O-CA 3.19Å; P464-L467 WeakPolarHBondContact O-CB 3.28Å; P464-L467 PolarHBondContact O-N 2.98Å; P464-I468 PolarHBondContact O-N 3.12Å
465	N	94.8	Very high	95	Very high	58 Å²	58	52.2 Å²	52.2	31%	0.31	24%	0.243	S	C	.	.	H	α-helix	trans	-57.3	-23.8	178.6	-59.2	22	0	0	0	113.4	M463 L467 R469 F482	M463-N465 PolarHBondContact O-N 2.89Å; N465-L467 VanDerWaalsContact C-N 3.31Å; N465-R469 VanDerWaalsContact O-CG 3.3Å; N465-R469 WeakPolarHBondContact O-CG 3.43Å; N465-R469 PolarHBondContact O-N 3.35Å; N465-F482 HydrophobicContact CB-CB 4.42Å; N465-F482 HydrophobicContact CB-CD2 4.28Å; N465-F482 HydrophobicContact CB-CG 4.32Å
466	K	94.7	Very high	94.8	Very high	175 Å²	175	54 Å²	54	76%	0.761	25%	0.253	S	S	*	.	H	α-helix	trans	-66.2	-29.7	172	-71.7	-172.3	179.1	-177.8	0	113.2	P464	P464-K466 PolarHBondContact O-N 3.27Å
467	L	94.2	Very high	94.7	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-81	-47.2	176.5	-171.1	69.5	0	0	0	110.3	I419 P464 N465 R469 K470 I541	I419-L467 HydrophobicContact CD1-CD1 3.68Å; I419-L467 HydrophobicContact CD1-CG 3.72Å; P464-L467 WeakPolarHBondContact O-CA 3.19Å; P464-L467 WeakPolarHBondContact O-CB 3.28Å; P464-L467 PolarHBondContact O-N 2.98Å; N465-L467 VanDerWaalsContact C-N 3.31Å; L467-R469 PolarHBondContact O-N 3.49Å; L467-K470 WeakPolarHBondContact O-CB 3.32Å; L467-K470 PolarHBondContact O-N 3.42Å; L467-I541 HydrophobicContact CD2-CG2 3.82Å
468	I	95.7	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-32.1	-179.7	-52.5	165.6	0	0	0	111.6	M463 P464 K470 A471 K474 F478 F482	M463-I468 HydrophobicContact CB-CD1 4.23Å; M463-I468 HydrophobicContact CB-CG1 4.19Å; M463-I468 WeakPolarHBondContact O-CD1 3.39Å; P464-I468 PolarHBondContact O-N 3.12Å; I468-K470 VanDerWaalsContact C-N 3.26Å; I468-K470 PolarHBondContact O-N 3.24Å; I468-A471 WeakPolarHBondContact O-CB 3.39Å; I468-A471 PolarHBondContact O-N 3.32Å; I468-K474 HydrophobicContact CG2-CB 4.13Å; I468-F478 HydrophobicContact CD1-CD1 3.79Å; I468-F478 HydrophobicContact CD1-CE1 3.52Å; I468-F478 HydrophobicContact CD1-CE2 4.45Å; I468-F478 HydrophobicContact CD1-CG 4.38Å; I468-F478 HydrophobicContact CD1-CZ 3.89Å; I468-F478 HydrophobicContact CG1-CE1 4.17Å; I468-F478 HydrophobicContact CG1-CE2 4.24Å; I468-F478 HydrophobicContact CG1-CZ 4.03Å; I468-F478 HydrophobicContact CG2-CB 4.19Å; I468-F478 HydrophobicContact CG2-CD1 4.28Å; I468-F478 HydrophobicContact CG2-CD2 3.63Å; I468-F478 HydrophobicContact CG2-CE2 4.05Å; I468-F478 HydrophobicContact CG2-CG 3.77Å; I468-F482 HydrophobicContact CB-CD1 4.04Å; I468-F482 HydrophobicContact CD1-CB 4.06Å; I468-F482 HydrophobicContact CG2-CD1 3.7Å; I468-F482 HydrophobicContact CG2-CE1 4.44Å
469	R	95.1	Very high	94.6	Very high	152 Å²	152	55.8 Å²	55.8	57%	0.574	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.7	174.1	-74.1	173.7	-164.9	139.6	-0.3	115	N465 L467 F482	N465-R469 VanDerWaalsContact O-CG 3.3Å; N465-R469 WeakPolarHBondContact O-CG 3.43Å; N465-R469 PolarHBondContact O-N 3.35Å; L467-R469 PolarHBondContact O-N 3.49Å; R469-F482 HydrophobicContact CG-CE1 3.64Å; R469-F482 HydrophobicContact CG-CE2 4.41Å; R469-F482 HydrophobicContact CG-CZ 3.55Å
470	K	94.5	Very high	94.4	Very high	125 Å²	125	58.6 Å²	58.6	54%	0.543	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.8	175.6	-60.3	-176	-174.7	-177.5	0	113.1	I419 L467 I468	I419-K470 HydrophobicContact CG1-CB 4.37Å; I419-K470 HydrophobicContact CG2-CB 4.47Å; L467-K470 WeakPolarHBondContact O-CB 3.32Å; L467-K470 PolarHBondContact O-N 3.42Å; I468-K470 VanDerWaalsContact C-N 3.26Å; I468-K470 PolarHBondContact O-N 3.24Å
471	A	94.7	Very high	94.3	Very high	5 Å²	5	62 Å²	62	4%	0.041	31%	0.314	C	S	.	.			trans	-77.9	123.1	-172.8	0	0	0	0	0	111.4	L417 I419 I468 K474	L417-A471 HydrophobicContact CB-CB 3.73Å; L417-A471 HydrophobicContact CD2-CB 4.34Å; L417-A471 HydrophobicContact CG-CB 4.46Å; L417-A471 CarbonylContact O-C 3.52Å; L417-A471 VanDerWaalsContact O-CA 3.28Å; L417-A471 WeakPolarHBondContact O-CA 3.47Å; L417-A471 VanDerWaalsContact O-CB 3.24Å; L417-A471 WeakPolarHBondContact O-CB 3.31Å; I419-A471 HydrophobicContact CD1-CB 4.17Å; I419-A471 HydrophobicContact CG1-CB 3.89Å; I468-A471 WeakPolarHBondContact O-CB 3.39Å; I468-A471 PolarHBondContact O-N 3.32Å; A471-K474 HydrophobicContact CB-CB 3.89Å
472	Q	94.4	Very high	94.2	Very high	112 Å²	112	63.4 Å²	63.4	52%	0.523	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-34.2	175.1	-66.4	175.7	14.1	0	0	111.8	L417 G418	L417-Q472 PolarHBondContact O-N 3.3Å; G418-Q472 WeakPolarHBondContact O-CB 3.5Å; G418-Q472 WeakPolarHBondContact O-CG 3.1Å; G418-Q472 PolarHBondContact O-N 3.4Å; G418-Q472 VanDerWaalsContact O-N 3.16Å
473	F	92.9	Very high	94.3	Very high	40 Å²	40	62.2 Å²	62.2	18%	0.175	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	17.6	-178.1	-48.1	-43.4	0	0	0	113.3	P401 P403 L417 G418 D475 Q476	P401-F473 HydrophobicContact CB-CE2 4.48Å; P401-F473 HydrophobicContact CB-CZ 4.27Å; P401-F473 WeakPolarHBondContact O-CZ 3.25Å; P403-F473 HydrophobicContact CB-CD2 3.73Å; P403-F473 HydrophobicContact CB-CE2 3.66Å; P403-F473 HydrophobicContact CG-CD2 4.1Å; P403-F473 HydrophobicContact CG-CE2 3.69Å; P403-F473 HydrophobicContact CG-CZ 4.11Å; L417-F473 PolarHBondContact O-N 3.41Å; G418-F473 VanDerWaalsContact N-CD2 3.3Å; F473-D475 PolarHBondContact O-N 3.16Å; F473-D475 VanDerWaalsContact O-N 3.16Å; F473-Q476 WeakPolarHBondContact O-CB 3.37Å; F473-Q476 PolarHBondContact O-N 3.02Å
474	K	93.6	Very high	94.4	Very high	74 Å²	74	62.1 Å²	62.1	32%	0.322	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-51.4	-40.5	-176.8	74.6	-163.5	177.5	-163.9	0	112.8	I468 A471 Q476 H477 F478	I468-K474 HydrophobicContact CG2-CB 4.13Å; A471-K474 HydrophobicContact CB-CB 3.89Å; K474-Q476 PolarHBondContact O-N 3.15Å; K474-H477 CarbonylContact O-C 3.54Å; K474-H477 PolarHBondContact O-N 2.9Å; K474-F478 PolarHBondContact O-N 2.83Å
475	D	93.6	Very high	94.4	Very high	106 Å²	106	60.9 Å²	60.9	57%	0.567	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-74	-11.1	-170	-50.5	-62.9	0	0	0	112.5	F473 H477	F473-D475 PolarHBondContact O-N 3.16Å; F473-D475 VanDerWaalsContact O-N 3.16Å; D475-H477 VanDerWaalsContact C-N 3.3Å
476	Q	92.7	Very high	94.4	Very high	89 Å²	89	59.3 Å²	59.3	42%	0.416	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-76.3	-20.5	169.4	-55.1	-177	19.3	0	0	112.6	F473 K474 R487	F473-Q476 WeakPolarHBondContact O-CB 3.37Å; F473-Q476 PolarHBondContact O-N 3.02Å; K474-Q476 PolarHBondContact O-N 3.15Å; Q476-R487 PolarHBondContact O-NE 3.41Å; Q476-R487 VanDerWaalsContact O-NE 3.12Å
477	H	95	Very high	94.2	Very high	5 Å²	5	55 Å²	55	2%	0.023	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-18.2	-164.7	-64.1	-59.8	0	0	0	114.8	N450 L453 K474 D475 F484 L485	N450-H477 PolarHBondContact N-CE1 3.48Å; N450-H477 PolarHBondContact ND2-ND1 2.7Å; L453-H477 HydrophobicContact CD1-CB 3.84Å; L453-H477 VanDerWaalsContact CD1-CG 3.45Å; K474-H477 CarbonylContact O-C 3.54Å; K474-H477 PolarHBondContact O-N 2.9Å; D475-H477 VanDerWaalsContact C-N 3.3Å; H477-F484 HydrophobicContact CB-CE2 4.33Å; H477-F484 WeakPolarHBondContact O-CD2 3.37Å; H477-L485 PolarHBondContact O-N 2.96Å
478	F	96.3	Very high	93.7	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.026	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-139.3	151.5	-175.9	-61.4	-88.3	0	0	0	112	L417 I468 K474 N483 F484	L417-F478 HydrophobicContact CD2-CE2 3.8Å; I468-F478 HydrophobicContact CD1-CD1 3.79Å; I468-F478 HydrophobicContact CD1-CE1 3.52Å; I468-F478 HydrophobicContact CD1-CE2 4.45Å; I468-F478 HydrophobicContact CD1-CG 4.38Å; I468-F478 HydrophobicContact CD1-CZ 3.89Å; I468-F478 HydrophobicContact CG1-CE1 4.17Å; I468-F478 HydrophobicContact CG1-CE2 4.24Å; I468-F478 HydrophobicContact CG1-CZ 4.03Å; I468-F478 HydrophobicContact CG2-CB 4.19Å; I468-F478 HydrophobicContact CG2-CD1 4.28Å; I468-F478 HydrophobicContact CG2-CD2 3.63Å; I468-F478 HydrophobicContact CG2-CE2 4.05Å; I468-F478 HydrophobicContact CG2-CG 3.77Å; K474-F478 PolarHBondContact O-N 2.83Å; F478-N483 CarbonylContact C-O 3.59Å; F478-N483 WeakPolarHBondContact CA-O 3.17Å; F478-F484 HydrophobicContact CD1-CB 4.12Å; F478-F484 HydrophobicContact CD1-CD2 4.29Å; F478-F484 HydrophobicContact CE1-CB 3.91Å; F478-F484 AromaticContact CE1-CD2 3.85Å; F478-F484 HydrophobicContact CE1-CD2 3.85Å; F478-F484 HydrophobicContact CE1-CG 4.36Å; F478-F484 AromaticContact CZ-CD2 3.98Å; F478-F484 HydrophobicContact CZ-CD2 3.98Å
