A0A087Y315_POEFO Loading...

ATP-binding cassette sub-family F member 2

AlphaFold DB , UniProt , Accession A0A087Y315, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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	38	Very low	46	Very low	240 Å²	240	127.3 Å²	127.3	100%	1.182	70%	0.704	S	S	*	*				0	115.9	0	-72.9	-168.5	169.3	0	0	108.7
2	P	41.3	Very low	46.1	Very low	123 Å²	123	131 Å²	131	80%	0.799	71%	0.707	S	S	*	*			trans	-84.9	132.2	177.8	-1	19.5	0	0	0	111
3	S	47	Very low	45.9	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	71%	0.713	S	S	*	*			trans	-60.3	146.4	-173.7	54.9	0	0	0	0	115.6	L5 A6	S3-L5 PolarHBondContact O-N 2.97Å; S3-A6 PolarHBondContact O-N 2.85Å
4	D	48.8	Very low	45.5	Very low	125 Å²	125	137.5 Å²	137.5	67%	0.668	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-4.1	-174.5	-72.3	-51.7	0	0	0	117.4
5	L	44.9	Very low	45.1	Very low	133 Å²	133	138.6 Å²	138.6	70%	0.696	72%	0.716	S	S	*	*	H	α-helix	trans	-72.7	-28.3	172.8	-123.7	103.1	0	0	0	113	S3 K9	S3-L5 PolarHBondContact O-N 2.97Å; L5-K9 PolarHBondContact O-N 3.24Å
6	A	47.3	Very low	44.7	Very low	65 Å²	65	134.6 Å²	134.6	54%	0.537	71%	0.71	S	S	.	*	H	α-helix	trans	-74.2	-31.9	-179.9	0	0	0	0	0	112.6	S3	S3-A6 PolarHBondContact O-N 2.85Å
7	K	47.8	Very low	44.1	Very low	160 Å²	160	131.1 Å²	131.1	70%	0.696	71%	0.705	S	S	*	*	H	α-helix	trans	-73.1	-33.6	176.6	-75.3	179	178.5	172.9	0	112.6	A10 A11	K7-A10 PolarHBondContact O-N 2.89Å; K7-A11 PolarHBondContact O-N 3.03Å
8	K	51.3	Low	43.6	Very low	172 Å²	172	134.4 Å²	134.4	75%	0.748	71%	0.712	S	S	*	*	H	α-helix	trans	-71.5	-31.5	176.7	-94.2	179.9	174.2	175.4	0	114
9	K	48.2	Very low	43.2	Very low	160 Å²	160	132.1 Å²	132.1	70%	0.696	71%	0.713	S	S	*	*	H	α-helix	trans	-73.4	-28.4	175	-85.5	-177	174.2	178.5	0	113.3	L5	L5-K9 PolarHBondContact O-N 3.24Å
10	A	46.3	Very low	42.9	Very low	67 Å²	67	136.8 Å²	136.8	55%	0.554	72%	0.72	S	S	*	*	H	α-helix	trans	-75.3	-30.4	178.1	0	0	0	0	0	113.5	K7	K7-A10 PolarHBondContact O-N 2.89Å
11	A	45.7	Very low	42.2	Very low	64 Å²	64	138.3 Å²	138.3	53%	0.529	72%	0.724	S	S	.	*	H	α-helix	trans	-73.6	-43	178.2	0	0	0	0	0	112.9	K7 K13 K14	K7-A11 PolarHBondContact O-N 3.03Å; A11-K13 VanDerWaalsContact C-N 3.3Å; A11-K13 PolarHBondContact O-N 2.92Å; A11-K14 PolarHBondContact O-N 3.24Å
12	K	46.7	Very low	41.6	Very low	172 Å²	172	138.1 Å²	138.1	75%	0.748	71%	0.71	S	S	*	*	H	α-helix	trans	-66.9	-25.8	179	-97.1	-175.5	172.7	-176.4	0	114.2	K14	K12-K14 VanDerWaalsContact C-N 3.3Å; K12-K14 PolarHBondContact O-N 3.21Å
13	K	43.8	Very low	41	Very low	179 Å²	179	137.9 Å²	137.9	78%	0.778	71%	0.708	S	S	*	*	H	α-helix	trans	-77.2	-15.8	178.2	-135.7	177.8	-176.6	-177.6	0	112.9	A11	A11-K13 VanDerWaalsContact C-N 3.3Å; A11-K13 PolarHBondContact O-N 2.92Å
14	K	39.7	Very low	40.3	Very low	174 Å²	174	143.5 Å²	143.5	76%	0.757	72%	0.721	S	S	*	*	H	α-helix	trans	-90.7	-20.5	-178.7	-133.1	176.9	-177.3	-179.3	0	113.5	A11 K12	A11-K14 PolarHBondContact O-N 3.24Å; K12-K14 VanDerWaalsContact C-N 3.3Å; K12-K14 PolarHBondContact O-N 3.21Å
15	E	39.5	Very low	39.2	Very low	154 Å²	154	147.8 Å²	147.8	72%	0.72	73%	0.734	S	S	*	*	H	α-helix	trans	-85	-35.9	174.9	-77.1	-178.1	146.5	0	0	113	A17 K18	E15-A17 PolarHBondContact O-N 3.46Å; E15-K18 PolarHBondContact O-N 3.28Å
16	A	38.8	Very low	38.1	Very low	74 Å²	74	146 Å²	146	61%	0.612	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-18.1	178.9	0	0	0	0	0	114
17	A	35.1	Very low	36.9	Very low	76 Å²	76	151.1 Å²	151.1	63%	0.628	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-10.1	179.8	0	0	0	0	0	114.2	E15	E15-A17 PolarHBondContact O-N 3.46Å
18	K	34.3	Very low	35.7	Very low	191 Å²	191	151.2 Å²	151.2	83%	0.83	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-12.2	177.2	-91.6	-176.8	172.4	-176.1	0	114.3	E15	E15-K18 PolarHBondContact O-N 3.28Å
19	A	36.6	Very low	34.5	Very low	89 Å²	89	148 Å²	148	74%	0.736	74%	0.743	S	S	*	*	S	Bend	trans	-90.7	4.5	-178	0	0	0	0	0	114.7
20	R	37.1	Very low	33.3	Very low	226 Å²	226	148.1 Å²	148.1	85%	0.853	75%	0.751	S	S	*	*			trans	-125.5	59.1	-178	-74.9	-175	173	-176.2	-1.7	112.5
21	Q	27.5	Very low	32.2	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	76%	0.762	S	S	*	*			trans	-144.3	101.3	163.9	-72.1	-169.1	-8.3	0	0	113
22	R	26.4	Very low	31.1	Very low	236 Å²	236	154 Å²	154	89%	0.891	78%	0.782	S	S	*	*			trans	72	160.7	142.7	-68	-177.8	174.6	-170.6	-1.7	120.4
23	P	29.3	Very low	30.1	Very low	118 Å²	118	149.5 Å²	149.5	77%	0.766	79%	0.785	S	S	*	*			cis	-135.2	172.8	-35.9	35.6	-17.3	0	0	0	114.4
24	K	32.1	Very low	29.1	Very low	209 Å²	209	150.5 Å²	150.5	91%	0.909	79%	0.792	S	S	*	*			trans	-70.2	146	170.1	-80.5	178.3	169.8	-179.3	0	112.9
25	K	24.2	Very low	28.3	Very low	215 Å²	215	150.1 Å²	150.1	94%	0.935	79%	0.793	S	S	*	*			trans	-150.4	151.8	154.7	-109.6	-175	179.2	-173.2	0	112
26	S	21.8	Very low	27.7	Very low	94 Å²	94	148.2 Å²	148.2	66%	0.657	79%	0.794	S	S	*	*			trans	-98.7	158.9	-165.8	43.1	0	0	0	0	114.3
27	E	23.3	Very low	26.9	Very low	173 Å²	173	151.9 Å²	151.9	81%	0.808	80%	0.798	S	S	*	*			trans	60.5	146.8	150.5	-73.7	170.6	178.5	0	0	117
28	E	22.4	Very low	26.4	Very low	162 Å²	162	156.2 Å²	156.2	76%	0.757	81%	0.809	S	S	*	*			cis	-172.2	152.7	13.7	-117.4	-177.5	172.2	0	0	107.9
29	V	25.3	Very low	25.9	Very low	105 Å²	105	154.9 Å²	154.9	64%	0.636	81%	0.806	S	S	*	*			trans	74.5	125.3	135	178.8	0	0	0	0	124
30	N	23.7	Very low	25.3	Very low	162 Å²	162	159.6 Å²	159.6	87%	0.866	81%	0.813	S	S	*	*			trans	78.5	133.5	147.7	-71.5	-8.4	0	0	0	125
31	G	23.9	Very low	24.6	Very low	76 Å²	76	156.7 Å²	156.7	78%	0.784	81%	0.814	S	S	*	*			trans	151	107.1	145.2	0	0	0	0	0	116
32	D	22.5	Very low	24.4	Very low	179 Å²	179	152 Å²	152	96%	0.957	81%	0.812	S	S	*	*			trans	-61.2	157.6	-179.3	-64.6	-60.9	0	0	0	116.8
33	G	23.8	Very low	24.4	Very low	78 Å²	78	145.6 Å²	145.6	80%	0.804	81%	0.809	S	S	*	*			trans	-179.6	120.2	164.1	0	0	0	0	0	112.7
34	E	24.1	Very low	24.3	Very low	200 Å²	200	147 Å²	147	94%	0.935	81%	0.81	S	S	*	*			trans	-67.9	156.8	-164.3	-68.8	165.6	137.3	0	0	117.7
35	Q	22	Very low	24.2	Very low	165 Å²	165	142.3 Å²	142.3	77%	0.771	80%	0.804	S	S	*	*			trans	-36.8	171.1	167.3	-82.5	-179.2	-5.2	0	0	118.4
36	P	28.2	Very low	24.6	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	79%	0.79	S	S	*	*			cis	-142.1	157.3	28	31.5	-7	0	0	0	120.2
37	E	22	Very low	25.1	Very low	152 Å²	152	135.6 Å²	135.6	71%	0.71	78%	0.782	S	S	*	*			trans	9.6	121.3	146.8	-59.5	-176.7	161.3	0	0	120.7
38	I	24.7	Very low	25.9	Very low	167 Å²	167	131.4 Å²	131.4	86%	0.856	77%	0.768	S	S	*	*			trans	-131	120.7	142.3	-60.4	178.7	0	0	0	107.4
39	Q	22.7	Very low	26.5	Very low	163 Å²	163	125.6 Å²	125.6	76%	0.762	75%	0.752	S	S	*	*			trans	-69.9	121.9	177.5	-69.9	171.9	1.9	0	0	110.8
40	E	23.3	Very low	27	Very low	188 Å²	188	123.4 Å²	123.4	88%	0.879	74%	0.741	S	S	*	*			trans	-115.7	111.8	157	-86.1	-169.6	160.1	0	0	109.3	G42	E40-G42 PolarHBondContact O-N 3.44Å
41	N	23.2	Very low	27.8	Very low	165 Å²	165	120.7 Å²	120.7	88%	0.882	73%	0.726	S	S	*	*			trans	-75	94.3	168.5	-78.7	-38.3	0	0	0	109.2
42	G	23.6	Very low	28.8	Very low	72 Å²	72	119.8 Å²	119.8	74%	0.742	71%	0.705	S	S	*	*			trans	-96.2	113.1	165.4	0	0	0	0	0	110.4	E40	E40-G42 PolarHBondContact O-N 3.44Å
43	A	25.8	Very low	29.9	Very low	101 Å²	101	118.1 Å²	118.1	84%	0.835	69%	0.69	S	S	*	*			trans	-65	131.3	179.9	0	0	0	0	0	112.5	S45	A43-S45 PolarHBondContact O-N 2.97Å
44	D	27.3	Very low	30.9	Very low	147 Å²	147	119.7 Å²	119.7	79%	0.786	68%	0.676	S	S	*	*			trans	-57.2	116.7	-179.8	-86.2	-51.3	0	0	0	114
45	S	30	Very low	32.1	Very low	111 Å²	111	115 Å²	115	78%	0.776	66%	0.657	S	S	*	*			trans	-96.3	19.3	164.5	63.3	0	0	0	0	113.1	A43	A43-S45 PolarHBondContact O-N 2.97Å
46	N	33	Very low	33.6	Very low	119 Å²	119	110.7 Å²	110.7	64%	0.636	64%	0.639	S	S	*	*			trans	-97.6	-2.7	-170.1	-78.1	-28.3	0	0	0	115.7
47	G	32.8	Very low	34.8	Very low	49 Å²	49	110.5 Å²	110.5	51%	0.505	63%	0.629	S	S	.	*	H	α-helix	trans	-73.4	-34.2	-174.3	0	0	0	0	0	115.6
48	V	39.4	Very low	36.3	Very low	84 Å²	84	106.3 Å²	106.3	51%	0.509	61%	0.608	S	S	.	*	H	α-helix	trans	-78.6	-37.1	-170.5	-176.8	0	0	0	0	112.2	S50 L51 T52 P175	V48-S50 VanDerWaalsContact C-N 3.27Å; V48-S50 PolarHBondContact O-N 2.99Å; V48-L51 PolarHBondContact O-N 3.48Å; V48-T52 PolarHBondContact O-N 2.97Å; V48-T52 PolarHBondContact O-OG1 3.4Å; V48-P175 HydrophobicContact CG1-CG 3.69Å
49	G	35.9	Very low	37.7	Very low	41 Å²	41	99.8 Å²	99.8	42%	0.423	57%	0.574	S	S	.	*	H	α-helix	trans	-70.5	-20.8	177.8	0	0	0	0	0	113.9	T52 K53	G49-T52 PolarHBondContact O-OG1 3.23Å; G49-K53 WeakPolarHBondContact O-CD 3.4Å; G49-K53 VanDerWaalsContact O-CG 3.27Å; G49-K53 WeakPolarHBondContact O-CG 3.44Å
50	S	34.2	Very low	39.4	Very low	58 Å²	58	97.2 Å²	97.2	41%	0.406	57%	0.565	S	S	.	*	H	α-helix	trans	-73.9	-45.2	175.3	-160.8	0	0	0	0	111.3	V48 T52 K53 E54	V48-S50 VanDerWaalsContact C-N 3.27Å; V48-S50 PolarHBondContact O-N 2.99Å; S50-T52 PolarHBondContact O-N 3.29Å; S50-K53 PolarHBondContact O-N 2.95Å; S50-E54 WeakPolarHBondContact O-CG 3.33Å; S50-E54 PolarHBondContact O-N 3.44Å; S50-E54 PolarHBondContact OG-OE1 3.5Å
51	L	41.3	Very low	41.1	Very low	105 Å²	105	93.3 Å²	93.3	55%	0.55	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-40.7	-177.9	-74.1	160.5	0	0	0	112.8	V48 K53 E54 L55	V48-L51 PolarHBondContact O-N 3.48Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 2.82Å; L51-E54 PolarHBondContact O-N 3.16Å; L51-L55 WeakPolarHBondContact O-CD1 3.47Å; L51-L55 PolarHBondContact O-N 3.34Å; L51-L55 VanDerWaalsContact O-N 3.1Å
52	T	45.8	Very low	42.7	Very low	57 Å²	57	87.7 Å²	87.7	35%	0.35	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-38.6	176.8	51.5	0	0	0	0	111.9	V48 G49 S50 L55 D56	V48-T52 PolarHBondContact O-N 2.97Å; V48-T52 PolarHBondContact O-OG1 3.4Å; G49-T52 PolarHBondContact O-OG1 3.23Å; S50-T52 PolarHBondContact O-N 3.29Å; T52-L55 PolarHBondContact O-N 3.44Å; T52-D56 PolarHBondContact O-N 3.16Å
53	K	44.1	Very low	44.5	Very low	145 Å²	145	86.9 Å²	86.9	63%	0.63	49%	0.49	S	S	*	.	H	α-helix	trans	-67.7	-41.4	176.4	-74.5	178.2	-178.7	-178.5	0	112.3	G49 S50 L51 L55 D56 E57	G49-K53 WeakPolarHBondContact O-CD 3.4Å; G49-K53 VanDerWaalsContact O-CG 3.27Å; G49-K53 WeakPolarHBondContact O-CG 3.44Å; S50-K53 PolarHBondContact O-N 2.95Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 2.82Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 PolarHBondContact O-N 2.89Å; K53-D56 PolarHBondContact O-N 3.09Å; K53-E57 WeakPolarHBondContact O-CG 3.47Å; K53-E57 PolarHBondContact O-N 3.3Å
54	E	46.5	Very low	46.2	Very low	111 Å²	111	89.2 Å²	89.2	52%	0.519	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-37	175.8	-75.3	171.7	-152.4	0	0	112.2	S50 L51 F58	S50-E54 WeakPolarHBondContact O-CG 3.33Å; S50-E54 PolarHBondContact O-N 3.44Å; S50-E54 PolarHBondContact OG-OE1 3.5Å; L51-E54 PolarHBondContact O-N 3.16Å; E54-F58 WeakPolarHBondContact O-CB 3.25Å; E54-F58 PolarHBondContact O-N 3.17Å
55	L	47.8	Very low	48	Very low	101 Å²	101	83.2 Å²	83.2	53%	0.529	46%	0.455	S	S	.	.	H	α-helix	trans	-73	-36.1	175.5	-79.8	153.8	0	0	0	112.9	L51 T52 K53 F58 E59	L51-L55 WeakPolarHBondContact O-CD1 3.47Å; L51-L55 PolarHBondContact O-N 3.34Å; L51-L55 VanDerWaalsContact O-N 3.1Å; T52-L55 PolarHBondContact O-N 3.44Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 PolarHBondContact O-N 2.89Å; L55-F58 WeakPolarHBondContact O-CB 3.4Å; L55-F58 PolarHBondContact O-N 2.9Å; L55-E59 PolarHBondContact O-N 2.87Å
56	D	54	Low	50.2	Low	75 Å²	75	78.9 Å²	78.9	40%	0.401	42%	0.422	S	S	.	.	H	α-helix	trans	-66.7	-43.8	173.2	-75.8	-29.1	0	0	0	112	T52 K53 F58 E59 L60 R171	T52-D56 PolarHBondContact O-N 3.16Å; K53-D56 PolarHBondContact O-N 3.09Å; D56-F58 PolarHBondContact O-N 3.34Å; D56-E59 PolarHBondContact O-N 3.33Å; D56-L60 PolarHBondContact O-N 3.32Å; D56-R171 IonicContact OD1-CZ 2.79Å; D56-R171 IonicContact OD1-NH1 2.74Å; D56-R171 PolarHBondContact OD1-NH1 3.16Å; D56-R171 IonicContact OD1-NH2 3.74Å; D56-R171 PolarHBondContact OD1-NH2 3.32Å
57	E	54.2	Low	52.6	Low	110 Å²	110	75.8 Å²	75.8	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-35.6	170.8	-77.1	-173.2	-168.5	0	0	111.8	K53 L60 R61	K53-E57 WeakPolarHBondContact O-CG 3.47Å; K53-E57 PolarHBondContact O-N 3.3Å; E57-L60 PolarHBondContact O-N 2.89Å; E57-R61 VanDerWaalsContact O-CG 3.29Å; E57-R61 WeakPolarHBondContact O-CG 3.47Å; E57-R61 PolarHBondContact O-N 2.86Å; E57-R61 IonicContact OE2-NH2 2.71Å
58	F	52	Low	55	Low	64 Å²	64	75 Å²	75	28%	0.281	40%	0.398	S	S	.	.	H	α-helix	trans	-69.5	-41.7	179.1	-175.1	-105.7	0	0	0	113.2	E54 L55 D56 R61 K62	E54-F58 WeakPolarHBondContact O-CB 3.25Å; E54-F58 PolarHBondContact O-N 3.17Å; L55-F58 WeakPolarHBondContact O-CB 3.4Å; L55-F58 PolarHBondContact O-N 2.9Å; D56-F58 PolarHBondContact O-N 3.34Å; F58-R61 PolarHBondContact O-N 2.9Å; F58-K62 HydrophobicContact CE1-CD 4.41Å; F58-K62 PolarHBondContact O-N 3.24Å; F58-K62 VanDerWaalsContact O-N 3.1Å
59	E	54	Low	57.4	Low	29 Å²	29	75 Å²	75	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-65.8	-40.4	172.2	-81	-62.8	144.9	0	0	111.6	L55 D56 R61 K62 T63 R171	L55-E59 PolarHBondContact O-N 2.87Å; D56-E59 PolarHBondContact O-N 3.33Å; E59-R61 VanDerWaalsContact C-N 3.26Å; E59-R61 PolarHBondContact O-N 3.33Å; E59-K62 WeakPolarHBondContact O-CB 3.3Å; E59-K62 PolarHBondContact O-N 2.85Å; E59-K62 IonicContact OE1-NZ 2.85Å; E59-K62 PolarHBondContact OE1-NZ 3.41Å; E59-T63 PolarHBondContact O-N 2.87Å; E59-T63 PolarHBondContact O-OG1 3.37Å; E59-R171 VanDerWaalsContact CG-NH2 3.31Å
60	L	59.6	Low	59.9	Low	110 Å²	110	74.3 Å²	74.3	58%	0.576	39%	0.391	S	S	*	.	H	α-helix	trans	-55.6	-44.2	173.9	-124.3	112.4	0	0	0	111.5	D56 E57 K62 T63 E64	D56-L60 PolarHBondContact O-N 3.32Å; E57-L60 PolarHBondContact O-N 2.89Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.43Å; L60-T63 WeakPolarHBondContact O-CB 3.33Å; L60-T63 PolarHBondContact O-N 3.26Å; L60-E64 WeakPolarHBondContact O-CG 3.43Å; L60-E64 PolarHBondContact O-N 3.47Å
61	R	58.4	Low	62.6	Low	106 Å²	106	75.8 Å²	75.8	40%	0.4	40%	0.397	S	S	.	.	H	α-helix	trans	-66	-31.1	176.4	-71.9	178.5	-165.6	177.4	9.4	113.4	E57 F58 E59 A65 M137	E57-R61 VanDerWaalsContact O-CG 3.29Å; E57-R61 WeakPolarHBondContact O-CG 3.47Å; E57-R61 PolarHBondContact O-N 2.86Å; E57-R61 IonicContact OE2-NH2 2.71Å; F58-R61 PolarHBondContact O-N 2.9Å; E59-R61 VanDerWaalsContact C-N 3.26Å; E59-R61 PolarHBondContact O-N 3.33Å; R61-A65 WeakPolarHBondContact O-CB 3.49Å; R61-A65 PolarHBondContact O-N 3.37Å; R61-A65 VanDerWaalsContact O-N 3.16Å; R61-M137 HydrophobicContact CB-CE 3.79Å; R61-M137 VanDerWaalsContact CD-CE 3.43Å; R61-M137 HydrophobicContact CG-CE 4.14Å
62	K	57.8	Low	65	Low	46 Å²	46	73 Å²	73	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-68.7	-41.7	172.7	-76.5	-178.8	-174.7	165.2	0	111.2	F58 E59 L60 A65 R66 F90 M148	F58-K62 HydrophobicContact CE1-CD 4.41Å; F58-K62 PolarHBondContact O-N 3.24Å; F58-K62 VanDerWaalsContact O-N 3.1Å; E59-K62 WeakPolarHBondContact O-CB 3.3Å; E59-K62 PolarHBondContact O-N 2.85Å; E59-K62 IonicContact OE1-NZ 2.85Å; E59-K62 PolarHBondContact OE1-NZ 3.41Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.43Å; K62-A65 PolarHBondContact O-N 2.86Å; K62-R66 WeakPolarHBondContact O-CB 3.34Å; K62-R66 PolarHBondContact O-N 3.43Å; K62-F90 HydrophobicContact CB-CE2 4.32Å; K62-F90 HydrophobicContact CG-CZ 4.37Å; K62-M148 HydrophobicContact CD-CE 4.4Å
63	T	60.4	Low	67.1	Low	55 Å²	55	72.9 Å²	72.9	34%	0.337	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-44.7	175.6	-56.9	0	0	0	0	110.7	E59 L60 A65 R66	E59-T63 PolarHBondContact O-N 2.87Å; E59-T63 PolarHBondContact O-OG1 3.37Å; L60-T63 WeakPolarHBondContact O-CB 3.33Å; L60-T63 PolarHBondContact O-N 3.26Å; T63-A65 PolarHBondContact O-N 3.25Å; T63-R66 PolarHBondContact O-N 3.16Å; T63-R66 VanDerWaalsContact O-N 3.11Å
64	E	61.4	Low	69.3	Low	150 Å²	150	67 Å²	67	70%	0.701	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-30.1	176.1	-73	175.7	174.5	0	0	113.4	L60 R66	L60-E64 WeakPolarHBondContact O-CG 3.43Å; L60-E64 PolarHBondContact O-N 3.47Å; E64-R66 VanDerWaalsContact C-N 3.33Å
65	A	65.2	Low	71.1	Confident	22 Å²	22	67.8 Å²	67.8	18%	0.182	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.4	178.8	0	0	0	0	0	114.2	R61 K62 T63 F90 H91	R61-A65 WeakPolarHBondContact O-CB 3.49Å; R61-A65 PolarHBondContact O-N 3.37Å; R61-A65 VanDerWaalsContact O-N 3.16Å; K62-A65 PolarHBondContact O-N 2.86Å; T63-A65 PolarHBondContact O-N 3.25Å; A65-F90 HydrophobicContact CB-CD2 4.36Å; A65-F90 HydrophobicContact CB-CE2 3.97Å; A65-H91 WeakPolarHBondContact CB-CE1 3.5Å; A65-H91 WeakPolarHBondContact CB-ND1 3.25Å; A65-H91 PolarHBondContact O-N 3.3Å
66	R	76.7	Confident	72.7	Confident	20 Å²	20	66.6 Å²	66.6	8%	0.075	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.5	-174	-167.5	-171.6	-72.9	152.9	10	110.3	K62 T63 E64 V68 L88 T89 F90 M148 S151 E157	K62-R66 WeakPolarHBondContact O-CB 3.34Å; K62-R66 PolarHBondContact O-N 3.43Å; T63-R66 PolarHBondContact O-N 3.16Å; T63-R66 VanDerWaalsContact O-N 3.11Å; E64-R66 VanDerWaalsContact C-N 3.33Å; R66-V68 HydrophobicContact CG-CG2 3.98Å; R66-L88 HydrophobicContact CG-CD1 3.68Å; R66-T89 WeakPolarHBondContact CA-O 3.41Å; R66-T89 WeakPolarHBondContact CG-O 3.33Å; R66-F90 HydrophobicContact CB-CD2 4.02Å; R66-F90 HydrophobicContact CG-CD2 4.36Å; R66-M148 PolarHBondContact NH2-SD 3.47Å; R66-S151 VanDerWaalsContact NH2-CB 3.27Å; R66-E157 WeakPolarHBondContact CD-OE2 3.49Å; R66-E157 IonicContact CZ-OE1 3.48Å; R66-E157 IonicContact CZ-OE2 3.78Å; R66-E157 IonicContact NE-OE2 3.49Å; R66-E157 VanDerWaalsContact NH1-CD 3.31Å; R66-E157 IonicContact NH1-OE1 3.72Å; R66-E157 PolarHBondContact NH1-OE1 3.36Å; R66-E157 IonicContact NH1-OE2 2.74Å; R66-E157 PolarHBondContact NH1-OE2 3.14Å
67	A	82.3	Confident	73.9	Confident	53 Å²	53	69 Å²	69	44%	0.438	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.6	171.2	0	0	0	0	0	109.1	T89	A67-T89 WeakPolarHBondContact CB-OG1 3.17Å; A67-T89 PolarHBondContact N-O 3.03Å; A67-T89 PolarHBondContact O-N 3.43Å; A67-T89 PolarHBondContact O-OG1 3.13Å
68	V	84.9	Confident	75.5	Confident	33 Å²	33	65.2 Å²	65.2	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.7	-177.8	-163	0	0	0	0	108.8	R66 L86 S87 L88 A152 E157 I158	R66-V68 HydrophobicContact CG-CG2 3.98Å; V68-L86 HydrophobicContact CG1-CD1 3.9Å; V68-S87 WeakPolarHBondContact CA-O 3.32Å; V68-L88 HydrophobicContact CB-CD1 4.41Å; V68-L88 HydrophobicContact CG1-CD1 4.35Å; V68-L88 HydrophobicContact CG2-CD1 3.56Å; V68-A152 HydrophobicContact CG2-CB 4.2Å; V68-E157 HydrophobicContact CB-CB 4.43Å; V68-E157 HydrophobicContact CG2-CB 3.94Å; V68-E157 WeakPolarHBondContact CG2-OE2 3.3Å; V68-I158 HydrophobicContact CG1-CD1 4.42Å; V68-I158 HydrophobicContact CG1-CG1 3.64Å
69	T	89.3	Confident	77.1	Confident	85 Å²	85	65.5 Å²	65.5	52%	0.521	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.3	170.9	61.6	0	0	0	0	108.6	L86 S87	T69-L86 CarbonylContact O-C 3.6Å; T69-L86 WeakPolarHBondContact O-CA 3.39Å; T69-S87 PolarHBondContact N-O 2.96Å; T69-S87 PolarHBondContact O-N 2.9Å; T69-S87 WeakPolarHBondContact OG1-CB 3.32Å
70	G	88.4	Confident	78.9	Confident	25 Å²	25	66.6 Å²	66.6	26%	0.258	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	154.4	174.6	0	0	0	0	0	110
71	V	90.4	Very high	80.4	Confident	90 Å²	90	61.5 Å²	61.5	55%	0.545	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.9	179.3	-178.2	0	0	0	0	108.4	A73 I83 S84	V71-A73 PolarHBondContact O-N 3.4Å; V71-A73 VanDerWaalsContact O-N 3.15Å; V71-I83 CarbonylContact O-C 3.51Å; V71-I83 VanDerWaalsContact O-CA 3.32Å; V71-I83 WeakPolarHBondContact O-CA 3.37Å; V71-S84 PolarHBondContact N-O 2.94Å; V71-S84 PolarHBondContact O-N 2.87Å; V71-S84 PolarHBondContact O-OG 3.23Å
72	L	91.6	Very high	82.1	Confident	47 Å²	47	59.3 Å²	59.3	25%	0.246	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	112.7	171.3	-179	66.7	0	0	0	108.3	S74 P159 P161	L72-S74 WeakPolarHBondContact CD1-OG 3.33Å; L72-P159 HydrophobicContact CB-CB 4.08Å; L72-P159 HydrophobicContact CB-CG 4.08Å; L72-P159 WeakPolarHBondContact CD1-O 3.45Å; L72-P161 HydrophobicContact CD2-CG 4.12Å
73	A	90.6	Very high	83.8	Confident	53 Å²	53	57.2 Å²	57.2	44%	0.438	34%	0.337	S	S	.	.			trans	-100.2	-19.3	-179.7	0	0	0	0	0	112.2	V71 H82	V71-A73 PolarHBondContact O-N 3.4Å; V71-A73 VanDerWaalsContact O-N 3.15Å; A73-H82 WeakPolarHBondContact CB-CD2 3.43Å; A73-H82 PolarHBondContact N-O 2.82Å
74	S	89.3	Confident	85.4	Confident	21 Å²	21	56.3 Å²	56.3	15%	0.147	33%	0.333	C	S	.	.	S	Bend	trans	-75.9	158.6	168.9	59.3	0	0	0	0	112	L72 D80 H82	L72-S74 WeakPolarHBondContact CD1-OG 3.33Å; S74-D80 VanDerWaalsContact CB-O 3.31Å; S74-D80 WeakPolarHBondContact CB-O 3.46Å; S74-D80 PolarHBondContact OG-O 2.96Å; S74-H82 PolarHBondContact N-O 3.29Å; S74-H82 PolarHBondContact OG-N 2.88Å
75	H	84.6	Confident	86.8	Confident	128 Å²	128	52 Å²	52	59%	0.593	32%	0.32	S	S	*	.			trans	-63	139.8	177.4	-169.9	-89.8	0	0	0	110.4	N77 S78	H75-N77 PolarHBondContact ND1-N 3.48Å; H75-N77 PolarHBondContact O-N 2.87Å; H75-N77 VanDerWaalsContact O-N 3.07Å; H75-S78 WeakPolarHBondContact O-CB 3.29Å; H75-S78 PolarHBondContact O-N 3.24Å
76	P	82.4	Confident	88	Confident	77 Å²	77	51 Å²	51	50%	0.5	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.6	-176.6	-28.5	35.9	0	0	0	115.4	P161 H163	P76-P161 WeakPolarHBondContact O-CB 3.39Å; P76-H163 PolarHBondContact O-CE1 2.75Å; P76-H163 PolarHBondContact O-ND1 3.42Å
77	N	78.8	Confident	88.7	Confident	124 Å²	124	51.2 Å²	51.2	66%	0.663	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	2.9	175.9	-60.1	-17.3	0	0	0	113.4	H75	H75-N77 PolarHBondContact ND1-N 3.48Å; H75-N77 PolarHBondContact O-N 2.87Å; H75-N77 VanDerWaalsContact O-N 3.07Å
78	S	86.6	Confident	88.9	Confident	32 Å²	32	48.8 Å²	48.8	22%	0.224	30%	0.295	C	S	.	.			trans	-68.7	143.7	179.5	-179.6	0	0	0	0	110.7	H75 D80 H163	H75-S78 WeakPolarHBondContact O-CB 3.29Å; H75-S78 PolarHBondContact O-N 3.24Å; S78-D80 VanDerWaalsContact C-N 3.29Å; S78-D80 WeakPolarHBondContact CB-O 3.48Å; S78-D80 PolarHBondContact OG-N 2.98Å; S78-D80 PolarHBondContact OG-O 3.29Å; S78-H163 PolarHBondContact O-CE1 3.35Å; S78-H163 VanDerWaalsContact O-CE1 3.25Å; S78-H163 PolarHBondContact O-NE2 3.3Å
79	T	86.3	Confident	88.8	Confident	69 Å²	69	49.3 Å²	49.3	42%	0.423	30%	0.299	S	S	.	.	S	Bend	trans	-76.9	-21.2	167.4	46.2	0	0	0	0	112.2	F270	T79-F270 HydrophobicContact CG2-CE2 4.12Å; T79-F270 HydrophobicContact CG2-CZ 3.62Å; T79-F270 WeakPolarHBondContact O-CE1 3.33Å
80	D	91.5	Very high	88.2	Confident	53 Å²	53	45.7 Å²	45.7	28%	0.283	28%	0.276	S	S	.	.	S	Bend	trans	-88.7	136.3	173.5	-67.8	-10.5	0	0	0	111.1	S74 S78 N104 S105	S74-D80 VanDerWaalsContact CB-O 3.31Å; S74-D80 WeakPolarHBondContact CB-O 3.46Å; S74-D80 PolarHBondContact OG-O 2.96Å; S78-D80 VanDerWaalsContact C-N 3.29Å; S78-D80 WeakPolarHBondContact CB-O 3.48Å; S78-D80 PolarHBondContact OG-N 2.98Å; S78-D80 PolarHBondContact OG-O 3.29Å; D80-N104 VanDerWaalsContact OD1-CA 3.24Å; D80-N104 WeakPolarHBondContact OD1-CA 3.37Å; D80-N104 PolarHBondContact OD2-ND2 3.48Å; D80-S105 PolarHBondContact OD1-N 3.42Å
81	V	92.2	Very high	87.4	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.2	178.9	-176.9	0	0	0	0	109.1	I83 L103 I160 I164 M271 I299	V81-I83 HydrophobicContact CG1-CD1 3.57Å; V81-I83 HydrophobicContact CG1-CG1 4.18Å; V81-L103 HydrophobicContact CB-CB 4.31Å; V81-L103 PolarHBondContact N-O 2.93Å; V81-L103 PolarHBondContact O-N 3.48Å; V81-I160 HydrophobicContact CG2-CG2 4.37Å; V81-I164 HydrophobicContact CG2-CD1 3.4Å; V81-I164 VanDerWaalsContact CG2-CD1 3.4Å; V81-M271 HydrophobicContact CG2-CE 3.94Å; V81-I299 HydrophobicContact CG2-CD1 4.38Å
82	H	94.1	Very high	86.4	Confident	61 Å²	61	49.4 Å²	49.4	28%	0.282	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.3	172.4	-177.6	51.8	0	0	0	109.6	A73 S74 L101 E102	A73-H82 WeakPolarHBondContact CB-CD2 3.43Å; A73-H82 PolarHBondContact N-O 2.82Å; S74-H82 PolarHBondContact N-O 3.29Å; S74-H82 PolarHBondContact OG-N 2.88Å; H82-L101 CarbonylContact C-O 3.59Å; H82-L101 WeakPolarHBondContact CA-O 3.21Å; H82-E102 IonicContact CE1-OE1 2.85Å; H82-E102 PolarHBondContact CE1-OE1 3.23Å; H82-E102 WeakPolarHBondContact ND1-CG 3.31Å; H82-E102 IonicContact ND1-OE1 3.32Å
83	I	93.1	Very high	85.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121	176	-60.4	128.6	0	0	0	108.3	V71 V81 L86 S100 L101 I158	V71-I83 CarbonylContact O-C 3.51Å; V71-I83 VanDerWaalsContact O-CA 3.32Å; V71-I83 WeakPolarHBondContact O-CA 3.37Å; V81-I83 HydrophobicContact CG1-CD1 3.57Å; V81-I83 HydrophobicContact CG1-CG1 4.18Å; I83-L86 HydrophobicContact CG2-CB 4.21Å; I83-L86 HydrophobicContact CG2-CD1 4.36Å; I83-S100 CarbonylContact O-C 3.52Å; I83-S100 VanDerWaalsContact O-CA 3.26Å; I83-S100 WeakPolarHBondContact O-CA 3.38Å; I83-L101 HydrophobicContact CB-CB 4.31Å; I83-L101 HydrophobicContact CD1-CB 4.26Å; I83-L101 HydrophobicContact CD1-CD2 3.85Å; I83-L101 HydrophobicContact CD1-CG 4.17Å; I83-L101 PolarHBondContact N-O 3.25Å; I83-L101 PolarHBondContact O-N 2.9Å; I83-I158 HydrophobicContact CB-CG2 4.42Å; I83-I158 HydrophobicContact CD1-CG2 3.24Å; I83-I158 HydrophobicContact CG1-CG2 3.71Å; I83-I158 HydrophobicContact CG2-CG2 4.12Å
84	S	92.9	Very high	84.9	Confident	37 Å²	37	49.7 Å²	49.7	26%	0.259	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	153.5	173.7	58	0	0	0	0	111.3	V71 L86	V71-S84 PolarHBondContact N-O 2.94Å; V71-S84 PolarHBondContact O-N 2.87Å; V71-S84 PolarHBondContact O-OG 3.23Å; S84-L86 PolarHBondContact O-N 3.22Å
85	S	91.3	Very high	84.6	Confident	60 Å²	60	49.1 Å²	49.1	42%	0.42	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.9	41.9	176.9	-65.6	0	0	0	0	114	S87 D98 T99	S85-S87 PolarHBondContact O-N 3.49Å; S85-D98 VanDerWaalsContact CA-OD1 3.26Å; S85-D98 WeakPolarHBondContact CA-OD1 3.11Å; S85-D98 VanDerWaalsContact CB-OD1 3.22Å; S85-D98 WeakPolarHBondContact CB-OD1 3.38Å; S85-D98 PolarHBondContact OG-OD1 2.83Å; S85-T99 PolarHBondContact N-O 3.31Å