479	D	93.7	Very high	93	Very high	38 Å²	38	63.6 Å²	63.6	20%	0.203	32%	0.315	C	S	.	.			trans	-81.5	174.9	169.4	78.8	-3.3	0	0	0	112	N481 F482 N483 L485	D479-N481 PolarHBondContact O-N 3.41Å; D479-N481 VanDerWaalsContact O-N 3.09Å; D479-N481 VanDerWaalsContact OD1-C 3.29Å; D479-N481 VanDerWaalsContact OD1-CA 3.28Å; D479-N481 WeakPolarHBondContact OD1-CA 3.33Å; D479-N481 WeakPolarHBondContact OD1-CB 3.28Å; D479-N481 PolarHBondContact OD1-N 2.73Å; D479-N481 PolarHBondContact OD2-ND2 3.19Å; D479-F482 PolarHBondContact O-N 2.88Å; D479-F482 PolarHBondContact OD1-N 3.04Å; D479-N483 PolarHBondContact N-O 2.98Å; D479-N483 WeakPolarHBondContact OD1-CB 3.28Å; D479-N483 PolarHBondContact OD1-N 3.43Å; D479-N483 PolarHBondContact OD1-ND2 3.29Å; D479-N483 PolarHBondContact OD2-ND2 3.32Å; D479-L485 HydrophobicContact CB-CD2 4.24Å; D479-L485 HydrophobicContact CB-CG 4.5Å
480	G	92.4	Very high	92	Very high	72 Å²	72	58.9 Å²	58.9	74%	0.742	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.8	176.4	0	0	0	0	0	115.2
481	N	93.3	Very high	91.1	Very high	116 Å²	116	62.4 Å²	62.4	62%	0.62	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	2.1	174.5	-57.8	-61.1	0	0	0	112.5	D479 N483	D479-N481 PolarHBondContact O-N 3.41Å; D479-N481 VanDerWaalsContact O-N 3.09Å; D479-N481 VanDerWaalsContact OD1-C 3.29Å; D479-N481 VanDerWaalsContact OD1-CA 3.28Å; D479-N481 WeakPolarHBondContact OD1-CA 3.33Å; D479-N481 WeakPolarHBondContact OD1-CB 3.28Å; D479-N481 PolarHBondContact OD1-N 2.73Å; D479-N481 PolarHBondContact OD2-ND2 3.19Å; N481-N483 VanDerWaalsContact C-N 3.3Å
482	F	93.4	Very high	90.3	Very high	42 Å²	42	68.1 Å²	68.1	18%	0.184	35%	0.351	C	S	.	.			trans	62.7	30.6	-172.2	-43.1	-77.1	0	0	0	113.6	K462 N465 I468 R469 D479	K462-F482 WeakPolarHBondContact CE-O 3.22Å; K462-F482 PolarHBondContact NZ-O 3.46Å; N465-F482 HydrophobicContact CB-CB 4.42Å; N465-F482 HydrophobicContact CB-CD2 4.28Å; N465-F482 HydrophobicContact CB-CG 4.32Å; I468-F482 HydrophobicContact CB-CD1 4.04Å; I468-F482 HydrophobicContact CD1-CB 4.06Å; I468-F482 HydrophobicContact CG2-CD1 3.7Å; I468-F482 HydrophobicContact CG2-CE1 4.44Å; R469-F482 HydrophobicContact CG-CE1 3.64Å; R469-F482 HydrophobicContact CG-CE2 4.41Å; R469-F482 HydrophobicContact CG-CZ 3.55Å; D479-F482 PolarHBondContact O-N 2.88Å; D479-F482 PolarHBondContact OD1-N 3.04Å
483	N	95.6	Very high	89.5	Confident	29 Å²	29	66.3 Å²	66.3	16%	0.155	35%	0.348	C	S	.	.			trans	-80.7	143.8	163.4	-54.3	-45.1	0	0	0	109.2	F478 D479 N481 V500 S502	F478-N483 CarbonylContact C-O 3.59Å; F478-N483 WeakPolarHBondContact CA-O 3.17Å; D479-N483 PolarHBondContact N-O 2.98Å; D479-N483 WeakPolarHBondContact OD1-CB 3.28Å; D479-N483 PolarHBondContact OD1-N 3.43Å; D479-N483 PolarHBondContact OD1-ND2 3.29Å; D479-N483 PolarHBondContact OD2-ND2 3.32Å; N481-N483 VanDerWaalsContact C-N 3.3Å; N483-V500 HydrophobicContact CB-CG1 3.74Å; N483-S502 VanDerWaalsContact OD1-CA 3.24Å; N483-S502 WeakPolarHBondContact OD1-CA 3.15Å; N483-S502 VanDerWaalsContact OD1-CB 3.3Å; N483-S502 WeakPolarHBondContact OD1-CB 3.41Å
484	F	96.7	Very high	88.7	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.2	-178.1	177.5	-114.3	0	0	0	111	N450 L453 K454 M457 H477 F478 Y486 M501 I504	N450-F484 WeakPolarHBondContact O-CZ 3.46Å; N450-F484 WeakPolarHBondContact OD1-CZ 3.33Å; L453-F484 HydrophobicContact CB-CE2 4.02Å; L453-F484 HydrophobicContact CB-CZ 4.31Å; L453-F484 HydrophobicContact CD1-CE2 4.29Å; K454-F484 HydrophobicContact CB-CE1 3.89Å; K454-F484 HydrophobicContact CB-CZ 4.13Å; K454-F484 HydrophobicContact CD-CE1 4.09Å; K454-F484 HydrophobicContact CG-CE1 4.45Å; M457-F484 HydrophobicContact CE-CB 4.18Å; M457-F484 HydrophobicContact CE-CD1 3.77Å; M457-F484 HydrophobicContact CE-CD2 3.53Å; M457-F484 HydrophobicContact CE-CE1 3.96Å; M457-F484 HydrophobicContact CE-CE2 3.74Å; M457-F484 HydrophobicContact CE-CG 3.56Å; M457-F484 HydrophobicContact CE-CZ 3.95Å; H477-F484 HydrophobicContact CB-CE2 4.33Å; H477-F484 WeakPolarHBondContact O-CD2 3.37Å; F478-F484 HydrophobicContact CD1-CB 4.12Å; F478-F484 HydrophobicContact CD1-CD2 4.29Å; F478-F484 HydrophobicContact CE1-CB 3.91Å; F478-F484 AromaticContact CE1-CD2 3.85Å; F478-F484 HydrophobicContact CE1-CD2 3.85Å; F478-F484 HydrophobicContact CE1-CG 4.36Å; F478-F484 AromaticContact CZ-CD2 3.98Å; F478-F484 HydrophobicContact CZ-CD2 3.98Å; F484-Y486 VanDerWaalsContact CE1-CB 3.49Å; F484-Y486 AromaticContact CE1-CD2 3.79Å; F484-Y486 HydrophobicContact CE1-CD2 3.79Å; F484-Y486 AromaticContact CE1-CG 3.91Å; F484-Y486 HydrophobicContact CE1-CG 3.91Å; F484-Y486 HydrophobicContact CZ-CD2 4.3Å; F484-Y486 PolarHBondContact O-N 2.78Å; F484-M501 HydrophobicContact CB-CB 4.37Å; F484-M501 HydrophobicContact CD1-SD 4.39Å; F484-M501 PolarHBondContact N-O 3.2Å; F484-M501 PolarHBondContact O-N 3Å; F484-I504 HydrophobicContact CB-CD1 3.92Å; F484-I504 HydrophobicContact CD1-CD1 4.06Å; F484-I504 HydrophobicContact CG-CD1 4.24Å
485	L	95.5	Very high	88.1	Confident	29 Å²	29	77.2 Å²	77.2	15%	0.152	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	86.8	176.4	-63.2	178.1	0	0	0	108.5	N450 H477 D479 R487 L498 V500	N450-L485 PolarHBondContact ND2-O 3.32Å; N450-L485 PolarHBondContact OD1-O 3.06Å; H477-L485 PolarHBondContact O-N 2.96Å; D479-L485 HydrophobicContact CB-CD2 4.24Å; D479-L485 HydrophobicContact CB-CG 4.5Å; L485-R487 PolarHBondContact O-N 3.36Å; L485-L498 HydrophobicContact CB-CD2 4.24Å; L485-V500 HydrophobicContact CD2-CG1 4.46Å; L485-V500 HydrophobicContact CD2-CG2 3.85Å
486	Y	94.4	Very high	87.5	Confident	24 Å²	24	77.4 Å²	77.4	9%	0.094	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.9	179.3	-173.2	-146.5	0	0	0	109.9	Q451 K454 F484 E488 T499 M501	Q451-Y486 HydrophobicContact CB-CE2 4.47Å; Q451-Y486 HydrophobicContact CG-CE2 4.29Å; Q451-Y486 PolarHBondContact NE2-OH 3.4Å; K454-Y486 HydrophobicContact CB-CD2 3.91Å; K454-Y486 HydrophobicContact CB-CE2 3.82Å; K454-Y486 HydrophobicContact CD-CD1 4.39Å; K454-Y486 HydrophobicContact CD-CD2 4.38Å; K454-Y486 HydrophobicContact CD-CG 4.33Å; K454-Y486 HydrophobicContact CG-CD1 4.45Å; K454-Y486 HydrophobicContact CG-CD2 3.93Å; K454-Y486 HydrophobicContact CG-CE1 4.24Å; K454-Y486 HydrophobicContact CG-CE2 3.71Å; K454-Y486 HydrophobicContact CG-CG 4.34Å; F484-Y486 VanDerWaalsContact CE1-CB 3.49Å; F484-Y486 AromaticContact CE1-CD2 3.79Å; F484-Y486 HydrophobicContact CE1-CD2 3.79Å; F484-Y486 AromaticContact CE1-CG 3.91Å; F484-Y486 HydrophobicContact CE1-CG 3.91Å; F484-Y486 HydrophobicContact CZ-CD2 4.3Å; F484-Y486 PolarHBondContact O-N 2.78Å; Y486-E488 HydrophobicContact CD1-CG 3.6Å; Y486-E488 HydrophobicContact CD2-CG 4.46Å; Y486-E488 HydrophobicContact CE1-CG 3.3Å; Y486-E488 VanDerWaalsContact CE1-OE1 3.22Å; Y486-E488 WeakPolarHBondContact CE1-OE1 3.46Å; Y486-E488 HydrophobicContact CE2-CG 4.21Å; Y486-E488 HydrophobicContact CG-CG 4.16Å; Y486-T499 PolarHBondContact N-O 3.47Å; Y486-T499 PolarHBondContact O-N 2.85Å; Y486-M501 HydrophobicContact CD1-SD 4.32Å
487	R	90.2	Very high	87.2	Confident	84 Å²	84	78.4 Å²	78.4	32%	0.317	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.3	-178.6	-66.8	174.5	-179.7	-86.3	1.4	109.7	N450 Q476 L485 E496 L498	N450-R487 HydrophobicContact CB-CB 4.32Å; N450-R487 PolarHBondContact OD1-N 3.49Å; Q476-R487 PolarHBondContact O-NE 3.41Å; Q476-R487 VanDerWaalsContact O-NE 3.12Å; L485-R487 PolarHBondContact O-N 3.36Å; R487-E496 WeakPolarHBondContact CB-OE1 3.21Å; R487-E496 WeakPolarHBondContact CD-OE1 3.49Å; R487-E496 WeakPolarHBondContact CG-OE1 3.35Å; R487-E496 IonicContact CZ-OE1 3.81Å; R487-E496 IonicContact NE-OE1 3.67Å; R487-E496 IonicContact NH1-OE1 3.64Å; R487-E496 PolarHBondContact NH1-OE1 2.95Å; R487-E496 IonicContact NH1-OE2 2.87Å; R487-L498 HydrophobicContact CG-CD2 3.64Å
488	E	84.4	Confident	86.9	Confident	64 Å²	64	82.6 Å²	82.6	30%	0.299	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.4	178.6	-60.9	-173.7	103	0	0	110.5	Y486 E496 K497 T499	Y486-E488 HydrophobicContact CD1-CG 3.6Å; Y486-E488 HydrophobicContact CD2-CG 4.46Å; Y486-E488 HydrophobicContact CE1-CG 3.3Å; Y486-E488 VanDerWaalsContact CE1-OE1 3.22Å; Y486-E488 WeakPolarHBondContact CE1-OE1 3.46Å; Y486-E488 HydrophobicContact CE2-CG 4.21Å; Y486-E488 HydrophobicContact CG-CG 4.16Å; E488-E496 CarbonylContact O-C 3.57Å; E488-E496 WeakPolarHBondContact O-CA 3.41Å; E488-K497 PolarHBondContact N-O 3Å; E488-K497 PolarHBondContact O-N 3.11Å; E488-K497 IonicContact OE2-NZ 3.51Å; E488-T499 PolarHBondContact OE2-OG1 3.02Å
489	L	79.5	Confident	86.7	Confident	123 Å²	123	84.2 Å²	84.2	64%	0.644	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.7	160.8	-71.1	172.1	0	0	0	107.9	K491	L489-K491 PolarHBondContact O-N 3.22Å
490	D	75.6	Confident	86.7	Confident	54 Å²	54	86.5 Å²	86.5	29%	0.289	44%	0.44	S	S	.	.			trans	-62.2	128	171.3	172.5	20.3	0	0	0	109.8	V492 T493 H494 R495	D490-V492 PolarHBondContact O-N 3.4Å; D490-V492 PolarHBondContact OD1-N 3.21Å; D490-T493 VanDerWaalsContact OD2-CB 3.26Å; D490-T493 WeakPolarHBondContact OD2-CB 3.28Å; D490-T493 VanDerWaalsContact OD2-CG2 3.26Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.24Å; D490-T493 PolarHBondContact OD2-N 3.45Å; D490-T493 PolarHBondContact OD2-OG1 3.06Å; D490-H494 VanDerWaalsContact O-CA 3.27Å; D490-H494 WeakPolarHBondContact O-CA 3.43Å; D490-H494 PolarHBondContact O-N 3.33Å; D490-R495 PolarHBondContact N-O 3.24Å
491	K	74.8	Confident	86.7	Confident	199 Å²	199	85 Å²	85	87%	0.865	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.3	-178.6	-60.6	-177	-179.6	177.5	0	113.2	L489	L489-K491 PolarHBondContact O-N 3.22Å
492	V	77.2	Confident	86.7	Confident	125 Å²	125	83.2 Å²	83.2	76%	0.758	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-52.8	-177.7	-175.9	0	0	0	0	111.4	D490	D490-V492 PolarHBondContact O-N 3.4Å; D490-V492 PolarHBondContact OD1-N 3.21Å
493	T	78.9	Confident	86.5	Confident	74 Å²	74	86.7 Å²	86.7	45%	0.454	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.2	-176.1	65.7	0	0	0	0	114.6	D490 R495	D490-T493 VanDerWaalsContact OD2-CB 3.26Å; D490-T493 WeakPolarHBondContact OD2-CB 3.28Å; D490-T493 VanDerWaalsContact OD2-CG2 3.26Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.24Å; D490-T493 PolarHBondContact OD2-N 3.45Å; D490-T493 PolarHBondContact OD2-OG1 3.06Å; T493-R495 PolarHBondContact O-N 3.14Å; T493-R495 PolarHBondContact OG1-N 3.42Å
494	H	75.9	Confident	86.4	Confident	152 Å²	152	85.4 Å²	85.4	70%	0.704	43%	0.425	S	S	*	.			trans	55.4	14.6	-170.8	-64.9	-78.7	0	0	0	115	D490	D490-H494 VanDerWaalsContact O-CA 3.27Å; D490-H494 WeakPolarHBondContact O-CA 3.43Å; D490-H494 PolarHBondContact O-N 3.33Å
495	R	80.7	Confident	86.1	Confident	191 Å²	191	89.5 Å²	89.5	72%	0.721	45%	0.451	S	S	*	.			trans	-86.3	153.3	177.2	-64.2	179.3	179.8	-168.1	-1.9	111.2	D490 T493 K497	D490-R495 PolarHBondContact N-O 3.24Å; T493-R495 PolarHBondContact O-N 3.14Å; T493-R495 PolarHBondContact OG1-N 3.42Å; R495-K497 PolarHBondContact O-N 2.88Å
496	E	80.6	Confident	86.1	Confident	109 Å²	109	93.5 Å²	93.5	51%	0.509	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.1	170	-170.7	-179.4	-172	0	0	109.9	R487 E488	R487-E496 WeakPolarHBondContact CB-OE1 3.21Å; R487-E496 WeakPolarHBondContact CD-OE1 3.49Å; R487-E496 WeakPolarHBondContact CG-OE1 3.35Å; R487-E496 IonicContact CZ-OE1 3.81Å; R487-E496 IonicContact NE-OE1 3.67Å; R487-E496 IonicContact NH1-OE1 3.64Å; R487-E496 PolarHBondContact NH1-OE1 2.95Å; R487-E496 IonicContact NH1-OE2 2.87Å; E488-E496 CarbonylContact O-C 3.57Å; E488-E496 WeakPolarHBondContact O-CA 3.41Å
497	K	86.8	Confident	86.1	Confident	110 Å²	110	96.3 Å²	96.3	48%	0.478	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.5	172.7	179.7	-168.5	170	-154.5	0	108.7	E488 R495 T499	E488-K497 PolarHBondContact N-O 3Å; E488-K497 PolarHBondContact O-N 3.11Å; E488-K497 IonicContact OE2-NZ 3.51Å; R495-K497 PolarHBondContact O-N 2.88Å; K497-T499 WeakPolarHBondContact CE-OG1 3.48Å; K497-T499 PolarHBondContact NZ-OG1 3.08Å
498	L	88.9	Confident	86.3	Confident	94 Å²	94	94.7 Å²	94.7	49%	0.492	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.3	172.3	-79	161.7	0	0	0	110	L485 R487	L485-L498 HydrophobicContact CB-CD2 4.24Å; R487-L498 HydrophobicContact CG-CD2 3.64Å
499	T	92.2	Very high	86.7	Confident	39 Å²	39	95.1 Å²	95.1	24%	0.239	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.1	174.7	-58.9	0	0	0	0	109	Y486 E488 K497 M501	Y486-T499 PolarHBondContact N-O 3.47Å; Y486-T499 PolarHBondContact O-N 2.85Å; E488-T499 PolarHBondContact OE2-OG1 3.02Å; K497-T499 WeakPolarHBondContact CE-OG1 3.48Å; K497-T499 PolarHBondContact NZ-OG1 3.08Å; T499-M501 HydrophobicContact CG2-CG 4.23Å; T499-M501 PolarHBondContact O-N 3.26Å
500	V	93.8	Very high	87.4	Confident	87 Å²	87	89.6 Å²	89.6	53%	0.527	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.4	178.3	-173.4	0	0	0	0	110	N483 L485	N483-V500 HydrophobicContact CB-CG1 3.74Å; L485-V500 HydrophobicContact CD2-CG1 4.46Å; L485-V500 HydrophobicContact CD2-CG2 3.85Å
501	M	93.2	Very high	88.3	Confident	41 Å²	41	88.4 Å²	88.4	20%	0.202	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	101.3	-178.1	-57	-168.7	77.4	0	0	110.8	K454 F484 Y486 T499 I504	K454-M501 HydrophobicContact CD-SD 4.09Å; K454-M501 VanDerWaalsContact CE-SD 3.57Å; F484-M501 HydrophobicContact CB-CB 4.37Å; F484-M501 HydrophobicContact CD1-SD 4.39Å; F484-M501 PolarHBondContact N-O 3.2Å; F484-M501 PolarHBondContact O-N 3Å; Y486-M501 HydrophobicContact CD1-SD 4.32Å; T499-M501 HydrophobicContact CG2-CG 4.23Å; T499-M501 PolarHBondContact O-N 3.26Å; M501-I504 HydrophobicContact CB-CD1 4.28Å; M501-I504 HydrophobicContact CB-CG1 3.93Å; M501-I504 HydrophobicContact CE-CG1 4.08Å; M501-I504 HydrophobicContact SD-CG1 4.3Å
502	S	91.5	Very high	89.2	Confident	78 Å²	78	85.8 Å²	85.8	55%	0.545	45%	0.448	S	S	.	.	S	Bend	trans	-77.2	-35.6	177.7	58	0	0	0	0	112.9	K462 N483	K462-S502 VanDerWaalsContact CD-O 3.26Å; K462-S502 WeakPolarHBondContact CD-O 3.14Å; K462-S502 PolarHBondContact NZ-O 3.24Å; N483-S502 VanDerWaalsContact OD1-CA 3.24Å; N483-S502 WeakPolarHBondContact OD1-CA 3.15Å; N483-S502 VanDerWaalsContact OD1-CB 3.3Å; N483-S502 WeakPolarHBondContact OD1-CB 3.41Å
503	N	90.2	Very high	90	Very high	114 Å²	114	82 Å²	82	61%	0.61	42%	0.422	S	S	*	.			trans	-120.3	146.5	169.1	-171.5	16	0	0	0	109.7
504	I	92.6	Very high	90.7	Very high	3 Å²	3	78.6 Å²	78.6	2%	0.015	40%	0.401	C	S	.	.			trans	-133.1	103.4	173.4	-61.6	167.9	0	0	0	106.4	M457 K462 F484 M501	M457-I504 HydrophobicContact CB-CD1 4.1Å; M457-I504 HydrophobicContact CB-CG2 3.99Å; M457-I504 HydrophobicContact CE-CD1 3.63Å; M457-I504 HydrophobicContact CG-CD1 4.45Å; M457-I504 HydrophobicContact SD-CD1 3.46Å; M457-I504 WeakPolarHBondContact SD-CD1 3.42Å; K462-I504 HydrophobicContact CB-CB 4.39Å; F484-I504 HydrophobicContact CB-CD1 3.92Å; F484-I504 HydrophobicContact CD1-CD1 4.06Å; F484-I504 HydrophobicContact CG-CD1 4.24Å; M501-I504 HydrophobicContact CB-CD1 4.28Å; M501-I504 HydrophobicContact CB-CG1 3.93Å; M501-I504 HydrophobicContact CE-CG1 4.08Å; M501-I504 HydrophobicContact SD-CG1 4.3Å
505	P	92.3	Very high	91.5	Very high	86 Å²	86	73 Å²	73	56%	0.558	38%	0.378	S	S	*	.			trans	-70.2	148.6	174.8	30.6	-34	0	0	0	110.2	S507	P505-S507 PolarHBondContact O-N 3.41Å