86	L	91.6	Very high	84.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.4	173.3	-177.7	67.4	0	0	0	109.6	V68 T69 I83 S84 L96 D98 T99 L101 L149 I158	V68-L86 HydrophobicContact CG1-CD1 3.9Å; T69-L86 CarbonylContact O-C 3.6Å; T69-L86 WeakPolarHBondContact O-CA 3.39Å; I83-L86 HydrophobicContact CG2-CB 4.21Å; I83-L86 HydrophobicContact CG2-CD1 4.36Å; S84-L86 PolarHBondContact O-N 3.22Å; L86-L96 HydrophobicContact CD2-CD1 4.08Å; L86-D98 PolarHBondContact O-N 3.45Å; L86-T99 WeakPolarHBondContact CA-O 3.36Å; L86-T99 HydrophobicContact CB-CG2 4.03Å; L86-T99 VanDerWaalsContact CB-O 3.24Å; L86-T99 WeakPolarHBondContact CB-O 3.31Å; L86-T99 HydrophobicContact CD2-CG2 4.33Å; L86-T99 HydrophobicContact CG-CG2 4.44Å; L86-T99 PolarHBondContact N-O 2.81Å; L86-T99 PolarHBondContact O-N 3.3Å; L86-L101 HydrophobicContact CD2-CB 3.84Å; L86-L101 HydrophobicContact CD2-CD2 4.1Å; L86-L149 HydrophobicContact CD2-CD1 4.08Å; L86-I158 HydrophobicContact CD1-CD1 3.92Å; L86-I158 HydrophobicContact CD1-CG1 3.98Å; L86-I158 HydrophobicContact CD1-CG2 4.4Å; L86-I158 HydrophobicContact CD2-CD1 4.39Å
87	S	90	Very high	85	Confident	25 Å²	25	40.6 Å²	40.6	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.8	166.9	-55.3	0	0	0	0	109.2	V68 T69 S85 L96 D98	V68-S87 WeakPolarHBondContact CA-O 3.32Å; T69-S87 PolarHBondContact N-O 2.96Å; T69-S87 PolarHBondContact O-N 2.9Å; T69-S87 WeakPolarHBondContact OG1-CB 3.32Å; S85-S87 PolarHBondContact O-N 3.49Å; S87-L96 VanDerWaalsContact CA-O 3.3Å; S87-L96 WeakPolarHBondContact CA-O 3.48Å; S87-D98 PolarHBondContact OG-N 3.39Å
88	L	87.4	Confident	85.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.9	-177.1	178	64.9	0	0	0	108.2	R66 V68 L95 L96 M148 L149 A152	R66-L88 HydrophobicContact CG-CD1 3.68Å; V68-L88 HydrophobicContact CB-CD1 4.41Å; V68-L88 HydrophobicContact CG1-CD1 4.35Å; V68-L88 HydrophobicContact CG2-CD1 3.56Å; L88-L95 HydrophobicContact CD2-CB 4.37Å; L88-L95 HydrophobicContact CD2-CD1 4.17Å; L88-L95 HydrophobicContact CG-CB 4.35Å; L88-L95 HydrophobicContact CG-CD1 4.29Å; L88-L95 PolarHBondContact O-N 3.48Å; L88-L96 HydrophobicContact CB-CB 3.87Å; L88-L96 HydrophobicContact CB-CD1 4.09Å; L88-L96 HydrophobicContact CB-CG 4.19Å; L88-L96 HydrophobicContact CD2-CD1 4.33Å; L88-L96 PolarHBondContact N-O 3.5Å; L88-L96 PolarHBondContact O-N 3.49Å; L88-L96 VanDerWaalsContact O-N 3.1Å; L88-M148 HydrophobicContact CD2-CB 4.38Å; L88-L149 HydrophobicContact CD2-CB 4.31Å; L88-A152 HydrophobicContact CD1-CB 4.34Å
89	T	83.5	Confident	85.7	Confident	44 Å²	44	38.7 Å²	38.7	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.4	175.7	63	0	0	0	0	110	R66 A67 Q93 E94	R66-T89 WeakPolarHBondContact CA-O 3.41Å; R66-T89 WeakPolarHBondContact CG-O 3.33Å; A67-T89 WeakPolarHBondContact CB-OG1 3.17Å; A67-T89 PolarHBondContact N-O 3.03Å; A67-T89 PolarHBondContact O-N 3.43Å; A67-T89 PolarHBondContact O-OG1 3.13Å; T89-Q93 CarbonylContact C-O 3.53Å; T89-Q93 VanDerWaalsContact CA-O 3.24Å; T89-Q93 WeakPolarHBondContact CA-O 3.46Å; T89-E94 HydrophobicContact CG2-CB 4.31Å; T89-E94 HydrophobicContact CG2-CG 4.39Å
90	F	76.3	Confident	86.1	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.3	178.8	-173.8	-110.9	0	0	0	109.5	K62 A65 R66 G92 Q93 L95 F141 V144 M148	K62-F90 HydrophobicContact CB-CE2 4.32Å; K62-F90 HydrophobicContact CG-CZ 4.37Å; A65-F90 HydrophobicContact CB-CD2 4.36Å; A65-F90 HydrophobicContact CB-CE2 3.97Å; R66-F90 HydrophobicContact CB-CD2 4.02Å; R66-F90 HydrophobicContact CG-CD2 4.36Å; F90-G92 PolarHBondContact O-N 2.64Å; F90-Q93 PolarHBondContact N-O 3.03Å; F90-Q93 WeakPolarHBondContact O-CB 3.44Å; F90-Q93 PolarHBondContact O-N 2.92Å; F90-L95 HydrophobicContact CB-CD1 3.66Å; F90-L95 HydrophobicContact CB-CG 4.3Å; F90-F141 HydrophobicContact CD1-CZ 4.4Å; F90-F141 HydrophobicContact CE1-CZ 4.15Å; F90-V144 HydrophobicContact CD1-CG1 3.84Å; F90-V144 HydrophobicContact CE1-CG1 4.35Å; F90-M148 HydrophobicContact CD1-CE 4.23Å; F90-M148 HydrophobicContact CD2-CE 4.46Å; F90-M148 HydrophobicContact CD2-SD 4.2Å; F90-M148 HydrophobicContact CE1-CE 3.63Å; F90-M148 HydrophobicContact CE2-CE 3.92Å; F90-M148 HydrophobicContact CE2-SD 3.99Å; F90-M148 HydrophobicContact CZ-CE 3.47Å; F90-M148 VanDerWaalsContact CZ-CE 3.47Å; F90-M148 HydrophobicContact CZ-SD 4.18Å
91	H	70.9	Confident	86.2	Confident	110 Å²	110	35 Å²	35	51%	0.509	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	41.3	-173.3	-71.9	-66.2	0	0	0	113.8	A65 Q93	A65-H91 WeakPolarHBondContact CB-CE1 3.5Å; A65-H91 WeakPolarHBondContact CB-ND1 3.25Å; A65-H91 PolarHBondContact O-N 3.3Å; H91-Q93 PolarHBondContact O-N 3.47Å
92	G	69.3	Low	86.3	Confident	83 Å²	83	38.6 Å²	38.6	86%	0.856	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	5.3	-179.4	0	0	0	0	0	114.7	F90	F90-G92 PolarHBondContact O-N 2.64Å
93	Q	72.3	Confident	86.3	Confident	34 Å²	34	35.8 Å²	35.8	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.7	173.4	-170.2	179.1	-2.8	0	0	111.3	T89 F90 H91 L95 G118	T89-Q93 CarbonylContact C-O 3.53Å; T89-Q93 VanDerWaalsContact CA-O 3.24Å; T89-Q93 WeakPolarHBondContact CA-O 3.46Å; F90-Q93 PolarHBondContact N-O 3.03Å; F90-Q93 WeakPolarHBondContact O-CB 3.44Å; F90-Q93 PolarHBondContact O-N 2.92Å; H91-Q93 PolarHBondContact O-N 3.47Å; Q93-L95 PolarHBondContact O-N 2.9Å; Q93-G118 VanDerWaalsContact CD-O 3.27Å; Q93-G118 PolarHBondContact NE2-O 3.31Å; Q93-G118 PolarHBondContact OE1-O 2.88Å; Q93-G118 VanDerWaalsContact OE1-O 3.12Å
94	E	78.6	Confident	86.3	Confident	72 Å²	72	38.4 Å²	38.4	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.3	175.8	-168.7	-178	-136.9	0	0	111.2	T89 L96 A97 R323	T89-E94 HydrophobicContact CG2-CB 4.31Å; T89-E94 HydrophobicContact CG2-CG 4.39Å; E94-L96 WeakPolarHBondContact CG-O 3.47Å; E94-A97 VanDerWaalsContact CD-CB 3.48Å; E94-A97 HydrophobicContact CG-CB 4.12Å; E94-A97 VanDerWaalsContact OE1-CB 3.24Å; E94-A97 WeakPolarHBondContact OE1-CB 3.36Å; E94-R323 PolarHBondContact O-NE 3.46Å; E94-R323 IonicContact OE2-CZ 2.65Å; E94-R323 IonicContact OE2-NH1 3.87Å; E94-R323 PolarHBondContact OE2-NH1 3.45Å
95	L	82.3	Confident	86.3	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-39.9	178.2	-60	177.1	0	0	0	111.4	L88 F90 Q93 V144 M148 R323	L88-L95 HydrophobicContact CD2-CB 4.37Å; L88-L95 HydrophobicContact CD2-CD1 4.17Å; L88-L95 HydrophobicContact CG-CB 4.35Å; L88-L95 HydrophobicContact CG-CD1 4.29Å; L88-L95 PolarHBondContact O-N 3.48Å; F90-L95 HydrophobicContact CB-CD1 3.66Å; F90-L95 HydrophobicContact CB-CG 4.3Å; Q93-L95 PolarHBondContact O-N 2.9Å; L95-V144 HydrophobicContact CD1-CG1 4.15Å; L95-V144 VanDerWaalsContact CD1-O 3.28Å; L95-V144 WeakPolarHBondContact CD1-O 3.39Å; L95-V144 HydrophobicContact CD2-CG1 4.06Å; L95-M148 HydrophobicContact CD1-CB 4.2Å; L95-M148 HydrophobicContact CD1-CG 4.41Å; L95-R323 WeakPolarHBondContact O-CA 3.44Å; L95-R323 WeakPolarHBondContact O-CB 3.07Å
96	L	87.1	Confident	86.2	Confident	4 Å²	4	37 Å²	37	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.8	172.7	-67	172.9	0	0	0	109.9	L86 S87 L88 E94 T99 L149 L320 R323 L325	L86-L96 HydrophobicContact CD2-CD1 4.08Å; S87-L96 VanDerWaalsContact CA-O 3.3Å; S87-L96 WeakPolarHBondContact CA-O 3.48Å; L88-L96 HydrophobicContact CB-CB 3.87Å; L88-L96 HydrophobicContact CB-CD1 4.09Å; L88-L96 HydrophobicContact CB-CG 4.19Å; L88-L96 HydrophobicContact CD2-CD1 4.33Å; L88-L96 PolarHBondContact N-O 3.5Å; L88-L96 PolarHBondContact O-N 3.49Å; L88-L96 VanDerWaalsContact O-N 3.1Å; E94-L96 WeakPolarHBondContact CG-O 3.47Å; L96-T99 HydrophobicContact CB-CG2 4.29Å; L96-T99 HydrophobicContact CD1-CG2 4.35Å; L96-T99 HydrophobicContact CD2-CG2 4.22Å; L96-L149 HydrophobicContact CD1-CD1 3.81Å; L96-L149 HydrophobicContact CD1-CD2 4.2Å; L96-L149 HydrophobicContact CD1-CG 4.47Å; L96-L320 HydrophobicContact CD2-CD1 3.26Å; L96-L320 HydrophobicContact CG-CD1 4.35Å; L96-R323 VanDerWaalsContact CA-O 3.31Å; L96-R323 WeakPolarHBondContact CA-O 3.46Å; L96-L325 HydrophobicContact CD1-CD1 4.39Å; L96-L325 HydrophobicContact CD2-CD2 4.01Å; L96-L325 HydrophobicContact CD2-CG 4.04Å
97	A	88.6	Confident	86.4	Confident	22 Å²	22	42.6 Å²	42.6	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	112.5	-178.3	0	0	0	0	0	110.3	E94 T99 R323	E94-A97 VanDerWaalsContact CD-CB 3.48Å; E94-A97 HydrophobicContact CG-CB 4.12Å; E94-A97 VanDerWaalsContact OE1-CB 3.24Å; E94-A97 WeakPolarHBondContact OE1-CB 3.36Å; A97-T99 PolarHBondContact O-N 2.72Å; A97-R323 HydrophobicContact CB-CB 4.23Å; A97-R323 PolarHBondContact N-O 3.31Å
98	D	89.4	Confident	86.7	Confident	105 Å²	105	43.6 Å²	43.6	56%	0.561	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	43.3	60.3	173.2	-167.5	33.8	0	0	0	113.4	S85 L86 S87	S85-D98 VanDerWaalsContact CA-OD1 3.26Å; S85-D98 WeakPolarHBondContact CA-OD1 3.11Å; S85-D98 VanDerWaalsContact CB-OD1 3.22Å; S85-D98 WeakPolarHBondContact CB-OD1 3.38Å; S85-D98 PolarHBondContact OG-OD1 2.83Å; L86-D98 PolarHBondContact O-N 3.45Å; S87-D98 PolarHBondContact OG-N 3.39Å
99	T	92.3	Very high	87.1	Confident	10 Å²	10	43.8 Å²	43.8	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	157.8	180	-166	0	0	0	0	111	S85 L86 L96 A97 L325	S85-T99 PolarHBondContact N-O 3.31Å; L86-T99 WeakPolarHBondContact CA-O 3.36Å; L86-T99 HydrophobicContact CB-CG2 4.03Å; L86-T99 VanDerWaalsContact CB-O 3.24Å; L86-T99 WeakPolarHBondContact CB-O 3.31Å; L86-T99 HydrophobicContact CD2-CG2 4.33Å; L86-T99 HydrophobicContact CG-CG2 4.44Å; L86-T99 PolarHBondContact N-O 2.81Å; L86-T99 PolarHBondContact O-N 3.3Å; L96-T99 HydrophobicContact CB-CG2 4.29Å; L96-T99 HydrophobicContact CD1-CG2 4.35Å; L96-T99 HydrophobicContact CD2-CG2 4.22Å; A97-T99 PolarHBondContact O-N 2.72Å; T99-L325 HydrophobicContact CG2-CB 4.46Å; T99-L325 HydrophobicContact CG2-CD1 3.96Å; T99-L325 HydrophobicContact CG2-CG 3.96Å; T99-L325 PolarHBondContact OG1-N 2.84Å
100	S	92.9	Very high	87.6	Confident	42 Å²	42	41.7 Å²	41.7	29%	0.294	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.6	165.7	57.1	0	0	0	0	111	I83	I83-S100 CarbonylContact O-C 3.52Å; I83-S100 VanDerWaalsContact O-CA 3.26Å; I83-S100 WeakPolarHBondContact O-CA 3.38Å
101	L	94.4	Very high	88.3	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.2	167.7	174.3	61.2	0	0	0	108.8	H82 I83 L86 L103 I153 I158 L325 Y327	H82-L101 CarbonylContact C-O 3.59Å; H82-L101 WeakPolarHBondContact CA-O 3.21Å; I83-L101 HydrophobicContact CB-CB 4.31Å; I83-L101 HydrophobicContact CD1-CB 4.26Å; I83-L101 HydrophobicContact CD1-CD2 3.85Å; I83-L101 HydrophobicContact CD1-CG 4.17Å; I83-L101 PolarHBondContact N-O 3.25Å; I83-L101 PolarHBondContact O-N 2.9Å; L86-L101 HydrophobicContact CD2-CB 3.84Å; L86-L101 HydrophobicContact CD2-CD2 4.1Å; L101-L103 HydrophobicContact CD1-CD1 4.21Å; L101-L103 HydrophobicContact CD1-CD2 4.01Å; L101-L103 HydrophobicContact CD1-CG 3.92Å; L101-L103 HydrophobicContact CD2-CD1 4.4Å; L101-L103 HydrophobicContact CG-CD1 4.34Å; L101-L103 HydrophobicContact CG-CG 4.23Å; L101-I153 HydrophobicContact CD2-CD1 3.88Å; L101-I153 HydrophobicContact CD2-CG1 4.17Å; L101-I158 HydrophobicContact CD2-CD1 4.36Å; L101-L325 HydrophobicContact CB-CD1 4.36Å; L101-L325 HydrophobicContact CD1-CD1 4.14Å; L101-Y327 VanDerWaalsContact CA-OH 3.31Å; L101-Y327 WeakPolarHBondContact CA-OH 3.23Å; L101-Y327 WeakPolarHBondContact CD1-OH 3.45Å
102	E	94.1	Very high	89	Confident	77 Å²	77	36.6 Å²	36.6	36%	0.36	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.8	178.4	-75.7	168.3	-144	0	0	110.2	H82 Y327	H82-E102 IonicContact CE1-OE1 2.85Å; H82-E102 PolarHBondContact CE1-OE1 3.23Å; H82-E102 WeakPolarHBondContact ND1-CG 3.31Å; H82-E102 IonicContact ND1-OE1 3.32Å; E102-Y327 HydrophobicContact CB-CE1 4.3Å; E102-Y327 PolarHBondContact N-OH 3.5Å; E102-Y327 VanDerWaalsContact O-CE1 3.27Å; E102-Y327 WeakPolarHBondContact O-CE1 3.41Å; E102-Y327 PolarHBondContact O-OH 2.93Å
103	L	95	Very high	89.3	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	107.8	176.5	-57	173.5	0	0	0	108.8	V81 L101 Y109 I153 M271 I299 V301 I318	V81-L103 HydrophobicContact CB-CB 4.31Å; V81-L103 PolarHBondContact N-O 2.93Å; V81-L103 PolarHBondContact O-N 3.48Å; L101-L103 HydrophobicContact CD1-CD1 4.21Å; L101-L103 HydrophobicContact CD1-CD2 4.01Å; L101-L103 HydrophobicContact CD1-CG 3.92Å; L101-L103 HydrophobicContact CD2-CD1 4.4Å; L101-L103 HydrophobicContact CG-CD1 4.34Å; L101-L103 HydrophobicContact CG-CG 4.23Å; L103-Y109 HydrophobicContact CB-CE2 4.26Å; L103-Y109 HydrophobicContact CD2-CD2 3.75Å; L103-Y109 HydrophobicContact CD2-CE2 3.87Å; L103-Y109 HydrophobicContact CD2-CG 4.09Å; L103-I153 HydrophobicContact CD1-CD1 4.5Å; L103-M271 HydrophobicContact CD1-CE 3.96Å; L103-M271 HydrophobicContact CD1-SD 4.35Å; L103-I299 HydrophobicContact CB-CD1 4.36Å; L103-I299 HydrophobicContact CB-CG2 4.11Å; L103-V301 HydrophobicContact CD1-CG2 4.23Å; L103-V301 HydrophobicContact CD2-CG2 3.9Å; L103-I318 HydrophobicContact CD2-CD1 4.04Å
104	N	93.3	Very high	89	Confident	56 Å²	56	34 Å²	34	30%	0.299	18%	0.184	S	C	.	.			trans	-96.9	144	-179.3	-57.5	79.6	0	0	0	111	D80 R107 Y109	D80-N104 VanDerWaalsContact OD1-CA 3.24Å; D80-N104 WeakPolarHBondContact OD1-CA 3.37Å; D80-N104 PolarHBondContact OD2-ND2 3.48Å; N104-R107 HydrophobicContact CB-CG 3.88Å; N104-R107 WeakPolarHBondContact O-CB 3.43Å; N104-R107 PolarHBondContact O-N 3.43Å; N104-Y109 PolarHBondContact N-OH 2.98Å; N104-Y109 PolarHBondContact OD1-OH 3.5Å
105	S	91.7	Very high	87.9	Confident	40 Å²	40	32.3 Å²	32.3	28%	0.28	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	141.2	174.7	-168.6	0	0	0	0	111.1	D80 R107	D80-S105 PolarHBondContact OD1-N 3.42Å; S105-R107 VanDerWaalsContact C-N 3.26Å; S105-R107 PolarHBondContact O-N 3.01Å
106	G	89.6	Confident	86.4	Confident	28 Å²	28	32.6 Å²	32.6	29%	0.289	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1.5	-175.6	0	0	0	0	0	115.8	K297 R298	G106-K297 WeakPolarHBondContact CA-O 3.49Å; G106-K297 PolarHBondContact N-O 2.91Å; G106-R298 PolarHBondContact N-O 3.2Å
107	R	95	Very high	84.1	Confident	116 Å²	116	34.8 Å²	34.8	44%	0.438	20%	0.196	S	C	.	.			trans	-96.6	147.3	175.4	-58.7	-60.4	-175.9	162.5	-3.5	111.8	N104 S105 Y109 L300	N104-R107 HydrophobicContact CB-CG 3.88Å; N104-R107 WeakPolarHBondContact O-CB 3.43Å; N104-R107 PolarHBondContact O-N 3.43Å; S105-R107 VanDerWaalsContact C-N 3.26Å; S105-R107 PolarHBondContact O-N 3.01Å; R107-Y109 HydrophobicContact CB-CD2 4.16Å; R107-Y109 HydrophobicContact CB-CE1 4.38Å; R107-Y109 HydrophobicContact CB-CE2 3.4Å; R107-Y109 HydrophobicContact CG-CE2 4.42Å; R107-L300 PolarHBondContact O-N 2.98Å
108	R	96.4	Very high	81.5	Confident	46 Å²	46	33.9 Å²	33.9	17%	0.174	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.5	178	-60.7	177.5	-68.6	-80	0.5	108.2	L293 K294 F296 L300 V313 C314 T315 N316	R108-L293 VanDerWaalsContact CD-O 3.26Å; R108-L293 WeakPolarHBondContact CD-O 3.49Å; R108-K294 PolarHBondContact NH1-O 3.46Å; R108-F296 PolarHBondContact NH1-O 3Å; R108-L300 CarbonylContact C-O 3.49Å; R108-L300 WeakPolarHBondContact CA-O 3.33Å; R108-L300 HydrophobicContact CB-CB 4.25Å; R108-L300 HydrophobicContact CB-CD2 4.23Å; R108-L300 HydrophobicContact CG-CB 3.95Å; R108-L300 HydrophobicContact CG-CD2 4.02Å; R108-V313 WeakPolarHBondContact CD-O 3.34Å; R108-V313 PolarHBondContact NE-O 3.44Å; R108-C314 WeakPolarHBondContact O-CA 3.24Å; R108-T315 HydrophobicContact CB-CG2 4.49Å; R108-T315 PolarHBondContact N-OG1 3.5Å; R108-T315 PolarHBondContact O-N 3.48Å; R108-T315 PolarHBondContact O-OG1 2.83Å; R108-N316 PolarHBondContact O-N 2.8Å; R108-N316 VanDerWaalsContact O-N 3.12Å
109	Y	95.9	Very high	78.8	Confident	5 Å²	5	32.9 Å²	32.9	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.5	-172.4	-63.6	-84.8	0	0	0	110.9	L103 N104 R107 L300 V301 L302 N316 I318 Y327	L103-Y109 HydrophobicContact CB-CE2 4.26Å; L103-Y109 HydrophobicContact CD2-CD2 3.75Å; L103-Y109 HydrophobicContact CD2-CE2 3.87Å; L103-Y109 HydrophobicContact CD2-CG 4.09Å; N104-Y109 PolarHBondContact N-OH 2.98Å; N104-Y109 PolarHBondContact OD1-OH 3.5Å; R107-Y109 HydrophobicContact CB-CD2 4.16Å; R107-Y109 HydrophobicContact CB-CE1 4.38Å; R107-Y109 HydrophobicContact CB-CE2 3.4Å; R107-Y109 HydrophobicContact CG-CE2 4.42Å; Y109-L300 PolarHBondContact N-O 3.21Å; Y109-V301 HydrophobicContact CD2-CG2 4.49Å; Y109-V301 WeakPolarHBondContact O-CA 3.41Å; Y109-L302 PolarHBondContact O-N 3.18Å; Y109-N316 CarbonylContact C-O 3.07Å; Y109-N316 WeakPolarHBondContact CA-O 3.21Å; Y109-N316 HydrophobicContact CD1-CB 3.6Å; Y109-N316 HydrophobicContact CE1-CB 3.74Å; Y109-I318 HydrophobicContact CD1-CD1 3.69Å; Y109-I318 HydrophobicContact CD1-CG1 3.76Å; Y109-I318 HydrophobicContact CE1-CD1 4.5Å; Y109-I318 HydrophobicContact CG-CD1 3.93Å; Y109-I318 HydrophobicContact CG-CG1 4.33Å; Y109-Y327 HydrophobicContact CE1-CD1 4.44Å; Y109-Y327 HydrophobicContact CE1-CE1 4.35Å
110	G	94.3	Very high	75.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.7	166.3	0	0	0	0	0	110.4	L302 C314 N316 I317 I318	G110-L302 CarbonylContact C-O 3.59Å; G110-L302 WeakPolarHBondContact CA-O 3.5Å; G110-C314 VanDerWaalsContact CA-SG 3.5Å; G110-C314 PolarHBondContact N-SG 3.48Å; G110-C314 VanDerWaalsContact N-SG 3.45Å; G110-N316 PolarHBondContact N-O 3.25Å; G110-I317 CarbonylContact O-C 3.58Å; G110-I317 WeakPolarHBondContact O-CA 3.47Å; G110-I318 PolarHBondContact O-N 3.28Å
111	L	90.8	Very high	73	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.7	176.4	-179.2	66	0	0	0	110.2	K146 L149 L150 L302 I303 I318 L325	L111-K146 HydrophobicContact CD2-CB 3.9Å; L111-K146 HydrophobicContact CD2-CG 4.33Å; L111-K146 HydrophobicContact CG-CB 4.33Å; L111-K146 HydrophobicContact CG-CG 4.27Å; L111-L149 HydrophobicContact CD1-CD2 4.48Å; L111-L149 HydrophobicContact CD2-CD2 4.17Å; L111-L150 HydrophobicContact CD2-CD1 3.48Å; L111-L150 VanDerWaalsContact CD2-CD1 3.48Å; L111-L302 PolarHBondContact N-O 3.42Å; L111-I303 HydrophobicContact CB-CG1 4.09Å; L111-I303 HydrophobicContact CD2-CD1 4.27Å; L111-I303 HydrophobicContact CD2-CG1 4.08Å; L111-I303 HydrophobicContact CG-CG1 4.43Å; L111-I318 WeakPolarHBondContact CA-O 3.48Å; L111-I318 HydrophobicContact CD1-CB 3.88Å; L111-I318 HydrophobicContact CD1-CG2 3.72Å; L111-L325 HydrophobicContact CD1-CD2 4.45Å
112	I	86.1	Confident	70.1	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.7	-177.6	65	169.3	0	0	0	111.9	L310 I317 I318 H319 L320 Y332 Y335	I112-L310 HydrophobicContact CG2-CD1 3.88Å; I112-I317 HydrophobicContact CD1-CG2 3.34Å; I112-I317 HydrophobicContact CG1-CG2 3.6Å; I112-I317 HydrophobicContact CG2-CG2 4.43Å; I112-I318 PolarHBondContact N-O 3.48Å; I112-H319 HydrophobicContact CD1-CB 4.39Å; I112-H319 HydrophobicContact CG1-CB 4.16Å; I112-L320 PolarHBondContact O-N 3.48Å; I112-Y332 HydrophobicContact CD1-CD2 4.46Å; I112-Y332 HydrophobicContact CD1-CE2 4.05Å; I112-Y332 HydrophobicContact CG2-CE2 4.39Å; I112-Y335 HydrophobicContact CD1-CD1 3.76Å; I112-Y335 HydrophobicContact CD1-CD2 4.44Å; I112-Y335 HydrophobicContact CD1-CE1 3.21Å; I112-Y335 HydrophobicContact CD1-CE2 3.94Å; I112-Y335 HydrophobicContact CD1-CG 4.34Å; I112-Y335 WeakPolarHBondContact CD1-OH 3.24Å
113	G	76.2	Confident	66.9	Low	14 Å²	14	52.3 Å²	52.3	14%	0.144	28%	0.282	C	S	.	.			trans	162.1	154.9	177.8	0	0	0	0	0	110.9	K146	G113-K146 WeakPolarHBondContact O-CE 3.29Å; G113-K146 PolarHBondContact O-NZ 3.4Å
114	L	64.5	Low	63.6	Low	50 Å²	50	58.5 Å²	58.5	26%	0.262	32%	0.32	S	S	.	.			trans	-58.3	138.7	-179.6	-60.8	163.7	0	0	0	110.9	G116 T117 E572	L114-G116 PolarHBondContact O-N 3.41Å; L114-T117 HydrophobicContact CB-CG2 3.69Å; L114-T117 HydrophobicContact CD1-CG2 4.46Å; L114-T117 HydrophobicContact CG-CG2 4.42Å; L114-T117 WeakPolarHBondContact O-CG2 3.34Å; L114-T117 PolarHBondContact O-N 3.02Å; L114-T117 PolarHBondContact O-OG1 2.9Å; L114-E572 WeakPolarHBondContact CD2-OE1 3.32Å; L114-E572 VanDerWaalsContact CD2-OE2 3.31Å; L114-E572 WeakPolarHBondContact CD2-OE2 3.5Å
115	N	57.1	Low	60.4	Low	36 Å²	36	61.8 Å²	61.8	19%	0.193	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	120.5	169.8	-74.5	-13.5	0	0	0	109.6	A142 K146 H305 D570	N115-A142 VanDerWaalsContact CB-O 3.24Å; N115-A142 WeakPolarHBondContact CB-O 3.44Å; N115-K146 WeakPolarHBondContact OD1-CE 3.33Å; N115-K146 PolarHBondContact OD1-NZ 3.46Å; N115-H305 PolarHBondContact ND2-CE1 3.34Å; N115-H305 PolarHBondContact ND2-NE2 3.4Å; N115-H305 PolarHBondContact OD1-CE1 3.47Å; N115-D570 WeakPolarHBondContact CB-OD1 3.43Å; N115-D570 WeakPolarHBondContact CB-OD2 3.46Å; N115-D570 PolarHBondContact N-OD1 3.47Å; N115-D570 PolarHBondContact ND2-OD1 3.08Å; N115-D570 PolarHBondContact OD1-OD1 3.12Å
116	G	49.4	Very low	57.4	Low	15 Å²	15	65.8 Å²	65.8	16%	0.155	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	25.6	-176.2	0	0	0	0	0	115.8	L114 G118 N119	L114-G116 PolarHBondContact O-N 3.41Å; G116-G118 CarbonylContact O-C 3.59Å; G116-G118 PolarHBondContact O-N 2.87Å; G116-N119 WeakPolarHBondContact O-CB 3.4Å; G116-N119 PolarHBondContact O-N 2.87Å
117	T	39.1	Very low	54.4	Low	50 Å²	50	70 Å²	70	31%	0.307	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-13.5	163.8	42.7	0	0	0	0	113.7	L114	L114-T117 HydrophobicContact CB-CG2 3.69Å; L114-T117 HydrophobicContact CD1-CG2 4.46Å; L114-T117 HydrophobicContact CG-CG2 4.42Å; L114-T117 WeakPolarHBondContact O-CG2 3.34Å; L114-T117 PolarHBondContact O-N 3.02Å; L114-T117 PolarHBondContact O-OG1 2.9Å
118	G	34.7	Very low	51.1	Low	4 Å²	4	72 Å²	72	4%	0.041	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	49.6	161.1	0	0	0	0	0	113.5	Q93 G116	Q93-G118 VanDerWaalsContact CD-O 3.27Å; Q93-G118 PolarHBondContact NE2-O 3.31Å; Q93-G118 PolarHBondContact OE1-O 2.88Å; Q93-G118 VanDerWaalsContact OE1-O 3.12Å; G116-G118 CarbonylContact O-C 3.59Å; G116-G118 PolarHBondContact O-N 2.87Å
119	N	32.1	Very low	48	Very low	83 Å²	83	80.4 Å²	80.4	44%	0.444	45%	0.45	S	S	.	.			trans	-110.7	77.2	167	-93.9	-39	0	0	0	111.2	G116	G116-N119 WeakPolarHBondContact O-CB 3.4Å; G116-N119 PolarHBondContact O-N 2.87Å
120	C	29.5	Very low	44.8	Very low	71 Å²	71	83.3 Å²	83.3	48%	0.48	48%	0.475	S	S	.	.			trans	-100	63.8	147.6	-85.8	0	0	0	0	108.9	A122 R323	C120-A122 PolarHBondContact O-N 2.87Å; C120-R323 PolarHBondContact SG-NH2 3.35Å
121	L	34.7	Very low	41.7	Very low	147 Å²	147	92 Å²	92	77%	0.77	51%	0.513	S	S	*	.			trans	-72.8	65.9	158.6	-107.8	157.9	0	0	0	108.8
122	A	32.5	Very low	39.2	Very low	74 Å²	74	97.3 Å²	97.3	61%	0.612	55%	0.55	S	S	*	.			trans	-159.3	53.7	176.6	0	0	0	0	0	112.2	C120	C120-A122 PolarHBondContact O-N 2.87Å
123	R	26.5	Very low	36.5	Very low	248 Å²	248	106.6 Å²	106.6	94%	0.936	59%	0.59	S	S	*	*	S	Bend	trans	-168.7	16	149.2	-115.9	172.3	159.1	165.8	-5.3	120.7
124	T	26.3	Very low	34.3	Very low	134 Å²	134	112.5 Å²	112.5	82%	0.822	61%	0.614	S	S	*	*			trans	-126.8	66.7	174.2	-29.8	0	0	0	0	112.2
125	S	26.2	Very low	32.7	Very low	124 Å²	124	116.9 Å²	116.9	87%	0.867	64%	0.637	S	S	*	*			trans	-99	55	161.5	-61.6	0	0	0	0	110
126	V	28.2	Very low	31.5	Very low	125 Å²	125	119.1 Å²	119.1	76%	0.758	65%	0.652	S	S	*	*	S	Bend	trans	-147.3	121.2	163.9	-178.1	0	0	0	0	109.5
127	C	27.8	Very low	30.5	Very low	115 Å²	115	121.4 Å²	121.4	78%	0.777	66%	0.659	S	S	*	*			trans	77.1	91.3	161	-137.5	0	0	0	0	118.9
128	L	25.5	Very low	30.2	Very low	160 Å²	160	125.2 Å²	125.2	84%	0.838	68%	0.677	S	S	*	*				-165.1	84.4	127.1	-101.7	146.8	0	0	0	109.2	A130	L128-A130 HydrophobicContact CD2-CB 4.18Å; L128-A130 PolarHBondContact O-N 3.44Å
129	K	30.8	Very low	30.3	Very low	222 Å²	222	133.3 Å²	133.3	97%	0.965	71%	0.706	S	S	*	*			trans	-74.8	92.4	155.4	-90.4	-179.9	173.5	175.6	0	106.8
130	A	29.5	Very low	30.3	Very low	66 Å²	66	136.2 Å²	136.2	55%	0.545	72%	0.715	S	S	.	*			trans	-150.2	108.3	165.2	0	0	0	0	0	111.4	L128	L128-A130 HydrophobicContact CD2-CB 4.18Å; L128-A130 PolarHBondContact O-N 3.44Å
131	K	28.2	Very low	30.7	Very low	182 Å²	182	136.1 Å²	136.1	79%	0.791	71%	0.706	S	S	*	*			trans	47.8	99.3	150.9	-63.7	-177.9	178.4	179.4	0	118.4	K133	K131-K133 PolarHBondContact O-N 3.11Å
132	S	37.5	Very low	30.8	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	8.6	105.4	132.9	49.9	0	0	0	0	117.1
133	K	29.9	Very low	31.3	Very low	205 Å²	205	129 Å²	129	89%	0.891	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	132.7	-9.9	167	-79.3	-175.6	176.7	-175.3	0	113.3	K131	K131-K133 PolarHBondContact O-N 3.11Å
134	Q	30.7	Very low	32.8	Very low	138 Å²	138	117.4 Å²	117.4	65%	0.645	62%	0.618	S	S	*	*			trans	-90.7	5	-179.9	-140.1	127.7	0.9	0	0	115.3	M137	Q134-M137 WeakPolarHBondContact O-CB 3.47Å
135	L	30.8	Very low	34.6	Very low	142 Å²	142	111.3 Å²	111.3	74%	0.743	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	5.1	-172.1	-144.5	80.9	0	0	0	114.6	M137	L135-M137 VanDerWaalsContact C-N 3.28Å
136	V	30.6	Very low	37	Very low	84 Å²	84	105.8 Å²	105.8	51%	0.509	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.3	171.4	175.3	0	0	0	0	111	L138 R139	V136-L138 VanDerWaalsContact C-N 3.34Å; V136-L138 PolarHBondContact O-N 3.32Å; V136-R139 WeakPolarHBondContact O-CD 3.25Å; V136-R139 WeakPolarHBondContact O-CG 3.46Å
137	M	28.8	Very low	39.4	Very low	63 Å²	63	100.6 Å²	100.6	31%	0.31	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.6	-166.1	-145.1	175.8	162.5	0	0	114.7	R61 Q134 L135	R61-M137 HydrophobicContact CB-CE 3.79Å; R61-M137 VanDerWaalsContact CD-CE 3.43Å; R61-M137 HydrophobicContact CG-CE 4.14Å; Q134-M137 WeakPolarHBondContact O-CB 3.47Å; L135-M137 VanDerWaalsContact C-N 3.28Å
138	L	32.8	Very low	41.9	Very low	129 Å²	129	96 Å²	96	68%	0.675	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	25.2	179.3	-113.2	108.6	0	0	0	113.5	V136 F140	V136-L138 VanDerWaalsContact C-N 3.34Å; V136-L138 PolarHBondContact O-N 3.32Å; L138-F140 PolarHBondContact O-N 3.28Å
139	R	37.1	Very low	44.8	Very low	174 Å²	174	88.6 Å²	88.6	66%	0.657	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	4.3	-162.2	-87	-177.1	178.9	-172	1	118.3	V136	V136-R139 WeakPolarHBondContact O-CD 3.25Å; V136-R139 WeakPolarHBondContact O-CG 3.46Å
140	F	33.1	Very low	47.5	Very low	144 Å²	144	78 Å²	78	63%	0.632	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.5	38.4	-177.1	-90.4	-84.5	0	0	0	114.5	L138 A142	L138-F140 PolarHBondContact O-N 3.28Å; F140-A142 PolarHBondContact O-N 3.33Å
141	F	37.6	Very low	50.2	Low	69 Å²	69	75.4 Å²	75.4	30%	0.303	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	22.4	-173.9	-103.5	-95.5	0	0	0	115.9	F90 V144	F90-F141 HydrophobicContact CD1-CZ 4.4Å; F90-F141 HydrophobicContact CE1-CZ 4.15Å; F141-V144 HydrophobicContact CB-CG2 4.22Å; F141-V144 HydrophobicContact CD1-CG2 3.55Å; F141-V144 HydrophobicContact CE1-CG1 4.19Å; F141-V144 HydrophobicContact CE1-CG2 3.99Å; F141-V144 HydrophobicContact CG-CG2 3.93Å
142	A	35.3	Very low	53	Low	16 Å²	16	66.8 Å²	66.8	13%	0.132	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-22.9	-178.4	0	0	0	0	0	115	N115 F140	N115-A142 VanDerWaalsContact CB-O 3.24Å; N115-A142 WeakPolarHBondContact CB-O 3.44Å; F140-A142 PolarHBondContact O-N 3.33Å
143	L	44.1	Very low	55.5	Low	56 Å²	56	61.5 Å²	61.5	29%	0.293	30%	0.297	S	S	.	.	S	Bend	trans	-119.9	14.1	-168	-81.2	156.5	0	0	0	114.1	G145 K146 S147	L143-G145 VanDerWaalsContact C-N 3.33Å; L143-G145 PolarHBondContact O-N 2.71Å; L143-K146 PolarHBondContact O-N 3.21Å; L143-S147 PolarHBondContact O-N 2.81Å
144	V	58.2	Low	58.2	Low	5 Å²	5	52.8 Å²	52.8	3%	0.03	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.7	-155.2	-173.4	0	0	0	0	115.9	F90 L95 F141 M148	F90-V144 HydrophobicContact CD1-CG1 3.84Å; F90-V144 HydrophobicContact CE1-CG1 4.35Å; L95-V144 HydrophobicContact CD1-CG1 4.15Å; L95-V144 VanDerWaalsContact CD1-O 3.28Å; L95-V144 WeakPolarHBondContact CD1-O 3.39Å; L95-V144 HydrophobicContact CD2-CG1 4.06Å; F141-V144 HydrophobicContact CB-CG2 4.22Å; F141-V144 HydrophobicContact CD1-CG2 3.55Å; F141-V144 HydrophobicContact CE1-CG1 4.19Å; F141-V144 HydrophobicContact CE1-CG2 3.99Å; F141-V144 HydrophobicContact CG-CG2 3.93Å; V144-M148 HydrophobicContact CG1-CG 4.34Å; V144-M148 WeakPolarHBondContact O-CB 3.39Å; V144-M148 WeakPolarHBondContact O-CG 3.18Å
145	G	63.3	Low	60.9	Low	6 Å²	6	50.3 Å²	50.3	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-57.3	178.1	0	0	0	0	0	113.2	L143 L149	L143-G145 VanDerWaalsContact C-N 3.33Å; L143-G145 PolarHBondContact O-N 2.71Å; G145-L149 PolarHBondContact O-N 3.42Å; G145-L149 VanDerWaalsContact O-N 3.09Å
146	K	78.1	Confident	63.6	Low	8 Å²	8	48.2 Å²	48.2	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-54.7	-169.5	-60.2	173.4	-68.9	-172.4	0	111.5	L111 G113 N115 L143 M148 L149 L150 I303 H305 L320	L111-K146 HydrophobicContact CD2-CB 3.9Å; L111-K146 HydrophobicContact CD2-CG 4.33Å; L111-K146 HydrophobicContact CG-CB 4.33Å; L111-K146 HydrophobicContact CG-CG 4.27Å; G113-K146 WeakPolarHBondContact O-CE 3.29Å; G113-K146 PolarHBondContact O-NZ 3.4Å; N115-K146 WeakPolarHBondContact OD1-CE 3.33Å; N115-K146 PolarHBondContact OD1-NZ 3.46Å; L143-K146 PolarHBondContact O-N 3.21Å; K146-M148 VanDerWaalsContact C-N 3.29Å; K146-M148 PolarHBondContact O-N 3.02Å; K146-L149 PolarHBondContact O-N 3Å; K146-L150 PolarHBondContact O-N 3.34Å; K146-L150 VanDerWaalsContact O-N 3.1Å; K146-I303 HydrophobicContact CB-CD1 3.65Å; K146-I303 HydrophobicContact CB-CG1 4.28Å; K146-I303 HydrophobicContact CB-CG2 4.5Å; K146-I303 HydrophobicContact CD-CG2 4.29Å; K146-H305 PolarHBondContact NZ-CE1 2.76Å; K146-L320 HydrophobicContact CG-CD2 4.12Å
147	S	77.8	Confident	66.3	Low	15 Å²	15	46.5 Å²	46.5	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-35.4	-179.9	-53.5	0	0	0	0	111.7	L143 L150 S151 D275	L143-S147 PolarHBondContact O-N 2.81Å; S147-L150 PolarHBondContact O-N 2.8Å; S147-S151 WeakPolarHBondContact O-CB 3.46Å; S147-S151 PolarHBondContact O-N 3.31Å; S147-S151 PolarHBondContact O-OG 3.14Å; S147-S151 VanDerWaalsContact O-OG 3.08Å; S147-D275 WeakPolarHBondContact CB-OD2 3.24Å; S147-D275 PolarHBondContact OG-OD2 3.33Å
148	M	80	Confident	69.1	Low	19 Å²	19	43.7 Å²	43.7	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-36.6	176.6	-66.1	-65.8	174.6	0	0	112.5	K62 R66 L88 F90 L95 V144 K146 S151 A152	K62-M148 HydrophobicContact CD-CE 4.4Å; R66-M148 PolarHBondContact NH2-SD 3.47Å; L88-M148 HydrophobicContact CD2-CB 4.38Å; F90-M148 HydrophobicContact CD1-CE 4.23Å; F90-M148 HydrophobicContact CD2-CE 4.46Å; F90-M148 HydrophobicContact CD2-SD 4.2Å; F90-M148 HydrophobicContact CE1-CE 3.63Å; F90-M148 HydrophobicContact CE2-CE 3.92Å; F90-M148 HydrophobicContact CE2-SD 3.99Å; F90-M148 HydrophobicContact CZ-CE 3.47Å; F90-M148 VanDerWaalsContact CZ-CE 3.47Å; F90-M148 HydrophobicContact CZ-SD 4.18Å; L95-M148 HydrophobicContact CD1-CB 4.2Å; L95-M148 HydrophobicContact CD1-CG 4.41Å; V144-M148 HydrophobicContact CG1-CG 4.34Å; V144-M148 WeakPolarHBondContact O-CB 3.39Å; V144-M148 WeakPolarHBondContact O-CG 3.18Å; K146-M148 VanDerWaalsContact C-N 3.29Å; K146-M148 PolarHBondContact O-N 3.02Å; M148-S151 PolarHBondContact O-N 3.37Å; M148-A152 WeakPolarHBondContact O-CB 3.29Å; M148-A152 PolarHBondContact O-N 3.14Å
149	L	86.4	Confident	71.7	Confident	5 Å²	5	40 Å²	40	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-47.1	172.3	177.7	61.3	0	0	0	110.7	L86 L88 L96 L111 G145 K146 S151 A152 I153 I158 L325	L86-L149 HydrophobicContact CD2-CD1 4.08Å; L88-L149 HydrophobicContact CD2-CB 4.31Å; L96-L149 HydrophobicContact CD1-CD1 3.81Å; L96-L149 HydrophobicContact CD1-CD2 4.2Å; L96-L149 HydrophobicContact CD1-CG 4.47Å; L111-L149 HydrophobicContact CD1-CD2 4.48Å; L111-L149 HydrophobicContact CD2-CD2 4.17Å; G145-L149 PolarHBondContact O-N 3.42Å; G145-L149 VanDerWaalsContact O-N 3.09Å; K146-L149 PolarHBondContact O-N 3Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 3.1Å; L149-A152 PolarHBondContact O-N 2.91Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L149-I153 HydrophobicContact CD1-CD1 4.36Å; L149-I153 HydrophobicContact CG-CD1 4.21Å; L149-I153 WeakPolarHBondContact O-CG1 3.24Å; L149-I153 PolarHBondContact O-N 3.28Å; L149-I158 HydrophobicContact CD1-CD1 4.19Å; L149-L325 HydrophobicContact CD2-CD1 4.1Å; L149-L325 HydrophobicContact CD2-CD2 4.06Å
150	L	88.3	Confident	74.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-42.2	174.9	-99.1	66.4	0	0	0	112	L111 K146 S147 A152 I153 G154 L273 D275 V301 I303	L111-L150 HydrophobicContact CD2-CD1 3.48Å; L111-L150 VanDerWaalsContact CD2-CD1 3.48Å; K146-L150 PolarHBondContact O-N 3.34Å; K146-L150 VanDerWaalsContact O-N 3.1Å; S147-L150 PolarHBondContact O-N 2.8Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 2.96Å; L150-I153 PolarHBondContact O-N 3.37Å; L150-G154 PolarHBondContact O-N 3.43Å; L150-L273 HydrophobicContact CD2-CB 4.23Å; L150-L273 HydrophobicContact CG-CB 4.33Å; L150-D275 HydrophobicContact CD2-CB 4.46Å; L150-V301 HydrophobicContact CD1-CG1 3.93Å; L150-I303 HydrophobicContact CD1-CD1 3.88Å; L150-I303 HydrophobicContact CD1-CG1 4.05Å; L150-I303 HydrophobicContact CD2-CD1 3.67Å; L150-I303 HydrophobicContact CD2-CG1 3.86Å; L150-I303 HydrophobicContact CG-CD1 4.22Å
151	S	86.2	Confident	76.7	Confident	11 Å²	11	26 Å²	26	8%	0.077	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-39.5	173.9	-65.5	0	0	0	0	112.6	R66 S147 M148 L149 G154 H155 H168	R66-S151 VanDerWaalsContact NH2-CB 3.27Å; S147-S151 WeakPolarHBondContact O-CB 3.46Å; S147-S151 PolarHBondContact O-N 3.31Å; S147-S151 PolarHBondContact O-OG 3.14Å; S147-S151 VanDerWaalsContact O-OG 3.08Å; M148-S151 PolarHBondContact O-N 3.37Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 3.1Å; S151-G154 PolarHBondContact O-N 3.05Å; S151-H155 WeakPolarHBondContact O-CB 3.48Å; S151-H155 PolarHBondContact O-N 3.47Å; S151-H155 PolarHBondContact O-ND1 3.03Å; S151-H168 VanDerWaalsContact CA-CE1 3.43Å; S151-H168 WeakPolarHBondContact CA-CE1 3.5Å; S151-H168 PolarHBondContact N-CE1 3.45Å
152	A	86.9	Confident	78.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-40.1	178.5	0	0	0	0	0	111.8	V68 L88 M148 L149 L150 R156 E157 I158	V68-A152 HydrophobicContact CG2-CB 4.2Å; L88-A152 HydrophobicContact CD1-CB 4.34Å; M148-A152 WeakPolarHBondContact O-CB 3.29Å; M148-A152 PolarHBondContact O-N 3.14Å; L149-A152 PolarHBondContact O-N 2.91Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 2.96Å; A152-R156 PolarHBondContact O-N 3.38Å; A152-E157 VanDerWaalsContact CA-OE2 3.26Å; A152-E157 WeakPolarHBondContact CA-OE2 3.48Å; A152-E157 HydrophobicContact CB-CB 4.43Å; A152-E157 WeakPolarHBondContact CB-OE2 3.4Å; A152-E157 PolarHBondContact O-N 2.82Å; A152-I158 HydrophobicContact CB-CD1 4.04Å; A152-I158 HydrophobicContact CB-CG1 4.28Å
153	I	89.7	Confident	81	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-50.7	172.3	-61.7	168.2	0	0	0	109.7	L101 L103 L149 L150 H155 R156 I158 I160 M271 L273	L101-I153 HydrophobicContact CD2-CD1 3.88Å; L101-I153 HydrophobicContact CD2-CG1 4.17Å; L103-I153 HydrophobicContact CD1-CD1 4.5Å; L149-I153 HydrophobicContact CD1-CD1 4.36Å; L149-I153 HydrophobicContact CG-CD1 4.21Å; L149-I153 WeakPolarHBondContact O-CG1 3.24Å; L149-I153 PolarHBondContact O-N 3.28Å; L150-I153 PolarHBondContact O-N 3.37Å; I153-H155 VanDerWaalsContact C-N 3.34Å; I153-H155 PolarHBondContact O-N 2.92Å; I153-R156 PolarHBondContact O-N 2.72Å; I153-I158 HydrophobicContact CG1-CD1 3.7Å; I153-I160 HydrophobicContact CB-CD1 4.3Å; I153-I160 HydrophobicContact CG2-CD1 3.56Å; I153-I160 WeakPolarHBondContact O-CD1 3.48Å; I153-M271 HydrophobicContact CG2-SD 3.56Å; I153-M271 VanDerWaalsContact CG2-SD 3.56Å; I153-L273 HydrophobicContact CB-CD1 3.93Å; I153-L273 HydrophobicContact CG2-CD1 3.66Å; I153-L273 HydrophobicContact CG2-CD2 4.2Å
154	G	86.9	Confident	83	Confident	21 Å²	21	31.8 Å²	31.8	22%	0.216	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-35.9	-176.1	0	0	0	0	0	114.5	L150 S151 R156	L150-G154 PolarHBondContact O-N 3.43Å; S151-G154 PolarHBondContact O-N 3.05Å; G154-R156 VanDerWaalsContact C-N 3.29Å
155	H	86.4	Confident	84.3	Confident	87 Å²	87	34.4 Å²	34.4	40%	0.403	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.1	176.4	-65.2	102.8	0	0	0	113.6	S151 I153 E157	S151-H155 WeakPolarHBondContact O-CB 3.48Å; S151-H155 PolarHBondContact O-N 3.47Å; S151-H155 PolarHBondContact O-ND1 3.03Å; I153-H155 VanDerWaalsContact C-N 3.34Å; I153-H155 PolarHBondContact O-N 2.92Å; H155-E157 HydrophobicContact CB-CG 4.07Å; H155-E157 PolarHBondContact O-N 3Å
156	R	87.9	Confident	85.5	Confident	97 Å²	97	35.7 Å²	35.7	37%	0.366	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	33	-175.4	-61.8	179.3	173.2	-106.9	13.5	113.3	A152 I153 G154 I158 I160 P161 E162 I164 I166	A152-R156 PolarHBondContact O-N 3.38Å; I153-R156 PolarHBondContact O-N 2.72Å; G154-R156 VanDerWaalsContact C-N 3.29Å; R156-I158 CarbonylContact C-O 3.46Å; R156-I158 PolarHBondContact O-N 3.36Å; R156-I160 PolarHBondContact NH1-O 3.17Å; R156-P161 PolarHBondContact NH1-O 3.33Å; R156-E162 PolarHBondContact NH2-O 3.07Å; R156-I164 PolarHBondContact NH2-O 3.28Å; R156-I166 HydrophobicContact CG-CD1 3.82Å
157	E	86.6	Confident	86.1	Confident	49 Å²	49	37.8 Å²	37.8	23%	0.229	19%	0.187	C	C	.	.			trans	-70.7	-20.4	171.6	-65.2	167.2	-176.2	0	0	111.4	R66 V68 A152 H155	R66-E157 WeakPolarHBondContact CD-OE2 3.49Å; R66-E157 IonicContact CZ-OE1 3.48Å; R66-E157 IonicContact CZ-OE2 3.78Å; R66-E157 IonicContact NE-OE2 3.49Å; R66-E157 VanDerWaalsContact NH1-CD 3.31Å; R66-E157 IonicContact NH1-OE1 3.72Å; R66-E157 PolarHBondContact NH1-OE1 3.36Å; R66-E157 IonicContact NH1-OE2 2.74Å; R66-E157 PolarHBondContact NH1-OE2 3.14Å; V68-E157 HydrophobicContact CB-CB 4.43Å; V68-E157 HydrophobicContact CG2-CB 3.94Å; V68-E157 WeakPolarHBondContact CG2-OE2 3.3Å; A152-E157 VanDerWaalsContact CA-OE2 3.26Å; A152-E157 WeakPolarHBondContact CA-OE2 3.48Å; A152-E157 HydrophobicContact CB-CB 4.43Å; A152-E157 WeakPolarHBondContact CB-OE2 3.4Å; A152-E157 PolarHBondContact O-N 2.82Å; H155-E157 HydrophobicContact CB-CG 4.07Å; H155-E157 PolarHBondContact O-N 3Å
158	I	88.4	Confident	86.7	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.015	19%	0.189	C	C	.	.	S	Bend	trans	-96.4	140	170.7	-60.6	171.7	0	0	0	107.5	V68 I83 L86 L101 L149 A152 I153 R156 I160	V68-I158 HydrophobicContact CG1-CD1 4.42Å; V68-I158 HydrophobicContact CG1-CG1 3.64Å; I83-I158 HydrophobicContact CB-CG2 4.42Å; I83-I158 HydrophobicContact CD1-CG2 3.24Å; I83-I158 HydrophobicContact CG1-CG2 3.71Å; I83-I158 HydrophobicContact CG2-CG2 4.12Å; L86-I158 HydrophobicContact CD1-CD1 3.92Å; L86-I158 HydrophobicContact CD1-CG1 3.98Å; L86-I158 HydrophobicContact CD1-CG2 4.4Å; L86-I158 HydrophobicContact CD2-CD1 4.39Å; L101-I158 HydrophobicContact CD2-CD1 4.36Å; L149-I158 HydrophobicContact CD1-CD1 4.19Å; A152-I158 HydrophobicContact CB-CD1 4.04Å; A152-I158 HydrophobicContact CB-CG1 4.28Å; I153-I158 HydrophobicContact CG1-CD1 3.7Å; R156-I158 CarbonylContact C-O 3.46Å; R156-I158 PolarHBondContact O-N 3.36Å; I158-I160 PolarHBondContact O-N 3Å
159	P	87.2	Confident	87	Confident	52 Å²	52	38.3 Å²	38.3	34%	0.338	19%	0.188	S	C	.	.			trans	-67.7	94.5	-178.6	28.9	-36.5	0	0	0	110.5	L72	L72-P159 HydrophobicContact CB-CB 4.08Å; L72-P159 HydrophobicContact CB-CG 4.08Å; L72-P159 WeakPolarHBondContact CD1-O 3.45Å
160	I	89	Confident	86.5	Confident	15 Å²	15	41.2 Å²	41.2	8%	0.077	21%	0.206	C	C	.	.			trans	-107	134.5	175.3	-60	165.1	0	0	0	107.6	V81 I153 R156 I158 I164 I166	V81-I160 HydrophobicContact CG2-CG2 4.37Å; I153-I160 HydrophobicContact CB-CD1 4.3Å; I153-I160 HydrophobicContact CG2-CD1 3.56Å; I153-I160 WeakPolarHBondContact O-CD1 3.48Å; R156-I160 PolarHBondContact NH1-O 3.17Å; I158-I160 PolarHBondContact O-N 3Å; I160-I164 HydrophobicContact CG2-CB 4.07Å; I160-I164 HydrophobicContact CG2-CD1 4.45Å; I160-I164 HydrophobicContact CG2-CG2 4.01Å; I160-I166 HydrophobicContact CB-CD1 4.28Å; I160-I166 HydrophobicContact CD1-CD1 3.45Å; I160-I166 VanDerWaalsContact CD1-CD1 3.45Å; I160-I166 HydrophobicContact CG1-CD1 4.46Å; I160-I166 HydrophobicContact CG2-CD1 4Å
161	P	86.9	Confident	86	Confident	8 Å²	8	46.3 Å²	46.3	5%	0.052	23%	0.225	C	C	.	.			trans	-48.1	143.2	177.1	-31.3	35.7	0	0	0	115	L72 P76 R156 H163 I164	L72-P161 HydrophobicContact CD2-CG 4.12Å; P76-P161 WeakPolarHBondContact O-CB 3.39Å; R156-P161 PolarHBondContact NH1-O 3.33Å; P161-H163 VanDerWaalsContact C-N 3.34Å; P161-H163 WeakPolarHBondContact CB-CE1 3.39Å; P161-H163 VanDerWaalsContact CB-ND1 3.33Å; P161-H163 WeakPolarHBondContact CB-ND1 3.27Å; P161-H163 PolarHBondContact O-N 3.42Å; P161-I164 HydrophobicContact CB-CD1 4.1Å; P161-I164 HydrophobicContact CB-CG1 4.22Å; P161-I164 HydrophobicContact CG-CD1 4.03Å; P161-I164 PolarHBondContact O-N 3.42Å
162	E	83.3	Confident	85.8	Confident	177 Å²	177	49.7 Å²	49.7	83%	0.827	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-38.2	-175.1	-69	-173.4	173.4	0	0	112.5	R156 I164	R156-E162 PolarHBondContact NH2-O 3.07Å; E162-I164 PolarHBondContact O-N 3.11Å
163	H	80.3	Confident	85.6	Confident	86 Å²	86	51.2 Å²	51.2	40%	0.398	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.9	179.4	69.5	-75.6	0	0	0	114.5	P76 S78 P161 D165	P76-H163 PolarHBondContact O-CE1 2.75Å; P76-H163 PolarHBondContact O-ND1 3.42Å; S78-H163 PolarHBondContact O-CE1 3.35Å; S78-H163 VanDerWaalsContact O-CE1 3.25Å; S78-H163 PolarHBondContact O-NE2 3.3Å; P161-H163 VanDerWaalsContact C-N 3.34Å; P161-H163 WeakPolarHBondContact CB-CE1 3.39Å; P161-H163 VanDerWaalsContact CB-ND1 3.33Å; P161-H163 WeakPolarHBondContact CB-ND1 3.27Å; P161-H163 PolarHBondContact O-N 3.42Å; H163-D165 PolarHBondContact O-N 3.12Å
164	I	84.9	Confident	85.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-88.2	101.8	176.5	-66.9	178.4	0	0	0	109.1	V81 R156 I160 P161 E162 I166 F270 M271	V81-I164 HydrophobicContact CG2-CD1 3.4Å; V81-I164 VanDerWaalsContact CG2-CD1 3.4Å; R156-I164 PolarHBondContact NH2-O 3.28Å; I160-I164 HydrophobicContact CG2-CB 4.07Å; I160-I164 HydrophobicContact CG2-CD1 4.45Å; I160-I164 HydrophobicContact CG2-CG2 4.01Å; P161-I164 HydrophobicContact CB-CD1 4.1Å; P161-I164 HydrophobicContact CB-CG1 4.22Å; P161-I164 HydrophobicContact CG-CD1 4.03Å; P161-I164 PolarHBondContact O-N 3.42Å; E162-I164 PolarHBondContact O-N 3.11Å; I164-I166 HydrophobicContact CG2-CG1 4.28Å; I164-I166 PolarHBondContact O-N 3.36Å; I164-F270 HydrophobicContact CB-CD1 4.29Å; I164-F270 HydrophobicContact CD1-CD1 4.44Å; I164-F270 HydrophobicContact CD1-CE1 4.43Å; I164-F270 HydrophobicContact CG1-CD1 3.95Å; I164-F270 HydrophobicContact CG1-CE1 4.25Å; I164-F270 HydrophobicContact CG2-CB 4.24Å; I164-F270 HydrophobicContact CG2-CD1 3.78Å; I164-F270 HydrophobicContact CG2-CG 4.36Å; I164-M271 HydrophobicContact CG2-CB 4.09Å; I164-M271 HydrophobicContact CG2-CE 4.13Å
165	D	86	Confident	85.3	Confident	61 Å²	61	55.2 Å²	55.2	33%	0.326	28%	0.275	S	S	.	.			trans	-70.4	125.9	172.8	-69.2	-33.6	0	0	0	111.5	H163 Q190 F270 M271	H163-D165 PolarHBondContact O-N 3.12Å; D165-Q190 PolarHBondContact OD2-NE2 3.48Å; D165-F270 HydrophobicContact CB-CB 4.41Å; D165-F270 PolarHBondContact O-N 3.25Å; D165-F270 VanDerWaalsContact O-N 3.08Å; D165-M271 PolarHBondContact O-N 3.41Å
166	I	88.9	Confident	85.4	Confident	32 Å²	32	53 Å²	53	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.9	-179.9	-54	162.9	0	0	0	108.7	R156 I160 I164 M271 L273	R156-I166 HydrophobicContact CG-CD1 3.82Å; I160-I166 HydrophobicContact CB-CD1 4.28Å; I160-I166 HydrophobicContact CD1-CD1 3.45Å; I160-I166 VanDerWaalsContact CD1-CD1 3.45Å; I160-I166 HydrophobicContact CG1-CD1 4.46Å; I160-I166 HydrophobicContact CG2-CD1 4Å; I164-I166 HydrophobicContact CG2-CG1 4.28Å; I164-I166 PolarHBondContact O-N 3.36Å; I166-M271 WeakPolarHBondContact CA-O 3.46Å; I166-M271 HydrophobicContact CG1-CB 4.13Å; I166-M271 HydrophobicContact CG1-SD 4.14Å; I166-M271 HydrophobicContact CG2-SD 4.43Å; I166-L273 HydrophobicContact CG2-CD1 3.73Å; I166-L273 HydrophobicContact CG2-CG 4.06Å
167	Y	90.6	Very high	85.5	Confident	52 Å²	52	52.8 Å²	52.8	20%	0.204	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.1	166.3	-159.8	-85.7	0	0	0	109.3	A264 I267 M271 L272 L273	Y167-A264 HydrophobicContact CD1-CB 3.52Å; Y167-A264 HydrophobicContact CE1-CB 3.4Å; Y167-A264 HydrophobicContact CG-CB 4.45Å; Y167-I267 HydrophobicContact CD2-CD1 3.69Å; Y167-I267 HydrophobicContact CE2-CD1 3.28Å; Y167-M271 PolarHBondContact N-O 2.94Å; Y167-L272 HydrophobicContact CD1-CD1 4.27Å; Y167-L273 PolarHBondContact O-N 3.14Å
168	H	89.6	Confident	85.6	Confident	29 Å²	29	54 Å²	54	13%	0.134	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	110.2	176.6	-173.2	-162.9	0	0	0	110.5	S151 T170 L273	S151-H168 VanDerWaalsContact CA-CE1 3.43Å; S151-H168 WeakPolarHBondContact CA-CE1 3.5Å; S151-H168 PolarHBondContact N-CE1 3.45Å; H168-T170 WeakPolarHBondContact CE1-CG2 3.34Å; H168-T170 VanDerWaalsContact ND1-CG2 3.27Å; H168-T170 WeakPolarHBondContact ND1-CG2 3.35Å; H168-T170 WeakPolarHBondContact NE2-CG2 2.98Å; H168-T170 PolarHBondContact O-N 3.42Å; H168-L273 HydrophobicContact CB-CB 4.28Å; H168-L273 HydrophobicContact CB-CD1 4.14Å
169	L	87.4	Confident	85.8	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	95.8	177.3	-176.9	67.1	0	0	0	110.1	M257 A260 L261 L273 L274	L169-M257 HydrophobicContact CD1-SD 4.33Å; L169-M257 HydrophobicContact CG-SD 4.38Å; L169-A260 HydrophobicContact CD1-CB 3.53Å; L169-L261 HydrophobicContact CD2-CB 3.84Å; L169-L261 HydrophobicContact CD2-CD1 3.66Å; L169-L261 HydrophobicContact CD2-CG 4.34Å; L169-L273 PolarHBondContact N-O 3.18Å; L169-L274 HydrophobicContact CB-CD2 3.85Å; L169-L274 HydrophobicContact CD2-CD2 3.88Å
170	T	76.1	Confident	85.9	Confident	65 Å²	65	52.2 Å²	52.2	40%	0.399	27%	0.268	S	S	.	.			trans	-112	-22.9	179.2	48.8	0	0	0	0	114.1	H168	H168-T170 WeakPolarHBondContact CE1-CG2 3.34Å; H168-T170 VanDerWaalsContact ND1-CG2 3.27Å; H168-T170 WeakPolarHBondContact ND1-CG2 3.35Å; H168-T170 WeakPolarHBondContact NE2-CG2 2.98Å; H168-T170 PolarHBondContact O-N 3.42Å
171	R	76	Confident	85.9	Confident	107 Å²	107	51.7 Å²	51.7	40%	0.404	27%	0.265	S	S	.	.	S	Bend	trans	-132.6	147	-166.5	-61.9	-179	-172.2	-174.8	2.2	111.5	D56 E59 A260	D56-R171 IonicContact OD1-CZ 2.79Å; D56-R171 IonicContact OD1-NH1 2.74Å; D56-R171 PolarHBondContact OD1-NH1 3.16Å; D56-R171 IonicContact OD1-NH2 3.74Å; D56-R171 PolarHBondContact OD1-NH2 3.32Å; E59-R171 VanDerWaalsContact CG-NH2 3.31Å; R171-A260 WeakPolarHBondContact O-CB 3.31Å
172	E	83.3	Confident	86	Confident	83 Å²	83	55.8 Å²	55.8	39%	0.388	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-66	151.5	164.6	55.4	171.7	-143.3	0	0	110.7	G253 R256 M257	E172-G253 WeakPolarHBondContact OE2-CA 3.42Å; E172-R256 HydrophobicContact CB-CB 4.25Å; E172-R256 IonicContact OE1-CZ 2.88Å; E172-R256 IonicContact OE1-NH1 3.97Å; E172-R256 PolarHBondContact OE1-NH1 2.94Å; E172-R256 IonicContact OE1-NH2 2.8Å; E172-R256 PolarHBondContact OE1-NH2 2.84Å; E172-R256 IonicContact OE2-CZ 3.78Å; E172-R256 IonicContact OE2-NH1 3Å; E172-R256 IonicContact OE2-NH2 2.76Å; E172-R256 PolarHBondContact OE2-NH2 3.38Å; E172-M257 HydrophobicContact CB-CB 4.25Å; E172-M257 HydrophobicContact CB-CE 4.18Å
173	M	82.8	Confident	86.1	Confident	31 Å²	31	47.5 Å²	47.5	15%	0.153	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-64	137.1	173.3	-74.3	-71.1	-77	0	0	110.6	C183 L248 R256 V259 A260	M173-C183 HydrophobicContact CE-CB 3.96Å; M173-L248 HydrophobicContact CB-CD2 3.68Å; M173-L248 HydrophobicContact CE-CD2 4.2Å; M173-L248 HydrophobicContact CG-CD2 4.37Å; M173-R256 HydrophobicContact CB-CB 4.47Å; M173-R256 PolarHBondContact N-O 3.07Å; M173-R256 WeakPolarHBondContact O-CD 3.29Å; M173-R256 PolarHBondContact O-NH1 3.1Å; M173-V259 HydrophobicContact CG-CB 4.46Å; M173-V259 HydrophobicContact CG-CG1 4.29Å; M173-A260 HydrophobicContact CG-CB 3.85Å
174	A	82.7	Confident	86.4	Confident	57 Å²	57	43.4 Å²	43.4	47%	0.471	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-60.1	146.8	173.7	0	0	0	0	0	110.8	S176	A174-S176 PolarHBondContact O-N 3.14Å
175	P	87.9	Confident	86.3	Confident	52 Å²	52	46 Å²	46	34%	0.338	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-59.5	131.4	173.6	27.7	-34.7	0	0	0	109.3	V48 K249	V48-P175 HydrophobicContact CG1-CG 3.69Å; P175-K249 HydrophobicContact CB-CB 4.05Å
176	S	87.9	Confident	85.7	Confident	40 Å²	40	48.1 Å²	48.1	28%	0.28	25%	0.247	S	C	.	.			trans	-142.9	157.2	-176.4	-178.2	0	0	0	0	110.3	A174 K178 L248 K249	A174-S176 PolarHBondContact O-N 3.14Å; S176-K178 PolarHBondContact O-N 3.05Å; S176-K178 PolarHBondContact OG-N 3.35Å; S176-L248 PolarHBondContact O-N 3.1Å; S176-K249 PolarHBondContact O-N 3.04Å
177	D	90.1	Very high	84.4	Confident	92 Å²	92	47.7 Å²	47.7	49%	0.492	25%	0.246	S	C	.	.	S	Bend	trans	-77	-8.3	172.9	-86.7	-61.6	0	0	0	113.6	K247 K249	D177-K247 WeakPolarHBondContact O-CD 3.39Å; D177-K247 WeakPolarHBondContact O-CE 3.31Å; D177-K247 WeakPolarHBondContact O-CG 3.48Å; D177-K247 IonicContact OD1-NZ 2.76Å; D177-K247 PolarHBondContact OD1-NZ 3.38Å; D177-K249 VanDerWaalsContact OD1-CE 3.31Å; D177-K249 WeakPolarHBondContact OD1-CE 3.21Å; D177-K249 IonicContact OD1-NZ 3.56Å; D177-K249 PolarHBondContact OD1-NZ 3.12Å
178	K	88.7	Confident	82.9	Confident	76 Å²	76	46.6 Å²	46.6	33%	0.33	24%	0.243	S	C	.	.	S	Bend	trans	-74.5	153.5	176.1	-63.5	177.1	-171.8	168.9	0	111.4	S176 Q182 C183 E186 K247 L248	S176-K178 PolarHBondContact O-N 3.05Å; S176-K178 PolarHBondContact OG-N 3.35Å; K178-Q182 HydrophobicContact CB-CB 4.48Å; K178-C183 VanDerWaalsContact CB-SG 3.59Å; K178-E186 WeakPolarHBondContact CD-OE2 3.28Å; K178-E186 WeakPolarHBondContact CE-OE2 3.37Å; K178-E186 IonicContact NZ-OE1 3.01Å; K178-E186 PolarHBondContact NZ-OE1 3.28Å; K178-E186 IonicContact NZ-OE2 2.72Å; K178-E186 PolarHBondContact NZ-OE2 3.4Å; K178-K247 WeakPolarHBondContact O-CA 3.35Å; K178-L248 WeakPolarHBondContact O-CD1 3.38Å; K178-L248 PolarHBondContact O-N 2.9Å
179	T	92.1	Very high	81.4	Confident	16 Å²	16	52.1 Å²	52.1	10%	0.098	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-76.4	159.3	177	71.2	0	0	0	0	111.4	L181 Q182 C183 Q245 K246	T179-L181 VanDerWaalsContact C-N 3.25Å; T179-L181 PolarHBondContact O-N 3.09Å; T179-Q182 PolarHBondContact O-N 3.28Å; T179-Q182 WeakPolarHBondContact OG1-CB 3.32Å; T179-Q182 VanDerWaalsContact OG1-CG 3.24Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.46Å; T179-Q182 PolarHBondContact OG1-N 3.3Å; T179-C183 PolarHBondContact O-N 3.04Å; T179-Q245 WeakPolarHBondContact CG2-O 3.18Å; T179-K246 WeakPolarHBondContact CA-O 3.19Å
180	A	89.8	Confident	79.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-42.6	175.9	0	0	0	0	0	112	C183 V184 L234 F239 Q244 K246 L248 F251 V259	A180-C183 PolarHBondContact O-N 3.42Å; A180-V184 WeakPolarHBondContact O-CG2 3.46Å; A180-V184 PolarHBondContact O-N 3.3Å; A180-L234 HydrophobicContact CB-CD1 4.47Å; A180-F239 HydrophobicContact CB-CD1 4.42Å; A180-F239 HydrophobicContact CB-CE1 4.31Å; A180-Q244 PolarHBondContact N-O 3.03Å; A180-K246 PolarHBondContact N-O 2.86Å; A180-L248 HydrophobicContact CB-CD1 4.29Å; A180-F251 HydrophobicContact CB-CE2 4.26Å; A180-V259 HydrophobicContact CB-CG2 4.08Å
181	L	89.6	Confident	79.2	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-48	177.5	-170.6	65.5	0	0	0	112.2	T179 C183 V184 M185 E227 A230 L234 Q244	T179-L181 VanDerWaalsContact C-N 3.25Å; T179-L181 PolarHBondContact O-N 3.09Å; L181-C183 VanDerWaalsContact C-N 3.31Å; L181-C183 PolarHBondContact O-N 3.1Å; L181-V184 PolarHBondContact O-N 2.88Å; L181-M185 HydrophobicContact CD2-CE 4.41Å; L181-M185 HydrophobicContact CG-CE 3.98Å; L181-M185 HydrophobicContact CG-SD 4.36Å; L181-M185 WeakPolarHBondContact O-CG 3.28Å; L181-M185 PolarHBondContact O-N 3.1Å; L181-M185 VanDerWaalsContact O-N 3.16Å; L181-E227 HydrophobicContact CD2-CG 3.82Å; L181-E227 WeakPolarHBondContact CD2-OE1 3.37Å; L181-A230 HydrophobicContact CD1-CB 3.78Å; L181-L234 HydrophobicContact CB-CD1 4.35Å; L181-L234 HydrophobicContact CD1-CD1 4.02Å; L181-Q244 PolarHBondContact N-O 3.41Å; L181-Q244 VanDerWaalsContact N-O 3.11Å