506	I	94.3	Very high	91.7	Very high	112 Å²	112	66 Å²	66	57%	0.574	37%	0.365	S	S	*	.			trans	-64.2	124.2	168.6	-62.3	170.3	0	0	0	107.4	R508	I506-R508 WeakPolarHBondContact CG2-O 3.42Å
507	S	93.8	Very high	91.7	Very high	84 Å²	84	68 Å²	68	59%	0.587	38%	0.384	S	S	*	.			trans	-124.8	-5.7	-176.1	53.8	0	0	0	0	113.4	D458 P505	D458-S507 WeakPolarHBondContact CB-OG 3.17Å; D458-S507 PolarHBondContact O-N 3.34Å; D458-S507 PolarHBondContact OD1-OG 3.45Å; P505-S507 PolarHBondContact O-N 3.41Å
508	R	94.7	Very high	91.4	Very high	49 Å²	49	67.3 Å²	67.3	19%	0.185	38%	0.383	C	S	.	.			trans	-115.7	130.6	171.4	-65.5	177.4	62.8	-175	-0.4	110.1	M443 D458 L459 I506 E513	M443-R508 PolarHBondContact O-NH1 3.34Å; M443-R508 PolarHBondContact O-NH2 3.06Å; M443-R508 VanDerWaalsContact O-NH2 3.09Å; D458-R508 HydrophobicContact CB-CG 4.38Å; D458-R508 PolarHBondContact O-N 2.91Å; L459-R508 HydrophobicContact CD1-CB 3.99Å; I506-R508 WeakPolarHBondContact CG2-O 3.42Å; R508-E513 IonicContact CZ-OE1 3.07Å; R508-E513 IonicContact CZ-OE2 2.75Å; R508-E513 IonicContact NE-OE1 2.89Å; R508-E513 PolarHBondContact NE-OE1 3.21Å; R508-E513 IonicContact NE-OE2 2.7Å; R508-E513 VanDerWaalsContact NH2-CD 3.34Å; R508-E513 IonicContact NH2-OE1 2.71Å; R508-E513 PolarHBondContact NH2-OE1 2.93Å; R508-E513 IonicContact NH2-OE2 3.73Å; R508-E513 PolarHBondContact NH2-OE2 2.9Å
509	D	93.8	Very high	90.9	Very high	73 Å²	73	74.6 Å²	74.6	39%	0.39	40%	0.404	S	S	.	.			trans	-102.7	117.6	167.8	174.2	25.3	0	0	0	110.2	L511 Q512 E513	D509-L511 PolarHBondContact O-N 2.83Å; D509-L511 PolarHBondContact OD1-N 3.38Å; D509-Q512 HydrophobicContact CB-CB 4.03Å; D509-Q512 PolarHBondContact O-N 2.97Å; D509-Q512 WeakPolarHBondContact OD2-CB 3.21Å; D509-Q512 PolarHBondContact OD2-N 3.2Å; D509-E513 WeakPolarHBondContact O-CG 3.46Å; D509-E513 PolarHBondContact O-N 3.48Å
510	L	94.7	Very high	90.4	Very high	7 Å²	7	75.7 Å²	75.7	4%	0.037	41%	0.405	C	S	.	.	H	α-helix	trans	-60.4	-32.8	176.7	-169.6	57.8	0	0	0	112.3	Y435 M443 L459 L514 R532 L535 D536	Y435-L510 HydrophobicContact CD2-CD1 3.8Å; Y435-L510 HydrophobicContact CE2-CD1 3.87Å; M443-L510 HydrophobicContact CE-CD1 3.72Å; L459-L510 HydrophobicContact CD1-CB 4.16Å; L510-L514 HydrophobicContact CD1-CD1 4.28Å; L510-L514 HydrophobicContact CD1-CG 4.39Å; L510-L514 HydrophobicContact CG-CD1 3.94Å; L510-L514 HydrophobicContact CG-CG 4.48Å; L510-L514 WeakPolarHBondContact O-CB 3.23Å; L510-L514 WeakPolarHBondContact O-CD1 3.25Å; L510-L514 WeakPolarHBondContact O-CG 3.45Å; L510-L514 PolarHBondContact O-N 2.82Å; L510-L514 VanDerWaalsContact O-N 3.09Å; L510-R532 HydrophobicContact CB-CG 4.29Å; L510-R532 HydrophobicContact CD2-CG 4.23Å; L510-R532 HydrophobicContact CG-CG 4.12Å; L510-L535 HydrophobicContact CD2-CB 3.91Å; L510-D536 HydrophobicContact CD2-CB 4.32Å
511	L	94.6	Very high	90.1	Very high	30 Å²	30	76.2 Å²	76.2	16%	0.157	41%	0.405	C	S	.	.	H	α-helix	trans	-70.8	-46.6	179.3	-177	56.8	0	0	0	110.9	D509 E513 L514 V515 I528 L529 R532	D509-L511 PolarHBondContact O-N 2.83Å; D509-L511 PolarHBondContact OD1-N 3.38Å; L511-E513 VanDerWaalsContact C-N 3.31Å; L511-E513 PolarHBondContact O-N 3.14Å; L511-L514 PolarHBondContact O-N 3.33Å; L511-V515 HydrophobicContact CD1-CG2 4Å; L511-V515 HydrophobicContact CG-CG2 4.41Å; L511-V515 WeakPolarHBondContact O-CB 3.45Å; L511-V515 VanDerWaalsContact O-CG2 3.32Å; L511-V515 WeakPolarHBondContact O-CG2 3.49Å; L511-V515 PolarHBondContact O-N 3.4Å; L511-I528 HydrophobicContact CD1-CG2 4.4Å; L511-L529 HydrophobicContact CD1-CD2 3.81Å; L511-L529 HydrophobicContact CD2-CD2 4Å; L511-R532 HydrophobicContact CB-CG 4.13Å; L511-R532 HydrophobicContact CD1-CG 4.37Å
512	Q	93.5	Very high	89.9	Confident	144 Å²	144	80.3 Å²	80.3	67%	0.673	43%	0.433	S	S	*	.	H	α-helix	trans	-59.6	-40.1	174.1	-167.6	176.4	27.1	0	0	112.5	D509 G516	D509-Q512 HydrophobicContact CB-CB 4.03Å; D509-Q512 PolarHBondContact O-N 2.97Å; D509-Q512 WeakPolarHBondContact OD2-CB 3.21Å; D509-Q512 PolarHBondContact OD2-N 3.2Å; Q512-G516 PolarHBondContact O-N 3.04Å
513	E	94	Very high	89.7	Confident	44 Å²	44	80.2 Å²	80.2	21%	0.206	42%	0.424	C	S	.	.	H	α-helix	trans	-66.2	-35.5	177.3	-74.4	179.3	179.6	0	0	113.5	Y435 R508 D509 L511	Y435-E513 HydrophobicContact CE2-CB 4.27Å; Y435-E513 PolarHBondContact OH-OE2 2.89Å; R508-E513 IonicContact CZ-OE1 3.07Å; R508-E513 IonicContact CZ-OE2 2.75Å; R508-E513 IonicContact NE-OE1 2.89Å; R508-E513 PolarHBondContact NE-OE1 3.21Å; R508-E513 IonicContact NE-OE2 2.7Å; R508-E513 VanDerWaalsContact NH2-CD 3.34Å; R508-E513 IonicContact NH2-OE1 2.71Å; R508-E513 PolarHBondContact NH2-OE1 2.93Å; R508-E513 IonicContact NH2-OE2 3.73Å; R508-E513 PolarHBondContact NH2-OE2 2.9Å; D509-E513 WeakPolarHBondContact O-CG 3.46Å; D509-E513 PolarHBondContact O-N 3.48Å; L511-E513 VanDerWaalsContact C-N 3.31Å; L511-E513 PolarHBondContact O-N 3.14Å
514	L	93.8	Very high	89.6	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.016	40%	0.399	C	S	.	.	H	α-helix	trans	-78.3	-35.7	176.5	-66.4	167.3	0	0	0	112.4	Y435 Y438 T439 L510 L511 I528 L531 R532 L535	Y435-L514 HydrophobicContact CD2-CD2 4Å; Y435-L514 HydrophobicContact CE2-CD2 4.25Å; Y438-L514 HydrophobicContact CD1-CD2 3.48Å; Y438-L514 VanDerWaalsContact CD1-CD2 3.48Å; Y438-L514 HydrophobicContact CE1-CB 4.06Å; Y438-L514 HydrophobicContact CE1-CD2 3.9Å; Y438-L514 VanDerWaalsContact CE1-O 3.32Å; Y438-L514 WeakPolarHBondContact CE1-O 3.4Å; Y438-L514 PolarHBondContact OH-O 3.11Å; T439-L514 HydrophobicContact CG2-CD2 3.98Å; L510-L514 HydrophobicContact CD1-CD1 4.28Å; L510-L514 HydrophobicContact CD1-CG 4.39Å; L510-L514 HydrophobicContact CG-CD1 3.94Å; L510-L514 HydrophobicContact CG-CG 4.48Å; L510-L514 WeakPolarHBondContact O-CB 3.23Å; L510-L514 WeakPolarHBondContact O-CD1 3.25Å; L510-L514 WeakPolarHBondContact O-CG 3.45Å; L510-L514 PolarHBondContact O-N 2.82Å; L510-L514 VanDerWaalsContact O-N 3.09Å; L511-L514 PolarHBondContact O-N 3.33Å; L514-I528 HydrophobicContact CB-CG2 3.93Å; L514-L531 HydrophobicContact CD2-CD2 4.21Å; L514-R532 HydrophobicContact CD1-CB 3.59Å; L514-R532 HydrophobicContact CD1-CG 4.03Å; L514-L535 HydrophobicContact CD1-CD1 4.27Å; L514-L535 HydrophobicContact CD2-CD1 4.14Å
515	V	91.7	Very high	89.6	Confident	34 Å²	34	79.7 Å²	79.7	21%	0.206	42%	0.416	C	S	.	.	H	α-helix	trans	-72.9	-42.1	177.5	168.5	0	0	0	0	111.3	L511 V517 Q518 F520 Y525 I528	L511-V515 HydrophobicContact CD1-CG2 4Å; L511-V515 HydrophobicContact CG-CG2 4.41Å; L511-V515 WeakPolarHBondContact O-CB 3.45Å; L511-V515 VanDerWaalsContact O-CG2 3.32Å; L511-V515 WeakPolarHBondContact O-CG2 3.49Å; L511-V515 PolarHBondContact O-N 3.4Å; V515-V517 PolarHBondContact O-N 3.42Å; V515-Q518 PolarHBondContact O-N 3.07Å; V515-F520 HydrophobicContact CB-CE2 4.4Å; V515-F520 HydrophobicContact CG1-CE2 4.16Å; V515-F520 HydrophobicContact CG2-CE2 4.48Å; V515-Y525 HydrophobicContact CG2-CE2 3.87Å; V515-I528 HydrophobicContact CG2-CG2 4.32Å
516	G	86.1	Confident	89.6	Confident	44 Å²	44	79.6 Å²	79.6	45%	0.454	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-122.6	178.7	0	0	0	0	0	112.9	Q512	Q512-G516 PolarHBondContact O-N 3.04Å
517	V	80	Confident	89.6	Confident	151 Å²	151	74.4 Å²	74.4	92%	0.915	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	6.5	178.4	-160.5	0	0	0	0	111.3	V515	V515-V517 PolarHBondContact O-N 3.42Å
518	Q	79.8	Confident	89.6	Confident	97 Å²	97	70.5 Å²	70.5	45%	0.453	35%	0.351	S	S	.	.			trans	-78.3	146.1	-173.6	-64.3	-177.9	27.2	0	0	111.1	V515 F520	V515-Q518 PolarHBondContact O-N 3.07Å; Q518-F520 HydrophobicContact CB-CE1 3.77Å; Q518-F520 HydrophobicContact CB-CE2 3.7Å; Q518-F520 HydrophobicContact CB-CZ 3.26Å; Q518-F520 HydrophobicContact CG-CZ 4.14Å; Q518-F520 VanDerWaalsContact OE1-CE1 3.23Å; Q518-F520 VanDerWaalsContact OE1-CZ 3.32Å
519	R	79	Confident	89.7	Confident	246 Å²	246	71.6 Å²	71.6	93%	0.928	36%	0.36	S	S	*	.			trans	-97.3	134.7	169.1	-65.5	-176.2	-178.6	-177.4	0.8	108.6
520	F	82.2	Confident	89.8	Confident	62 Å²	62	69.2 Å²	69.2	27%	0.272	35%	0.347	S	S	.	.			trans	-122.4	149.6	-177.4	-58.1	-69.1	0	0	0	111.4	Y438 V515 Q518 Y525 I528	Y438-F520 WeakPolarHBondContact OH-CZ 3.34Å; V515-F520 HydrophobicContact CB-CE2 4.4Å; V515-F520 HydrophobicContact CG1-CE2 4.16Å; V515-F520 HydrophobicContact CG2-CE2 4.48Å; Q518-F520 HydrophobicContact CB-CE1 3.77Å; Q518-F520 HydrophobicContact CB-CE2 3.7Å; Q518-F520 HydrophobicContact CB-CZ 3.26Å; Q518-F520 HydrophobicContact CG-CZ 4.14Å; Q518-F520 VanDerWaalsContact OE1-CE1 3.23Å; Q518-F520 VanDerWaalsContact OE1-CZ 3.32Å; F520-Y525 HydrophobicContact CD2-CD2 4.26Å; F520-I528 HydrophobicContact CD1-CD1 3.52Å; F520-I528 HydrophobicContact CD2-CD1 3.81Å; F520-I528 HydrophobicContact CE1-CD1 3.26Å; F520-I528 HydrophobicContact CE2-CD1 3.55Å; F520-I528 HydrophobicContact CG-CD1 3.77Å; F520-I528 HydrophobicContact CZ-CD1 3.24Å
521	D	86.1	Confident	89.9	Confident	98 Å²	98	68.9 Å²	68.9	52%	0.524	35%	0.345	S	S	.	.			trans	-74.4	171.7	158.9	70.9	-51.2	0	0	0	110.6	E523 G524 Y525	D521-E523 VanDerWaalsContact C-N 3.3Å; D521-E523 PolarHBondContact O-N 2.82Å; D521-E523 VanDerWaalsContact OD2-CB 3.25Å; D521-E523 WeakPolarHBondContact OD2-CB 3.36Å; D521-E523 PolarHBondContact OD2-N 3.43Å; D521-E523 VanDerWaalsContact OD2-N 3.15Å; D521-G524 PolarHBondContact O-N 3.23Å; D521-G524 VanDerWaalsContact OD1-CA 3.3Å; D521-G524 WeakPolarHBondContact OD1-CA 3.38Å; D521-G524 PolarHBondContact OD1-N 3Å; D521-G524 PolarHBondContact OD2-N 3.22Å; D521-Y525 WeakPolarHBondContact O-CB 3.28Å; D521-Y525 PolarHBondContact O-N 2.92Å
522	T	88.7	Confident	90	Very high	128 Å²	128	71.5 Å²	71.5	79%	0.785	35%	0.353	S	S	*	.	H	α-helix	trans	-65	-31.6	-178.8	-46	0	0	0	0	112.7	R526	T522-R526 VanDerWaalsContact O-CB 3.31Å; T522-R526 WeakPolarHBondContact O-CB 3.36Å; T522-R526 PolarHBondContact O-N 3.23Å; T522-R526 VanDerWaalsContact O-N 3.11Å
523	E	88.1	Confident	90.2	Very high	75 Å²	75	67.1 Å²	67.1	35%	0.35	33%	0.334	S	S	.	.	H	α-helix	trans	-74.1	-47	176.8	-168.9	-167.5	115.3	0	0	111.2	K345 D521 Y525 R526 K527	K345-E523 WeakPolarHBondContact CE-OE1 3.46Å; K345-E523 IonicContact NZ-OE1 2.75Å; K345-E523 PolarHBondContact NZ-OE1 2.9Å; D521-E523 VanDerWaalsContact C-N 3.3Å; D521-E523 PolarHBondContact O-N 2.82Å; D521-E523 VanDerWaalsContact OD2-CB 3.25Å; D521-E523 WeakPolarHBondContact OD2-CB 3.36Å; D521-E523 PolarHBondContact OD2-N 3.43Å; D521-E523 VanDerWaalsContact OD2-N 3.15Å; E523-Y525 PolarHBondContact O-N 3.18Å; E523-R526 WeakPolarHBondContact O-CB 3.49Å; E523-R526 PolarHBondContact O-N 3.28Å; E523-K527 WeakPolarHBondContact O-CG 3.31Å; E523-K527 PolarHBondContact O-N 3.08Å
524	G	88.4	Confident	90.3	Very high	9 Å²	9	65.2 Å²	65.2	9%	0.093	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-47.2	175.1	0	0	0	0	0	112.3	D521 R526 K527 I528	D521-G524 PolarHBondContact O-N 3.23Å; D521-G524 VanDerWaalsContact OD1-CA 3.3Å; D521-G524 WeakPolarHBondContact OD1-CA 3.38Å; D521-G524 PolarHBondContact OD1-N 3Å; D521-G524 PolarHBondContact OD2-N 3.22Å; G524-R526 PolarHBondContact O-N 2.71Å; G524-K527 PolarHBondContact O-N 3.42Å; G524-K527 VanDerWaalsContact O-N 3.16Å; G524-I528 WeakPolarHBondContact O-CD1 3.31Å; G524-I528 WeakPolarHBondContact O-CG1 3.5Å; G524-I528 PolarHBondContact O-N 3.47Å
525	Y	91.9	Very high	90.5	Very high	97 Å²	97	65.1 Å²	65.1	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-41.2	177	-167.4	-105	0	0	0	112.3	V515 F520 D521 E523 K527 I528 L529	V515-Y525 HydrophobicContact CG2-CE2 3.87Å; F520-Y525 HydrophobicContact CD2-CD2 4.26Å; D521-Y525 WeakPolarHBondContact O-CB 3.28Å; D521-Y525 PolarHBondContact O-N 2.92Å; E523-Y525 PolarHBondContact O-N 3.18Å; Y525-K527 VanDerWaalsContact C-N 3.34Å; Y525-K527 PolarHBondContact O-N 3.29Å; Y525-I528 PolarHBondContact O-N 3.16Å; Y525-I528 VanDerWaalsContact O-N 3.16Å; Y525-L529 HydrophobicContact CD1-CD1 3.96Å; Y525-L529 HydrophobicContact CD1-CG 4.27Å; Y525-L529 HydrophobicContact CE1-CD1 3.74Å; Y525-L529 HydrophobicContact CE1-CD2 4.2Å; Y525-L529 HydrophobicContact CE1-CG 4Å; Y525-L529 WeakPolarHBondContact O-CG 3.46Å; Y525-L529 PolarHBondContact O-N 2.89Å
526	R	93.8	Very high	90.8	Very high	84 Å²	84	66.6 Å²	66.6	32%	0.317	33%	0.331	S	S	.	.	H	α-helix	trans	-56.6	-45.2	171.9	176.8	-174.4	71.5	97.7	-10.7	111.7	T522 E523 G524 I528 L529 Q530 E560 T561	T522-R526 VanDerWaalsContact O-CB 3.31Å; T522-R526 WeakPolarHBondContact O-CB 3.36Å; T522-R526 PolarHBondContact O-N 3.23Å; T522-R526 VanDerWaalsContact O-N 3.11Å; E523-R526 WeakPolarHBondContact O-CB 3.49Å; E523-R526 PolarHBondContact O-N 3.28Å; G524-R526 PolarHBondContact O-N 2.71Å; R526-I528 VanDerWaalsContact C-N 3.31Å; R526-I528 PolarHBondContact O-N 2.7Å; R526-L529 PolarHBondContact O-N 3.14Å; R526-Q530 WeakPolarHBondContact O-CG 3.23Å; R526-Q530 PolarHBondContact O-N 3.26Å; R526-Q530 VanDerWaalsContact O-N 3.09Å; R526-E560 IonicContact NH1-OE2 3.64Å; R526-E560 PolarHBondContact NH1-OE2 3.01Å; R526-T561 PolarHBondContact NH2-O 3.04Å
527	K	93.4	Very high	91.3	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-33.8	177.1	-67.9	-58.7	-179.5	-169.1	0	113	V344 E523 G524 Y525 Q530 L531 E560 T561	V344-K527 HydrophobicContact CG1-CB 4.23Å; V344-K527 HydrophobicContact CG2-CB 3.83Å; E523-K527 WeakPolarHBondContact O-CG 3.31Å; E523-K527 PolarHBondContact O-N 3.08Å; G524-K527 PolarHBondContact O-N 3.42Å; G524-K527 VanDerWaalsContact O-N 3.16Å; Y525-K527 VanDerWaalsContact C-N 3.34Å; Y525-K527 PolarHBondContact O-N 3.29Å; K527-Q530 PolarHBondContact O-N 3.33Å; K527-L531 WeakPolarHBondContact O-CB 3.4Å; K527-L531 PolarHBondContact O-N 3.09Å; K527-E560 VanDerWaalsContact NZ-C 3.27Å; K527-E560 PolarHBondContact NZ-O 2.83Å; K527-T561 WeakPolarHBondContact CE-O 3.26Å; K527-T561 WeakPolarHBondContact CE-OXT 3.26Å; K527-T561 PolarHBondContact NZ-O 3.06Å; K527-T561 PolarHBondContact NZ-OXT 3.47Å
528	I	94.2	Very high	92.1	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-71.3	-40.2	177.3	-67.1	158.8	0	0	0	111.4	Y438 L511 L514 V515 F520 G524 Y525 R526 Q530 L531 R532	Y438-I528 WeakPolarHBondContact OH-CD1 3.28Å; Y438-I528 WeakPolarHBondContact OH-CG1 3.49Å; L511-I528 HydrophobicContact CD1-CG2 4.4Å; L514-I528 HydrophobicContact CB-CG2 3.93Å; V515-I528 HydrophobicContact CG2-CG2 4.32Å; F520-I528 HydrophobicContact CD1-CD1 3.52Å; F520-I528 HydrophobicContact CD2-CD1 3.81Å; F520-I528 HydrophobicContact CE1-CD1 3.26Å; F520-I528 HydrophobicContact CE2-CD1 3.55Å; F520-I528 HydrophobicContact CG-CD1 3.77Å; F520-I528 HydrophobicContact CZ-CD1 3.24Å; G524-I528 WeakPolarHBondContact O-CD1 3.31Å; G524-I528 WeakPolarHBondContact O-CG1 3.5Å; G524-I528 PolarHBondContact O-N 3.47Å; Y525-I528 PolarHBondContact O-N 3.16Å; Y525-I528 VanDerWaalsContact O-N 3.16Å; R526-I528 VanDerWaalsContact C-N 3.31Å; R526-I528 PolarHBondContact O-N 2.7Å; I528-Q530 VanDerWaalsContact C-N 3.29Å; I528-Q530 PolarHBondContact O-N 3.26Å; I528-L531 PolarHBondContact O-N 3.03Å; I528-R532 VanDerWaalsContact O-CB 3.29Å; I528-R532 WeakPolarHBondContact O-CB 3.42Å; I528-R532 PolarHBondContact O-N 3.43Å
529	L	95.7	Very high	92.9	Very high	72 Å²	72	56.7 Å²	56.7	38%	0.377	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-41.8	171	-68	173.7	0	0	0	111.5	L511 Y525 R526 R532 D533	L511-L529 HydrophobicContact CD1-CD2 3.81Å; L511-L529 HydrophobicContact CD2-CD2 4Å; Y525-L529 HydrophobicContact CD1-CD1 3.96Å; Y525-L529 HydrophobicContact CD1-CG 4.27Å; Y525-L529 HydrophobicContact CE1-CD1 3.74Å; Y525-L529 HydrophobicContact CE1-CD2 4.2Å; Y525-L529 HydrophobicContact CE1-CG 4Å; Y525-L529 WeakPolarHBondContact O-CG 3.46Å; Y525-L529 PolarHBondContact O-N 2.89Å; R526-L529 PolarHBondContact O-N 3.14Å; L529-R532 PolarHBondContact O-N 2.63Å; L529-D533 WeakPolarHBondContact O-CB 3.33Å; L529-D533 PolarHBondContact O-N 3.1Å