182	Q	87.6	Confident	78.5	Confident	94 Å²	94	52.1 Å²	52.1	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-41.9	178.7	-74.3	170.2	-7.4	0	0	111.9	K178 T179 V184 M185 E186	K178-Q182 HydrophobicContact CB-CB 4.48Å; T179-Q182 PolarHBondContact O-N 3.28Å; T179-Q182 WeakPolarHBondContact OG1-CB 3.32Å; T179-Q182 VanDerWaalsContact OG1-CG 3.24Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.46Å; T179-Q182 PolarHBondContact OG1-N 3.3Å; Q182-V184 VanDerWaalsContact C-N 3.27Å; Q182-V184 PolarHBondContact O-N 3.36Å; Q182-M185 PolarHBondContact O-N 3.27Å; Q182-E186 VanDerWaalsContact O-CB 3.29Å; Q182-E186 WeakPolarHBondContact O-CB 3.41Å; Q182-E186 PolarHBondContact O-N 3.29Å
183	C	86.6	Confident	77.6	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-29	179.2	-78.4	0	0	0	0	114.2	M173 K178 T179 A180 L181 L248 V259	M173-C183 HydrophobicContact CE-CB 3.96Å; K178-C183 VanDerWaalsContact CB-SG 3.59Å; T179-C183 PolarHBondContact O-N 3.04Å; A180-C183 PolarHBondContact O-N 3.42Å; L181-C183 VanDerWaalsContact C-N 3.31Å; L181-C183 PolarHBondContact O-N 3.1Å; C183-L248 HydrophobicContact CB-CD1 3.95Å; C183-L248 HydrophobicContact CB-CD2 4.21Å; C183-L248 VanDerWaalsContact SG-CD1 3.54Å; C183-V259 HydrophobicContact CB-CG1 4.21Å
184	V	86.8	Confident	76.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75.7	-38.6	174.7	174.8	0	0	0	0	110.7	A180 L181 Q182 A230 L234 V259 A262 F266	A180-V184 WeakPolarHBondContact O-CG2 3.46Å; A180-V184 PolarHBondContact O-N 3.3Å; L181-V184 PolarHBondContact O-N 2.88Å; Q182-V184 VanDerWaalsContact C-N 3.27Å; Q182-V184 PolarHBondContact O-N 3.36Å; V184-A230 HydrophobicContact CB-CB 4.33Å; V184-A230 HydrophobicContact CG1-CB 3.79Å; V184-L234 HydrophobicContact CG2-CD1 4.08Å; V184-L234 HydrophobicContact CG2-CD2 4.05Å; V184-L234 HydrophobicContact CG2-CG 4.16Å; V184-V259 HydrophobicContact CG2-CG1 4.09Å; V184-A262 HydrophobicContact CG2-CB 3.81Å; V184-F266 HydrophobicContact CG1-CB 3.61Å; V184-F266 HydrophobicContact CG1-CD1 4.34Å; V184-F266 HydrophobicContact CG1-CD2 4.04Å; V184-F266 HydrophobicContact CG1-CG 3.73Å; V184-F266 WeakPolarHBondContact O-CD1 3.39Å
185	M	82.5	Confident	76	Confident	53 Å²	53	54.7 Å²	54.7	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-77.5	-28	-178.7	-64.3	-173.6	-57.3	0	0	114.1	L181 Q182 V187 E227 A230	L181-M185 HydrophobicContact CD2-CE 4.41Å; L181-M185 HydrophobicContact CG-CE 3.98Å; L181-M185 HydrophobicContact CG-SD 4.36Å; L181-M185 WeakPolarHBondContact O-CG 3.28Å; L181-M185 PolarHBondContact O-N 3.1Å; L181-M185 VanDerWaalsContact O-N 3.16Å; Q182-M185 PolarHBondContact O-N 3.27Å; M185-V187 PolarHBondContact O-N 3.47Å; M185-E227 HydrophobicContact SD-CB 3.91Å; M185-E227 HydrophobicContact SD-CG 4.14Å; M185-A230 HydrophobicContact CG-CB 3.92Å
186	E	72.6	Confident	75.2	Confident	107 Å²	107	58.6 Å²	58.6	50%	0.5	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-7.2	-171.2	-176.4	167.1	-151.8	0	0	114.9	K178 Q182 D188	K178-E186 WeakPolarHBondContact CD-OE2 3.28Å; K178-E186 WeakPolarHBondContact CE-OE2 3.37Å; K178-E186 IonicContact NZ-OE1 3.01Å; K178-E186 PolarHBondContact NZ-OE1 3.28Å; K178-E186 IonicContact NZ-OE2 2.72Å; K178-E186 PolarHBondContact NZ-OE2 3.4Å; Q182-E186 VanDerWaalsContact O-CB 3.29Å; Q182-E186 WeakPolarHBondContact O-CB 3.41Å; Q182-E186 PolarHBondContact O-N 3.29Å; E186-D188 VanDerWaalsContact C-N 3.27Å; E186-D188 PolarHBondContact O-N 3.48Å
187	V	61.2	Low	74.4	Confident	22 Å²	22	61.6 Å²	61.6	13%	0.133	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	15.3	-163.9	-161.1	0	0	0	0	113.6	M185 E189 R263 I267	M185-V187 PolarHBondContact O-N 3.47Å; V187-E189 PolarHBondContact O-N 2.92Å; V187-R263 HydrophobicContact CG2-CG 3.75Å; V187-R263 VanDerWaalsContact CG2-NH2 3.33Å; V187-I267 HydrophobicContact CB-CD1 4.13Å; V187-I267 HydrophobicContact CB-CG1 4.18Å; V187-I267 HydrophobicContact CG1-CD1 3.44Å; V187-I267 VanDerWaalsContact CG1-CD1 3.44Å; V187-I267 HydrophobicContact CG1-CG1 3.91Å
188	D	60.5	Low	73.3	Confident	29 Å²	29	57.3 Å²	57.3	16%	0.155	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	29.9	-176.9	-107.7	-5.9	0	0	0	113.8	E186 Q190 R191 I192	E186-D188 VanDerWaalsContact C-N 3.27Å; E186-D188 PolarHBondContact O-N 3.48Å; D188-Q190 PolarHBondContact O-N 2.87Å; D188-R191 HydrophobicContact CB-CB 3.83Å; D188-R191 PolarHBondContact O-N 3.44Å; D188-R191 WeakPolarHBondContact OD1-CB 3.37Å; D188-R191 WeakPolarHBondContact OD2-CD 3.33Å; D188-R191 IonicContact OD2-NE 3.86Å; D188-R191 IonicContact OD2-NH1 2.94Å; D188-R191 PolarHBondContact OD2-NH1 2.92Å; D188-I192 VanDerWaalsContact O-CG1 3.29Å; D188-I192 WeakPolarHBondContact O-CG1 3.23Å; D188-I192 PolarHBondContact O-N 3.2Å
189	E	57.2	Low	72.6	Confident	146 Å²	146	60 Å²	60	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-58.9	-38.6	167.7	-71.8	-175.4	175.3	0	0	110.8	V187 I192 M193	V187-E189 PolarHBondContact O-N 2.92Å; E189-I192 PolarHBondContact O-N 3.43Å; E189-M193 WeakPolarHBondContact O-CG 3.46Å; E189-M193 PolarHBondContact O-N 2.93Å
190	Q	55	Low	71.9	Confident	52 Å²	52	67.2 Å²	67.2	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-43.8	174.6	-74	-163.7	-29	0	0	112.1	D165 D188 I192 M193 L194	D165-Q190 PolarHBondContact OD2-NE2 3.48Å; D188-Q190 PolarHBondContact O-N 2.87Å; Q190-I192 VanDerWaalsContact C-N 3.32Å; Q190-I192 PolarHBondContact O-N 3.41Å; Q190-M193 CarbonylContact O-C 3.44Å; Q190-M193 PolarHBondContact O-N 3.26Å; Q190-M193 VanDerWaalsContact O-N 3.11Å; Q190-L194 WeakPolarHBondContact O-CB 3.26Å; Q190-L194 WeakPolarHBondContact O-CG 3.4Å; Q190-L194 PolarHBondContact O-N 3.35Å
191	R	62.7	Low	71.2	Confident	53 Å²	53	68.8 Å²	68.8	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-46.8	174.7	177.2	-173.5	170.4	172.7	2.3	111.2	D188 M193 L194 E195 L218 L221	D188-R191 HydrophobicContact CB-CB 3.83Å; D188-R191 PolarHBondContact O-N 3.44Å; D188-R191 WeakPolarHBondContact OD1-CB 3.37Å; D188-R191 WeakPolarHBondContact OD2-CD 3.33Å; D188-R191 IonicContact OD2-NE 3.86Å; D188-R191 IonicContact OD2-NH1 2.94Å; D188-R191 PolarHBondContact OD2-NH1 2.92Å; R191-M193 PolarHBondContact O-N 3Å; R191-L194 PolarHBondContact O-N 2.89Å; R191-L194 VanDerWaalsContact O-N 3.16Å; R191-E195 HydrophobicContact CG-CG 4.13Å; R191-E195 IonicContact CZ-OE1 2.66Å; R191-E195 IonicContact NE-OE1 3.52Å; R191-E195 PolarHBondContact NE-OE1 2.87Å; R191-E195 IonicContact NH2-OE1 3.9Å; R191-E195 PolarHBondContact NH2-OE1 3.31Å; R191-E195 WeakPolarHBondContact O-CB 3.24Å; R191-E195 VanDerWaalsContact O-CG 3.29Å; R191-E195 WeakPolarHBondContact O-CG 3.47Å; R191-E195 PolarHBondContact O-N 3.44Å; R191-L218 HydrophobicContact CG-CD2 4.16Å; R191-L221 HydrophobicContact CB-CD1 4.34Å
192	I	61.1	Low	70.4	Confident	84 Å²	84	70 Å²	70	43%	0.431	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-34.7	177.9	-66.1	164.4	0	0	0	111.1	D188 E189 Q190 K196	D188-I192 VanDerWaalsContact O-CG1 3.29Å; D188-I192 WeakPolarHBondContact O-CG1 3.23Å; D188-I192 PolarHBondContact O-N 3.2Å; E189-I192 PolarHBondContact O-N 3.43Å; Q190-I192 VanDerWaalsContact C-N 3.32Å; Q190-I192 PolarHBondContact O-N 3.41Å; I192-K196 WeakPolarHBondContact O-CD 3.31Å; I192-K196 VanDerWaalsContact O-CG 3.28Å; I192-K196 WeakPolarHBondContact O-CG 3.43Å; I192-K196 PolarHBondContact O-N 3.19Å
193	M	64.9	Low	69.8	Low	127 Å²	127	73.9 Å²	73.9	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-72.6	-45.4	174.4	-70.5	-165.1	-169.3	0	0	112.5	E189 Q190 R191 E195 K196 E197	E189-M193 WeakPolarHBondContact O-CG 3.46Å; E189-M193 PolarHBondContact O-N 2.93Å; Q190-M193 CarbonylContact O-C 3.44Å; Q190-M193 PolarHBondContact O-N 3.26Å; Q190-M193 VanDerWaalsContact O-N 3.11Å; R191-M193 PolarHBondContact O-N 3Å; M193-E195 VanDerWaalsContact C-N 3.35Å; M193-E195 PolarHBondContact O-N 3.11Å; M193-K196 PolarHBondContact O-N 2.93Å; M193-E197 WeakPolarHBondContact O-CB 3.22Å; M193-E197 PolarHBondContact O-N 3.42Å
194	L	65.1	Low	69.2	Low	30 Å²	30	80.2 Å²	80.2	16%	0.157	38%	0.377	C	S	.	.	H	α-helix	trans	-66.1	-36.4	179.6	-65.7	167.8	0	0	0	111.5	Q190 R191 E197 A198 L214 R217 L218 L221	Q190-L194 WeakPolarHBondContact O-CB 3.26Å; Q190-L194 WeakPolarHBondContact O-CG 3.4Å; Q190-L194 PolarHBondContact O-N 3.35Å; R191-L194 PolarHBondContact O-N 2.89Å; R191-L194 VanDerWaalsContact O-N 3.16Å; L194-E197 PolarHBondContact O-N 3.14Å; L194-A198 WeakPolarHBondContact O-CB 3.19Å; L194-A198 PolarHBondContact O-N 3.12Å; L194-L214 HydrophobicContact CB-CD2 4.1Å; L194-L214 HydrophobicContact CD2-CD2 3.3Å; L194-L214 HydrophobicContact CG-CD2 4.25Å; L194-R217 HydrophobicContact CD1-CG 3.84Å; L194-L218 HydrophobicContact CB-CD2 3.91Å; L194-L218 HydrophobicContact CB-CG 4.39Å; L194-L221 HydrophobicContact CD1-CD1 3.93Å
195	E	65.4	Low	68.4	Low	68 Å²	68	85.2 Å²	85.2	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-61.1	-46.4	171.9	-75.7	175.4	170.6	0	0	110.4	R191 M193 E199 L218	R191-E195 HydrophobicContact CG-CG 4.13Å; R191-E195 IonicContact CZ-OE1 2.66Å; R191-E195 IonicContact NE-OE1 3.52Å; R191-E195 PolarHBondContact NE-OE1 2.87Å; R191-E195 IonicContact NH2-OE1 3.9Å; R191-E195 PolarHBondContact NH2-OE1 3.31Å; R191-E195 WeakPolarHBondContact O-CB 3.24Å; R191-E195 VanDerWaalsContact O-CG 3.29Å; R191-E195 WeakPolarHBondContact O-CG 3.47Å; R191-E195 PolarHBondContact O-N 3.44Å; M193-E195 VanDerWaalsContact C-N 3.35Å; M193-E195 PolarHBondContact O-N 3.11Å; E195-E199 WeakPolarHBondContact O-CB 3.3Å; E195-E199 VanDerWaalsContact O-CG 3.31Å; E195-E199 WeakPolarHBondContact O-CG 3.48Å; E195-E199 PolarHBondContact O-N 3.34Å; E195-L218 HydrophobicContact CG-CD1 4.34Å; E195-L218 HydrophobicContact CG-CD2 3.61Å
196	K	71.4	Confident	67.4	Low	134 Å²	134	87 Å²	87	58%	0.583	42%	0.421	S	S	*	.	H	α-helix	trans	-66.8	-37.3	176.8	-74.7	173.2	-176.3	172.6	0	113.2	I192 M193 R200	I192-K196 WeakPolarHBondContact O-CD 3.31Å; I192-K196 VanDerWaalsContact O-CG 3.28Å; I192-K196 WeakPolarHBondContact O-CG 3.43Å; I192-K196 PolarHBondContact O-N 3.19Å; M193-K196 PolarHBondContact O-N 2.93Å; K196-R200 WeakPolarHBondContact O-CB 3.25Å; K196-R200 PolarHBondContact O-N 2.89Å
197	E	71.3	Confident	66.8	Low	103 Å²	103	90.8 Å²	90.8	48%	0.481	44%	0.439	S	S	.	.	H	α-helix	trans	-73.5	-39.8	179.1	-171.1	167.2	-169.1	0	0	111.3	M193 L194 R200 L201 L214	M193-E197 WeakPolarHBondContact O-CB 3.22Å; M193-E197 PolarHBondContact O-N 3.42Å; L194-E197 PolarHBondContact O-N 3.14Å; E197-R200 WeakPolarHBondContact O-CB 3.08Å; E197-R200 PolarHBondContact O-N 2.98Å; E197-L201 HydrophobicContact CG-CD1 4.09Å; E197-L201 WeakPolarHBondContact O-CB 3.38Å; E197-L201 WeakPolarHBondContact O-CG 3.48Å; E197-L201 PolarHBondContact O-N 3.47Å; E197-L214 HydrophobicContact CG-CD1 4.23Å
198	A	67.3	Low	67	Low	2 Å²	2	91.6 Å²	91.6	2%	0.017	45%	0.445	C	S	.	.	H	α-helix	trans	-62.2	-43.9	170.5	0	0	0	0	0	111.4	L194 R200 L201 A202 L211 L214 Y215 L218	L194-A198 WeakPolarHBondContact O-CB 3.19Å; L194-A198 PolarHBondContact O-N 3.12Å; A198-R200 VanDerWaalsContact C-N 3.31Å; A198-R200 PolarHBondContact O-N 2.65Å; A198-L201 PolarHBondContact O-N 2.82Å; A198-A202 WeakPolarHBondContact O-CB 3.46Å; A198-A202 PolarHBondContact O-N 3.17Å; A198-L211 HydrophobicContact CB-CD1 4.09Å; A198-L211 WeakPolarHBondContact O-CD1 3.26Å; A198-L214 HydrophobicContact CB-CB 4.4Å; A198-Y215 HydrophobicContact CB-CE1 4.36Å; A198-L218 HydrophobicContact CB-CD1 3.83Å
199	E	74.6	Confident	67.5	Low	131 Å²	131	97.8 Å²	97.8	61%	0.612	47%	0.473	S	S	*	.	H	α-helix	trans	-59.2	-40.6	173.3	-80.6	-180	175.6	0	0	112.2	E195 H203	E195-E199 WeakPolarHBondContact O-CB 3.3Å; E195-E199 VanDerWaalsContact O-CG 3.31Å; E195-E199 WeakPolarHBondContact O-CG 3.48Å; E195-E199 PolarHBondContact O-N 3.34Å; E199-H203 PolarHBondContact O-N 3.4Å
200	R	76.9	Confident	67.9	Low	169 Å²	169	97.3 Å²	97.3	64%	0.638	47%	0.469	S	S	*	.	H	α-helix	trans	-65.9	-50.4	176.9	-171.2	-169.3	-150.8	156.7	10.5	111.9	K196 E197 A198 H203 E204	K196-R200 WeakPolarHBondContact O-CB 3.25Å; K196-R200 PolarHBondContact O-N 2.89Å; E197-R200 WeakPolarHBondContact O-CB 3.08Å; E197-R200 PolarHBondContact O-N 2.98Å; A198-R200 VanDerWaalsContact C-N 3.31Å; A198-R200 PolarHBondContact O-N 2.65Å; R200-H203 WeakPolarHBondContact O-CB 3.35Å; R200-H203 PolarHBondContact O-N 3Å; R200-H203 VanDerWaalsContact O-N 3.11Å; R200-E204 IonicContact NE-OE1 2.69Å; R200-E204 PolarHBondContact O-N 2.84Å
201	L	74.8	Confident	68.6	Low	33 Å²	33	95 Å²	95	17%	0.173	46%	0.458	C	S	.	.	H	α-helix	trans	-66.7	-37.2	-178.4	-75.4	167.5	0	0	0	111.5	E197 A198 H203 E204 D205 L211 L214	E197-L201 HydrophobicContact CG-CD1 4.09Å; E197-L201 WeakPolarHBondContact O-CB 3.38Å; E197-L201 WeakPolarHBondContact O-CG 3.48Å; E197-L201 PolarHBondContact O-N 3.47Å; A198-L201 PolarHBondContact O-N 2.82Å; L201-H203 PolarHBondContact O-N 2.95Å; L201-E204 PolarHBondContact O-N 2.82Å; L201-D205 CarbonylContact O-C 3.44Å; L201-D205 PolarHBondContact O-N 3.29Å; L201-D205 VanDerWaalsContact O-O 3.12Å; L201-L211 HydrophobicContact CB-CD1 4.01Å; L201-L214 HydrophobicContact CD1-CD1 3.38Å
202	A	73.7	Confident	68.9	Low	31 Å²	31	98.9 Å²	98.9	26%	0.256	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-28	172.2	0	0	0	0	0	113	A198 L211	A198-A202 WeakPolarHBondContact O-CB 3.46Å; A198-A202 PolarHBondContact O-N 3.17Å; A202-L211 HydrophobicContact CB-CD1 4.27Å; A202-L211 HydrophobicContact CB-CD2 4.07Å
203	H	75.3	Confident	69.4	Low	175 Å²	175	100.7 Å²	100.7	81%	0.81	49%	0.487	S	S	*	.	H	α-helix	trans	-81.7	-29.7	173.8	-85.2	-28.6	0	0	0	114.1	E199 R200 L201	E199-H203 PolarHBondContact O-N 3.4Å; R200-H203 WeakPolarHBondContact O-CB 3.35Å; R200-H203 PolarHBondContact O-N 3Å; R200-H203 VanDerWaalsContact O-N 3.11Å; L201-H203 PolarHBondContact O-N 2.95Å
204	E	74.2	Confident	69.6	Low	136 Å²	136	95.6 Å²	95.6	64%	0.636	46%	0.462	S	S	*	.	H	α-helix	trans	-86	-46.7	-178.5	-71.4	176.4	-172.2	0	0	112.1	R200 L201	R200-E204 IonicContact NE-OE1 2.69Å; R200-E204 PolarHBondContact O-N 2.84Å; L201-E204 PolarHBondContact O-N 2.82Å
205	D	69.4	Low	69.9	Low	104 Å²	104	99.4 Å²	99.4	56%	0.556	48%	0.475	S	S	*	.			trans	-157.4	108.4	178.8	-161.2	-5.4	0	0	0	112	L201 E207 C208	L201-D205 CarbonylContact O-C 3.44Å; L201-D205 PolarHBondContact O-N 3.29Å; L201-D205 VanDerWaalsContact O-O 3.12Å; D205-E207 PolarHBondContact O-N 2.81Å; D205-C208 PolarHBondContact O-N 3.13Å
206	S	62	Low	70.2	Confident	92 Å²	92	102.2 Å²	102.2	64%	0.643	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.4	-170.2	-169.5	0	0	0	0	114.5
207	E	59	Low	70	Confident	185 Å²	185	97 Å²	97	86%	0.864	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	15.3	-179.7	-64.5	-169.4	169.3	0	0	113.3	D205 E209	D205-E207 PolarHBondContact O-N 2.81Å; E207-E209 PolarHBondContact O-N 2.99Å
208	C	66.3	Low	69.9	Low	39 Å²	39	93.3 Å²	93.3	26%	0.264	45%	0.448	S	S	.	.			trans	-66.9	128.5	-179.5	-168	0	0	0	0	112.1	D205 K210 L211 M212	D205-C208 PolarHBondContact O-N 3.13Å; C208-K210 PolarHBondContact O-N 2.88Å; C208-L211 HydrophobicContact CB-CB 4.16Å; C208-L211 WeakPolarHBondContact O-CA 3.48Å; C208-L211 VanDerWaalsContact O-CB 3.24Å; C208-L211 WeakPolarHBondContact O-CB 3.26Å; C208-L211 PolarHBondContact O-N 3.24Å; C208-M212 PolarHBondContact O-N 2.82Å
209	E	69.5	Low	69.9	Low	159 Å²	159	100.4 Å²	100.4	74%	0.743	48%	0.481	S	S	*	.	H	α-helix	trans	-55.8	-36.1	176.9	-165.5	172.1	-163.9	0	0	112.3	E207 L211 M212 E213	E207-E209 PolarHBondContact O-N 2.99Å; E209-L211 VanDerWaalsContact C-N 3.3Å; E209-L211 PolarHBondContact O-N 3.2Å; E209-M212 WeakPolarHBondContact O-CB 3.32Å; E209-M212 PolarHBondContact O-N 3.31Å; E209-E213 PolarHBondContact O-N 3.37Å; E209-E213 VanDerWaalsContact O-N 3.13Å
210	K	65.4	Low	69.4	Low	136 Å²	136	98.6 Å²	98.6	59%	0.591	47%	0.472	S	S	*	.	H	α-helix	trans	-64.4	-30.9	173.8	-66	-178	177.6	-178.2	0	113.7	C208 M212 L214	C208-K210 PolarHBondContact O-N 2.88Å; K210-M212 VanDerWaalsContact C-N 3.33Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 WeakPolarHBondContact O-CG 3.38Å; K210-L214 PolarHBondContact O-N 2.92Å
211	L	69.9	Low	68.7	Low	5 Å²	5	91 Å²	91	3%	0.026	45%	0.445	C	S	.	.	H	α-helix	trans	-69.5	-36.4	176.6	-178.2	65.3	0	0	0	110.4	A198 L201 A202 C208 E209 L214 Y215	A198-L211 HydrophobicContact CB-CD1 4.09Å; A198-L211 WeakPolarHBondContact O-CD1 3.26Å; L201-L211 HydrophobicContact CB-CD1 4.01Å; A202-L211 HydrophobicContact CB-CD1 4.27Å; A202-L211 HydrophobicContact CB-CD2 4.07Å; C208-L211 HydrophobicContact CB-CB 4.16Å; C208-L211 WeakPolarHBondContact O-CA 3.48Å; C208-L211 VanDerWaalsContact O-CB 3.24Å; C208-L211 WeakPolarHBondContact O-CB 3.26Å; C208-L211 PolarHBondContact O-N 3.24Å; E209-L211 VanDerWaalsContact C-N 3.3Å; E209-L211 PolarHBondContact O-N 3.2Å; L211-L214 PolarHBondContact O-N 2.85Å; L211-Y215 HydrophobicContact CD1-CD2 4.11Å; L211-Y215 HydrophobicContact CD1-CE2 3.62Å; L211-Y215 HydrophobicContact CD2-CE2 3.94Å; L211-Y215 HydrophobicContact CG-CD2 3.85Å; L211-Y215 HydrophobicContact CG-CE2 3.54Å; L211-Y215 VanDerWaalsContact O-CD2 3.29Å; L211-Y215 WeakPolarHBondContact O-CD2 3.34Å; L211-Y215 PolarHBondContact O-N 2.96Å
212	M	70.4	Confident	68.2	Low	133 Å²	133	92.9 Å²	92.9	66%	0.655	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-44	174.7	-157.1	173.3	-67.8	0	0	111.2	C208 E209 K210 L214 Y215 E216	C208-M212 PolarHBondContact O-N 2.82Å; E209-M212 WeakPolarHBondContact O-CB 3.32Å; E209-M212 PolarHBondContact O-N 3.31Å; K210-M212 VanDerWaalsContact C-N 3.33Å; M212-L214 VanDerWaalsContact C-N 3.3Å; M212-L214 PolarHBondContact O-N 2.94Å; M212-Y215 PolarHBondContact O-N 3.13Å; M212-E216 WeakPolarHBondContact O-CG 3.41Å; M212-E216 PolarHBondContact O-N 3.21Å
213	E	69.8	Low	67.4	Low	123 Å²	123	93.5 Å²	93.5	58%	0.575	46%	0.46	S	S	*	.	H	α-helix	trans	-60.4	-37.9	172.3	-67.7	-178.3	166.6	0	0	112.5	E209 R217	E209-E213 PolarHBondContact O-N 3.37Å; E209-E213 VanDerWaalsContact O-N 3.13Å; E213-R217 VanDerWaalsContact O-CB 3.31Å; E213-R217 WeakPolarHBondContact O-CB 3.42Å; E213-R217 PolarHBondContact O-N 3.01Å
214	L	70.5	Confident	66.7	Low	19 Å²	19	92 Å²	92	10%	0.099	46%	0.458	C	S	.	.	H	α-helix	trans	-67.6	-42.5	175.7	-86	163	0	0	0	112.4	L194 E197 A198 L201 K210 L211 M212 R217 L218	L194-L214 HydrophobicContact CB-CD2 4.1Å; L194-L214 HydrophobicContact CD2-CD2 3.3Å; L194-L214 HydrophobicContact CG-CD2 4.25Å; E197-L214 HydrophobicContact CG-CD1 4.23Å; A198-L214 HydrophobicContact CB-CB 4.4Å; L201-L214 HydrophobicContact CD1-CD1 3.38Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 WeakPolarHBondContact O-CG 3.38Å; K210-L214 PolarHBondContact O-N 2.92Å; L211-L214 PolarHBondContact O-N 2.85Å; M212-L214 VanDerWaalsContact C-N 3.3Å; M212-L214 PolarHBondContact O-N 2.94Å; L214-R217 CarbonylContact O-C 3.52Å; L214-R217 WeakPolarHBondContact O-CB 3.31Å; L214-R217 PolarHBondContact O-N 2.99Å; L214-L218 WeakPolarHBondContact O-CG 3.16Å; L214-L218 PolarHBondContact O-N 3.19Å
215	Y	70.9	Confident	66.7	Low	111 Å²	111	92.1 Å²	92.1	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-67.1	-41.2	175.7	-78.5	-50.1	0	0	0	112.1	A198 L211 M212 R217 L218 E219	A198-Y215 HydrophobicContact CB-CE1 4.36Å; L211-Y215 HydrophobicContact CD1-CD2 4.11Å; L211-Y215 HydrophobicContact CD1-CE2 3.62Å; L211-Y215 HydrophobicContact CD2-CE2 3.94Å; L211-Y215 HydrophobicContact CG-CD2 3.85Å; L211-Y215 HydrophobicContact CG-CE2 3.54Å; L211-Y215 VanDerWaalsContact O-CD2 3.29Å; L211-Y215 WeakPolarHBondContact O-CD2 3.34Å; L211-Y215 PolarHBondContact O-N 2.96Å; M212-Y215 PolarHBondContact O-N 3.13Å; Y215-R217 PolarHBondContact O-N 2.95Å; Y215-L218 HydrophobicContact CD1-CD1 4.3Å; Y215-L218 PolarHBondContact O-N 2.86Å; Y215-E219 WeakPolarHBondContact O-CB 3.26Å; Y215-E219 WeakPolarHBondContact O-CG 3.36Å; Y215-E219 PolarHBondContact O-N 3.23Å
216	E	71.1	Confident	67.1	Low	127 Å²	127	87.8 Å²	87.8	59%	0.593	44%	0.435	S	S	*	.	H	α-helix	trans	-56.9	-41.6	170	-75.2	-173.7	174.6	0	0	110.9	M212 E219 E220	M212-E216 WeakPolarHBondContact O-CG 3.41Å; M212-E216 PolarHBondContact O-N 3.21Å; E216-E219 PolarHBondContact O-N 3.01Å; E216-E220 WeakPolarHBondContact O-CG 3.32Å; E216-E220 PolarHBondContact O-N 2.81Å
217	R	68.9	Low	68.1	Low	23 Å²	23	88.5 Å²	88.5	9%	0.087	43%	0.428	C	S	.	.	H	α-helix	trans	-67.8	-36.3	177.5	-174.2	56.8	175.4	177.9	2.3	113.2	L194 E213 L214 Y215 E220 L221 I267 K268	L194-R217 HydrophobicContact CD1-CG 3.84Å; E213-R217 VanDerWaalsContact O-CB 3.31Å; E213-R217 WeakPolarHBondContact O-CB 3.42Å; E213-R217 PolarHBondContact O-N 3.01Å; L214-R217 CarbonylContact O-C 3.52Å; L214-R217 WeakPolarHBondContact O-CB 3.31Å; L214-R217 PolarHBondContact O-N 2.99Å; Y215-R217 PolarHBondContact O-N 2.95Å; R217-E220 IonicContact CZ-OE2 4Å; R217-E220 IonicContact NH1-OE2 2.7Å; R217-E220 PolarHBondContact NH1-OE2 2.7Å; R217-E220 WeakPolarHBondContact O-CB 3.36Å; R217-E220 PolarHBondContact O-N 3.05Å; R217-L221 HydrophobicContact CG-CD1 4.36Å; R217-L221 WeakPolarHBondContact O-CD1 3.22Å; R217-L221 VanDerWaalsContact O-CG 3.27Å; R217-L221 WeakPolarHBondContact O-CG 3.36Å; R217-L221 PolarHBondContact O-N 2.9Å; R217-I267 PolarHBondContact NH2-O 2.84Å; R217-K268 PolarHBondContact NH2-O 3.43Å
218	L	68.1	Low	69.4	Low	26 Å²	26	86.2 Å²	86.2	14%	0.136	42%	0.419	C	S	.	.	H	α-helix	trans	-72.1	-38.4	175.8	-74.4	171.2	0	0	0	111.7	R191 L194 E195 A198 L214 Y215 E220 L221 D222	R191-L218 HydrophobicContact CG-CD2 4.16Å; L194-L218 HydrophobicContact CB-CD2 3.91Å; L194-L218 HydrophobicContact CB-CG 4.39Å; E195-L218 HydrophobicContact CG-CD1 4.34Å; E195-L218 HydrophobicContact CG-CD2 3.61Å; A198-L218 HydrophobicContact CB-CD1 3.83Å; L214-L218 WeakPolarHBondContact O-CG 3.16Å; L214-L218 PolarHBondContact O-N 3.19Å; Y215-L218 HydrophobicContact CD1-CD1 4.3Å; Y215-L218 PolarHBondContact O-N 2.86Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.1Å; L218-L221 CarbonylContact O-C 3.6Å; L218-L221 WeakPolarHBondContact O-CA 2.89Å; L218-L221 PolarHBondContact O-N 3.38Å; L218-D222 PolarHBondContact O-N 2.93Å; L218-D222 VanDerWaalsContact O-N 3.16Å
219	E	66.4	Low	70.3	Confident	151 Å²	151	86.5 Å²	86.5	71%	0.706	42%	0.415	S	S	*	.	H	α-helix	trans	-63.6	-34	171.2	-76.2	-172.6	176.2	0	0	112.1	Y215 E216 L221 D222	Y215-E219 WeakPolarHBondContact O-CB 3.26Å; Y215-E219 WeakPolarHBondContact O-CG 3.36Å; Y215-E219 PolarHBondContact O-N 3.23Å; E216-E219 PolarHBondContact O-N 3.01Å; E219-L221 PolarHBondContact O-N 2.95Å; E219-D222 WeakPolarHBondContact O-CB 3.2Å; E219-D222 PolarHBondContact O-N 3.32Å
220	E	64.7	Low	71.3	Confident	93 Å²	93	79 Å²	79	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-25.1	170.5	-77.3	-170.4	159.4	0	0	113.4	E216 R217 L218 R229	E216-E220 WeakPolarHBondContact O-CG 3.32Å; E216-E220 PolarHBondContact O-N 2.81Å; R217-E220 IonicContact CZ-OE2 4Å; R217-E220 IonicContact NH1-OE2 2.7Å; R217-E220 PolarHBondContact NH1-OE2 2.7Å; R217-E220 WeakPolarHBondContact O-CB 3.36Å; R217-E220 PolarHBondContact O-N 3.05Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.1Å; E220-R229 PolarHBondContact O-NH1 2.99Å
221	L	63.6	Low	72.5	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.058	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	7.2	-176.2	-67.5	170.1	0	0	0	113.1	R191 L194 R217 L218 E219	R191-L221 HydrophobicContact CB-CD1 4.34Å; L194-L221 HydrophobicContact CD1-CD1 3.93Å; R217-L221 HydrophobicContact CG-CD1 4.36Å; R217-L221 WeakPolarHBondContact O-CD1 3.22Å; R217-L221 VanDerWaalsContact O-CG 3.27Å; R217-L221 WeakPolarHBondContact O-CG 3.36Å; R217-L221 PolarHBondContact O-N 2.9Å; L218-L221 CarbonylContact O-C 3.6Å; L218-L221 WeakPolarHBondContact O-CA 2.89Å; L218-L221 PolarHBondContact O-N 3.38Å; E219-L221 PolarHBondContact O-N 2.95Å
222	D	63.4	Low	73.5	Confident	71 Å²	71	80.6 Å²	80.6	38%	0.38	39%	0.388	S	S	.	.			trans	-52.6	133.6	-170.4	-160.1	9.5	0	0	0	114.4	L218 E219 D224 K225 A226	L218-D222 PolarHBondContact O-N 2.93Å; L218-D222 VanDerWaalsContact O-N 3.16Å; E219-D222 WeakPolarHBondContact O-CB 3.2Å; E219-D222 PolarHBondContact O-N 3.32Å; D222-D224 PolarHBondContact O-N 3.02Å; D222-K225 PolarHBondContact O-N 3.36Å; D222-A226 PolarHBondContact O-N 3.35Å; D222-A226 VanDerWaalsContact O-N 3.08Å
223	A	57.3	Low	74.6	Confident	44 Å²	44	74.4 Å²	74.4	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-38.7	-166.3	0	0	0	0	0	113.5	K225 A226	A223-K225 PolarHBondContact O-N 3.06Å; A223-A226 VanDerWaalsContact O-CB 3.32Å; A223-A226 WeakPolarHBondContact O-CB 3.48Å; A223-A226 PolarHBondContact O-N 3.36Å; A223-A226 VanDerWaalsContact O-N 3.12Å
224	D	60.9	Low	75.7	Confident	145 Å²	145	68.6 Å²	68.6	78%	0.775	33%	0.33	S	S	*	.	H	α-helix	trans	-70	-22.1	-174.7	-67.1	-19.2	0	0	0	111.8	D222	D222-D224 PolarHBondContact O-N 3.02Å
225	K	74.1	Confident	76.7	Confident	138 Å²	138	71.9 Å²	71.9	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-100.7	-11.1	174	-65.8	175.8	-173.8	162.3	0	112.8	D222 A223 E227 M228 R229	D222-K225 PolarHBondContact O-N 3.36Å; A223-K225 PolarHBondContact O-N 3.06Å; K225-E227 PolarHBondContact O-N 3.28Å; K225-M228 PolarHBondContact O-N 3.23Å; K225-R229 VanDerWaalsContact O-CB 3.27Å; K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 3.31Å
226	A	76.5	Confident	77.6	Confident	12 Å²	12	67.1 Å²	67.1	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-45.4	-175.7	0	0	0	0	0	112	D222 A223 R229 A230 F266	D222-A226 PolarHBondContact O-N 3.35Å; D222-A226 VanDerWaalsContact O-N 3.08Å; A223-A226 VanDerWaalsContact O-CB 3.32Å; A223-A226 WeakPolarHBondContact O-CB 3.48Å; A223-A226 PolarHBondContact O-N 3.36Å; A223-A226 VanDerWaalsContact O-N 3.12Å; A226-R229 PolarHBondContact O-N 3.35Å; A226-A230 VanDerWaalsContact O-CB 3.29Å; A226-A230 WeakPolarHBondContact O-CB 3.46Å; A226-A230 PolarHBondContact O-N 2.82Å; A226-F266 HydrophobicContact CB-CE2 4.43Å; A226-F266 HydrophobicContact CB-CZ 4.02Å