530	Q	96.5	Very high	93.7	Very high	24 Å²	24	46 Å²	46	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-38.9	176.8	-69	175.9	-15.5	0	0	112.6	R526 K527 I528 F534 F557 E560	R526-Q530 WeakPolarHBondContact O-CG 3.23Å; R526-Q530 PolarHBondContact O-N 3.26Å; R526-Q530 VanDerWaalsContact O-N 3.09Å; K527-Q530 PolarHBondContact O-N 3.33Å; I528-Q530 VanDerWaalsContact C-N 3.29Å; I528-Q530 PolarHBondContact O-N 3.26Å; Q530-F534 WeakPolarHBondContact O-CB 3.37Å; Q530-F534 PolarHBondContact O-N 2.9Å; Q530-F557 HydrophobicContact CB-CB 3.84Å; Q530-F557 HydrophobicContact CB-CD2 4.16Å; Q530-F557 HydrophobicContact CB-CG 4.48Å; Q530-E560 VanDerWaalsContact NE2-CD 3.34Å; Q530-E560 PolarHBondContact NE2-OE1 3.02Å; Q530-E560 PolarHBondContact NE2-OE2 2.99Å
531	L	96.6	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-44.9	173	176.1	58.8	0	0	0	111.3	Y438 L514 K527 I528 D533 F534 L535 F557	Y438-L531 HydrophobicContact CD1-CD2 3.74Å; Y438-L531 HydrophobicContact CD2-CD2 4.22Å; Y438-L531 HydrophobicContact CE1-CD2 4.32Å; Y438-L531 HydrophobicContact CG-CD2 3.67Å; L514-L531 HydrophobicContact CD2-CD2 4.21Å; K527-L531 WeakPolarHBondContact O-CB 3.4Å; K527-L531 PolarHBondContact O-N 3.09Å; I528-L531 PolarHBondContact O-N 3.03Å; L531-D533 VanDerWaalsContact C-N 3.33Å; L531-D533 PolarHBondContact O-N 3.32Å; L531-F534 PolarHBondContact O-N 3.13Å; L531-L535 HydrophobicContact CD1-CD1 3.84Å; L531-L535 HydrophobicContact CD1-CD2 4.48Å; L531-L535 HydrophobicContact CD1-CG 3.87Å; L531-L535 HydrophobicContact CG-CD1 3.9Å; L531-L535 HydrophobicContact CG-CG 4.34Å; L531-L535 WeakPolarHBondContact O-CB 3.44Å; L531-L535 VanDerWaalsContact O-CG 3.27Å; L531-L535 WeakPolarHBondContact O-CG 3.48Å; L531-L535 PolarHBondContact O-N 3.11Å; L531-F557 HydrophobicContact CB-CD2 3.85Å; L531-F557 HydrophobicContact CB-CE2 3.71Å; L531-F557 HydrophobicContact CB-CG 4.37Å; L531-F557 HydrophobicContact CB-CZ 4.09Å; L531-F557 HydrophobicContact CD1-CD1 4.22Å; L531-F557 HydrophobicContact CD1-CE1 3.73Å; L531-F557 HydrophobicContact CD1-CE2 4.31Å; L531-F557 HydrophobicContact CD1-CZ 3.79Å; L531-F557 HydrophobicContact CD2-CZ 4.48Å; L531-F557 HydrophobicContact CG-CE2 4.43Å; L531-F557 HydrophobicContact CG-CZ 4.33Å
532	R	96.7	Very high	94.8	Very high	85 Å²	85	40.3 Å²	40.3	32%	0.321	20%	0.197	S	C	.	.	H	α-helix	trans	-57.8	-45.9	176.4	-175.2	-76.7	-131.2	166.8	7.1	111.2	L510 L511 L514 I528 L529 D536	L510-R532 HydrophobicContact CB-CG 4.29Å; L510-R532 HydrophobicContact CD2-CG 4.23Å; L510-R532 HydrophobicContact CG-CG 4.12Å; L511-R532 HydrophobicContact CB-CG 4.13Å; L511-R532 HydrophobicContact CD1-CG 4.37Å; L514-R532 HydrophobicContact CD1-CB 3.59Å; L514-R532 HydrophobicContact CD1-CG 4.03Å; I528-R532 VanDerWaalsContact O-CB 3.29Å; I528-R532 WeakPolarHBondContact O-CB 3.42Å; I528-R532 PolarHBondContact O-N 3.43Å; L529-R532 PolarHBondContact O-N 2.63Å; R532-D536 WeakPolarHBondContact O-CB 3.4Å; R532-D536 PolarHBondContact O-N 3.34Å
533	D	97	Very high	95	Very high	51 Å²	51	35 Å²	35	27%	0.273	17%	0.165	S	C	.	.	H	α-helix	trans	-66.6	-41.8	178.3	177.8	54.3	0	0	0	112.4	L529 L531 D536 K537 H555	L529-D533 WeakPolarHBondContact O-CB 3.33Å; L529-D533 PolarHBondContact O-N 3.1Å; L531-D533 VanDerWaalsContact C-N 3.33Å; L531-D533 PolarHBondContact O-N 3.32Å; D533-D536 PolarHBondContact O-N 3.2Å; D533-K537 WeakPolarHBondContact O-CD 3.47Å; D533-K537 WeakPolarHBondContact O-CG 3.42Å; D533-K537 PolarHBondContact O-N 3.5Å; D533-K537 VanDerWaalsContact O-N 3.13Å; D533-K537 WeakPolarHBondContact OD1-CE 3.3Å; D533-K537 IonicContact OD1-NZ 2.89Å; D533-K537 PolarHBondContact OD1-NZ 3.3Å; D533-K537 IonicContact OD2-NZ 2.66Å; D533-K537 PolarHBondContact OD2-NZ 2.92Å; D533-H555 IonicContact OD2-CE1 3.32Å; D533-H555 PolarHBondContact OD2-CE1 3.09Å; D533-H555 IonicContact OD2-NE2 3.89Å; D533-H555 PolarHBondContact OD2-NE2 3.19Å
534	F	97.5	Very high	95.3	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.022	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-52.9	172.7	177.2	-98.9	0	0	0	111.8	T351 L355 Q530 L531 D536 K537 V538 C552 H555 F557 V558	T351-F534 HydrophobicContact CG2-CE1 3.79Å; T351-F534 HydrophobicContact CG2-CE2 4.43Å; T351-F534 HydrophobicContact CG2-CZ 3.74Å; L355-F534 HydrophobicContact CD1-CE2 4.16Å; L355-F534 HydrophobicContact CD1-CZ 4.04Å; L355-F534 HydrophobicContact CD2-CZ 4.35Å; Q530-F534 WeakPolarHBondContact O-CB 3.37Å; Q530-F534 PolarHBondContact O-N 2.9Å; L531-F534 PolarHBondContact O-N 3.13Å; F534-D536 VanDerWaalsContact C-N 3.33Å; F534-D536 PolarHBondContact O-N 3.05Å; F534-K537 PolarHBondContact O-N 3.18Å; F534-V538 HydrophobicContact CD2-CG2 4.44Å; F534-V538 HydrophobicContact CE1-CG2 4.39Å; F534-V538 HydrophobicContact CE2-CG2 4.14Å; F534-V538 HydrophobicContact CZ-CG2 4.1Å; F534-V538 WeakPolarHBondContact O-CG2 3.47Å; F534-V538 PolarHBondContact O-N 3.46Å; F534-C552 HydrophobicContact CE2-CB 3.99Å; F534-H555 HydrophobicContact CD2-CB 4.01Å; F534-H555 AromaticContact CD2-CG 3.81Å; F534-H555 AromaticContact CD2-ND1 3.86Å; F534-H555 PolarHBondContact N-CE1 3.5Å; F534-F557 HydrophobicContact CB-CB 4.36Å; F534-V558 HydrophobicContact CE2-CG2 4.47Å
535	L	97.7	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-41.2	179.3	-71.8	175.9	0	0	0	111.3	A431 M434 Y435 L510 L514 L531 V538 T539	A431-L535 HydrophobicContact CB-CD2 3.92Å; A431-L535 WeakPolarHBondContact O-CD2 3.41Å; M434-L535 HydrophobicContact CB-CD2 4.3Å; Y435-L535 HydrophobicContact CD2-CD1 4.29Å; L510-L535 HydrophobicContact CD2-CB 3.91Å; L514-L535 HydrophobicContact CD1-CD1 4.27Å; L514-L535 HydrophobicContact CD2-CD1 4.14Å; L531-L535 HydrophobicContact CD1-CD1 3.84Å; L531-L535 HydrophobicContact CD1-CD2 4.48Å; L531-L535 HydrophobicContact CD1-CG 3.87Å; L531-L535 HydrophobicContact CG-CD1 3.9Å; L531-L535 HydrophobicContact CG-CG 4.34Å; L531-L535 WeakPolarHBondContact O-CB 3.44Å; L531-L535 VanDerWaalsContact O-CG 3.27Å; L531-L535 WeakPolarHBondContact O-CG 3.48Å; L531-L535 PolarHBondContact O-N 3.11Å; L535-V538 PolarHBondContact O-N 2.87Å; L535-T539 VanDerWaalsContact O-CB 3.31Å; L535-T539 WeakPolarHBondContact O-CB 3.46Å; L535-T539 WeakPolarHBondContact O-CG2 3.4Å; L535-T539 PolarHBondContact O-N 3.09Å; L535-T539 PolarHBondContact O-OG1 2.8Å
536	D	96.8	Very high	95.8	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.353	19%	0.188	S	C	.	.	H	α-helix	trans	-62.9	-47.5	-179.1	-173.2	48.2	0	0	0	112.1	K460 L510 R532 D533 F534	K460-D536 PolarHBondContact NZ-O 2.96Å; K460-D536 IonicContact NZ-OD1 2.67Å; K460-D536 PolarHBondContact NZ-OD1 3.41Å; L510-D536 HydrophobicContact CD2-CB 4.32Å; R532-D536 WeakPolarHBondContact O-CB 3.4Å; R532-D536 PolarHBondContact O-N 3.34Å; D533-D536 PolarHBondContact O-N 3.2Å; F534-D536 VanDerWaalsContact C-N 3.33Å; F534-D536 PolarHBondContact O-N 3.05Å
537	K	96.7	Very high	96	Very high	83 Å²	83	35.9 Å²	35.9	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-62.5	-46.4	176.8	-71.1	164.9	177.5	162	0	112.4	D533 F534 S540 P547 H555	D533-K537 WeakPolarHBondContact O-CD 3.47Å; D533-K537 WeakPolarHBondContact O-CG 3.42Å; D533-K537 PolarHBondContact O-N 3.5Å; D533-K537 VanDerWaalsContact O-N 3.13Å; D533-K537 WeakPolarHBondContact OD1-CE 3.3Å; D533-K537 IonicContact OD1-NZ 2.89Å; D533-K537 PolarHBondContact OD1-NZ 3.3Å; D533-K537 IonicContact OD2-NZ 2.66Å; D533-K537 PolarHBondContact OD2-NZ 2.92Å; F534-K537 PolarHBondContact O-N 3.18Å; K537-S540 WeakPolarHBondContact O-CB 3.35Å; K537-S540 PolarHBondContact O-N 3.19Å; K537-P547 HydrophobicContact CB-CG 4.02Å; K537-P547 WeakPolarHBondContact O-CD 3.17Å; K537-H555 PolarHBondContact NZ-NE2 3.23Å; K537-H555 VanDerWaalsContact NZ-NE2 3.17Å