227	E	83.6	Confident	78.6	Confident	108 Å²	108	61.1 Å²	61.1	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-46.7	178.3	-173.8	174.6	-175.8	0	0	111.5	L181 M185 K225 R229 A230 S231	L181-E227 HydrophobicContact CD2-CG 3.82Å; L181-E227 WeakPolarHBondContact CD2-OE1 3.37Å; M185-E227 HydrophobicContact SD-CB 3.91Å; M185-E227 HydrophobicContact SD-CG 4.14Å; K225-E227 PolarHBondContact O-N 3.28Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 PolarHBondContact O-N 3.48Å; E227-A230 PolarHBondContact O-N 3.49Å; E227-S231 VanDerWaalsContact O-CB 3.24Å; E227-S231 WeakPolarHBondContact O-CB 3.27Å; E227-S231 PolarHBondContact O-N 3.27Å
228	M	86	Confident	79.5	Confident	137 Å²	137	61.5 Å²	61.5	68%	0.675	31%	0.313	S	S	*	.	H	α-helix	trans	-61.3	-40.8	177	-68.6	-153.2	-64.6	0	0	111.9	K225 R232	K225-M228 PolarHBondContact O-N 3.23Å; M228-R232 WeakPolarHBondContact O-CB 3.27Å; M228-R232 PolarHBondContact O-N 2.97Å
229	R	86.1	Confident	80.6	Confident	45 Å²	45	60.3 Å²	60.3	17%	0.17	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-46.7	176.9	177.6	176.4	166.6	177.1	-15.7	111.8	E220 K225 A226 E227 S231 R232 I233 F266	E220-R229 PolarHBondContact O-NH1 2.99Å; K225-R229 VanDerWaalsContact O-CB 3.27Å; K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 3.31Å; A226-R229 PolarHBondContact O-N 3.35Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 PolarHBondContact O-N 3.48Å; R229-S231 VanDerWaalsContact C-N 3.31Å; R229-S231 PolarHBondContact O-N 2.75Å; R229-R232 PolarHBondContact O-N 3.33Å; R229-I233 HydrophobicContact CG-CD1 4.05Å; R229-I233 WeakPolarHBondContact O-CG1 3.24Å; R229-I233 PolarHBondContact O-N 2.93Å; R229-F266 HydrophobicContact CB-CE2 4.39Å; R229-F266 HydrophobicContact CG-CD2 4.23Å; R229-F266 HydrophobicContact CG-CE2 4.24Å; R229-F266 PolarHBondContact NH2-O 3.47Å
230	A	89.3	Confident	81.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.8	0	0	0	0	0	110.9	L181 V184 M185 A226 E227 I233 L234 F266	L181-A230 HydrophobicContact CD1-CB 3.78Å; V184-A230 HydrophobicContact CB-CB 4.33Å; V184-A230 HydrophobicContact CG1-CB 3.79Å; M185-A230 HydrophobicContact CG-CB 3.92Å; A226-A230 VanDerWaalsContact O-CB 3.29Å; A226-A230 WeakPolarHBondContact O-CB 3.46Å; A226-A230 PolarHBondContact O-N 2.82Å; E227-A230 PolarHBondContact O-N 3.49Å; A230-I233 PolarHBondContact O-N 3.09Å; A230-L234 WeakPolarHBondContact O-CB 3.38Å; A230-L234 WeakPolarHBondContact O-CG 3.24Å; A230-L234 PolarHBondContact O-N 3.17Å; A230-F266 HydrophobicContact CB-CD2 4.05Å; A230-F266 HydrophobicContact CB-CE2 4.01Å
231	S	91.3	Very high	82.9	Confident	40 Å²	40	54.6 Å²	54.6	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-42.8	175.1	-174.8	0	0	0	0	112.2	E227 R229 L234 H235 Q244	E227-S231 VanDerWaalsContact O-CB 3.24Å; E227-S231 WeakPolarHBondContact O-CB 3.27Å; E227-S231 PolarHBondContact O-N 3.27Å; R229-S231 VanDerWaalsContact C-N 3.31Å; R229-S231 PolarHBondContact O-N 2.75Å; S231-L234 PolarHBondContact O-N 3.03Å; S231-H235 VanDerWaalsContact O-CB 3.25Å; S231-H235 WeakPolarHBondContact O-CB 3.45Å; S231-H235 PolarHBondContact O-N 3.39Å; S231-Q244 PolarHBondContact O-NE2 2.9Å; S231-Q244 VanDerWaalsContact O-NE2 3.15Å; S231-Q244 PolarHBondContact OG-OE1 3Å
232	R	91.6	Very high	84.1	Confident	136 Å²	136	59.3 Å²	59.3	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-46.8	175.1	-170.2	-170.2	86.4	-179.8	9.2	112	M228 R229 H235 G236 E292	M228-R232 WeakPolarHBondContact O-CB 3.27Å; M228-R232 PolarHBondContact O-N 2.97Å; R229-R232 PolarHBondContact O-N 3.33Å; R232-H235 PolarHBondContact O-N 3.18Å; R232-G236 PolarHBondContact O-N 3.11Å; R232-E292 IonicContact CZ-OE1 3.12Å; R232-E292 IonicContact NE-OE1 2.81Å; R232-E292 IonicContact NH2-OE1 3.86Å; R232-E292 PolarHBondContact NH2-OE1 3Å; R232-E292 IonicContact NH2-OE2 3.57Å
233	I	92.3	Very high	85.4	Confident	3 Å²	3	58 Å²	58	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-46.9	179.2	-68.9	168.9	0	0	0	110.5	R229 A230 H235 G236 L237 A262 L265 F266 W288	R229-I233 HydrophobicContact CG-CD1 4.05Å; R229-I233 WeakPolarHBondContact O-CG1 3.24Å; R229-I233 PolarHBondContact O-N 2.93Å; A230-I233 PolarHBondContact O-N 3.09Å; I233-H235 VanDerWaalsContact C-N 3.35Å; I233-H235 PolarHBondContact O-N 3.16Å; I233-G236 PolarHBondContact O-N 2.84Å; I233-L237 HydrophobicContact CG2-CD1 4.22Å; I233-L237 WeakPolarHBondContact O-CG 3.3Å; I233-L237 PolarHBondContact O-N 3.06Å; I233-A262 HydrophobicContact CG2-CB 3.79Å; I233-L265 HydrophobicContact CD1-CB 4.45Å; I233-L265 HydrophobicContact CG2-CB 4.21Å; I233-L265 HydrophobicContact CG2-CD1 4.28Å; I233-F266 HydrophobicContact CD1-CB 4.15Å; I233-F266 HydrophobicContact CD1-CD2 4.25Å; I233-W288 HydrophobicContact CB-CH2 4.05Å; I233-W288 HydrophobicContact CG1-CH2 4.11Å; I233-W288 HydrophobicContact CG1-CZ2 4.49Å; I233-W288 HydrophobicContact CG2-CH2 3.91Å
234	L	92.8	Very high	87	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-43.2	176.4	-76.3	170.5	0	0	0	111.3	A180 L181 V184 A230 S231 G236 L237 G238 F239 Q244 A262	A180-L234 HydrophobicContact CB-CD1 4.47Å; L181-L234 HydrophobicContact CB-CD1 4.35Å; L181-L234 HydrophobicContact CD1-CD1 4.02Å; V184-L234 HydrophobicContact CG2-CD1 4.08Å; V184-L234 HydrophobicContact CG2-CD2 4.05Å; V184-L234 HydrophobicContact CG2-CG 4.16Å; A230-L234 WeakPolarHBondContact O-CB 3.38Å; A230-L234 WeakPolarHBondContact O-CG 3.24Å; A230-L234 PolarHBondContact O-N 3.17Å; S231-L234 PolarHBondContact O-N 3.03Å; L234-G236 PolarHBondContact O-N 2.77Å; L234-L237 CarbonylContact O-C 3.57Å; L234-L237 PolarHBondContact O-N 2.77Å; L234-G238 PolarHBondContact O-N 3.04Å; L234-F239 HydrophobicContact CB-CB 4.03Å; L234-F239 HydrophobicContact CB-CD2 4.29Å; L234-F239 HydrophobicContact CB-CG 4.29Å; L234-F239 HydrophobicContact CD2-CD1 4.41Å; L234-F239 HydrophobicContact CD2-CD2 3.8Å; L234-F239 HydrophobicContact CD2-CE2 3.88Å; L234-F239 HydrophobicContact CD2-CG 4.06Å; L234-F239 HydrophobicContact CD2-CZ 4.25Å; L234-F239 VanDerWaalsContact O-CB 3.31Å; L234-F239 WeakPolarHBondContact O-CB 3.34Å; L234-F239 VanDerWaalsContact O-CD2 3.25Å; L234-F239 WeakPolarHBondContact O-CD2 3.48Å; L234-F239 PolarHBondContact O-N 3.07Å; L234-Q244 HydrophobicContact CB-CG 4.02Å; L234-Q244 HydrophobicContact CD1-CG 4.18Å; L234-A262 HydrophobicContact CD2-CB 3.67Å; L234-A262 HydrophobicContact CG-CB 4.24Å
235	H	91.9	Very high	88.5	Confident	88 Å²	88	54.6 Å²	54.6	41%	0.407	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-46.3	176.6	-174.1	-91.8	0	0	0	112.1	S231 R232 I233 L237 G238 F239 Q634	S231-H235 VanDerWaalsContact O-CB 3.25Å; S231-H235 WeakPolarHBondContact O-CB 3.45Å; S231-H235 PolarHBondContact O-N 3.39Å; R232-H235 PolarHBondContact O-N 3.18Å; I233-H235 VanDerWaalsContact C-N 3.35Å; I233-H235 PolarHBondContact O-N 3.16Å; H235-L237 VanDerWaalsContact C-N 3.25Å; H235-L237 PolarHBondContact O-N 3.05Å; H235-G238 WeakPolarHBondContact O-CA 3.1Å; H235-G238 PolarHBondContact O-N 3.38Å; H235-F239 WeakPolarHBondContact CA-O 3.39Å; H235-Q634 PolarHBondContact CE1-OE1 3.49Å; H235-Q634 VanDerWaalsContact CE1-OE1 3.28Å
236	G	90	Very high	89.4	Confident	12 Å²	12	52.3 Å²	52.3	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-30.7	176.3	0	0	0	0	0	114.1	R232 I233 L234 G238 W288	R232-G236 PolarHBondContact O-N 3.11Å; I233-G236 PolarHBondContact O-N 2.84Å; L234-G236 PolarHBondContact O-N 2.77Å; G236-G238 PolarHBondContact O-N 3.49Å; G236-W288 VanDerWaalsContact CA-CD2 3.45Å
237	L	91.3	Very high	90.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.4	172	-65.1	173.4	0	0	0	113.7	I233 L234 H235 F239 R258 L261 A262 L265 L281 W288	I233-L237 HydrophobicContact CG2-CD1 4.22Å; I233-L237 WeakPolarHBondContact O-CG 3.3Å; I233-L237 PolarHBondContact O-N 3.06Å; L234-L237 CarbonylContact O-C 3.57Å; L234-L237 PolarHBondContact O-N 2.77Å; H235-L237 VanDerWaalsContact C-N 3.25Å; H235-L237 PolarHBondContact O-N 3.05Å; L237-F239 HydrophobicContact CB-CD2 4.27Å; L237-F239 HydrophobicContact CB-CE2 4.34Å; L237-R258 WeakPolarHBondContact O-CD 3.43Å; L237-R258 PolarHBondContact O-NH1 2.87Å; L237-L261 HydrophobicContact CD1-CD2 4.43Å; L237-L261 HydrophobicContact CD1-CG 4.36Å; L237-L261 HydrophobicContact CD2-CD2 3.93Å; L237-A262 HydrophobicContact CD1-CB 3.66Å; L237-L265 HydrophobicContact CD1-CD1 4.44Å; L237-L281 HydrophobicContact CD2-CD2 4.24Å; L237-W288 HydrophobicContact CD1-CZ3 4.47Å; L237-W288 HydrophobicContact CD2-CE3 3.95Å; L237-W288 HydrophobicContact CD2-CZ3 3.83Å; L237-W288 HydrophobicContact CG-CE3 4.13Å; L237-W288 HydrophobicContact CG-CZ3 3.74Å
238	G	89.1	Confident	90.5	Very high	32 Å²	32	50.6 Å²	50.6	33%	0.33	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	12.7	173.4	0	0	0	0	0	115.6	L234 H235 G236 W255	L234-G238 PolarHBondContact O-N 3.04Å; H235-G238 WeakPolarHBondContact O-CA 3.1Å; H235-G238 PolarHBondContact O-N 3.38Å; G236-G238 PolarHBondContact O-N 3.49Å; G238-W255 WeakPolarHBondContact O-CH2 3.42Å
239	F	90.8	Very high	90.7	Very high	1 Å²	1	49 Å²	49	0%	0.004	26%	0.259	C	S	.	.			trans	-87	112.6	175.7	-66.5	-105.3	0	0	0	111.4	A180 L234 H235 L237 M243 Q244 F251 W255 R258 V259	A180-F239 HydrophobicContact CB-CD1 4.42Å; A180-F239 HydrophobicContact CB-CE1 4.31Å; L234-F239 HydrophobicContact CB-CB 4.03Å; L234-F239 HydrophobicContact CB-CD2 4.29Å; L234-F239 HydrophobicContact CB-CG 4.29Å; L234-F239 HydrophobicContact CD2-CD1 4.41Å; L234-F239 HydrophobicContact CD2-CD2 3.8Å; L234-F239 HydrophobicContact CD2-CE2 3.88Å; L234-F239 HydrophobicContact CD2-CG 4.06Å; L234-F239 HydrophobicContact CD2-CZ 4.25Å; L234-F239 VanDerWaalsContact O-CB 3.31Å; L234-F239 WeakPolarHBondContact O-CB 3.34Å; L234-F239 VanDerWaalsContact O-CD2 3.25Å; L234-F239 WeakPolarHBondContact O-CD2 3.48Å; L234-F239 PolarHBondContact O-N 3.07Å; H235-F239 WeakPolarHBondContact CA-O 3.39Å; L237-F239 HydrophobicContact CB-CD2 4.27Å; L237-F239 HydrophobicContact CB-CE2 4.34Å; F239-M243 HydrophobicContact CB-CB 4.4Å; F239-M243 HydrophobicContact CD1-CB 4.21Å; F239-Q244 HydrophobicContact CB-CG 3.85Å; F239-Q244 PolarHBondContact O-NE2 3.27Å; F239-Q244 VanDerWaalsContact O-NE2 3.1Å; F239-F251 HydrophobicContact CD1-CE1 4.25Å; F239-F251 HydrophobicContact CD1-CZ 4.09Å; F239-F251 AromaticContact CE1-CE1 3.93Å; F239-F251 HydrophobicContact CE1-CE1 3.93Å; F239-F251 AromaticContact CE1-CZ 3.92Å; F239-F251 HydrophobicContact CE1-CZ 3.92Å; F239-W255 HydrophobicContact CD1-CE3 4.13Å; F239-W255 HydrophobicContact CD1-CZ3 4.24Å; F239-W255 HydrophobicContact CD2-CE3 4.27Å; F239-W255 HydrophobicContact CD2-CZ3 4.01Å; F239-W255 AromaticContact CE1-CE3 3.7Å; F239-W255 HydrophobicContact CE1-CE3 3.7Å; F239-W255 HydrophobicContact CE1-CZ3 4.24Å; F239-W255 AromaticContact CE2-CE3 3.87Å; F239-W255 HydrophobicContact CE2-CE3 3.87Å; F239-W255 HydrophobicContact CE2-CZ3 4.03Å; F239-W255 HydrophobicContact CG-CE3 4.4Å; F239-W255 HydrophobicContact CG-CZ3 4.13Å; F239-W255 AromaticContact CZ-CE3 3.56Å; F239-W255 HydrophobicContact CZ-CE3 3.56Å; F239-W255 HydrophobicContact CZ-CZ3 4.14Å; F239-R258 HydrophobicContact CE2-CB 3.63Å; F239-R258 HydrophobicContact CZ-CB 3.93Å; F239-V259 HydrophobicContact CE1-CG2 3.71Å; F239-V259 HydrophobicContact CE2-CG2 4.4Å; F239-V259 HydrophobicContact CZ-CG2 3.42Å; F239-V259 VanDerWaalsContact CZ-CG2 3.42Å
240	S	88.8	Confident	90.9	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	27%	0.272	S	S	.	.			trans	-62.9	158.8	168.4	65.1	0	0	0	0	112	T242 M243 Q244	S240-T242 PolarHBondContact O-N 2.87Å; S240-T242 VanDerWaalsContact O-N 3.13Å; S240-T242 PolarHBondContact OG-OG1 3.21Å; S240-T242 VanDerWaalsContact OG-OG1 3.12Å; S240-M243 WeakPolarHBondContact O-CA 3.39Å; S240-M243 WeakPolarHBondContact O-CB 3.34Å; S240-M243 PolarHBondContact O-N 2.92Å; S240-M243 WeakPolarHBondContact OG-CG 3.32Å; S240-M243 PolarHBondContact OG-N 2.87Å; S240-M243 PolarHBondContact OG-SD 3.03Å; S240-M243 VanDerWaalsContact OG-SD 3.38Å; S240-Q244 WeakPolarHBondContact O-CG 3.4Å; S240-Q244 PolarHBondContact O-N 2.62Å
241	A	89.2	Confident	90.8	Very high	75 Å²	75	51.6 Å²	51.6	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-54.2	-35.1	179.4	0	0	0	0	0	113.2
242	T	89.7	Confident	90.6	Very high	111 Å²	111	53 Å²	53	68%	0.681	29%	0.286	S	S	*	.	H	α-helix	trans	-70.9	-38.4	175.6	56	0	0	0	0	112	S240 Q245 K246	S240-T242 PolarHBondContact O-N 2.87Å; S240-T242 VanDerWaalsContact O-N 3.13Å; S240-T242 PolarHBondContact OG-OG1 3.21Å; S240-T242 VanDerWaalsContact OG-OG1 3.12Å; T242-Q245 PolarHBondContact O-N 3.48Å; T242-K246 PolarHBondContact O-N 2.97Å
243	M	90.3	Very high	90.1	Very high	43 Å²	43	47.5 Å²	47.5	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-67.3	-36.2	175.9	-69.6	170.5	74.5	0	0	111.9	F239 S240 Q245 K246 F251 W255	F239-M243 HydrophobicContact CB-CB 4.4Å; F239-M243 HydrophobicContact CD1-CB 4.21Å; S240-M243 WeakPolarHBondContact O-CA 3.39Å; S240-M243 WeakPolarHBondContact O-CB 3.34Å; S240-M243 PolarHBondContact O-N 2.92Å; S240-M243 WeakPolarHBondContact OG-CG 3.32Å; S240-M243 PolarHBondContact OG-N 2.87Å; S240-M243 PolarHBondContact OG-SD 3.03Å; S240-M243 VanDerWaalsContact OG-SD 3.38Å; M243-Q245 PolarHBondContact O-N 3.43Å; M243-K246 VanDerWaalsContact O-CB 3.3Å; M243-K246 WeakPolarHBondContact O-CB 3.4Å; M243-K246 PolarHBondContact O-N 3.37Å; M243-F251 HydrophobicContact CB-CE1 4.34Å; M243-F251 HydrophobicContact CB-CZ 4.08Å; M243-F251 HydrophobicContact CE-CE1 3.75Å; M243-F251 VanDerWaalsContact O-CZ 3.29Å; M243-F251 WeakPolarHBondContact O-CZ 3.42Å; M243-W255 HydrophobicContact CE-CD2 3.96Å; M243-W255 HydrophobicContact CE-CE3 3.76Å; M243-W255 HydrophobicContact CE-CH2 3.44Å; M243-W255 VanDerWaalsContact CE-CH2 3.44Å; M243-W255 HydrophobicContact CE-CZ2 3.63Å; M243-W255 HydrophobicContact CE-CZ3 3.5Å; M243-W255 VanDerWaalsContact CE-CZ3 3.5Å
244	Q	92.4	Very high	89.7	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-31.1	178	-67.3	179.4	21.9	0	0	112.7	A180 L181 S231 L234 F239 S240	A180-Q244 PolarHBondContact N-O 3.03Å; L181-Q244 PolarHBondContact N-O 3.41Å; L181-Q244 VanDerWaalsContact N-O 3.11Å; S231-Q244 PolarHBondContact O-NE2 2.9Å; S231-Q244 VanDerWaalsContact O-NE2 3.15Å; S231-Q244 PolarHBondContact OG-OE1 3Å; L234-Q244 HydrophobicContact CB-CG 4.02Å; L234-Q244 HydrophobicContact CD1-CG 4.18Å; F239-Q244 HydrophobicContact CB-CG 3.85Å; F239-Q244 PolarHBondContact O-NE2 3.27Å; F239-Q244 VanDerWaalsContact O-NE2 3.1Å; S240-Q244 WeakPolarHBondContact O-CG 3.4Å; S240-Q244 PolarHBondContact O-N 2.62Å
245	Q	92.2	Very high	89.5	Confident	109 Å²	109	50.9 Å²	50.9	51%	0.509	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.6	177	-61.2	-62.2	-14.7	0	0	113.7	T179 T242 M243	T179-Q245 WeakPolarHBondContact CG2-O 3.18Å; T242-Q245 PolarHBondContact O-N 3.48Å; M243-Q245 PolarHBondContact O-N 3.43Å
246	K	92.6	Very high	89.5	Confident	90 Å²	90	48.4 Å²	48.4	39%	0.391	28%	0.279	S	S	.	.	S	Bend	trans	-75.6	148.4	177.8	-161.7	-174.1	-169.6	-155.9	0	110.5	T179 A180 T242 M243 D250 F251	T179-K246 WeakPolarHBondContact CA-O 3.19Å; A180-K246 PolarHBondContact N-O 2.86Å; T242-K246 PolarHBondContact O-N 2.97Å; M243-K246 VanDerWaalsContact O-CB 3.3Å; M243-K246 WeakPolarHBondContact O-CB 3.4Å; M243-K246 PolarHBondContact O-N 3.37Å; K246-D250 HydrophobicContact CD-CB 4.08Å; K246-D250 HydrophobicContact CG-CB 4.23Å; K246-D250 PolarHBondContact NZ-O 3.3Å; K246-F251 HydrophobicContact CB-CE2 3.81Å; K246-F251 HydrophobicContact CB-CZ 3.89Å; K246-F251 HydrophobicContact CD-CE1 4.47Å; K246-F251 HydrophobicContact CD-CE2 4.28Å; K246-F251 HydrophobicContact CD-CZ 4.15Å; K246-F251 HydrophobicContact CG-CE2 4.3Å; K246-F251 HydrophobicContact CG-CZ 4.48Å
247	K	92.9	Very high	89.4	Confident	84 Å²	84	50.1 Å²	50.1	37%	0.365	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-70.9	145.4	178.6	-62.6	-174	165.7	-169.9	0	112	D177 K178 K249 D250 F251	D177-K247 WeakPolarHBondContact O-CD 3.39Å; D177-K247 WeakPolarHBondContact O-CE 3.31Å; D177-K247 WeakPolarHBondContact O-CG 3.48Å; D177-K247 IonicContact OD1-NZ 2.76Å; D177-K247 PolarHBondContact OD1-NZ 3.38Å; K178-K247 WeakPolarHBondContact O-CA 3.35Å; K247-K249 VanDerWaalsContact C-N 3.29Å; K247-K249 HydrophobicContact CB-CG 4.21Å; K247-K249 PolarHBondContact O-N 2.94Å; K247-D250 PolarHBondContact O-N 3.24Å; K247-D250 VanDerWaalsContact O-N 3.15Å; K247-F251 VanDerWaalsContact O-CD2 3.29Å; K247-F251 WeakPolarHBondContact O-CD2 3.35Å
248	L	90.1	Very high	89.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.7	-36.9	-179.7	-101.7	72.7	0	0	0	113.7	M173 S176 K178 A180 C183 D250 F251	M173-L248 HydrophobicContact CB-CD2 3.68Å; M173-L248 HydrophobicContact CE-CD2 4.2Å; M173-L248 HydrophobicContact CG-CD2 4.37Å; S176-L248 PolarHBondContact O-N 3.1Å; K178-L248 WeakPolarHBondContact O-CD1 3.38Å; K178-L248 PolarHBondContact O-N 2.9Å; A180-L248 HydrophobicContact CB-CD1 4.29Å; C183-L248 HydrophobicContact CB-CD1 3.95Å; C183-L248 HydrophobicContact CB-CD2 4.21Å; C183-L248 VanDerWaalsContact SG-CD1 3.54Å; L248-D250 PolarHBondContact O-N 2.84Å; L248-F251 WeakPolarHBondContact O-CB 3.41Å; L248-F251 PolarHBondContact O-N 3.45Å; L248-F251 VanDerWaalsContact O-N 3.14Å
249	K	90.8	Very high	89.6	Confident	103 Å²	103	48.8 Å²	48.8	45%	0.448	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.3	179.9	69.6	-174.9	-172.6	-175.3	0	114.2	P175 S176 D177 K247 F251	P175-K249 HydrophobicContact CB-CB 4.05Å; S176-K249 PolarHBondContact O-N 3.04Å; D177-K249 VanDerWaalsContact OD1-CE 3.31Å; D177-K249 WeakPolarHBondContact OD1-CE 3.21Å; D177-K249 IonicContact OD1-NZ 3.56Å; D177-K249 PolarHBondContact OD1-NZ 3.12Å; K247-K249 VanDerWaalsContact C-N 3.29Å; K247-K249 HydrophobicContact CB-CG 4.21Å; K247-K249 PolarHBondContact O-N 2.94Å; K249-F251 VanDerWaalsContact C-N 3.31Å
250	D	89.3	Confident	89.6	Confident	83 Å²	83	48.9 Å²	48.9	44%	0.444	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-92.1	5.7	-179.2	-53.6	-35.9	0	0	0	112.7	K246 K247 L248	K246-D250 HydrophobicContact CD-CB 4.08Å; K246-D250 HydrophobicContact CG-CB 4.23Å; K246-D250 PolarHBondContact NZ-O 3.3Å; K247-D250 PolarHBondContact O-N 3.24Å; K247-D250 VanDerWaalsContact O-N 3.15Å; L248-D250 PolarHBondContact O-N 2.84Å
251	F	88.4	Confident	89.7	Confident	16 Å²	16	46.8 Å²	46.8	7%	0.07	25%	0.254	C	S	.	.	S	Bend	trans	-101.5	141	175.2	-76.3	-74.3	0	0	0	111.2	A180 F239 M243 K246 K247 L248 K249 W255 R256	A180-F251 HydrophobicContact CB-CE2 4.26Å; F239-F251 HydrophobicContact CD1-CE1 4.25Å; F239-F251 HydrophobicContact CD1-CZ 4.09Å; F239-F251 AromaticContact CE1-CE1 3.93Å; F239-F251 HydrophobicContact CE1-CE1 3.93Å; F239-F251 AromaticContact CE1-CZ 3.92Å; F239-F251 HydrophobicContact CE1-CZ 3.92Å; M243-F251 HydrophobicContact CB-CE1 4.34Å; M243-F251 HydrophobicContact CB-CZ 4.08Å; M243-F251 HydrophobicContact CE-CE1 3.75Å; M243-F251 VanDerWaalsContact O-CZ 3.29Å; M243-F251 WeakPolarHBondContact O-CZ 3.42Å; K246-F251 HydrophobicContact CB-CE2 3.81Å; K246-F251 HydrophobicContact CB-CZ 3.89Å; K246-F251 HydrophobicContact CD-CE1 4.47Å; K246-F251 HydrophobicContact CD-CE2 4.28Å; K246-F251 HydrophobicContact CD-CZ 4.15Å; K246-F251 HydrophobicContact CG-CE2 4.3Å; K246-F251 HydrophobicContact CG-CZ 4.48Å; K247-F251 VanDerWaalsContact O-CD2 3.29Å; K247-F251 WeakPolarHBondContact O-CD2 3.35Å; L248-F251 WeakPolarHBondContact O-CB 3.41Å; L248-F251 PolarHBondContact O-N 3.45Å; L248-F251 VanDerWaalsContact O-N 3.14Å; K249-F251 VanDerWaalsContact C-N 3.31Å; F251-W255 HydrophobicContact CB-CB 3.85Å; F251-W255 HydrophobicContact CD1-CB 3.54Å; F251-W255 HydrophobicContact CD1-CD2 4.33Å; F251-W255 AromaticContact CD1-CG 3.83Å; F251-W255 HydrophobicContact CD1-CG 3.83Å; F251-W255 HydrophobicContact CE1-CB 4.42Å; F251-W255 HydrophobicContact CE1-CG 4.46Å; F251-W255 HydrophobicContact CG-CB 4.03Å; F251-R256 HydrophobicContact CB-CG 3.94Å; F251-R256 PolarHBondContact O-NE 2.78Å
252	S	85.4	Confident	89.9	Confident	70 Å²	70	43.2 Å²	43.2	49%	0.49	23%	0.225	S	C	.	.			trans	-63.4	162.2	169.1	69.9	0	0	0	0	111.1	G254 W255 R256	S252-G254 VanDerWaalsContact C-N 3.33Å; S252-G254 PolarHBondContact O-N 3.16Å; S252-W255 PolarHBondContact O-N 3.36Å; S252-W255 VanDerWaalsContact O-N 3.1Å; S252-W255 VanDerWaalsContact OG-CD1 3.27Å; S252-R256 PolarHBondContact O-N 3.05Å
253	G	82.4	Confident	89.9	Confident	21 Å²	21	40.9 Å²	40.9	22%	0.216	20%	0.204	C	C	.	.	H	α-helix	trans	-51.6	-44.7	178	0	0	0	0	0	115	E172 W255 R256 M257	E172-G253 WeakPolarHBondContact OE2-CA 3.42Å; G253-W255 PolarHBondContact O-N 2.96Å; G253-R256 CarbonylContact O-C 3.44Å; G253-R256 WeakPolarHBondContact O-CA 3.34Å; G253-R256 WeakPolarHBondContact O-CB 3.27Å; G253-R256 PolarHBondContact O-N 3.1Å; G253-M257 PolarHBondContact O-N 2.84Å
254	G	83.8	Confident	89.8	Confident	23 Å²	23	38.8 Å²	38.8	24%	0.237	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-43.2	177.1	0	0	0	0	0	113.7	S252 M257 R258	S252-G254 VanDerWaalsContact C-N 3.33Å; S252-G254 PolarHBondContact O-N 3.16Å; G254-M257 WeakPolarHBondContact O-CB 3.01Å; G254-M257 PolarHBondContact O-N 2.87Å; G254-R258 WeakPolarHBondContact O-CG 3.48Å; G254-R258 PolarHBondContact O-N 2.83Å
255	W	88.9	Confident	89.8	Confident	51 Å²	51	38.9 Å²	38.9	19%	0.193	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-38.8	173	-76.7	106.6	0	0	0	112	G238 F239 M243 F251 S252 G253 M257 R258 V259	G238-W255 WeakPolarHBondContact O-CH2 3.42Å; F239-W255 HydrophobicContact CD1-CE3 4.13Å; F239-W255 HydrophobicContact CD1-CZ3 4.24Å; F239-W255 HydrophobicContact CD2-CE3 4.27Å; F239-W255 HydrophobicContact CD2-CZ3 4.01Å; F239-W255 AromaticContact CE1-CE3 3.7Å; F239-W255 HydrophobicContact CE1-CE3 3.7Å; F239-W255 HydrophobicContact CE1-CZ3 4.24Å; F239-W255 AromaticContact CE2-CE3 3.87Å; F239-W255 HydrophobicContact CE2-CE3 3.87Å; F239-W255 HydrophobicContact CE2-CZ3 4.03Å; F239-W255 HydrophobicContact CG-CE3 4.4Å; F239-W255 HydrophobicContact CG-CZ3 4.13Å; F239-W255 AromaticContact CZ-CE3 3.56Å; F239-W255 HydrophobicContact CZ-CE3 3.56Å; F239-W255 HydrophobicContact CZ-CZ3 4.14Å; M243-W255 HydrophobicContact CE-CD2 3.96Å; M243-W255 HydrophobicContact CE-CE3 3.76Å; M243-W255 HydrophobicContact CE-CH2 3.44Å; M243-W255 VanDerWaalsContact CE-CH2 3.44Å; M243-W255 HydrophobicContact CE-CZ2 3.63Å; M243-W255 HydrophobicContact CE-CZ3 3.5Å; M243-W255 VanDerWaalsContact CE-CZ3 3.5Å; F251-W255 HydrophobicContact CB-CB 3.85Å; F251-W255 HydrophobicContact CD1-CB 3.54Å; F251-W255 HydrophobicContact CD1-CD2 4.33Å; F251-W255 AromaticContact CD1-CG 3.83Å; F251-W255 HydrophobicContact CD1-CG 3.83Å; F251-W255 HydrophobicContact CE1-CB 4.42Å; F251-W255 HydrophobicContact CE1-CG 4.46Å; F251-W255 HydrophobicContact CG-CB 4.03Å; S252-W255 PolarHBondContact O-N 3.36Å; S252-W255 VanDerWaalsContact O-N 3.1Å; S252-W255 VanDerWaalsContact OG-CD1 3.27Å; G253-W255 PolarHBondContact O-N 2.96Å; W255-M257 VanDerWaalsContact C-N 3.29Å; W255-M257 PolarHBondContact O-N 2.85Å; W255-R258 WeakPolarHBondContact O-CB 3.45Å; W255-R258 PolarHBondContact O-N 3.14Å; W255-R258 VanDerWaalsContact O-N 3.15Å; W255-V259 PolarHBondContact O-N 2.88Å
256	R	90.3	Very high	89.6	Confident	36 Å²	36	34 Å²	34	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-31.9	173.9	-68.6	-172.3	-70.7	117.8	1.6	112.4	E172 M173 F251 S252 G253 V259 A260	E172-R256 HydrophobicContact CB-CB 4.25Å; E172-R256 IonicContact OE1-CZ 2.88Å; E172-R256 IonicContact OE1-NH1 3.97Å; E172-R256 PolarHBondContact OE1-NH1 2.94Å; E172-R256 IonicContact OE1-NH2 2.8Å; E172-R256 PolarHBondContact OE1-NH2 2.84Å; E172-R256 IonicContact OE2-CZ 3.78Å; E172-R256 IonicContact OE2-NH1 3Å; E172-R256 IonicContact OE2-NH2 2.76Å; E172-R256 PolarHBondContact OE2-NH2 3.38Å; M173-R256 HydrophobicContact CB-CB 4.47Å; M173-R256 PolarHBondContact N-O 3.07Å; M173-R256 WeakPolarHBondContact O-CD 3.29Å; M173-R256 PolarHBondContact O-NH1 3.1Å; F251-R256 HydrophobicContact CB-CG 3.94Å; F251-R256 PolarHBondContact O-NE 2.78Å; S252-R256 PolarHBondContact O-N 3.05Å; G253-R256 CarbonylContact O-C 3.44Å; G253-R256 WeakPolarHBondContact O-CA 3.34Å; G253-R256 WeakPolarHBondContact O-CB 3.27Å; G253-R256 PolarHBondContact O-N 3.1Å; R256-V259 PolarHBondContact O-N 2.89Å; R256-A260 PolarHBondContact O-N 3.42Å
257	M	88.9	Confident	89.2	Confident	47 Å²	47	30.4 Å²	30.4	23%	0.232	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-40.5	170.2	-175.7	61.4	80.3	0	0	111.5	L169 E172 G253 G254 W255 V259 A260 L261	L169-M257 HydrophobicContact CD1-SD 4.33Å; L169-M257 HydrophobicContact CG-SD 4.38Å; E172-M257 HydrophobicContact CB-CB 4.25Å; E172-M257 HydrophobicContact CB-CE 4.18Å; G253-M257 PolarHBondContact O-N 2.84Å; G254-M257 WeakPolarHBondContact O-CB 3.01Å; G254-M257 PolarHBondContact O-N 2.87Å; W255-M257 VanDerWaalsContact C-N 3.29Å; W255-M257 PolarHBondContact O-N 2.85Å; M257-V259 VanDerWaalsContact C-N 3.32Å; M257-V259 PolarHBondContact O-N 2.84Å; M257-A260 WeakPolarHBondContact O-CA 3.36Å; M257-A260 WeakPolarHBondContact O-CB 3.34Å; M257-A260 PolarHBondContact O-N 3.5Å; M257-A260 VanDerWaalsContact O-N 3.11Å; M257-A260 HydrophobicContact SD-CB 4.4Å; M257-L261 PolarHBondContact O-N 2.88Å
258	R	92.3	Very high	88.9	Confident	5 Å²	5	29.7 Å²	29.7	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-37.6	173.5	-62.4	-172.2	-176.6	-157.6	-1.4	112.5	L237 F239 G254 W255 A260 L261 A262 H280 L281 D282 N454	L237-R258 WeakPolarHBondContact O-CD 3.43Å; L237-R258 PolarHBondContact O-NH1 2.87Å; F239-R258 HydrophobicContact CE2-CB 3.63Å; F239-R258 HydrophobicContact CZ-CB 3.93Å; G254-R258 WeakPolarHBondContact O-CG 3.48Å; G254-R258 PolarHBondContact O-N 2.83Å; W255-R258 WeakPolarHBondContact O-CB 3.45Å; W255-R258 PolarHBondContact O-N 3.14Å; W255-R258 VanDerWaalsContact O-N 3.15Å; R258-A260 VanDerWaalsContact C-N 3.34Å; R258-L261 PolarHBondContact O-N 3.43Å; R258-A262 WeakPolarHBondContact O-CB 3.31Å; R258-A262 PolarHBondContact O-N 2.95Å; R258-H280 PolarHBondContact NE-O 2.88Å; R258-H280 PolarHBondContact NH2-O 3.48Å; R258-L281 HydrophobicContact CG-CD2 3.75Å; R258-L281 VanDerWaalsContact NH2-CA 3.34Å; R258-D282 IonicContact CZ-OD1 3.63Å; R258-D282 IonicContact NH1-OD1 2.65Å; R258-D282 PolarHBondContact NH1-OD1 3.46Å; R258-D282 VanDerWaalsContact NH2-N 3.12Å; R258-D282 IonicContact NH2-OD1 3.51Å; R258-D282 PolarHBondContact NH2-OD1 3.11Å; R258-N454 PolarHBondContact NH2-ND2 2.88Å
259	V	92.2	Very high	88.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-40.3	172.3	-179	0	0	0	0	111	M173 A180 C183 V184 F239 W255 R256 M257 L261 A262 R263	M173-V259 HydrophobicContact CG-CB 4.46Å; M173-V259 HydrophobicContact CG-CG1 4.29Å; A180-V259 HydrophobicContact CB-CG2 4.08Å; C183-V259 HydrophobicContact CB-CG1 4.21Å; V184-V259 HydrophobicContact CG2-CG1 4.09Å; F239-V259 HydrophobicContact CE1-CG2 3.71Å; F239-V259 HydrophobicContact CE2-CG2 4.4Å; F239-V259 HydrophobicContact CZ-CG2 3.42Å; F239-V259 VanDerWaalsContact CZ-CG2 3.42Å; W255-V259 PolarHBondContact O-N 2.88Å; R256-V259 PolarHBondContact O-N 2.89Å; M257-V259 VanDerWaalsContact C-N 3.32Å; M257-V259 PolarHBondContact O-N 2.84Å; V259-L261 VanDerWaalsContact C-N 3.34Å; V259-L261 PolarHBondContact O-N 3.31Å; V259-A262 WeakPolarHBondContact O-CB 3.34Å; V259-A262 PolarHBondContact O-N 2.83Å; V259-R263 WeakPolarHBondContact O-CB 3.35Å; V259-R263 PolarHBondContact O-N 3.09Å
260	A	90.2	Very high	88.7	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-42.4	175.5	0	0	0	0	0	111.8	L169 R171 M173 R256 M257 R258 R263 A264	L169-A260 HydrophobicContact CD1-CB 3.53Å; R171-A260 WeakPolarHBondContact O-CB 3.31Å; M173-A260 HydrophobicContact CG-CB 3.85Å; R256-A260 PolarHBondContact O-N 3.42Å; M257-A260 WeakPolarHBondContact O-CA 3.36Å; M257-A260 WeakPolarHBondContact O-CB 3.34Å; M257-A260 PolarHBondContact O-N 3.5Å; M257-A260 VanDerWaalsContact O-N 3.11Å; M257-A260 HydrophobicContact SD-CB 4.4Å; R258-A260 VanDerWaalsContact C-N 3.34Å; A260-R263 WeakPolarHBondContact O-CB 3.18Å; A260-R263 PolarHBondContact O-N 3.46Å; A260-A264 PolarHBondContact O-N 2.85Å
261	L	92.4	Very high	88.8	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-44.8	173.1	-179.5	63.1	0	0	0	111.8	L169 L237 M257 R258 V259 R263 A264 L265 L274 L281 L289	L169-L261 HydrophobicContact CD2-CB 3.84Å; L169-L261 HydrophobicContact CD2-CD1 3.66Å; L169-L261 HydrophobicContact CD2-CG 4.34Å; L237-L261 HydrophobicContact CD1-CD2 4.43Å; L237-L261 HydrophobicContact CD1-CG 4.36Å; L237-L261 HydrophobicContact CD2-CD2 3.93Å; M257-L261 PolarHBondContact O-N 2.88Å; R258-L261 PolarHBondContact O-N 3.43Å; V259-L261 VanDerWaalsContact C-N 3.34Å; V259-L261 PolarHBondContact O-N 3.31Å; L261-R263 VanDerWaalsContact C-N 3.26Å; L261-R263 PolarHBondContact O-N 2.85Å; L261-A264 WeakPolarHBondContact O-CB 3.32Å; L261-A264 PolarHBondContact O-N 3.32Å; L261-A264 VanDerWaalsContact O-N 3.09Å; L261-L265 HydrophobicContact CD1-CG 4.41Å; L261-L265 HydrophobicContact CG-CD1 4.26Å; L261-L265 WeakPolarHBondContact O-CG 3.48Å; L261-L265 PolarHBondContact O-N 2.81Å; L261-L274 HydrophobicContact CD1-CD1 4.4Å; L261-L274 HydrophobicContact CD1-CD2 3.92Å; L261-L281 HydrophobicContact CD2-CD1 4.17Å; L261-L289 HydrophobicContact CD2-CD1 4.15Å; L261-L289 HydrophobicContact CD2-CD2 3.99Å
262	A	92.6	Very high	89.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56	-43.8	176.2	0	0	0	0	0	111.4	V184 I233 L234 L237 R258 V259 L265 F266	V184-A262 HydrophobicContact CG2-CB 3.81Å; I233-A262 HydrophobicContact CG2-CB 3.79Å; L234-A262 HydrophobicContact CD2-CB 3.67Å; L234-A262 HydrophobicContact CG-CB 4.24Å; L237-A262 HydrophobicContact CD1-CB 3.66Å; R258-A262 WeakPolarHBondContact O-CB 3.31Å; R258-A262 PolarHBondContact O-N 2.95Å; V259-A262 WeakPolarHBondContact O-CB 3.34Å; V259-A262 PolarHBondContact O-N 2.83Å; A262-L265 PolarHBondContact O-N 3.21Å; A262-F266 VanDerWaalsContact O-CB 3.31Å; A262-F266 WeakPolarHBondContact O-CB 3.04Å; A262-F266 PolarHBondContact O-N 3.39Å
263	R	88.8	Confident	89.5	Confident	62 Å²	62	18.3 Å²	18.3	23%	0.234	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-46.2	174.2	168.2	169.7	-178.1	159.6	16.8	112	V187 V259 A260 L261 L265 F266 I267	V187-R263 HydrophobicContact CG2-CG 3.75Å; V187-R263 VanDerWaalsContact CG2-NH2 3.33Å; V259-R263 WeakPolarHBondContact O-CB 3.35Å; V259-R263 PolarHBondContact O-N 3.09Å; A260-R263 WeakPolarHBondContact O-CB 3.18Å; A260-R263 PolarHBondContact O-N 3.46Å; L261-R263 VanDerWaalsContact C-N 3.26Å; L261-R263 PolarHBondContact O-N 2.85Å; R263-L265 VanDerWaalsContact C-N 3.35Å; R263-L265 PolarHBondContact O-N 3.33Å; R263-F266 PolarHBondContact O-N 3.46Å; R263-I267 HydrophobicContact CG-CD1 3.83Å; R263-I267 WeakPolarHBondContact O-CD1 3.5Å; R263-I267 VanDerWaalsContact O-CG1 3.25Å; R263-I267 WeakPolarHBondContact O-CG1 3.4Å; R263-I267 PolarHBondContact O-N 3.38Å
264	A	89.7	Confident	90	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-44.2	177.3	0	0	0	0	0	112.3	Y167 A260 L261 F266 K268 L272	Y167-A264 HydrophobicContact CD1-CB 3.52Å; Y167-A264 HydrophobicContact CE1-CB 3.4Å; Y167-A264 HydrophobicContact CG-CB 4.45Å; A260-A264 PolarHBondContact O-N 2.85Å; L261-A264 WeakPolarHBondContact O-CB 3.32Å; L261-A264 PolarHBondContact O-N 3.32Å; L261-A264 VanDerWaalsContact O-N 3.09Å; A264-F266 VanDerWaalsContact C-N 3.33Å; A264-K268 PolarHBondContact O-N 2.97Å; A264-L272 HydrophobicContact CB-CD1 3.98Å
265	L	91.1	Very high	90.2	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.052	8%	0.082	C	C	.	.	H	α-helix	trans	-68.7	-31.8	176.9	-64.4	175.1	0	0	0	112.6	I233 L237 L261 A262 R263 K268 L272 W288 L289 L293	I233-L265 HydrophobicContact CD1-CB 4.45Å; I233-L265 HydrophobicContact CG2-CB 4.21Å; I233-L265 HydrophobicContact CG2-CD1 4.28Å; L237-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CD1-CG 4.41Å; L261-L265 HydrophobicContact CG-CD1 4.26Å; L261-L265 WeakPolarHBondContact O-CG 3.48Å; L261-L265 PolarHBondContact O-N 2.81Å; A262-L265 PolarHBondContact O-N 3.21Å; R263-L265 VanDerWaalsContact C-N 3.35Å; R263-L265 PolarHBondContact O-N 3.33Å; L265-K268 WeakPolarHBondContact O-CG 3.15Å; L265-L272 HydrophobicContact CD2-CD2 4.34Å; L265-W288 HydrophobicContact CD1-CH2 4.28Å; L265-W288 HydrophobicContact CD1-CZ3 3.91Å; L265-L289 HydrophobicContact CD1-CD1 3.74Å; L265-L289 HydrophobicContact CD2-CD1 4.3Å; L265-L293 HydrophobicContact CD2-CD2 3.75Å
266	F	88.6	Confident	89.9	Confident	7 Å²	7	17 Å²	17	3%	0.031	8%	0.077	C	C	.	.	H	α-helix	trans	-67.3	-49.2	176.5	-176.6	-97.2	0	0	0	111.2	V184 A226 R229 A230 I233 A262 R263 A264 K268	V184-F266 HydrophobicContact CG1-CB 3.61Å; V184-F266 HydrophobicContact CG1-CD1 4.34Å; V184-F266 HydrophobicContact CG1-CD2 4.04Å; V184-F266 HydrophobicContact CG1-CG 3.73Å; V184-F266 WeakPolarHBondContact O-CD1 3.39Å; A226-F266 HydrophobicContact CB-CE2 4.43Å; A226-F266 HydrophobicContact CB-CZ 4.02Å; R229-F266 HydrophobicContact CB-CE2 4.39Å; R229-F266 HydrophobicContact CG-CD2 4.23Å; R229-F266 HydrophobicContact CG-CE2 4.24Å; R229-F266 PolarHBondContact NH2-O 3.47Å; A230-F266 HydrophobicContact CB-CD2 4.05Å; A230-F266 HydrophobicContact CB-CE2 4.01Å; I233-F266 HydrophobicContact CD1-CB 4.15Å; I233-F266 HydrophobicContact CD1-CD2 4.25Å; A262-F266 VanDerWaalsContact O-CB 3.31Å; A262-F266 WeakPolarHBondContact O-CB 3.04Å; A262-F266 PolarHBondContact O-N 3.39Å; R263-F266 PolarHBondContact O-N 3.46Å; A264-F266 VanDerWaalsContact C-N 3.33Å; F266-K268 VanDerWaalsContact C-N 3.32Å; F266-K268 PolarHBondContact O-N 2.76Å
267	I	84.4	Confident	89.7	Confident	14 Å²	14	16 Å²	16	7%	0.072	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-37.2	-179.4	-64.3	159.6	0	0	0	112	Y167 V187 R217 R263	Y167-I267 HydrophobicContact CD2-CD1 3.69Å; Y167-I267 HydrophobicContact CE2-CD1 3.28Å; V187-I267 HydrophobicContact CB-CD1 4.13Å; V187-I267 HydrophobicContact CB-CG1 4.18Å; V187-I267 HydrophobicContact CG1-CD1 3.44Å; V187-I267 VanDerWaalsContact CG1-CD1 3.44Å; V187-I267 HydrophobicContact CG1-CG1 3.91Å; R217-I267 PolarHBondContact NH2-O 2.84Å; R263-I267 HydrophobicContact CG-CD1 3.83Å; R263-I267 WeakPolarHBondContact O-CD1 3.5Å; R263-I267 VanDerWaalsContact O-CG1 3.25Å; R263-I267 WeakPolarHBondContact O-CG1 3.4Å; R263-I267 PolarHBondContact O-N 3.38Å
268	K	85.4	Confident	89.4	Confident	68 Å²	68	14.5 Å²	14.5	30%	0.296	7%	0.069	S	C	.	.			trans	48.5	66.2	-173.3	-65.3	-173.3	178.7	170.4	0	112	R217 A264 L265 F266 R298	R217-K268 PolarHBondContact NH2-O 3.43Å; A264-K268 PolarHBondContact O-N 2.97Å; L265-K268 WeakPolarHBondContact O-CG 3.15Å; F266-K268 VanDerWaalsContact C-N 3.32Å; F266-K268 PolarHBondContact O-N 2.76Å; K268-R298 PolarHBondContact O-NH1 3.21Å
269	P	88.3	Confident	88.7	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.013	8%	0.08	C	C	.	.			trans	-60.5	171.5	-180	34.7	-44.7	0	0	0	112.3	M271 L272 R298	P269-M271 VanDerWaalsContact C-N 3.34Å; P269-M271 WeakPolarHBondContact CG-O 3.49Å; P269-L272 HydrophobicContact CG-CB 3.81Å; P269-L272 HydrophobicContact CG-CD1 4.06Å; P269-L272 HydrophobicContact CG-CG 4.48Å; P269-R298 VanDerWaalsContact C-NH1 3.31Å; P269-R298 WeakPolarHBondContact O-CD 3.47Å; P269-R298 PolarHBondContact O-NH1 3.46Å
270	F	88.4	Confident	87.9	Confident	32 Å²	32	20.9 Å²	20.9	14%	0.14	10%	0.1	C	C	.	.	S	Bend	trans	-67.1	-38.2	171.4	-160.5	-84.2	0	0	0	111.9	T79 I164 D165 R298 I299	T79-F270 HydrophobicContact CG2-CE2 4.12Å; T79-F270 HydrophobicContact CG2-CZ 3.62Å; T79-F270 WeakPolarHBondContact O-CE1 3.33Å; I164-F270 HydrophobicContact CB-CD1 4.29Å; I164-F270 HydrophobicContact CD1-CD1 4.44Å; I164-F270 HydrophobicContact CD1-CE1 4.43Å; I164-F270 HydrophobicContact CG1-CD1 3.95Å; I164-F270 HydrophobicContact CG1-CE1 4.25Å; I164-F270 HydrophobicContact CG2-CB 4.24Å; I164-F270 HydrophobicContact CG2-CD1 3.78Å; I164-F270 HydrophobicContact CG2-CG 4.36Å; D165-F270 HydrophobicContact CB-CB 4.41Å; D165-F270 PolarHBondContact O-N 3.25Å; D165-F270 VanDerWaalsContact O-N 3.08Å; F270-R298 WeakPolarHBondContact O-CB 3.37Å; F270-I299 HydrophobicContact CD1-CD1 4.38Å; F270-I299 HydrophobicContact CE1-CD1 4.07Å; F270-I299 HydrophobicContact CE1-CG1 4.28Å; F270-I299 PolarHBondContact O-N 3.01Å
271	M	93.1	Very high	87.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.7	175	-174.1	-178.9	-66.4	0	0	109.7	V81 L103 I153 I164 D165 I166 Y167 P269 L273 I299	V81-M271 HydrophobicContact CG2-CE 3.94Å; L103-M271 HydrophobicContact CD1-CE 3.96Å; L103-M271 HydrophobicContact CD1-SD 4.35Å; I153-M271 HydrophobicContact CG2-SD 3.56Å; I153-M271 VanDerWaalsContact CG2-SD 3.56Å; I164-M271 HydrophobicContact CG2-CB 4.09Å; I164-M271 HydrophobicContact CG2-CE 4.13Å; D165-M271 PolarHBondContact O-N 3.41Å; I166-M271 WeakPolarHBondContact CA-O 3.46Å; I166-M271 HydrophobicContact CG1-CB 4.13Å; I166-M271 HydrophobicContact CG1-SD 4.14Å; I166-M271 HydrophobicContact CG2-SD 4.43Å; Y167-M271 PolarHBondContact N-O 2.94Å; P269-M271 VanDerWaalsContact C-N 3.34Å; P269-M271 WeakPolarHBondContact CG-O 3.49Å; M271-L273 HydrophobicContact CG-CD2 3.83Å; M271-L273 HydrophobicContact CG-CG 4.41Å; M271-L273 HydrophobicContact SD-CD2 4Å; M271-I299 CarbonylContact C-O 3.54Å; M271-I299 WeakPolarHBondContact CA-O 3.44Å; M271-I299 HydrophobicContact CB-CB 4.3Å; M271-I299 HydrophobicContact CE-CD1 3.85Å; M271-I299 HydrophobicContact CE-CG2 4.24Å; M271-I299 HydrophobicContact CG-CB 4.15Å; M271-I299 HydrophobicContact CG-CG2 3.98Å
272	L	94.5	Very high	87.2	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.8	175.8	-178.2	58.9	0	0	0	109.6	Y167 A264 L265 P269 L274 L293 F296 I299 L300 V301	Y167-L272 HydrophobicContact CD1-CD1 4.27Å; A264-L272 HydrophobicContact CB-CD1 3.98Å; L265-L272 HydrophobicContact CD2-CD2 4.34Å; P269-L272 HydrophobicContact CG-CB 3.81Å; P269-L272 HydrophobicContact CG-CD1 4.06Å; P269-L272 HydrophobicContact CG-CG 4.48Å; L272-L274 HydrophobicContact CD1-CD2 3.94Å; L272-L274 HydrophobicContact CD1-CG 4.44Å; L272-L274 HydrophobicContact CD2-CD1 4.25Å; L272-L274 HydrophobicContact CD2-CD2 4.4Å; L272-L274 HydrophobicContact CD2-CG 4.36Å; L272-L274 HydrophobicContact CG-CD1 4.46Å; L272-L274 HydrophobicContact CG-CD2 4.09Å; L272-L274 HydrophobicContact CG-CG 4.05Å; L272-L293 HydrophobicContact CD2-CD2 4.19Å; L272-F296 HydrophobicContact CB-CE1 4.17Å; L272-F296 HydrophobicContact CB-CE2 4.37Å; L272-F296 HydrophobicContact CB-CZ 3.76Å; L272-F296 HydrophobicContact CD2-CE2 4.1Å; L272-F296 HydrophobicContact CD2-CZ 4.33Å; L272-I299 PolarHBondContact N-O 3.3Å; L272-L300 HydrophobicContact CB-CD1 3.99Å; L272-L300 HydrophobicContact CD2-CD1 3.96Å; L272-L300 HydrophobicContact CG-CD1 3.95Å; L272-V301 PolarHBondContact O-N 3.33Å
273	L	94.1	Very high	86.8	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.2	177.3	-48.9	178.7	0	0	0	109.4	L150 I153 I166 Y167 H168 L169 M271 V301	L150-L273 HydrophobicContact CD2-CB 4.23Å; L150-L273 HydrophobicContact CG-CB 4.33Å; I153-L273 HydrophobicContact CB-CD1 3.93Å; I153-L273 HydrophobicContact CG2-CD1 3.66Å; I153-L273 HydrophobicContact CG2-CD2 4.2Å; I166-L273 HydrophobicContact CG2-CD1 3.73Å; I166-L273 HydrophobicContact CG2-CG 4.06Å; Y167-L273 PolarHBondContact O-N 3.14Å; H168-L273 HydrophobicContact CB-CB 4.28Å; H168-L273 HydrophobicContact CB-CD1 4.14Å; L169-L273 PolarHBondContact N-O 3.18Å; M271-L273 HydrophobicContact CG-CD2 3.83Å; M271-L273 HydrophobicContact CG-CG 4.41Å; M271-L273 HydrophobicContact SD-CD2 4Å; L273-V301 WeakPolarHBondContact CA-O 3.44Å; L273-V301 HydrophobicContact CD2-CB 3.65Å; L273-V301 HydrophobicContact CD2-CG2 3.8Å
274	L	91.7	Very high	86.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.3	-179.7	-58.8	179.3	0	0	0	110.4	L169 L261 L272 P277 L293 L300 V301 L302 I303	L169-L274 HydrophobicContact CB-CD2 3.85Å; L169-L274 HydrophobicContact CD2-CD2 3.88Å; L261-L274 HydrophobicContact CD1-CD1 4.4Å; L261-L274 HydrophobicContact CD1-CD2 3.92Å; L272-L274 HydrophobicContact CD1-CD2 3.94Å; L272-L274 HydrophobicContact CD1-CG 4.44Å; L272-L274 HydrophobicContact CD2-CD1 4.25Å; L272-L274 HydrophobicContact CD2-CD2 4.4Å; L272-L274 HydrophobicContact CD2-CG 4.36Å; L272-L274 HydrophobicContact CG-CD1 4.46Å; L272-L274 HydrophobicContact CG-CD2 4.09Å; L272-L274 HydrophobicContact CG-CG 4.05Å; L274-P277 HydrophobicContact CB-CB 4.32Å; L274-P277 HydrophobicContact CB-CG 4.1Å; L274-P277 HydrophobicContact CD1-CB 4.33Å; L274-P277 HydrophobicContact CD1-CG 4.27Å; L274-L293 HydrophobicContact CD1-CD1 3.88Å; L274-L293 HydrophobicContact CD1-CD2 4.12Å; L274-L300 HydrophobicContact CD1-CD1 4.13Å; L274-L300 HydrophobicContact CG-CD1 4.39Å; L274-V301 PolarHBondContact N-O 3.11Å; L274-L302 HydrophobicContact CB-CB 4.42Å; L274-L302 WeakPolarHBondContact O-CA 3.2Å; L274-I303 PolarHBondContact O-N 3.14Å
275	D	87.3	Confident	86.8	Confident	50 Å²	50	19.8 Å²	19.8	27%	0.267	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.8	174.5	-164.8	1	0	0	0	109.9	S147 L150 I303	S147-D275 WeakPolarHBondContact CB-OD2 3.24Å; S147-D275 PolarHBondContact OG-OD2 3.33Å; L150-D275 HydrophobicContact CD2-CB 4.46Å; D275-I303 HydrophobicContact CB-CD1 4.46Å; D275-I303 WeakPolarHBondContact OD1-CD1 3.39Å
276	E	83.6	Confident	86.7	Confident	17 Å²	17	19.8 Å²	19.8	8%	0.079	10%	0.1	C	C	.	.	S	Bend	trans	45.9	58	-179	-63.7	-64.3	155.2	0	0	114.7	T278 N279 I303 S304 H305	E276-T278 PolarHBondContact O-N 3.41Å; E276-N279 VanDerWaalsContact CB-ND2 3.34Å; E276-N279 WeakPolarHBondContact CB-ND2 3.48Å; E276-N279 PolarHBondContact O-N 3.45Å; E276-I303 VanDerWaalsContact CA-O 3.3Å; E276-I303 WeakPolarHBondContact CA-O 3.49Å; E276-I303 HydrophobicContact CG-CG2 4.45Å; E276-I303 PolarHBondContact N-O 2.71Å; E276-I303 WeakPolarHBondContact OE1-CG2 3.36Å; E276-S304 WeakPolarHBondContact OE1-CA 3.4Å; E276-S304 PolarHBondContact OE1-N 3.24Å; E276-S304 WeakPolarHBondContact OE2-CA 3.45Å; E276-H305 IonicContact OE1-CD2 3.86Å; E276-H305 PolarHBondContact OE1-CD2 3.03Å; E276-H305 IonicContact OE1-CG 3.82Å; E276-H305 PolarHBondContact OE1-N 3.14Å; E276-H305 IonicContact OE1-NE2 2.88Å; E276-H305 IonicContact OE2-CD2 3.81Å; E276-H305 PolarHBondContact OE2-N 3.22Å
277	P	85.6	Confident	86.8	Confident	15 Å²	15	19.5 Å²	19.5	10%	0.097	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.2	-173.1	28.7	-36.1	0	0	0	114	L274 L281 L289 I303 F309	L274-P277 HydrophobicContact CB-CB 4.32Å; L274-P277 HydrophobicContact CB-CG 4.1Å; L274-P277 HydrophobicContact CD1-CB 4.33Å; L274-P277 HydrophobicContact CD1-CG 4.27Å; P277-L281 VanDerWaalsContact O-CD1 3.22Å; P277-L281 WeakPolarHBondContact O-CD1 3.23Å; P277-L281 WeakPolarHBondContact O-CG 3.22Å; P277-L289 HydrophobicContact CB-CD2 4.07Å; P277-L289 HydrophobicContact CG-CD2 4.44Å; P277-I303 WeakPolarHBondContact CD-O 3.4Å; P277-F309 HydrophobicContact CG-CE1 4.07Å; P277-F309 HydrophobicContact CG-CZ 4.34Å
278	T	83.4	Confident	87.2	Confident	17 Å²	17	19.6 Å²	19.6	10%	0.104	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-18.4	-175.6	50.8	0	0	0	0	114.4	E276 H280 L281 F309	E276-T278 PolarHBondContact O-N 3.41Å; T278-H280 PolarHBondContact O-N 2.77Å; T278-L281 PolarHBondContact O-N 3.37Å; T278-F309 HydrophobicContact CG2-CD1 4.11Å; T278-F309 HydrophobicContact CG2-CD2 3.87Å; T278-F309 HydrophobicContact CG2-CE1 4.22Å; T278-F309 HydrophobicContact CG2-CE2 3.99Å; T278-F309 HydrophobicContact CG2-CG 3.92Å; T278-F309 HydrophobicContact CG2-CZ 4.14Å
279	N	78	Confident	87.6	Confident	48 Å²	48	16.4 Å²	16.4	26%	0.257	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.3	-169.9	-74.6	-9.6	0	0	0	115.5	E276	E276-N279 VanDerWaalsContact CB-ND2 3.34Å; E276-N279 WeakPolarHBondContact CB-ND2 3.48Å; E276-N279 PolarHBondContact O-N 3.45Å
280	H	74.5	Confident	87.8	Confident	90 Å²	90	16.8 Å²	16.8	42%	0.417	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	13.6	179.2	-58.6	-45.9	0	0	0	112.6	R258 T278	R258-H280 PolarHBondContact NE-O 2.88Å; R258-H280 PolarHBondContact NH2-O 3.48Å; T278-H280 PolarHBondContact O-N 2.77Å
281	L	84.1	Confident	87.9	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.01	9%	0.092	C	C	.	.			trans	-105.1	137.6	-178.5	-62.2	-175.8	0	0	0	110.1	L237 R258 L261 P277 T278 A285 C286 L289 H593	L237-L281 HydrophobicContact CD2-CD2 4.24Å; R258-L281 HydrophobicContact CG-CD2 3.75Å; R258-L281 VanDerWaalsContact NH2-CA 3.34Å; L261-L281 HydrophobicContact CD2-CD1 4.17Å; P277-L281 VanDerWaalsContact O-CD1 3.22Å; P277-L281 WeakPolarHBondContact O-CD1 3.23Å; P277-L281 WeakPolarHBondContact O-CG 3.22Å; T278-L281 PolarHBondContact O-N 3.37Å; L281-A285 HydrophobicContact CB-CB 4.25Å; L281-A285 HydrophobicContact CD2-CB 4.09Å; L281-C286 WeakPolarHBondContact CB-SG 3.32Å; L281-L289 HydrophobicContact CD1-CB 4.36Å; L281-L289 HydrophobicContact CD1-CD2 3.53Å; L281-H593 PolarHBondContact O-CD2 2.65Å; L281-H593 VanDerWaalsContact O-CG 3.3Å
282	D	84.6	Confident	87.9	Confident	7 Å²	7	20 Å²	20	4%	0.037	10%	0.101	C	C	.	.			trans	-77.7	165.6	167.8	41.4	-13.9	0	0	0	110.2	R258 D284 A285 C286 P453 N454	R258-D282 IonicContact CZ-OD1 3.63Å; R258-D282 IonicContact NH1-OD1 2.65Å; R258-D282 PolarHBondContact NH1-OD1 3.46Å; R258-D282 VanDerWaalsContact NH2-N 3.12Å; R258-D282 IonicContact NH2-OD1 3.51Å; R258-D282 PolarHBondContact NH2-OD1 3.11Å; D282-D284 VanDerWaalsContact C-N 3.26Å; D282-D284 PolarHBondContact O-N 3.4Å; D282-A285 PolarHBondContact O-N 3.24Å; D282-A285 VanDerWaalsContact O-N 3.1Å; D282-A285 VanDerWaalsContact OD1-CB 3.23Å; D282-A285 WeakPolarHBondContact OD1-CB 3.37Å; D282-C286 WeakPolarHBondContact O-CB 3.26Å; D282-C286 PolarHBondContact O-N 3.38Å; D282-C286 PolarHBondContact O-SG 3.38Å; D282-P453 VanDerWaalsContact OD2-CA 3.28Å; D282-P453 WeakPolarHBondContact OD2-CA 3.39Å; D282-N454 HydrophobicContact CB-CB 4.47Å; D282-N454 PolarHBondContact OD2-N 2.76Å
283	L	84.4	Confident	87.8	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-53.5	-43.1	-176.5	-68.8	170	0	0	0	112.5	C286 V287 V451 H593 F595 Y623 L627	L283-C286 PolarHBondContact O-N 3.18Å; L283-V287 VanDerWaalsContact O-CG2 3.29Å; L283-V287 WeakPolarHBondContact O-CG2 3.39Å; L283-V287 PolarHBondContact O-N 3.19Å; L283-V451 HydrophobicContact CD1-CB 3.71Å; L283-V451 HydrophobicContact CD1-CG1 3.51Å; L283-H593 HydrophobicContact CD2-CB 4.32Å; L283-H593 VanDerWaalsContact CD2-O 3.23Å; L283-H593 WeakPolarHBondContact CD2-O 3.16Å; L283-F595 HydrophobicContact CB-CZ 4.21Å; L283-F595 HydrophobicContact CD2-CD2 3.94Å; L283-F595 HydrophobicContact CD2-CE1 4.11Å; L283-F595 HydrophobicContact CD2-CE2 3.51Å; L283-F595 HydrophobicContact CD2-CG 4.41Å; L283-F595 HydrophobicContact CD2-CZ 3.6Å; L283-F595 HydrophobicContact CG-CZ 4.41Å; L283-Y623 HydrophobicContact CD1-CE1 4.24Å; L283-L627 HydrophobicContact CB-CD1 4.2Å
284	D	86.8	Confident	87.8	Confident	34 Å²	34	24.8 Å²	24.8	18%	0.182	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-50.3	177.5	-68	21.9	0	0	0	111.6	D282 V287 W288 L627 K630	D282-D284 VanDerWaalsContact C-N 3.26Å; D282-D284 PolarHBondContact O-N 3.4Å; D284-V287 PolarHBondContact O-N 3Å; D284-W288 PolarHBondContact O-N 3.1Å; D284-L627 VanDerWaalsContact OD1-CD1 3.27Å; D284-L627 WeakPolarHBondContact OD1-CD1 3.49Å; D284-L627 WeakPolarHBondContact OD1-CD2 3.4Å; D284-K630 IonicContact OD2-NZ 3.56Å
285	A	90.1	Very high	87.7	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-33.9	179.8	0	0	0	0	0	112.6	L281 D282 W288 L289	L281-A285 HydrophobicContact CB-CB 4.25Å; L281-A285 HydrophobicContact CD2-CB 4.09Å; D282-A285 PolarHBondContact O-N 3.24Å; D282-A285 VanDerWaalsContact O-N 3.1Å; D282-A285 VanDerWaalsContact OD1-CB 3.23Å; D282-A285 WeakPolarHBondContact OD1-CB 3.37Å; A285-W288 PolarHBondContact O-N 3.45Å; A285-L289 VanDerWaalsContact O-CB 3.28Å; A285-L289 WeakPolarHBondContact O-CB 3.43Å; A285-L289 PolarHBondContact O-N 2.96Å
286	C	89.8	Confident	87.8	Confident	11 Å²	11	27 Å²	27	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-47.2	173.5	-78	0	0	0	0	111.4	L281 D282 L283 W288 L289 E290	L281-C286 WeakPolarHBondContact CB-SG 3.32Å; D282-C286 WeakPolarHBondContact O-CB 3.26Å; D282-C286 PolarHBondContact O-N 3.38Å; D282-C286 PolarHBondContact O-SG 3.38Å; L283-C286 PolarHBondContact O-N 3.18Å; C286-W288 VanDerWaalsContact C-N 3.35Å; C286-L289 PolarHBondContact O-N 3.1Å; C286-E290 WeakPolarHBondContact O-CB 3.47Å; C286-E290 PolarHBondContact O-N 3.36Å
287	V	91	Very high	88	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-40.8	178.6	172.8	0	0	0	0	110.8	L283 D284 E290 E291 F595 K624 L627 K628 I631	L283-V287 VanDerWaalsContact O-CG2 3.29Å; L283-V287 WeakPolarHBondContact O-CG2 3.39Å; L283-V287 PolarHBondContact O-N 3.19Å; D284-V287 PolarHBondContact O-N 3Å; V287-E290 WeakPolarHBondContact O-CB 3.3Å; V287-E290 PolarHBondContact O-N 2.93Å; V287-E291 PolarHBondContact O-N 2.83Å; V287-F595 HydrophobicContact CG2-CE2 3.82Å; V287-F595 HydrophobicContact CG2-CZ 3.57Å; V287-K624 HydrophobicContact CG2-CG 4.01Å; V287-L627 HydrophobicContact CG1-CB 4.43Å; V287-L627 HydrophobicContact CG2-CD1 4.33Å; V287-K628 HydrophobicContact CG1-CD 4.37Å; V287-K628 HydrophobicContact CG1-CG 3.41Å; V287-K628 VanDerWaalsContact CG1-CG 3.41Å; V287-I631 HydrophobicContact CB-CD1 4.41Å; V287-I631 HydrophobicContact CG1-CD1 3.92Å
288	W	92.6	Very high	88.3	Confident	17 Å²	17	36.4 Å²	36.4	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-45.6	175.1	-177.6	87.7	0	0	0	112.2	I233 G236 L237 L265 D284 A285 C286 E290 E291 E292 I631	I233-W288 HydrophobicContact CB-CH2 4.05Å; I233-W288 HydrophobicContact CG1-CH2 4.11Å; I233-W288 HydrophobicContact CG1-CZ2 4.49Å; I233-W288 HydrophobicContact CG2-CH2 3.91Å; G236-W288 VanDerWaalsContact CA-CD2 3.45Å; L237-W288 HydrophobicContact CD1-CZ3 4.47Å; L237-W288 HydrophobicContact CD2-CE3 3.95Å; L237-W288 HydrophobicContact CD2-CZ3 3.83Å; L237-W288 HydrophobicContact CG-CE3 4.13Å; L237-W288 HydrophobicContact CG-CZ3 3.74Å; L265-W288 HydrophobicContact CD1-CH2 4.28Å; L265-W288 HydrophobicContact CD1-CZ3 3.91Å; D284-W288 PolarHBondContact O-N 3.1Å; A285-W288 PolarHBondContact O-N 3.45Å; C286-W288 VanDerWaalsContact C-N 3.35Å; W288-E290 VanDerWaalsContact C-N 3.31Å; W288-E290 PolarHBondContact O-N 3.32Å; W288-E291 PolarHBondContact O-N 3.46Å; W288-E292 HydrophobicContact CD2-CG 3.97Å; W288-E292 HydrophobicContact CE3-CG 4.12Å; W288-E292 HydrophobicContact CH2-CB 4.42Å; W288-E292 HydrophobicContact CH2-CG 3.57Å; W288-E292 HydrophobicContact CZ2-CG 3.4Å; W288-E292 VanDerWaalsContact CZ2-CG 3.4Å; W288-E292 WeakPolarHBondContact CZ2-OE1 3.41Å; W288-E292 HydrophobicContact CZ3-CB 4.46Å; W288-E292 HydrophobicContact CZ3-CG 3.93Å; W288-E292 PolarHBondContact O-N 2.8Å; W288-I631 HydrophobicContact CB-CD1 3.84Å
289	L	93.3	Very high	88.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-38.7	177.8	-178.3	67.5	0	0	0	112	L261 L265 P277 L281 A285 C286 E291 E292 L293 F309	L261-L289 HydrophobicContact CD2-CD1 4.15Å; L261-L289 HydrophobicContact CD2-CD2 3.99Å; L265-L289 HydrophobicContact CD1-CD1 3.74Å; L265-L289 HydrophobicContact CD2-CD1 4.3Å; P277-L289 HydrophobicContact CB-CD2 4.07Å; P277-L289 HydrophobicContact CG-CD2 4.44Å; L281-L289 HydrophobicContact CD1-CB 4.36Å; L281-L289 HydrophobicContact CD1-CD2 3.53Å; A285-L289 VanDerWaalsContact O-CB 3.28Å; A285-L289 WeakPolarHBondContact O-CB 3.43Å; A285-L289 PolarHBondContact O-N 2.96Å; C286-L289 PolarHBondContact O-N 3.1Å; L289-E291 VanDerWaalsContact C-N 3.34Å; L289-E291 PolarHBondContact O-N 3.38Å; L289-E292 PolarHBondContact O-N 3.27Å; L289-L293 HydrophobicContact CD1-CD1 3.91Å; L289-L293 HydrophobicContact CD1-CD2 4.49Å; L289-L293 HydrophobicContact CD1-CG 3.89Å; L289-L293 HydrophobicContact CD2-CD1 4.26Å; L289-L293 HydrophobicContact CG-CD1 3.79Å; L289-L293 HydrophobicContact CG-CG 4.14Å; L289-L293 WeakPolarHBondContact O-CB 3.5Å; L289-L293 WeakPolarHBondContact O-CG 3.24Å; L289-L293 PolarHBondContact O-N 3.05Å; L289-F309 HydrophobicContact CB-CE2 4.5Å; L289-F309 HydrophobicContact CD2-CE2 4.17Å; L289-F309 HydrophobicContact CD2-CZ 3.83Å; L289-F309 HydrophobicContact CG-CE2 4.26Å; L289-F309 HydrophobicContact CG-CZ 4.1Å