538	V	97.1	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.7	-35.7	-177.6	178	0	0	0	0	112	L427 A431 F534 L535 S540 R546 P547	L427-V538 HydrophobicContact CD1-CG1 4.37Å; L427-V538 HydrophobicContact CD2-CG1 4.47Å; L427-V538 HydrophobicContact CG-CG1 3.79Å; L427-V538 VanDerWaalsContact O-CG1 3.28Å; L427-V538 WeakPolarHBondContact O-CG1 3.37Å; A431-V538 HydrophobicContact CB-CB 3.89Å; A431-V538 HydrophobicContact CB-CG1 3.47Å; A431-V538 VanDerWaalsContact CB-CG1 3.47Å; F534-V538 HydrophobicContact CD2-CG2 4.44Å; F534-V538 HydrophobicContact CE1-CG2 4.39Å; F534-V538 HydrophobicContact CE2-CG2 4.14Å; F534-V538 HydrophobicContact CZ-CG2 4.1Å; F534-V538 WeakPolarHBondContact O-CG2 3.47Å; F534-V538 PolarHBondContact O-N 3.46Å; L535-V538 PolarHBondContact O-N 2.87Å; V538-S540 PolarHBondContact O-N 2.88Å; V538-S540 VanDerWaalsContact O-N 3.08Å; V538-R546 WeakPolarHBondContact O-CD 3.09Å; V538-R546 WeakPolarHBondContact O-CG 3.26Å; V538-R546 PolarHBondContact O-NE 2.74Å; V538-P547 HydrophobicContact CG2-CG 3.86Å
539	T	97	Very high	96.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	28.8	175	60.3	0	0	0	0	113.3	W428 A431 M443 K460 L535 I541	W428-T539 VanDerWaalsContact CZ3-C 3.45Å; W428-T539 VanDerWaalsContact CZ3-O 3.28Å; W428-T539 WeakPolarHBondContact CZ3-O 3.4Å; A431-T539 HydrophobicContact CB-CG2 4.07Å; M443-T539 HydrophobicContact CE-CG2 4.28Å; M443-T539 HydrophobicContact SD-CG2 4.31Å; K460-T539 WeakPolarHBondContact CE-O 3.25Å; K460-T539 VanDerWaalsContact CE-OG1 3.22Å; K460-T539 WeakPolarHBondContact CE-OG1 3.48Å; K460-T539 PolarHBondContact NZ-O 3.13Å; K460-T539 PolarHBondContact NZ-OG1 2.96Å; L535-T539 VanDerWaalsContact O-CB 3.31Å; L535-T539 WeakPolarHBondContact O-CB 3.46Å; L535-T539 WeakPolarHBondContact O-CG2 3.4Å; L535-T539 PolarHBondContact O-N 3.09Å; L535-T539 PolarHBondContact O-OG1 2.8Å; T539-I541 PolarHBondContact O-N 3.33Å
540	S	96.6	Very high	96.1	Very high	23 Å²	23	39 Å²	39	16%	0.161	20%	0.201	C	C	.	.			trans	-65.4	129.4	170.1	-177.1	0	0	0	0	110.9	K537 V538 D542 R546	K537-S540 WeakPolarHBondContact O-CB 3.35Å; K537-S540 PolarHBondContact O-N 3.19Å; V538-S540 PolarHBondContact O-N 2.88Å; V538-S540 VanDerWaalsContact O-N 3.08Å; S540-D542 VanDerWaalsContact C-N 3.26Å; S540-D542 PolarHBondContact O-N 2.81Å; S540-D542 PolarHBondContact OG-O 2.8Å; S540-R546 PolarHBondContact O-NE 2.85Å; S540-R546 PolarHBondContact O-NH2 3.21Å; S540-R546 VanDerWaalsContact O-NH2 3.09Å
541	I	95.6	Very high	96.1	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.062	22%	0.221	C	C	.	.	S	Bend	trans	-62.2	-34.8	-179.2	-56.3	-56.9	0	0	0	112	P413 W428 M456 K460 M463 L467 T539 P543	P413-I541 HydrophobicContact CB-CG2 4.35Å; P413-I541 HydrophobicContact CG-CD1 4.47Å; P413-I541 HydrophobicContact CG-CG2 4.25Å; W428-I541 HydrophobicContact CH2-CD1 3.99Å; W428-I541 HydrophobicContact CZ3-CD1 4.29Å; M456-I541 HydrophobicContact CB-CD1 3.85Å; K460-I541 HydrophobicContact CB-CD1 3.97Å; K460-I541 HydrophobicContact CB-CG1 3.61Å; K460-I541 HydrophobicContact CG-CD1 3.82Å; K460-I541 HydrophobicContact CG-CG1 3.85Å; M463-I541 HydrophobicContact CB-CG2 4.35Å; M463-I541 HydrophobicContact CE-CD1 4.33Å; M463-I541 HydrophobicContact CE-CG2 3.74Å; M463-I541 HydrophobicContact CG-CG2 3.8Å; M463-I541 HydrophobicContact SD-CG2 3.56Å; M463-I541 VanDerWaalsContact SD-CG2 3.56Å; L467-I541 HydrophobicContact CD2-CG2 3.82Å; T539-I541 PolarHBondContact O-N 3.33Å; I541-P543 WeakPolarHBondContact O-CD 3.47Å
542	D	94.3	Very high	96.1	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	-89.2	110.6	175	-172.8	-21	0	0	0	108.3	S540 T544 K545	S540-D542 VanDerWaalsContact C-N 3.26Å; S540-D542 PolarHBondContact O-N 2.81Å; S540-D542 PolarHBondContact OG-O 2.8Å; D542-T544 PolarHBondContact O-N 3.48Å; D542-T544 VanDerWaalsContact O-N 3.14Å; D542-T544 WeakPolarHBondContact OD1-CB 2.93Å; D542-T544 PolarHBondContact OD1-N 3Å; D542-T544 VanDerWaalsContact OD1-N 3.13Å; D542-T544 PolarHBondContact OD1-OG1 2.95Å; D542-K545 HydrophobicContact CB-CB 4.46Å; D542-K545 HydrophobicContact CB-CD 4.04Å; D542-K545 HydrophobicContact CB-CG 4.04Å; D542-K545 PolarHBondContact O-N 2.8Å
543	P	94.2	Very high	96	Very high	17 Å²	17	39.9 Å²	39.9	11%	0.11	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.4	-26.5	-177	24	-33.4	0	0	0	112.2	E414 N424 I541 K545 R546	E414-P543 HydrophobicContact CB-CG 4.46Å; N424-P543 HydrophobicContact CB-CB 4.18Å; I541-P543 WeakPolarHBondContact O-CD 3.47Å; P543-K545 PolarHBondContact O-N 2.94Å; P543-K545 VanDerWaalsContact O-N 3.14Å; P543-R546 PolarHBondContact O-N 3.19Å; P543-R546 VanDerWaalsContact O-N 3.15Å
544	T	93.3	Very high	96	Very high	106 Å²	106	44.5 Å²	44.5	65%	0.65	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-69.6	-8.4	177	69.8	0	0	0	0	114.1	D542	D542-T544 PolarHBondContact O-N 3.48Å; D542-T544 VanDerWaalsContact O-N 3.14Å; D542-T544 WeakPolarHBondContact OD1-CB 2.93Å; D542-T544 PolarHBondContact OD1-N 3Å; D542-T544 VanDerWaalsContact OD1-N 3.13Å; D542-T544 PolarHBondContact OD1-OG1 2.95Å
545	K	95.1	Very high	96	Very high	137 Å²	137	45.3 Å²	45.3	60%	0.596	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-107.3	0.2	175.4	-59.2	-175.6	-173.6	-176.7	0	113.6	D542 P543	D542-K545 HydrophobicContact CB-CB 4.46Å; D542-K545 HydrophobicContact CB-CD 4.04Å; D542-K545 HydrophobicContact CB-CG 4.04Å; D542-K545 PolarHBondContact O-N 2.8Å; P543-K545 PolarHBondContact O-N 2.94Å; P543-K545 VanDerWaalsContact O-N 3.14Å
546	R	96.7	Very high	95.9	Very high	16 Å²	16	47.8 Å²	47.8	6%	0.06	25%	0.25	C	C	.	.	S	Bend	trans	-73.1	141.8	174.6	-65.6	-179.3	-166.4	145.6	20.6	108.8	E414 N424 V538 S540 P543	E414-R546 IonicContact OE1-CZ 3.92Å; E414-R546 IonicContact OE1-NH1 3.05Å; E414-R546 PolarHBondContact OE1-NH1 3.39Å; E414-R546 IonicContact OE1-NH2 3.81Å; E414-R546 PolarHBondContact OE1-NH2 3.38Å; E414-R546 IonicContact OE2-CZ 3.77Å; E414-R546 IonicContact OE2-NH1 3.31Å; E414-R546 IonicContact OE2-NH2 2.76Å; E414-R546 PolarHBondContact OE2-NH2 3.37Å; N424-R546 PolarHBondContact O-NH1 3.03Å; V538-R546 WeakPolarHBondContact O-CD 3.09Å; V538-R546 WeakPolarHBondContact O-CG 3.26Å; V538-R546 PolarHBondContact O-NE 2.74Å; S540-R546 PolarHBondContact O-NE 2.85Å; S540-R546 PolarHBondContact O-NH2 3.21Å; S540-R546 VanDerWaalsContact O-NH2 3.09Å; P543-R546 PolarHBondContact O-N 3.19Å; P543-R546 VanDerWaalsContact O-N 3.15Å
547	P	96.5	Very high	95.8	Very high	24 Å²	24	44.6 Å²	44.6	16%	0.156	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-59.8	144.1	172.8	25.5	-33.7	0	0	0	110	K537 V538 E551	K537-P547 HydrophobicContact CB-CG 4.02Å; K537-P547 WeakPolarHBondContact O-CD 3.17Å; V538-P547 HydrophobicContact CG2-CG 3.86Å; P547-E551 HydrophobicContact CB-CB 4.05Å
548	S	95.9	Very high	95.7	Very high	43 Å²	43	40.9 Å²	40.9	30%	0.301	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-65	155.9	173.9	74.9	0	0	0	0	110.6	N550 E551 C552	S548-N550 PolarHBondContact O-N 2.93Å; S548-E551 WeakPolarHBondContact CA-OE2 3.3Å; S548-E551 WeakPolarHBondContact CB-OE2 3.24Å; S548-E551 PolarHBondContact N-OE2 2.93Å; S548-E551 WeakPolarHBondContact O-CA 3.22Å; S548-E551 WeakPolarHBondContact O-CB 3.47Å; S548-E551 PolarHBondContact O-N 3.49Å; S548-E551 PolarHBondContact OG-OE2 2.94Å; S548-C552 PolarHBondContact O-N 3.43Å; S548-C552 PolarHBondContact O-SG 2.9Å
549	L	95	Very high	95.5	Very high	12 Å²	12	45 Å²	45	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-55.4	-29.4	-179.8	-176.3	62	0	0	0	114	L355 L358 K359 L427 L553	L355-L549 HydrophobicContact CB-CD1 4.24Å; L355-L549 HydrophobicContact CD2-CD1 3.66Å; L358-L549 HydrophobicContact CB-CD1 3.89Å; L358-L549 HydrophobicContact CB-CD2 3.89Å; L358-L549 HydrophobicContact CD1-CD1 4.27Å; K359-L549 VanDerWaalsContact CA-CD2 3.48Å; K359-L549 HydrophobicContact CB-CD2 3.86Å; K359-L549 HydrophobicContact CG-CD2 4.48Å; L427-L549 HydrophobicContact CD1-CD1 4.16Å; L549-L553 WeakPolarHBondContact O-CG 3.16Å; L549-L553 PolarHBondContact O-N 2.72Å; L549-L553 VanDerWaalsContact O-N 3.15Å