290	E	92.4	Very high	89.7	Confident	10 Å²	10	33.3 Å²	33.3	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-55.2	-49.4	174.9	-175.3	-170.5	130.4	0	0	110.6	C286 V287 W288 K294 F309 V313 K624 K628	C286-E290 WeakPolarHBondContact O-CB 3.47Å; C286-E290 PolarHBondContact O-N 3.36Å; V287-E290 WeakPolarHBondContact O-CB 3.3Å; V287-E290 PolarHBondContact O-N 2.93Å; W288-E290 VanDerWaalsContact C-N 3.31Å; W288-E290 PolarHBondContact O-N 3.32Å; E290-K294 VanDerWaalsContact O-CB 3.24Å; E290-K294 WeakPolarHBondContact O-CB 3.49Å; E290-K294 PolarHBondContact O-N 3.29Å; E290-F309 HydrophobicContact CB-CD2 4.24Å; E290-F309 HydrophobicContact CB-CE2 4.15Å; E290-V313 HydrophobicContact CB-CG2 4.38Å; E290-V313 HydrophobicContact CG-CG2 4Å; E290-K624 IonicContact OE1-NZ 3.77Å; E290-K624 PolarHBondContact OE1-NZ 3.49Å; E290-K624 WeakPolarHBondContact OE2-CE 3.29Å; E290-K624 IonicContact OE2-NZ 3.56Å; E290-K624 PolarHBondContact OE2-NZ 3.47Å; E290-K628 IonicContact OE1-NZ 3.49Å; E290-K628 PolarHBondContact OE1-NZ 2.54Å
291	E	91.8	Very high	90.7	Very high	62 Å²	62	29.2 Å²	29.2	29%	0.29	14%	0.141	S	C	.	.	H	α-helix	trans	-69.2	-40	-179.4	-66.4	-58.5	154.8	0	0	112.9	V287 W288 L289 K294 S295 K628	V287-E291 PolarHBondContact O-N 2.83Å; W288-E291 PolarHBondContact O-N 3.46Å; L289-E291 VanDerWaalsContact C-N 3.34Å; L289-E291 PolarHBondContact O-N 3.38Å; E291-K294 PolarHBondContact O-N 2.92Å; E291-K294 IonicContact OE2-NZ 3.17Å; E291-S295 PolarHBondContact O-N 3.12Å; E291-K628 WeakPolarHBondContact OE1-CE 3.45Å; E291-K628 IonicContact OE1-NZ 2.77Å; E291-K628 PolarHBondContact OE1-NZ 2.72Å
292	E	92	Very high	91	Very high	37 Å²	37	29.1 Å²	29.1	17%	0.173	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-45.7	176.5	-76.2	-80.9	162.6	0	0	111.8	R232 W288 L289 K294 S295	R232-E292 IonicContact CZ-OE1 3.12Å; R232-E292 IonicContact NE-OE1 2.81Å; R232-E292 IonicContact NH2-OE1 3.86Å; R232-E292 PolarHBondContact NH2-OE1 3Å; R232-E292 IonicContact NH2-OE2 3.57Å; W288-E292 HydrophobicContact CD2-CG 3.97Å; W288-E292 HydrophobicContact CE3-CG 4.12Å; W288-E292 HydrophobicContact CH2-CB 4.42Å; W288-E292 HydrophobicContact CH2-CG 3.57Å; W288-E292 HydrophobicContact CZ2-CG 3.4Å; W288-E292 VanDerWaalsContact CZ2-CG 3.4Å; W288-E292 WeakPolarHBondContact CZ2-OE1 3.41Å; W288-E292 HydrophobicContact CZ3-CB 4.46Å; W288-E292 HydrophobicContact CZ3-CG 3.93Å; W288-E292 PolarHBondContact O-N 2.8Å; L289-E292 PolarHBondContact O-N 3.27Å; E292-K294 VanDerWaalsContact C-N 3.35Å; E292-K294 PolarHBondContact O-N 2.99Å; E292-S295 PolarHBondContact O-N 2.68Å; E292-S295 PolarHBondContact O-OG 3.42Å
293	L	93.7	Very high	91.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-70.4	-29.2	179	-69.6	179.5	0	0	0	113.1	R108 L265 L272 L274 L289 S295 F296 L300 F309 V313	R108-L293 VanDerWaalsContact CD-O 3.26Å; R108-L293 WeakPolarHBondContact CD-O 3.49Å; L265-L293 HydrophobicContact CD2-CD2 3.75Å; L272-L293 HydrophobicContact CD2-CD2 4.19Å; L274-L293 HydrophobicContact CD1-CD1 3.88Å; L274-L293 HydrophobicContact CD1-CD2 4.12Å; L289-L293 HydrophobicContact CD1-CD1 3.91Å; L289-L293 HydrophobicContact CD1-CD2 4.49Å; L289-L293 HydrophobicContact CD1-CG 3.89Å; L289-L293 HydrophobicContact CD2-CD1 4.26Å; L289-L293 HydrophobicContact CG-CD1 3.79Å; L289-L293 HydrophobicContact CG-CG 4.14Å; L289-L293 WeakPolarHBondContact O-CB 3.5Å; L289-L293 WeakPolarHBondContact O-CG 3.24Å; L289-L293 PolarHBondContact O-N 3.05Å; L293-S295 PolarHBondContact O-N 2.86Å; L293-F296 WeakPolarHBondContact O-CB 3.46Å; L293-F296 PolarHBondContact O-N 3.06Å; L293-L300 HydrophobicContact CB-CD2 4.09Å; L293-L300 HydrophobicContact CD1-CD2 4.45Å; L293-L300 HydrophobicContact CD2-CD1 4.25Å; L293-L300 HydrophobicContact CD2-CD2 4.11Å; L293-L300 HydrophobicContact CG-CD2 4.46Å; L293-F309 HydrophobicContact CD1-CE1 4.37Å; L293-F309 HydrophobicContact CD1-CZ 3.77Å; L293-V313 HydrophobicContact CB-CG1 3.71Å; L293-V313 HydrophobicContact CB-CG2 4.17Å
294	K	92.3	Very high	91.2	Very high	101 Å²	101	29 Å²	29	44%	0.439	14%	0.139	S	C	.	.	H	α-helix	trans	-61.1	-32.6	174.2	-175.3	179.7	179.3	-173.9	0	112.2	R108 E290 E291 E292 F296	R108-K294 PolarHBondContact NH1-O 3.46Å; E290-K294 VanDerWaalsContact O-CB 3.24Å; E290-K294 WeakPolarHBondContact O-CB 3.49Å; E290-K294 PolarHBondContact O-N 3.29Å; E291-K294 PolarHBondContact O-N 2.92Å; E291-K294 IonicContact OE2-NZ 3.17Å; E292-K294 VanDerWaalsContact C-N 3.35Å; E292-K294 PolarHBondContact O-N 2.99Å; K294-F296 VanDerWaalsContact C-N 3.28Å; K294-F296 PolarHBondContact O-N 2.92Å
295	S	89.8	Confident	90.8	Very high	78 Å²	78	28.4 Å²	28.4	55%	0.545	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2	176.1	79.8	0	0	0	0	114.2	E291 E292 L293 K297	E291-S295 PolarHBondContact O-N 3.12Å; E292-S295 PolarHBondContact O-N 2.68Å; E292-S295 PolarHBondContact O-OG 3.42Å; L293-S295 PolarHBondContact O-N 2.86Å; S295-K297 PolarHBondContact O-N 2.89Å
296	F	90.9	Very high	90.3	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.075	14%	0.141	C	C	.	.			trans	-68.4	117	-177.4	-160.7	-96.3	0	0	0	111.1	R108 L272 L293 K294 R298 I299 L300	R108-F296 PolarHBondContact NH1-O 3Å; L272-F296 HydrophobicContact CB-CE1 4.17Å; L272-F296 HydrophobicContact CB-CE2 4.37Å; L272-F296 HydrophobicContact CB-CZ 3.76Å; L272-F296 HydrophobicContact CD2-CE2 4.1Å; L272-F296 HydrophobicContact CD2-CZ 4.33Å; L293-F296 WeakPolarHBondContact O-CB 3.46Å; L293-F296 PolarHBondContact O-N 3.06Å; K294-F296 VanDerWaalsContact C-N 3.28Å; K294-F296 PolarHBondContact O-N 2.92Å; F296-R298 HydrophobicContact CD1-CB 4.31Å; F296-R298 HydrophobicContact CE1-CB 3.69Å; F296-R298 HydrophobicContact CZ-CB 4.22Å; F296-I299 WeakPolarHBondContact CE1-O 3.45Å; F296-L300 HydrophobicContact CD1-CB 3.88Å; F296-L300 HydrophobicContact CE1-CB 4.31Å
297	K	87.6	Confident	90.1	Very high	173 Å²	173	29.5 Å²	29.5	75%	0.752	14%	0.141	S	C	*	.			trans	-90.4	-6.6	-172.3	-62.1	-175	-178.5	176.5	0	115	G106 S295	G106-K297 WeakPolarHBondContact CA-O 3.49Å; G106-K297 PolarHBondContact N-O 2.91Å; S295-K297 PolarHBondContact O-N 2.89Å
298	R	90.8	Very high	89.8	Confident	58 Å²	58	31.2 Å²	31.2	22%	0.219	15%	0.15	C	C	.	.	S	Bend	trans	-110.4	-158.4	-175.6	-60.3	162.9	162.1	-153.9	-2.2	109.8	G106 K268 P269 F270 F296 L300	G106-R298 PolarHBondContact N-O 3.2Å; K268-R298 PolarHBondContact O-NH1 3.21Å; P269-R298 VanDerWaalsContact C-NH1 3.31Å; P269-R298 WeakPolarHBondContact O-CD 3.47Å; P269-R298 PolarHBondContact O-NH1 3.46Å; F270-R298 WeakPolarHBondContact O-CB 3.37Å; F296-R298 HydrophobicContact CD1-CB 4.31Å; F296-R298 HydrophobicContact CE1-CB 3.69Å; F296-R298 HydrophobicContact CZ-CB 4.22Å; R298-L300 PolarHBondContact O-N 3.41Å
299	I	94.6	Very high	89.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.5	-179.5	-55.5	176.8	0	0	0	109.3	V81 L103 F270 M271 L272 F296 V301	V81-I299 HydrophobicContact CG2-CD1 4.38Å; L103-I299 HydrophobicContact CB-CD1 4.36Å; L103-I299 HydrophobicContact CB-CG2 4.11Å; F270-I299 HydrophobicContact CD1-CD1 4.38Å; F270-I299 HydrophobicContact CE1-CD1 4.07Å; F270-I299 HydrophobicContact CE1-CG1 4.28Å; F270-I299 PolarHBondContact O-N 3.01Å; M271-I299 CarbonylContact C-O 3.54Å; M271-I299 WeakPolarHBondContact CA-O 3.44Å; M271-I299 HydrophobicContact CB-CB 4.3Å; M271-I299 HydrophobicContact CE-CD1 3.85Å; M271-I299 HydrophobicContact CE-CG2 4.24Å; M271-I299 HydrophobicContact CG-CB 4.15Å; M271-I299 HydrophobicContact CG-CG2 3.98Å; L272-I299 PolarHBondContact N-O 3.3Å; F296-I299 WeakPolarHBondContact CE1-O 3.45Å; I299-V301 HydrophobicContact CG2-CG2 4.19Å
300	L	96	Very high	89.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	170	177.4	64.4	0	0	0	108.9	R107 R108 Y109 L272 L274 L293 F296 R298 L302 V313	R107-L300 PolarHBondContact O-N 2.98Å; R108-L300 CarbonylContact C-O 3.49Å; R108-L300 WeakPolarHBondContact CA-O 3.33Å; R108-L300 HydrophobicContact CB-CB 4.25Å; R108-L300 HydrophobicContact CB-CD2 4.23Å; R108-L300 HydrophobicContact CG-CB 3.95Å; R108-L300 HydrophobicContact CG-CD2 4.02Å; Y109-L300 PolarHBondContact N-O 3.21Å; L272-L300 HydrophobicContact CB-CD1 3.99Å; L272-L300 HydrophobicContact CD2-CD1 3.96Å; L272-L300 HydrophobicContact CG-CD1 3.95Å; L274-L300 HydrophobicContact CD1-CD1 4.13Å; L274-L300 HydrophobicContact CG-CD1 4.39Å; L293-L300 HydrophobicContact CB-CD2 4.09Å; L293-L300 HydrophobicContact CD1-CD2 4.45Å; L293-L300 HydrophobicContact CD2-CD1 4.25Å; L293-L300 HydrophobicContact CD2-CD2 4.11Å; L293-L300 HydrophobicContact CG-CD2 4.46Å; F296-L300 HydrophobicContact CD1-CB 3.88Å; F296-L300 HydrophobicContact CE1-CB 4.31Å; R298-L300 PolarHBondContact O-N 3.41Å; L300-L302 HydrophobicContact CD2-CD2 3.71Å; L300-L302 HydrophobicContact CG-CD2 3.96Å; L300-V313 HydrophobicContact CD2-CG1 3.67Å
301	V	95.3	Very high	89.5	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.4	168.8	-171.8	0	0	0	0	107.8	L103 Y109 L150 L272 L273 L274 I299	L103-V301 HydrophobicContact CD1-CG2 4.23Å; L103-V301 HydrophobicContact CD2-CG2 3.9Å; Y109-V301 HydrophobicContact CD2-CG2 4.49Å; Y109-V301 WeakPolarHBondContact O-CA 3.41Å; L150-V301 HydrophobicContact CD1-CG1 3.93Å; L272-V301 PolarHBondContact O-N 3.33Å; L273-V301 WeakPolarHBondContact CA-O 3.44Å; L273-V301 HydrophobicContact CD2-CB 3.65Å; L273-V301 HydrophobicContact CD2-CG2 3.8Å; L274-V301 PolarHBondContact N-O 3.11Å; I299-V301 HydrophobicContact CG2-CG2 4.19Å
302	L	92.1	Very high	89.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137	-177.5	70.4	108.3	0	0	0	111.8	Y109 G110 L111 L274 L300 F309 L310 V313	Y109-L302 PolarHBondContact O-N 3.18Å; G110-L302 CarbonylContact C-O 3.59Å; G110-L302 WeakPolarHBondContact CA-O 3.5Å; L111-L302 PolarHBondContact N-O 3.42Å; L274-L302 HydrophobicContact CB-CB 4.42Å; L274-L302 WeakPolarHBondContact O-CA 3.2Å; L300-L302 HydrophobicContact CD2-CD2 3.71Å; L300-L302 HydrophobicContact CG-CD2 3.96Å; L302-F309 HydrophobicContact CD1-CD1 4.12Å; L302-F309 HydrophobicContact CD1-CE1 4.06Å; L302-L310 HydrophobicContact CD1-CD2 3.59Å; L302-V313 HydrophobicContact CD2-CB 4.32Å; L302-V313 HydrophobicContact CD2-CG1 3.69Å
303	I	88.4	Confident	89.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.1	165.7	-56.5	170	0	0	0	106.4	L111 K146 L150 L274 D275 E276 P277	L111-I303 HydrophobicContact CB-CG1 4.09Å; L111-I303 HydrophobicContact CD2-CD1 4.27Å; L111-I303 HydrophobicContact CD2-CG1 4.08Å; L111-I303 HydrophobicContact CG-CG1 4.43Å; K146-I303 HydrophobicContact CB-CD1 3.65Å; K146-I303 HydrophobicContact CB-CG1 4.28Å; K146-I303 HydrophobicContact CB-CG2 4.5Å; K146-I303 HydrophobicContact CD-CG2 4.29Å; L150-I303 HydrophobicContact CD1-CD1 3.88Å; L150-I303 HydrophobicContact CD1-CG1 4.05Å; L150-I303 HydrophobicContact CD2-CD1 3.67Å; L150-I303 HydrophobicContact CD2-CG1 3.86Å; L150-I303 HydrophobicContact CG-CD1 4.22Å; L274-I303 PolarHBondContact O-N 3.14Å; D275-I303 HydrophobicContact CB-CD1 4.46Å; D275-I303 WeakPolarHBondContact OD1-CD1 3.39Å; E276-I303 VanDerWaalsContact CA-O 3.3Å; E276-I303 WeakPolarHBondContact CA-O 3.49Å; E276-I303 HydrophobicContact CG-CG2 4.45Å; E276-I303 PolarHBondContact N-O 2.71Å; E276-I303 WeakPolarHBondContact OE1-CG2 3.36Å; P277-I303 WeakPolarHBondContact CD-O 3.4Å
304	S	84.4	Confident	89.6	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.028	15%	0.145	C	C	.	.			trans	-147.4	140.5	172.5	-174.4	0	0	0	0	110.6	E276 S306	E276-S304 WeakPolarHBondContact OE1-CA 3.4Å; E276-S304 PolarHBondContact OE1-N 3.24Å; E276-S304 WeakPolarHBondContact OE2-CA 3.45Å; S304-S306 VanDerWaalsContact C-N 3.34Å; S304-S306 PolarHBondContact OG-N 3.43Å; S304-S306 VanDerWaalsContact OG-N 3.1Å
305	H	77.6	Confident	89.7	Confident	23 Å²	23	25 Å²	25	11%	0.106	13%	0.133	C	C	.	.	S	Bend	trans	-85.9	-4.8	168.2	-73.6	-68.9	0	0	0	113	N115 K146 E276 D570 I571	N115-H305 PolarHBondContact ND2-CE1 3.34Å; N115-H305 PolarHBondContact ND2-NE2 3.4Å; N115-H305 PolarHBondContact OD1-CE1 3.47Å; K146-H305 PolarHBondContact NZ-CE1 2.76Å; E276-H305 IonicContact OE1-CD2 3.86Å; E276-H305 PolarHBondContact OE1-CD2 3.03Å; E276-H305 IonicContact OE1-CG 3.82Å; E276-H305 PolarHBondContact OE1-N 3.14Å; E276-H305 IonicContact OE1-NE2 2.88Å; E276-H305 IonicContact OE2-CD2 3.81Å; E276-H305 PolarHBondContact OE2-N 3.22Å; H305-D570 IonicContact CE1-OD1 2.91Å; H305-D570 PolarHBondContact CE1-OD1 3.16Å; H305-I571 VanDerWaalsContact O-CG1 3.31Å; H305-I571 WeakPolarHBondContact O-CG1 3.48Å
306	S	80.6	Confident	90	Very high	17 Å²	17	21.9 Å²	21.9	12%	0.119	11%	0.11	C	C	.	.			trans	-91.6	115.4	178.6	179.9	0	0	0	0	111.7	S304 F309 L310	S304-S306 VanDerWaalsContact C-N 3.34Å; S304-S306 PolarHBondContact OG-N 3.43Å; S304-S306 VanDerWaalsContact OG-N 3.1Å; S306-F309 PolarHBondContact O-N 3.43Å; S306-F309 PolarHBondContact OG-N 2.94Å; S306-L310 WeakPolarHBondContact O-CG 3.32Å; S306-L310 PolarHBondContact O-N 3.45Å; S306-L310 VanDerWaalsContact O-N 3.1Å
307	Q	84.3	Confident	90.2	Very high	17 Å²	17	21 Å²	21	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-42.8	177.8	-63.4	-170.8	3.8	0	0	112.2	F309 L310 N311 Y332 I571 R596	Q307-F309 VanDerWaalsContact C-N 3.31Å; Q307-F309 PolarHBondContact O-N 2.93Å; Q307-L310 PolarHBondContact O-N 3.25Å; Q307-N311 WeakPolarHBondContact O-CB 3.33Å; Q307-N311 PolarHBondContact O-N 2.95Å; Q307-N311 PolarHBondContact O-ND2 2.71Å; Q307-Y332 HydrophobicContact CB-CD1 4.03Å; Q307-Y332 HydrophobicContact CB-CE1 4.19Å; Q307-Y332 HydrophobicContact CG-CD1 3.87Å; Q307-Y332 HydrophobicContact CG-CE1 3.5Å; Q307-I571 HydrophobicContact CG-CD1 4.35Å; Q307-I571 HydrophobicContact CG-CG2 4.12Å; Q307-R596 VanDerWaalsContact NE2-CZ 3.28Å
308	D	86.4	Confident	90.5	Very high	36 Å²	36	13 Å²	13	19%	0.193	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-39.3	-180	-73.7	-40.3	0	0	0	112.1	N311 G312 F595 R596	D308-N311 PolarHBondContact O-N 3.17Å; D308-G312 PolarHBondContact O-N 2.87Å; D308-F595 WeakPolarHBondContact OD2-CB 3.2Å; D308-R596 WeakPolarHBondContact OD2-CB 3.28Å; D308-R596 PolarHBondContact OD2-N 3.27Å
309	F	88.1	Confident	90.4	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.022	6%	0.064	C	C	.	.	H	α-helix	trans	-67.2	-45.2	176.8	-169.5	-103.6	0	0	0	111.6	P277 T278 L289 E290 L293 L302 S306 Q307 N311 G312 V313	P277-F309 HydrophobicContact CG-CE1 4.07Å; P277-F309 HydrophobicContact CG-CZ 4.34Å; T278-F309 HydrophobicContact CG2-CD1 4.11Å; T278-F309 HydrophobicContact CG2-CD2 3.87Å; T278-F309 HydrophobicContact CG2-CE1 4.22Å; T278-F309 HydrophobicContact CG2-CE2 3.99Å; T278-F309 HydrophobicContact CG2-CG 3.92Å; T278-F309 HydrophobicContact CG2-CZ 4.14Å; L289-F309 HydrophobicContact CB-CE2 4.5Å; L289-F309 HydrophobicContact CD2-CE2 4.17Å; L289-F309 HydrophobicContact CD2-CZ 3.83Å; L289-F309 HydrophobicContact CG-CE2 4.26Å; L289-F309 HydrophobicContact CG-CZ 4.1Å; E290-F309 HydrophobicContact CB-CD2 4.24Å; E290-F309 HydrophobicContact CB-CE2 4.15Å; L293-F309 HydrophobicContact CD1-CE1 4.37Å; L293-F309 HydrophobicContact CD1-CZ 3.77Å; L302-F309 HydrophobicContact CD1-CD1 4.12Å; L302-F309 HydrophobicContact CD1-CE1 4.06Å; S306-F309 PolarHBondContact O-N 3.43Å; S306-F309 PolarHBondContact OG-N 2.94Å; Q307-F309 VanDerWaalsContact C-N 3.31Å; Q307-F309 PolarHBondContact O-N 2.93Å; F309-N311 VanDerWaalsContact C-N 3.27Å; F309-N311 PolarHBondContact O-N 3.34Å; F309-G312 PolarHBondContact O-N 2.99Å; F309-V313 HydrophobicContact CD2-CG2 4.47Å; F309-V313 HydrophobicContact CE1-CG2 4.33Å; F309-V313 HydrophobicContact CE2-CG2 4.21Å; F309-V313 HydrophobicContact CZ-CG2 4.16Å; F309-V313 PolarHBondContact O-N 3.33Å
310	L	90.8	Very high	90	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.7	-40.4	173.5	-69.8	171.5	0	0	0	111.4	I112 L302 S306 Q307 C314 Y332	I112-L310 HydrophobicContact CG2-CD1 3.88Å; L302-L310 HydrophobicContact CD1-CD2 3.59Å; S306-L310 WeakPolarHBondContact O-CG 3.32Å; S306-L310 PolarHBondContact O-N 3.45Å; S306-L310 VanDerWaalsContact O-N 3.1Å; Q307-L310 PolarHBondContact O-N 3.25Å; L310-C314 WeakPolarHBondContact O-CB 3.41Å; L310-C314 PolarHBondContact O-N 3.28Å; L310-Y332 HydrophobicContact CD1-CD2 3.73Å; L310-Y332 HydrophobicContact CD1-CE2 4.25Å; L310-Y332 HydrophobicContact CD1-CG 4.36Å
311	N	91.4	Very high	89.4	Confident	32 Å²	32	12.9 Å²	12.9	17%	0.171	7%	0.074	C	C	.	.	H	α-helix	trans	-67.7	-35.6	178.3	-82.8	-33	0	0	0	113.4	Q307 D308 F309 N331 Y332 D333	Q307-N311 WeakPolarHBondContact O-CB 3.33Å; Q307-N311 PolarHBondContact O-N 2.95Å; Q307-N311 PolarHBondContact O-ND2 2.71Å; D308-N311 PolarHBondContact O-N 3.17Å; F309-N311 VanDerWaalsContact C-N 3.27Å; F309-N311 PolarHBondContact O-N 3.34Å; N311-N331 WeakPolarHBondContact OD1-CB 3.47Å; N311-Y332 WeakPolarHBondContact OD1-CA 3.37Å; N311-Y332 VanDerWaalsContact OD1-CB 3.26Å; N311-Y332 WeakPolarHBondContact OD1-CB 3.43Å; N311-Y332 PolarHBondContact OD1-N 2.85Å; N311-D333 PolarHBondContact ND2-OD1 3.08Å; N311-D333 PolarHBondContact ND2-OD2 3.18Å; N311-D333 PolarHBondContact OD1-N 3.07Å
312	G	90.6	Very high	88.6	Confident	20 Å²	20	18.5 Å²	18.5	21%	0.206	10%	0.1	C	C	.	.	H	α-helix	trans	-74.9	-34.7	178.9	0	0	0	0	0	113.9	D308 F309	D308-G312 PolarHBondContact O-N 2.87Å; F309-G312 PolarHBondContact O-N 2.99Å
313	V	94	Very high	88.3	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-103.2	-46.3	-171.3	-177.7	0	0	0	0	113.2	R108 E290 L293 L300 L302 F309	R108-V313 WeakPolarHBondContact CD-O 3.34Å; R108-V313 PolarHBondContact NE-O 3.44Å; E290-V313 HydrophobicContact CB-CG2 4.38Å; E290-V313 HydrophobicContact CG-CG2 4Å; L293-V313 HydrophobicContact CB-CG1 3.71Å; L293-V313 HydrophobicContact CB-CG2 4.17Å; L300-V313 HydrophobicContact CD2-CG1 3.67Å; L302-V313 HydrophobicContact CD2-CB 4.32Å; L302-V313 HydrophobicContact CD2-CG1 3.69Å; F309-V313 HydrophobicContact CD2-CG2 4.47Å; F309-V313 HydrophobicContact CE1-CG2 4.33Å; F309-V313 HydrophobicContact CE2-CG2 4.21Å; F309-V313 HydrophobicContact CZ-CG2 4.16Å; F309-V313 PolarHBondContact O-N 3.33Å
314	C	94.9	Very high	88.2	Confident	9 Å²	9	28 Å²	28	6%	0.061	14%	0.139	C	C	.	.			trans	-77.5	141.5	-165.9	-60.1	0	0	0	0	113.3	R108 G110 L310 I317	R108-C314 WeakPolarHBondContact O-CA 3.24Å; G110-C314 VanDerWaalsContact CA-SG 3.5Å; G110-C314 PolarHBondContact N-SG 3.48Å; G110-C314 VanDerWaalsContact N-SG 3.45Å; L310-C314 WeakPolarHBondContact O-CB 3.41Å; L310-C314 PolarHBondContact O-N 3.28Å; C314-I317 HydrophobicContact CB-CD1 4.03Å
315	T	94.9	Very high	88.6	Confident	30 Å²	30	28.4 Å²	28.4	18%	0.184	14%	0.14	C	C	.	.	S	Bend	trans	-99.3	-22.3	169.3	60	0	0	0	0	112.6	R108 G330	R108-T315 HydrophobicContact CB-CG2 4.49Å; R108-T315 PolarHBondContact N-OG1 3.5Å; R108-T315 PolarHBondContact O-N 3.48Å; R108-T315 PolarHBondContact O-OG1 2.83Å; T315-G330 CarbonylContact C-O 3.23Å; T315-G330 VanDerWaalsContact C-O 3.23Å; T315-G330 CarbonylContact O-C 3.51Å; T315-G330 WeakPolarHBondContact O-CA 3.5Å; T315-G330 PolarHBondContact O-N 2.98Å; T315-G330 VanDerWaalsContact O-O 3.07Å
316	N	95.8	Very high	89.2	Confident	13 Å²	13	31.4 Å²	31.4	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.4	-176.4	-67.1	85	0	0	0	109	R108 Y109 G110 Y328 G330	R108-N316 PolarHBondContact O-N 2.8Å; R108-N316 VanDerWaalsContact O-N 3.12Å; Y109-N316 CarbonylContact C-O 3.07Å; Y109-N316 WeakPolarHBondContact CA-O 3.21Å; Y109-N316 HydrophobicContact CD1-CB 3.6Å; Y109-N316 HydrophobicContact CE1-CB 3.74Å; G110-N316 PolarHBondContact N-O 3.25Å; N316-Y328 WeakPolarHBondContact CA-O 3.37Å; N316-G330 PolarHBondContact N-O 3.01Å
317	I	95.1	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.1	176.2	-60.7	-62.2	0	0	0	108.7	G110 I112 C314 Y328 Y335	G110-I317 CarbonylContact O-C 3.58Å; G110-I317 WeakPolarHBondContact O-CA 3.47Å; I112-I317 HydrophobicContact CD1-CG2 3.34Å; I112-I317 HydrophobicContact CG1-CG2 3.6Å; I112-I317 HydrophobicContact CG2-CG2 4.43Å; C314-I317 HydrophobicContact CB-CD1 4.03Å; I317-Y328 PolarHBondContact N-O 2.92Å; I317-Y328 PolarHBondContact O-N 2.82Å; I317-Y335 HydrophobicContact CB-CG 4.31Å; I317-Y335 HydrophobicContact CG2-CD1 4.3Å; I317-Y335 HydrophobicContact CG2-CD2 4.11Å; I317-Y335 HydrophobicContact CG2-CG 3.94Å
318	I	93.9	Very high	90.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.8	171.7	-53.1	-179.3	0	0	0	106.9	L103 Y109 G110 L111 I112 L325 Y327	L103-I318 HydrophobicContact CD2-CD1 4.04Å; Y109-I318 HydrophobicContact CD1-CD1 3.69Å; Y109-I318 HydrophobicContact CD1-CG1 3.76Å; Y109-I318 HydrophobicContact CE1-CD1 4.5Å; Y109-I318 HydrophobicContact CG-CD1 3.93Å; Y109-I318 HydrophobicContact CG-CG1 4.33Å; G110-I318 PolarHBondContact O-N 3.28Å; L111-I318 WeakPolarHBondContact CA-O 3.48Å; L111-I318 HydrophobicContact CD1-CB 3.88Å; L111-I318 HydrophobicContact CD1-CG2 3.72Å; I112-I318 PolarHBondContact N-O 3.48Å; I318-L325 HydrophobicContact CG2-CB 4.09Å; I318-L325 HydrophobicContact CG2-CD2 3.87Å; I318-L325 HydrophobicContact CG2-CG 4.41Å; I318-Y327 HydrophobicContact CD1-CD1 4.45Å; I318-Y327 HydrophobicContact CD1-CE1 3.66Å; I318-Y327 HydrophobicContact CG1-CD1 3.94Å; I318-Y327 HydrophobicContact CG1-CE1 3.62Å; I318-Y327 HydrophobicContact CG2-CE1 4.4Å
319	H	90.2	Very high	90.7	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.5	177.7	-174.3	-157	0	0	0	110.1	I112 H321 K326 Y328 Y335 R339	I112-H319 HydrophobicContact CD1-CB 4.39Å; I112-H319 HydrophobicContact CG1-CB 4.16Å; H319-H321 AromaticContact CE1-CG 3.96Å; H319-H321 PolarHBondContact O-N 2.98Å; H319-K326 PolarHBondContact N-O 3.2Å; H319-K326 PolarHBondContact O-N 2.83Å; H319-Y328 HydrophobicContact CB-CD2 4.22Å; H319-Y328 HydrophobicContact CB-CE2 3.75Å; H319-Y335 HydrophobicContact CB-CE2 4.09Å; H319-Y335 PolarHBondContact CE1-OH 2.9Å; H319-Y335 AromaticContact ND1-CE2 3.96Å; H319-Y335 PolarHBondContact ND1-OH 2.84Å; H319-R339 PolarHBondContact CE1-NH1 3.15Å
320	L	85.8	Confident	90.9	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	102.7	170.2	177.2	64.5	0	0	0	109.5	L96 I112 K146 L325	L96-L320 HydrophobicContact CD2-CD1 3.26Å; L96-L320 HydrophobicContact CG-CD1 4.35Å; I112-L320 PolarHBondContact O-N 3.48Å; K146-L320 HydrophobicContact CG-CD2 4.12Å; L320-L325 HydrophobicContact CB-CD2 4.33Å; L320-L325 HydrophobicContact CD1-CD2 3.87Å
321	H	82.3	Confident	90.9	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.181	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.7	-179.4	-170.9	75.9	0	0	0	110.9	H319 R323 K324	H319-H321 AromaticContact CE1-CG 3.96Å; H319-H321 PolarHBondContact O-N 2.98Å; H321-R323 VanDerWaalsContact C-N 3.27Å; H321-R323 PolarHBondContact O-N 3.05Å; H321-K324 PolarHBondContact N-O 2.8Å; H321-K324 PolarHBondContact O-N 3.23Å; H321-K324 VanDerWaalsContact O-O 3.11Å
322	Q	79.6	Confident	90.8	Very high	123 Å²	123	39.4 Å²	39.4	58%	0.575	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	42.9	-179.8	-67	171.6	-11	0	0	113.7	K324	Q322-K324 PolarHBondContact O-N 3.38Å
323	R	84.5	Confident	90.8	Very high	87 Å²	87	41.9 Å²	41.9	33%	0.328	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	18.2	-178.1	-48.6	-180	-171.5	173.1	3.4	114.9	E94 L95 L96 A97 C120 H321	E94-R323 PolarHBondContact O-NE 3.46Å; E94-R323 IonicContact OE2-CZ 2.65Å; E94-R323 IonicContact OE2-NH1 3.87Å; E94-R323 PolarHBondContact OE2-NH1 3.45Å; L95-R323 WeakPolarHBondContact O-CA 3.44Å; L95-R323 WeakPolarHBondContact O-CB 3.07Å; L96-R323 VanDerWaalsContact CA-O 3.31Å; L96-R323 WeakPolarHBondContact CA-O 3.46Å; A97-R323 HydrophobicContact CB-CB 4.23Å; A97-R323 PolarHBondContact N-O 3.31Å; C120-R323 PolarHBondContact SG-NH2 3.35Å; H321-R323 VanDerWaalsContact C-N 3.27Å; H321-R323 PolarHBondContact O-N 3.05Å
324	K	87.6	Confident	90.7	Very high	113 Å²	113	46.7 Å²	46.7	49%	0.491	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.2	175.7	-65.3	-169.8	175.8	-169.2	0	110.9	H321 Q322	H321-K324 PolarHBondContact N-O 2.8Å; H321-K324 PolarHBondContact O-N 3.23Å; H321-K324 VanDerWaalsContact O-O 3.11Å; Q322-K324 PolarHBondContact O-N 3.38Å
325	L	91.5	Very high	90.6	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.5	172.9	-59.3	175.1	0	0	0	108.6	L96 T99 L101 L111 L149 I318 L320 Y327	L96-L325 HydrophobicContact CD1-CD1 4.39Å; L96-L325 HydrophobicContact CD2-CD2 4.01Å; L96-L325 HydrophobicContact CD2-CG 4.04Å; T99-L325 HydrophobicContact CG2-CB 4.46Å; T99-L325 HydrophobicContact CG2-CD1 3.96Å; T99-L325 HydrophobicContact CG2-CG 3.96Å; T99-L325 PolarHBondContact OG1-N 2.84Å; L101-L325 HydrophobicContact CB-CD1 4.36Å; L101-L325 HydrophobicContact CD1-CD1 4.14Å; L111-L325 HydrophobicContact CD1-CD2 4.45Å; L149-L325 HydrophobicContact CD2-CD1 4.1Å; L149-L325 HydrophobicContact CD2-CD2 4.06Å; I318-L325 HydrophobicContact CG2-CB 4.09Å; I318-L325 HydrophobicContact CG2-CD2 3.87Å; I318-L325 HydrophobicContact CG2-CG 4.41Å; L320-L325 HydrophobicContact CB-CD2 4.33Å; L320-L325 HydrophobicContact CD1-CD2 3.87Å; L325-Y327 HydrophobicContact CB-CE2 4.21Å
326	K	91.2	Very high	90.3	Very high	86 Å²	86	48.1 Å²	48.1	37%	0.374	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.2	172.9	-68.3	-175.1	-179	179.8	0	109.7	H319 Y328	H319-K326 PolarHBondContact N-O 3.2Å; H319-K326 PolarHBondContact O-N 2.83Å; K326-Y328 HydrophobicContact CB-CE2 3.77Å
327	Y	93.6	Very high	90.1	Very high	65 Å²	65	54.1 Å²	54.1	26%	0.255	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134	-177	-69.3	-93.5	0	0	0	111.2	L101 E102 Y109 I318 L325	L101-Y327 VanDerWaalsContact CA-OH 3.31Å; L101-Y327 WeakPolarHBondContact CA-OH 3.23Å; L101-Y327 WeakPolarHBondContact CD1-OH 3.45Å; E102-Y327 HydrophobicContact CB-CE1 4.3Å; E102-Y327 PolarHBondContact N-OH 3.5Å; E102-Y327 VanDerWaalsContact O-CE1 3.27Å; E102-Y327 WeakPolarHBondContact O-CE1 3.41Å; E102-Y327 PolarHBondContact O-OH 2.93Å; Y109-Y327 HydrophobicContact CE1-CD1 4.44Å; Y109-Y327 HydrophobicContact CE1-CE1 4.35Å; I318-Y327 HydrophobicContact CD1-CD1 4.45Å; I318-Y327 HydrophobicContact CD1-CE1 3.66Å; I318-Y327 HydrophobicContact CG1-CD1 3.94Å; I318-Y327 HydrophobicContact CG1-CE1 3.62Å; I318-Y327 HydrophobicContact CG2-CE1 4.4Å; L325-Y327 HydrophobicContact CB-CE2 4.21Å