550	N	95	Very high	94.7	Very high	88 Å²	88	48.2 Å²	48.2	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-71.7	-38.9	174	-75.2	-29	0	0	0	111.8	S548 L553 H554	S548-N550 PolarHBondContact O-N 2.93Å; N550-L553 PolarHBondContact O-N 3.12Å; N550-H554 PolarHBondContact O-N 2.85Å; N550-H554 VanDerWaalsContact O-N 3.12Å; N550-H554 PolarHBondContact O-ND1 2.77Å
551	E	96.5	Very high	93.4	Very high	113 Å²	113	51.9 Å²	51.9	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-67.5	-37.5	174.6	-68	157.7	114.3	0	0	111.2	P547 S548 L553 H554 H555	P547-E551 HydrophobicContact CB-CB 4.05Å; S548-E551 WeakPolarHBondContact CA-OE2 3.3Å; S548-E551 WeakPolarHBondContact CB-OE2 3.24Å; S548-E551 PolarHBondContact N-OE2 2.93Å; S548-E551 WeakPolarHBondContact O-CA 3.22Å; S548-E551 WeakPolarHBondContact O-CB 3.47Å; S548-E551 PolarHBondContact O-N 3.49Å; S548-E551 PolarHBondContact OG-OE2 2.94Å; E551-L553 VanDerWaalsContact C-N 3.31Å; E551-L553 PolarHBondContact O-N 2.79Å; E551-H554 CarbonylContact O-C 3.57Å; E551-H554 PolarHBondContact O-N 3.46Å; E551-H555 PolarHBondContact O-N 3.43Å
552	C	97	Very high	93.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-57.8	-41.3	171.4	-65.4	0	0	0	0	112.6	L355 F534 S548 H555	L355-C552 HydrophobicContact CD1-CB 4.07Å; L355-C552 HydrophobicContact CD2-CB 3.87Å; F534-C552 HydrophobicContact CE2-CB 3.99Å; S548-C552 PolarHBondContact O-N 3.43Å; S548-C552 PolarHBondContact O-SG 2.9Å; C552-H555 VanDerWaalsContact O-CB 3.29Å; C552-H555 WeakPolarHBondContact O-CB 3.14Å; C552-H555 PolarHBondContact O-N 2.87Å
553	L	95.5	Very high	93.3	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-72.6	-26.2	178.1	-78.2	172.1	0	0	0	113.6	L355 M356 K359 L549 N550 E551 V559	L355-L553 HydrophobicContact CB-CD2 3.45Å; L355-L553 VanDerWaalsContact CB-CD2 3.45Å; L355-L553 HydrophobicContact CB-CG 4.02Å; L355-L553 HydrophobicContact CD1-CD2 4.08Å; L355-L553 HydrophobicContact CD1-CG 4.49Å; L355-L553 HydrophobicContact CG-CD2 4.42Å; M356-L553 HydrophobicContact CE-CD1 4.11Å; M356-L553 HydrophobicContact CE-CD2 3.9Å; M356-L553 HydrophobicContact SD-CD1 4.26Å; M356-L553 HydrophobicContact SD-CD2 4.44Å; K359-L553 HydrophobicContact CD-CD1 3.73Å; L549-L553 WeakPolarHBondContact O-CG 3.16Å; L549-L553 PolarHBondContact O-N 2.72Å; L549-L553 VanDerWaalsContact O-N 3.15Å; N550-L553 PolarHBondContact O-N 3.12Å; E551-L553 VanDerWaalsContact C-N 3.31Å; E551-L553 PolarHBondContact O-N 2.79Å; L553-V559 VanDerWaalsContact O-CG2 3.3Å; L553-V559 WeakPolarHBondContact O-CG2 3.34Å
554	H	95.9	Very high	93.2	Very high	149 Å²	149	57.4 Å²	57.4	69%	0.69	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	7.6	174.6	-64.7	87	0	0	0	113.2	N550 E551	N550-H554 PolarHBondContact O-N 2.85Å; N550-H554 VanDerWaalsContact O-N 3.12Å; N550-H554 PolarHBondContact O-ND1 2.77Å; E551-H554 CarbonylContact O-C 3.57Å; E551-H554 PolarHBondContact O-N 3.46Å
555	H	96.9	Very high	93.2	Very high	21 Å²	21	54.5 Å²	54.5	10%	0.097	29%	0.287	C	S	.	.			trans	-67.8	139.7	-178	-157.3	-96.1	0	0	0	111.5	D533 F534 K537 E551 C552 F557 V558 V559	D533-H555 IonicContact OD2-CE1 3.32Å; D533-H555 PolarHBondContact OD2-CE1 3.09Å; D533-H555 IonicContact OD2-NE2 3.89Å; D533-H555 PolarHBondContact OD2-NE2 3.19Å; F534-H555 HydrophobicContact CD2-CB 4.01Å; F534-H555 AromaticContact CD2-CG 3.81Å; F534-H555 AromaticContact CD2-ND1 3.86Å; F534-H555 PolarHBondContact N-CE1 3.5Å; K537-H555 PolarHBondContact NZ-NE2 3.23Å; K537-H555 VanDerWaalsContact NZ-NE2 3.17Å; E551-H555 PolarHBondContact O-N 3.43Å; C552-H555 VanDerWaalsContact O-CB 3.29Å; C552-H555 WeakPolarHBondContact O-CB 3.14Å; C552-H555 PolarHBondContact O-N 2.87Å; H555-F557 PolarHBondContact O-N 2.94Å; H555-F557 VanDerWaalsContact O-N 3.1Å; H555-V558 HydrophobicContact CB-CG2 4.41Å; H555-V558 WeakPolarHBondContact O-CA 3.4Å; H555-V558 WeakPolarHBondContact O-CB 3.38Å; H555-V558 PolarHBondContact O-N 2.96Å; H555-V559 PolarHBondContact O-N 3.25Å
556	S	96	Very high	93.1	Very high	52 Å²	52	49.4 Å²	49.4	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-46.7	-43.6	179.4	-81.4	0	0	0	0	113.8	V558 E560	S556-V558 PolarHBondContact O-N 3.37Å; S556-E560 WeakPolarHBondContact CB-OE1 3.41Å; S556-E560 VanDerWaalsContact O-CB 3.25Å; S556-E560 WeakPolarHBondContact O-CB 3.28Å; S556-E560 WeakPolarHBondContact O-CG 3.38Å; S556-E560 PolarHBondContact O-N 2.78Å; S556-E560 PolarHBondContact OG-OE1 2.58Å
557	F	95.9	Very high	92.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-54.8	-39	176.4	-179.6	-117.2	0	0	0	113.5	V344 V347 R348 T351 Q530 L531 F534 H555	V344-F557 HydrophobicContact CG2-CE2 3.91Å; V344-F557 HydrophobicContact CG2-CZ 4.41Å; V347-F557 HydrophobicContact CG1-CZ 4.37Å; R348-F557 HydrophobicContact CB-CE1 4.28Å; R348-F557 HydrophobicContact CB-CE2 4.26Å; R348-F557 HydrophobicContact CB-CZ 3.87Å; R348-F557 WeakPolarHBondContact CD-O 3.35Å; R348-F557 WeakPolarHBondContact CG-O 3.46Å; T351-F557 HydrophobicContact CG2-CD1 4.41Å; T351-F557 HydrophobicContact CG2-CE1 4.32Å; Q530-F557 HydrophobicContact CB-CB 3.84Å; Q530-F557 HydrophobicContact CB-CD2 4.16Å; Q530-F557 HydrophobicContact CB-CG 4.48Å; L531-F557 HydrophobicContact CB-CD2 3.85Å; L531-F557 HydrophobicContact CB-CE2 3.71Å; L531-F557 HydrophobicContact CB-CG 4.37Å; L531-F557 HydrophobicContact CB-CZ 4.09Å; L531-F557 HydrophobicContact CD1-CD1 4.22Å; L531-F557 HydrophobicContact CD1-CE1 3.73Å; L531-F557 HydrophobicContact CD1-CE2 4.31Å; L531-F557 HydrophobicContact CD1-CZ 3.79Å; L531-F557 HydrophobicContact CD2-CZ 4.48Å; L531-F557 HydrophobicContact CG-CE2 4.43Å; L531-F557 HydrophobicContact CG-CZ 4.33Å; F534-F557 HydrophobicContact CB-CB 4.36Å; H555-F557 PolarHBondContact O-N 2.94Å; H555-F557 VanDerWaalsContact O-N 3.1Å
558	V	94	Very high	92.6	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-85.3	-50.6	-173.4	179.3	0	0	0	0	110.5	R348 T351 H352 L355 F534 H555 S556	R348-V558 PolarHBondContact NH1-O 3.01Å; T351-V558 HydrophobicContact CG2-CG2 3.93Å; H352-V558 HydrophobicContact CB-CG1 3.91Å; L355-V558 HydrophobicContact CD1-CG2 4.12Å; F534-V558 HydrophobicContact CE2-CG2 4.47Å; H555-V558 HydrophobicContact CB-CG2 4.41Å; H555-V558 WeakPolarHBondContact O-CA 3.4Å; H555-V558 WeakPolarHBondContact O-CB 3.38Å; H555-V558 PolarHBondContact O-N 2.96Å; S556-V558 PolarHBondContact O-N 3.37Å
559	V	91.6	Very high	92.3	Very high	87 Å²	87	54.4 Å²	54.4	53%	0.527	29%	0.29	S	S	.	.	H	α-helix	trans	-75.8	-46	-171.9	179.7	0	0	0	0	112.3	L553 H555 T561	L553-V559 VanDerWaalsContact O-CG2 3.3Å; L553-V559 WeakPolarHBondContact O-CG2 3.34Å; H555-V559 PolarHBondContact O-N 3.25Å; V559-T561 PolarHBondContact O-N 3.41Å
560	E	80.4	Confident	92.1	Very high	68 Å²	68	57.9 Å²	57.9	32%	0.318	31%	0.308	S	S	.	.			trans	-71.9	132.9	-176.7	-60.4	170.8	-146.8	0	0	109.9	R348 R526 K527 Q530 S556	R348-E560 WeakPolarHBondContact CD-O 3.27Å; R526-E560 IonicContact NH1-OE2 3.64Å; R526-E560 PolarHBondContact NH1-OE2 3.01Å; K527-E560 VanDerWaalsContact NZ-C 3.27Å; K527-E560 PolarHBondContact NZ-O 2.83Å; Q530-E560 VanDerWaalsContact NE2-CD 3.34Å; Q530-E560 PolarHBondContact NE2-OE1 3.02Å; Q530-E560 PolarHBondContact NE2-OE2 2.99Å; S556-E560 WeakPolarHBondContact CB-OE1 3.41Å; S556-E560 VanDerWaalsContact O-CB 3.25Å; S556-E560 WeakPolarHBondContact O-CB 3.28Å; S556-E560 WeakPolarHBondContact O-CG 3.38Å; S556-E560 PolarHBondContact O-N 2.78Å; S556-E560 PolarHBondContact OG-OE1 2.58Å
561	T	70.3	Confident	91.8	Very high	99 Å²	99	55.2 Å²	55.2	61%	0.607	29%	0.294	S	S	*	.			trans	-63.6	0	164.4	42.2	0	0	0	0	112	R526 K527 V559	R526-T561 PolarHBondContact NH2-O 3.04Å; K527-T561 WeakPolarHBondContact CE-O 3.26Å; K527-T561 WeakPolarHBondContact CE-OXT 3.26Å; K527-T561 PolarHBondContact NZ-O 3.06Å; K527-T561 PolarHBondContact NZ-OXT 3.47Å; V559-T561 PolarHBondContact O-N 3.41Å

Retrieved 561 of 561 residues in 149.3 ms (Link to these results)

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