328	Y	94.4	Very high	89.9	Confident	26 Å²	26	56.8 Å²	56.8	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.2	173.6	-60	-95	0	0	0	108.6	N316 I317 H319 K326 Y335 T338 L342	N316-Y328 WeakPolarHBondContact CA-O 3.37Å; I317-Y328 PolarHBondContact N-O 2.92Å; I317-Y328 PolarHBondContact O-N 2.82Å; H319-Y328 HydrophobicContact CB-CD2 4.22Å; H319-Y328 HydrophobicContact CB-CE2 3.75Å; K326-Y328 HydrophobicContact CB-CE2 3.77Å; Y328-Y335 AromaticContact CD1-CD2 3.96Å; Y328-Y335 HydrophobicContact CD1-CD2 3.96Å; Y328-Y335 AromaticContact CD2-CD2 3.52Å; Y328-Y335 HydrophobicContact CD2-CD2 3.52Å; Y328-Y335 AromaticContact CD2-CE2 3.85Å; Y328-Y335 HydrophobicContact CD2-CE2 3.85Å; Y328-Y335 HydrophobicContact CE1-CD2 4.26Å; Y328-Y335 AromaticContact CE2-CD2 3.87Å; Y328-Y335 HydrophobicContact CE2-CD2 3.87Å; Y328-Y335 AromaticContact CE2-CE2 3.74Å; Y328-Y335 HydrophobicContact CE2-CE2 3.74Å; Y328-Y335 AromaticContact CG-CD2 3.58Å; Y328-Y335 HydrophobicContact CG-CD2 3.58Å; Y328-Y335 HydrophobicContact CG-CE2 4.31Å; Y328-T338 HydrophobicContact CD1-CG2 4.17Å; Y328-T338 HydrophobicContact CE1-CG2 4.45Å; Y328-L342 HydrophobicContact CE1-CD1 3.97Å
329	T	93.4	Very high	89.6	Confident	111 Å²	111	58.8 Å²	58.8	68%	0.681	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.9	174.4	-58.4	0	0	0	0	108.6
330	G	92.3	Very high	89.5	Confident	10 Å²	10	60.7 Å²	60.7	10%	0.103	30%	0.3	C	S	.	.	S	Bend	trans	118.6	-178.8	-177.1	0	0	0	0	0	114	T315 N316	T315-G330 CarbonylContact C-O 3.23Å; T315-G330 VanDerWaalsContact C-O 3.23Å; T315-G330 CarbonylContact O-C 3.51Å; T315-G330 WeakPolarHBondContact O-CA 3.5Å; T315-G330 PolarHBondContact O-N 2.98Å; T315-G330 VanDerWaalsContact O-O 3.07Å; N316-G330 PolarHBondContact N-O 3.01Å
331	N	91.1	Very high	89.7	Confident	42 Å²	42	66 Å²	66	23%	0.225	33%	0.325	C	S	.	.			trans	-77.7	179.7	174.1	70.9	-2.2	0	0	0	111.7	N311 D333 Q334 Y335	N311-N331 WeakPolarHBondContact OD1-CB 3.47Å; N331-D333 PolarHBondContact O-N 3.28Å; N331-D333 PolarHBondContact OD1-N 2.83Å; N331-Q334 PolarHBondContact O-N 2.92Å; N331-Q334 WeakPolarHBondContact OD1-CB 3.4Å; N331-Q334 WeakPolarHBondContact OD1-CG 3.45Å; N331-Q334 PolarHBondContact OD1-N 2.86Å; N331-Y335 PolarHBondContact O-N 3.2Å
332	Y	90.3	Very high	90	Very high	22 Å²	22	68.6 Å²	68.6	9%	0.086	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-41.7	-178.3	-176.4	-91.6	0	0	0	112.3	I112 Q307 L310 N311 Q334 Y335 V336 I571	I112-Y332 HydrophobicContact CD1-CD2 4.46Å; I112-Y332 HydrophobicContact CD1-CE2 4.05Å; I112-Y332 HydrophobicContact CG2-CE2 4.39Å; Q307-Y332 HydrophobicContact CB-CD1 4.03Å; Q307-Y332 HydrophobicContact CB-CE1 4.19Å; Q307-Y332 HydrophobicContact CG-CD1 3.87Å; Q307-Y332 HydrophobicContact CG-CE1 3.5Å; L310-Y332 HydrophobicContact CD1-CD2 3.73Å; L310-Y332 HydrophobicContact CD1-CE2 4.25Å; L310-Y332 HydrophobicContact CD1-CG 4.36Å; N311-Y332 WeakPolarHBondContact OD1-CA 3.37Å; N311-Y332 VanDerWaalsContact OD1-CB 3.26Å; N311-Y332 WeakPolarHBondContact OD1-CB 3.43Å; N311-Y332 PolarHBondContact OD1-N 2.85Å; Y332-Q334 PolarHBondContact O-N 2.92Å; Y332-Y335 HydrophobicContact CD2-CD1 4.02Å; Y332-Y335 HydrophobicContact CD2-CE1 4.49Å; Y332-Y335 AromaticContact CE2-CD1 4Å; Y332-Y335 HydrophobicContact CE2-CD1 4Å; Y332-Y335 HydrophobicContact CE2-CE1 4.02Å; Y332-Y335 WeakPolarHBondContact O-CA 3.49Å; Y332-Y335 VanDerWaalsContact O-CB 3.29Å; Y332-Y335 WeakPolarHBondContact O-CB 3.44Å; Y332-Y335 PolarHBondContact O-N 2.79Å; Y332-Y335 VanDerWaalsContact O-N 3.14Å; Y332-V336 HydrophobicContact CD1-CG2 3.89Å; Y332-V336 HydrophobicContact CE1-CG2 3.41Å; Y332-V336 VanDerWaalsContact CE1-CG2 3.41Å; Y332-V336 WeakPolarHBondContact O-CG2 3.26Å; Y332-V336 PolarHBondContact O-N 2.82Å; Y332-I571 HydrophobicContact CE2-CD1 4.04Å
333	D	90.7	Very high	90.4	Very high	72 Å²	72	65.3 Å²	65.3	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-41.2	179.1	-67.8	-7.2	0	0	0	112.7	N311 N331 Y335 V336 K337	N311-D333 PolarHBondContact ND2-OD1 3.08Å; N311-D333 PolarHBondContact ND2-OD2 3.18Å; N311-D333 PolarHBondContact OD1-N 3.07Å; N331-D333 PolarHBondContact O-N 3.28Å; N331-D333 PolarHBondContact OD1-N 2.83Å; D333-Y335 VanDerWaalsContact C-N 3.32Å; D333-V336 PolarHBondContact O-N 2.89Å; D333-K337 WeakPolarHBondContact O-CG 3.12Å; D333-K337 PolarHBondContact O-N 2.78Å; D333-K337 VanDerWaalsContact O-N 3.1Å
334	Q	91.8	Very high	90.6	Very high	101 Å²	101	66.3 Å²	66.3	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-39.7	174.5	-74.8	170.1	-11.7	0	0	111	N331 Y332 T338	N331-Q334 PolarHBondContact O-N 2.92Å; N331-Q334 WeakPolarHBondContact OD1-CB 3.4Å; N331-Q334 WeakPolarHBondContact OD1-CG 3.45Å; N331-Q334 PolarHBondContact OD1-N 2.86Å; Y332-Q334 PolarHBondContact O-N 2.92Å; Q334-T338 VanDerWaalsContact O-CB 3.29Å; Q334-T338 WeakPolarHBondContact O-CB 3.29Å; Q334-T338 PolarHBondContact O-N 3.07Å; Q334-T338 PolarHBondContact O-OG1 3.48Å
335	Y	92.4	Very high	90.7	Very high	6 Å²	6	64.8 Å²	64.8	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-50.2	172.5	151.6	-99.8	0	0	0	111.8	I112 I317 H319 Y328 N331 Y332 D333 K337 T338 R339	I112-Y335 HydrophobicContact CD1-CD1 3.76Å; I112-Y335 HydrophobicContact CD1-CD2 4.44Å; I112-Y335 HydrophobicContact CD1-CE1 3.21Å; I112-Y335 HydrophobicContact CD1-CE2 3.94Å; I112-Y335 HydrophobicContact CD1-CG 4.34Å; I112-Y335 WeakPolarHBondContact CD1-OH 3.24Å; I317-Y335 HydrophobicContact CB-CG 4.31Å; I317-Y335 HydrophobicContact CG2-CD1 4.3Å; I317-Y335 HydrophobicContact CG2-CD2 4.11Å; I317-Y335 HydrophobicContact CG2-CG 3.94Å; H319-Y335 HydrophobicContact CB-CE2 4.09Å; H319-Y335 PolarHBondContact CE1-OH 2.9Å; H319-Y335 AromaticContact ND1-CE2 3.96Å; H319-Y335 PolarHBondContact ND1-OH 2.84Å; Y328-Y335 AromaticContact CD1-CD2 3.96Å; Y328-Y335 HydrophobicContact CD1-CD2 3.96Å; Y328-Y335 AromaticContact CD2-CD2 3.52Å; Y328-Y335 HydrophobicContact CD2-CD2 3.52Å; Y328-Y335 AromaticContact CD2-CE2 3.85Å; Y328-Y335 HydrophobicContact CD2-CE2 3.85Å; Y328-Y335 HydrophobicContact CE1-CD2 4.26Å; Y328-Y335 AromaticContact CE2-CD2 3.87Å; Y328-Y335 HydrophobicContact CE2-CD2 3.87Å; Y328-Y335 AromaticContact CE2-CE2 3.74Å; Y328-Y335 HydrophobicContact CE2-CE2 3.74Å; Y328-Y335 AromaticContact CG-CD2 3.58Å; Y328-Y335 HydrophobicContact CG-CD2 3.58Å; Y328-Y335 HydrophobicContact CG-CE2 4.31Å; N331-Y335 PolarHBondContact O-N 3.2Å; Y332-Y335 HydrophobicContact CD2-CD1 4.02Å; Y332-Y335 HydrophobicContact CD2-CE1 4.49Å; Y332-Y335 AromaticContact CE2-CD1 4Å; Y332-Y335 HydrophobicContact CE2-CD1 4Å; Y332-Y335 HydrophobicContact CE2-CE1 4.02Å; Y332-Y335 WeakPolarHBondContact O-CA 3.49Å; Y332-Y335 VanDerWaalsContact O-CB 3.29Å; Y332-Y335 WeakPolarHBondContact O-CB 3.44Å; Y332-Y335 PolarHBondContact O-N 2.79Å; Y332-Y335 VanDerWaalsContact O-N 3.14Å; D333-Y335 VanDerWaalsContact C-N 3.32Å; Y335-K337 VanDerWaalsContact C-N 3.33Å; Y335-K337 PolarHBondContact O-N 3.3Å; Y335-T338 PolarHBondContact O-N 2.97Å; Y335-R339 HydrophobicContact CE2-CB 4.18Å; Y335-R339 VanDerWaalsContact O-CB 3.24Å; Y335-R339 WeakPolarHBondContact O-CB 3.48Å; Y335-R339 PolarHBondContact O-N 2.91Å; Y335-R339 VanDerWaalsContact OH-CD 3.3Å; Y335-R339 WeakPolarHBondContact OH-CD 3.43Å; Y335-R339 PolarHBondContact OH-NH1 2.93Å
336	V	88.9	Confident	90.4	Very high	64 Å²	64	67.3 Å²	67.3	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-59.3	-45.5	-178.5	173.1	0	0	0	0	110.8	Y332 D333 R339 A340	Y332-V336 HydrophobicContact CD1-CG2 3.89Å; Y332-V336 HydrophobicContact CE1-CG2 3.41Å; Y332-V336 VanDerWaalsContact CE1-CG2 3.41Å; Y332-V336 WeakPolarHBondContact O-CG2 3.26Å; Y332-V336 PolarHBondContact O-N 2.82Å; D333-V336 PolarHBondContact O-N 2.89Å; V336-R339 PolarHBondContact O-N 2.79Å; V336-A340 WeakPolarHBondContact O-CB 3.23Å; V336-A340 PolarHBondContact O-N 2.8Å
337	K	91.3	Very high	90.3	Very high	139 Å²	139	65.7 Å²	65.7	60%	0.604	34%	0.335	S	S	*	.	H	α-helix	trans	-62.1	-51.2	176.7	-69.7	176	-176	177.8	0	112	D333 Y335 R339 A340 E341	D333-K337 WeakPolarHBondContact O-CG 3.12Å; D333-K337 PolarHBondContact O-N 2.78Å; D333-K337 VanDerWaalsContact O-N 3.1Å; Y335-K337 VanDerWaalsContact C-N 3.33Å; Y335-K337 PolarHBondContact O-N 3.3Å; K337-R339 VanDerWaalsContact C-N 3.28Å; K337-R339 PolarHBondContact O-N 3.01Å; K337-A340 PolarHBondContact O-N 2.85Å; K337-E341 WeakPolarHBondContact O-CG 3.31Å; K337-E341 PolarHBondContact O-N 3.22Å
338	T	91.5	Very high	90.1	Very high	55 Å²	55	68 Å²	68	34%	0.337	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-40.2	-179.8	-54.7	0	0	0	0	111.2	Y328 Q334 Y335 E341 L342	Y328-T338 HydrophobicContact CD1-CG2 4.17Å; Y328-T338 HydrophobicContact CE1-CG2 4.45Å; Q334-T338 VanDerWaalsContact O-CB 3.29Å; Q334-T338 WeakPolarHBondContact O-CB 3.29Å; Q334-T338 PolarHBondContact O-N 3.07Å; Q334-T338 PolarHBondContact O-OG1 3.48Å; Y335-T338 PolarHBondContact O-N 2.97Å; T338-E341 PolarHBondContact O-N 3.09Å; T338-L342 HydrophobicContact CG2-CD1 4.1Å; T338-L342 WeakPolarHBondContact O-CB 3.14Å; T338-L342 VanDerWaalsContact O-CG 3.25Å; T338-L342 WeakPolarHBondContact O-CG 3.24Å; T338-L342 PolarHBondContact O-N 3.34Å
339	R	87.9	Confident	89.8	Confident	46 Å²	46	74.8 Å²	74.8	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-48.3	176.7	179.4	178.7	174.2	-168.5	-8	111.3	H319 Y335 V336 K337 E341 L342 E343 D400	H319-R339 PolarHBondContact CE1-NH1 3.15Å; Y335-R339 HydrophobicContact CE2-CB 4.18Å; Y335-R339 VanDerWaalsContact O-CB 3.24Å; Y335-R339 WeakPolarHBondContact O-CB 3.48Å; Y335-R339 PolarHBondContact O-N 2.91Å; Y335-R339 VanDerWaalsContact OH-CD 3.3Å; Y335-R339 WeakPolarHBondContact OH-CD 3.43Å; Y335-R339 PolarHBondContact OH-NH1 2.93Å; V336-R339 PolarHBondContact O-N 2.79Å; K337-R339 VanDerWaalsContact C-N 3.28Å; K337-R339 PolarHBondContact O-N 3.01Å; R339-E341 VanDerWaalsContact C-N 3.32Å; R339-E341 PolarHBondContact O-N 3.25Å; R339-L342 PolarHBondContact O-N 3.1Å; R339-E343 HydrophobicContact CG-CG 4.35Å; R339-E343 IonicContact CZ-OE1 2.82Å; R339-E343 IonicContact NE-OE1 3.28Å; R339-E343 PolarHBondContact NE-OE1 2.86Å; R339-E343 IonicContact NH2-OE1 3.9Å; R339-E343 PolarHBondContact NH2-OE1 2.82Å; R339-E343 VanDerWaalsContact NH2-OE1 3.14Å; R339-E343 WeakPolarHBondContact O-CB 3.44Å; R339-E343 WeakPolarHBondContact O-CG 3.39Å; R339-E343 PolarHBondContact O-N 3.47Å; R339-D400 IonicContact NH2-OD2 2.88Å
340	A	87.5	Confident	89.6	Confident	52 Å²	52	71.2 Å²	71.2	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-42.8	178.8	0	0	0	0	0	111.8	V336 K337 E343 E344	V336-A340 WeakPolarHBondContact O-CB 3.23Å; V336-A340 PolarHBondContact O-N 2.8Å; K337-A340 PolarHBondContact O-N 2.85Å; A340-E343 PolarHBondContact O-N 2.9Å; A340-E344 WeakPolarHBondContact O-CB 3.28Å; A340-E344 PolarHBondContact O-N 3.5Å
341	E	90.7	Very high	89.5	Confident	117 Å²	117	74.4 Å²	74.4	55%	0.547	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-42.5	175.7	-70.5	173.3	-170.7	0	0	112.3	K337 T338 R339 N345	K337-E341 WeakPolarHBondContact O-CG 3.31Å; K337-E341 PolarHBondContact O-N 3.22Å; T338-E341 PolarHBondContact O-N 3.09Å; R339-E341 VanDerWaalsContact C-N 3.32Å; R339-E341 PolarHBondContact O-N 3.25Å; E341-N345 WeakPolarHBondContact O-CB 3.48Å; E341-N345 PolarHBondContact O-N 3.38Å; E341-N345 PolarHBondContact O-ND2 3.05Å
342	L	88.1	Confident	89.4	Confident	92 Å²	92	79.9 Å²	79.9	48%	0.482	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.5	-73.5	171.3	0	0	0	112	Y328 T338 R339 N345 Q346	Y328-L342 HydrophobicContact CE1-CD1 3.97Å; T338-L342 HydrophobicContact CG2-CD1 4.1Å; T338-L342 WeakPolarHBondContact O-CB 3.14Å; T338-L342 VanDerWaalsContact O-CG 3.25Å; T338-L342 WeakPolarHBondContact O-CG 3.24Å; T338-L342 PolarHBondContact O-N 3.34Å; R339-L342 PolarHBondContact O-N 3.1Å; L342-N345 PolarHBondContact O-N 3.29Å; L342-Q346 WeakPolarHBondContact O-CB 3.43Å; L342-Q346 PolarHBondContact O-N 3.21Å
343	E	86.8	Confident	89.3	Confident	55 Å²	55	80.8 Å²	80.8	26%	0.257	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-42.3	177.2	-75.9	176	176.6	0	0	111.5	R339 A340 Q346 M347 V397	R339-E343 HydrophobicContact CG-CG 4.35Å; R339-E343 IonicContact CZ-OE1 2.82Å; R339-E343 IonicContact NE-OE1 3.28Å; R339-E343 PolarHBondContact NE-OE1 2.86Å; R339-E343 IonicContact NH2-OE1 3.9Å; R339-E343 PolarHBondContact NH2-OE1 2.82Å; R339-E343 VanDerWaalsContact NH2-OE1 3.14Å; R339-E343 WeakPolarHBondContact O-CB 3.44Å; R339-E343 WeakPolarHBondContact O-CG 3.39Å; R339-E343 PolarHBondContact O-N 3.47Å; A340-E343 PolarHBondContact O-N 2.9Å; E343-Q346 PolarHBondContact O-N 3.33Å; E343-M347 WeakPolarHBondContact O-CB 3.04Å; E343-M347 PolarHBondContact O-N 3.09Å; E343-V397 HydrophobicContact CB-CG1 4.11Å; E343-V397 HydrophobicContact CB-CG2 4.38Å; E343-V397 HydrophobicContact CG-CG1 3.99Å
344	E	88.6	Confident	89.1	Confident	108 Å²	108	80.6 Å²	80.6	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-44.9	174.8	-169.6	-171.8	164.8	0	0	111.4	A340 Q346 M347 K348	A340-E344 WeakPolarHBondContact O-CB 3.28Å; A340-E344 PolarHBondContact O-N 3.5Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; E344-Q346 PolarHBondContact O-N 3.21Å; E344-M347 PolarHBondContact O-N 3.18Å; E344-K348 HydrophobicContact CG-CD 4.48Å; E344-K348 WeakPolarHBondContact O-CG 3.42Å; E344-K348 PolarHBondContact O-N 2.81Å; E344-K348 WeakPolarHBondContact OE1-CE 3.28Å; E344-K348 IonicContact OE1-NZ 3.75Å; E344-K348 PolarHBondContact OE1-NZ 3.08Å
345	N	89.8	Confident	89.1	Confident	80 Å²	80	81.1 Å²	81.1	43%	0.428	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-39.6	176.6	-75.1	-33.7	0	0	0	112.1	E341 L342 K348 R349	E341-N345 WeakPolarHBondContact O-CB 3.48Å; E341-N345 PolarHBondContact O-N 3.38Å; E341-N345 PolarHBondContact O-ND2 3.05Å; L342-N345 PolarHBondContact O-N 3.29Å; N345-K348 PolarHBondContact O-N 3.38Å; N345-R349 WeakPolarHBondContact O-CG 3.47Å; N345-R349 PolarHBondContact O-N 3.02Å
346	Q	87	Confident	88.9	Confident	64 Å²	64	84 Å²	84	30%	0.299	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-44.2	174.8	-176.1	177.8	-13.8	0	0	111.3	L342 E343 E344 K348 R349 F350 T394 E395 V397	L342-Q346 WeakPolarHBondContact O-CB 3.43Å; L342-Q346 PolarHBondContact O-N 3.21Å; E343-Q346 PolarHBondContact O-N 3.33Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; E344-Q346 PolarHBondContact O-N 3.21Å; Q346-K348 PolarHBondContact O-N 2.93Å; Q346-R349 PolarHBondContact O-N 2.9Å; Q346-F350 WeakPolarHBondContact O-CB 3.35Å; Q346-F350 PolarHBondContact O-N 2.86Å; Q346-T394 HydrophobicContact CG-CG2 3.6Å; Q346-E395 PolarHBondContact NE2-O 2.82Å; Q346-V397 HydrophobicContact CB-CG2 3.79Å; Q346-V397 HydrophobicContact CG-CG2 3.73Å
347	M	87.8	Confident	88.9	Confident	52 Å²	52	81.5 Å²	81.5	26%	0.256	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-41.5	176.1	-83.1	-63.6	-72.6	0	0	112.6	E343 E344 F350 N351 R396 V397	E343-M347 WeakPolarHBondContact O-CB 3.04Å; E343-M347 PolarHBondContact O-N 3.09Å; E344-M347 PolarHBondContact O-N 3.18Å; M347-F350 PolarHBondContact O-N 3.02Å; M347-N351 WeakPolarHBondContact O-CB 3.34Å; M347-N351 VanDerWaalsContact O-CG 3.27Å; M347-N351 PolarHBondContact O-N 2.83Å; M347-N351 PolarHBondContact O-ND2 3.19Å; M347-R396 HydrophobicContact SD-CG 4.07Å; M347-V397 HydrophobicContact CG-CB 3.63Å; M347-V397 HydrophobicContact CG-CG2 3.66Å; M347-V397 HydrophobicContact SD-CB 3.76Å; M347-V397 HydrophobicContact SD-CG2 4.15Å
348	K	90.4	Very high	88.8	Confident	114 Å²	114	77 Å²	77	50%	0.496	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-44.8	174.8	-74.4	173.1	-176.4	165.8	0	111.6	E344 N345 Q346 N351 W352	E344-K348 HydrophobicContact CG-CD 4.48Å; E344-K348 WeakPolarHBondContact O-CG 3.42Å; E344-K348 PolarHBondContact O-N 2.81Å; E344-K348 WeakPolarHBondContact OE1-CE 3.28Å; E344-K348 IonicContact OE1-NZ 3.75Å; E344-K348 PolarHBondContact OE1-NZ 3.08Å; N345-K348 PolarHBondContact O-N 3.38Å; Q346-K348 PolarHBondContact O-N 2.93Å; K348-N351 PolarHBondContact O-N 3.46Å; K348-W352 WeakPolarHBondContact O-CB 3.49Å; K348-W352 PolarHBondContact O-N 2.91Å
349	R	87.3	Confident	88.8	Confident	169 Å²	169	79.6 Å²	79.6	64%	0.638	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-45.7	175.7	-74	178.6	-175.5	-165.8	2.7	111.9	N345 Q346 N351 W352 E353 T394	N345-R349 WeakPolarHBondContact O-CG 3.47Å; N345-R349 PolarHBondContact O-N 3.02Å; Q346-R349 PolarHBondContact O-N 2.9Å; R349-N351 PolarHBondContact O-N 2.91Å; R349-W352 PolarHBondContact O-N 3.38Å; R349-E353 WeakPolarHBondContact O-CG 3.43Å; R349-E353 PolarHBondContact O-N 3.31Å; R349-T394 HydrophobicContact CB-CG2 4.45Å
350	F	89.3	Confident	88.7	Confident	35 Å²	35	78.5 Å²	78.5	15%	0.154	38%	0.379	C	S	.	.	H	α-helix	trans	-56.7	-51.5	175.9	174	-103.1	0	0	0	111.5	Q346 M347 W352 E353 Q354 T394 R396	Q346-F350 WeakPolarHBondContact O-CB 3.35Å; Q346-F350 PolarHBondContact O-N 2.86Å; M347-F350 PolarHBondContact O-N 3.02Å; F350-W352 VanDerWaalsContact C-N 3.33Å; F350-W352 PolarHBondContact O-N 2.98Å; F350-E353 PolarHBondContact O-N 2.98Å; F350-Q354 HydrophobicContact CD1-CG 4.24Å; F350-Q354 HydrophobicContact CD2-CG 4.16Å; F350-Q354 HydrophobicContact CE1-CG 3.78Å; F350-Q354 HydrophobicContact CE2-CG 3.72Å; F350-Q354 HydrophobicContact CG-CG 4.42Å; F350-Q354 HydrophobicContact CZ-CG 3.5Å; F350-Q354 WeakPolarHBondContact O-CG 3.4Å; F350-Q354 PolarHBondContact O-N 2.98Å; F350-T394 HydrophobicContact CB-CG2 4.31Å; F350-T394 WeakPolarHBondContact CD2-O 3.48Å; F350-R396 HydrophobicContact CD1-CB 4.19Å; F350-R396 HydrophobicContact CD1-CG 4.18Å; F350-R396 HydrophobicContact CD2-CB 4.24Å; F350-R396 HydrophobicContact CE1-CB 3.91Å; F350-R396 HydrophobicContact CE1-CG 3.91Å; F350-R396 HydrophobicContact CE2-CB 3.94Å; F350-R396 HydrophobicContact CG-CB 4.35Å; F350-R396 HydrophobicContact CZ-CB 3.76Å; F350-R396 HydrophobicContact CZ-CG 4.23Å
351	N	90.2	Very high	88.7	Confident	78 Å²	78	81.8 Å²	81.8	42%	0.417	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-43.4	179.1	-71.3	-20	0	0	0	111.4	M347 K348 R349 E353 Q354 D355	M347-N351 WeakPolarHBondContact O-CB 3.34Å; M347-N351 VanDerWaalsContact O-CG 3.27Å; M347-N351 PolarHBondContact O-N 2.83Å; M347-N351 PolarHBondContact O-ND2 3.19Å; K348-N351 PolarHBondContact O-N 3.46Å; R349-N351 PolarHBondContact O-N 2.91Å; N351-E353 PolarHBondContact O-N 2.86Å; N351-Q354 PolarHBondContact O-N 2.83Å; N351-D355 WeakPolarHBondContact O-CB 3.21Å; N351-D355 PolarHBondContact O-N 3.46Å
352	W	89.6	Confident	88.6	Confident	156 Å²	156	80.8 Å²	80.8	59%	0.591	38%	0.382	S	S	*	.	H	α-helix	trans	-60.4	-45.1	176	179.9	85.3	0	0	0	112.2	K348 R349 F350 D355 Q356	K348-W352 WeakPolarHBondContact O-CB 3.49Å; K348-W352 PolarHBondContact O-N 2.91Å; R349-W352 PolarHBondContact O-N 3.38Å; F350-W352 VanDerWaalsContact C-N 3.33Å; F350-W352 PolarHBondContact O-N 2.98Å; W352-D355 PolarHBondContact O-N 3.1Å; W352-Q356 HydrophobicContact CD2-CG 4.21Å; W352-Q356 HydrophobicContact CE3-CG 4.47Å; W352-Q356 HydrophobicContact CH2-CG 4.27Å; W352-Q356 HydrophobicContact CZ2-CG 3.99Å; W352-Q356 HydrophobicContact CZ3-CG 4.5Å; W352-Q356 WeakPolarHBondContact O-CG 3.3Å; W352-Q356 PolarHBondContact O-N 2.99Å
353	E	87.4	Confident	88.4	Confident	41 Å²	41	78.4 Å²	78.4	19%	0.192	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-43.1	175.6	-73.6	174.8	-167.7	0	0	111.8	R349 F350 N351 Q356 I357 T394	R349-E353 WeakPolarHBondContact O-CG 3.43Å; R349-E353 PolarHBondContact O-N 3.31Å; F350-E353 PolarHBondContact O-N 2.98Å; N351-E353 PolarHBondContact O-N 2.86Å; E353-Q356 PolarHBondContact O-N 3.2Å; E353-I357 WeakPolarHBondContact O-CB 3.4Å; E353-I357 WeakPolarHBondContact O-CD1 3.37Å; E353-I357 WeakPolarHBondContact O-CG1 3.48Å; E353-I357 PolarHBondContact O-N 2.98Å; E353-T394 VanDerWaalsContact CD-OG1 3.31Å; E353-T394 PolarHBondContact OE1-OG1 3.13Å; E353-T394 VanDerWaalsContact OE2-CB 3.31Å; E353-T394 WeakPolarHBondContact OE2-CB 3.48Å; E353-T394 PolarHBondContact OE2-N 2.83Å; E353-T394 PolarHBondContact OE2-OG1 2.81Å
354	Q	88	Confident	88.4	Confident	68 Å²	68	77.5 Å²	77.5	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-41.3	177.3	-69	-52.3	-55.8	0	0	112	F350 N351 I357 A358	F350-Q354 HydrophobicContact CD1-CG 4.24Å; F350-Q354 HydrophobicContact CD2-CG 4.16Å; F350-Q354 HydrophobicContact CE1-CG 3.78Å; F350-Q354 HydrophobicContact CE2-CG 3.72Å; F350-Q354 HydrophobicContact CG-CG 4.42Å; F350-Q354 HydrophobicContact CZ-CG 3.5Å; F350-Q354 WeakPolarHBondContact O-CG 3.4Å; F350-Q354 PolarHBondContact O-N 2.98Å; N351-Q354 PolarHBondContact O-N 2.83Å; Q354-I357 PolarHBondContact O-N 3.09Å; Q354-A358 WeakPolarHBondContact O-CB 3.33Å; Q354-A358 PolarHBondContact O-N 3.37Å
355	D	90.6	Very high	88.2	Confident	113 Å²	113	76 Å²	76	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-41.5	176	-74.8	-19	0	0	0	111.4	N351 W352 A358 H359	N351-D355 WeakPolarHBondContact O-CB 3.21Å; N351-D355 PolarHBondContact O-N 3.46Å; W352-D355 PolarHBondContact O-N 3.1Å; D355-A358 PolarHBondContact O-N 2.99Å; D355-H359 VanDerWaalsContact O-CB 3.3Å; D355-H359 WeakPolarHBondContact O-CB 3.49Å; D355-H359 PolarHBondContact O-N 3.29Å
356	Q	88.1	Confident	87.9	Confident	66 Å²	66	81.6 Å²	81.6	31%	0.308	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-44.6	173.7	-71.9	-55.2	-51.7	0	0	111.8	W352 E353 H359 M360	W352-Q356 HydrophobicContact CD2-CG 4.21Å; W352-Q356 HydrophobicContact CE3-CG 4.47Å; W352-Q356 HydrophobicContact CH2-CG 4.27Å; W352-Q356 HydrophobicContact CZ2-CG 3.99Å; W352-Q356 HydrophobicContact CZ3-CG 4.5Å; W352-Q356 WeakPolarHBondContact O-CG 3.3Å; W352-Q356 PolarHBondContact O-N 2.99Å; E353-Q356 PolarHBondContact O-N 3.2Å; Q356-H359 PolarHBondContact O-N 3.39Å; Q356-M360 WeakPolarHBondContact O-CB 3.47Å; Q356-M360 WeakPolarHBondContact O-CG 3.29Å; Q356-M360 PolarHBondContact O-N 3.22Å
357	I	88.8	Confident	87.6	Confident	12 Å²	12	82 Å²	82	6%	0.062	39%	0.386	C	S	.	.	H	α-helix	trans	-61.3	-45.9	176.3	-70.6	163.6	0	0	0	110.3	E353 Q354 M360 K361 L385 L393	E353-I357 WeakPolarHBondContact O-CB 3.4Å; E353-I357 WeakPolarHBondContact O-CD1 3.37Å; E353-I357 WeakPolarHBondContact O-CG1 3.48Å; E353-I357 PolarHBondContact O-N 2.98Å; Q354-I357 PolarHBondContact O-N 3.09Å; I357-M360 PolarHBondContact O-N 3.44Å; I357-K361 HydrophobicContact CG2-CD 3.92Å; I357-K361 HydrophobicContact CG2-CG 4.37Å; I357-K361 WeakPolarHBondContact O-CB 3.4Å; I357-K361 VanDerWaalsContact O-CG 3.29Å; I357-K361 WeakPolarHBondContact O-CG 3.32Å; I357-K361 PolarHBondContact O-N 3.23Å; I357-L385 HydrophobicContact CB-CD1 4.22Å; I357-L385 HydrophobicContact CG1-CD1 3.8Å; I357-L385 HydrophobicContact CG2-CD1 4.05Å; I357-L393 HydrophobicContact CD1-CD1 3.6Å; I357-L393 HydrophobicContact CD1-CD2 3.74Å; I357-L393 HydrophobicContact CD1-CG 4.34Å
358	A	90.1	Very high	86.8	Confident	44 Å²	44	80.9 Å²	80.9	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-44.9	178.4	0	0	0	0	0	111.2	Q354 D355 K361 N362	Q354-A358 WeakPolarHBondContact O-CB 3.33Å; Q354-A358 PolarHBondContact O-N 3.37Å; D355-A358 PolarHBondContact O-N 2.99Å; A358-K361 PolarHBondContact O-N 3.09Å; A358-N362 WeakPolarHBondContact O-CB 3.4Å; A358-N362 VanDerWaalsContact O-CG 3.29Å; A358-N362 PolarHBondContact O-N 2.99Å; A358-N362 PolarHBondContact O-ND2 3.02Å
359	H	90.4	Very high	86.1	Confident	110 Å²	110	84.6 Å²	84.6	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-44	177.2	-176.9	-100	0	0	0	112.1	D355 Q356 N362 Y363	D355-H359 VanDerWaalsContact O-CB 3.3Å; D355-H359 WeakPolarHBondContact O-CB 3.49Å; D355-H359 PolarHBondContact O-N 3.29Å; Q356-H359 PolarHBondContact O-N 3.39Å; H359-N362 PolarHBondContact O-N 3.41Å; H359-Y363 WeakPolarHBondContact O-CB 3.41Å; H359-Y363 PolarHBondContact O-N 3.42Å
360	M	85.6	Confident	85.3	Confident	22 Å²	22	78.3 Å²	78.3	11%	0.108	39%	0.394	C	S	.	.	H	α-helix	trans	-63.3	-45.5	175.5	-75.3	-172.7	168.4	0	0	111.9	Q356 I357 N362 Y363 I364 T384 L385 M388	Q356-M360 WeakPolarHBondContact O-CB 3.47Å; Q356-M360 WeakPolarHBondContact O-CG 3.29Å; Q356-M360 PolarHBondContact O-N 3.22Å; I357-M360 PolarHBondContact O-N 3.44Å; M360-N362 PolarHBondContact O-N 2.97Å; M360-Y363 PolarHBondContact O-N 3.41Å; M360-I364 WeakPolarHBondContact O-CD1 3.33Å; M360-I364 VanDerWaalsContact O-CG1 3.25Å; M360-I364 WeakPolarHBondContact O-CG1 3.2Å; M360-I364 PolarHBondContact O-N 2.77Å; M360-T384 HydrophobicContact CE-CG2 3.9Å; M360-L385 HydrophobicContact SD-CB 4.24Å; M360-L385 HydrophobicContact SD-CD1 4.46Å; M360-M388 HydrophobicContact CE-CE 4.27Å; M360-M388 HydrophobicContact CE-SD 4.49Å; M360-M388 HydrophobicContact SD-SD 4.39Å
361	K	88.4	Confident	84.6	Confident	122 Å²	122	80 Å²	80	53%	0.53	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-45.1	176.1	-77.6	178.6	177.6	177.6	0	111.7	I357 A358 Y363 I364 A365 L385	I357-K361 HydrophobicContact CG2-CD 3.92Å; I357-K361 HydrophobicContact CG2-CG 4.37Å; I357-K361 WeakPolarHBondContact O-CB 3.4Å; I357-K361 VanDerWaalsContact O-CG 3.29Å; I357-K361 WeakPolarHBondContact O-CG 3.32Å; I357-K361 PolarHBondContact O-N 3.23Å; A358-K361 PolarHBondContact O-N 3.09Å; K361-Y363 VanDerWaalsContact C-N 3.32Å; K361-Y363 PolarHBondContact O-N 2.94Å; K361-I364 PolarHBondContact O-N 3.36Å; K361-A365 WeakPolarHBondContact O-CB 2.84Å; K361-A365 PolarHBondContact O-N 2.88Å; K361-L385 HydrophobicContact CG-CD2 4.09Å
362	N	88.7	Confident	84	Confident	95 Å²	95	80.5 Å²	80.5	51%	0.508	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-39.5	176.2	-78.3	-27.1	0	0	0	112	A358 H359 M360 R366	A358-N362 WeakPolarHBondContact O-CB 3.4Å; A358-N362 VanDerWaalsContact O-CG 3.29Å; A358-N362 PolarHBondContact O-N 2.99Å; A358-N362 PolarHBondContact O-ND2 3.02Å; H359-N362 PolarHBondContact O-N 3.41Å; M360-N362 PolarHBondContact O-N 2.97Å; N362-R366 WeakPolarHBondContact O-CB 3.11Å; N362-R366 WeakPolarHBondContact O-CG 3.28Å; N362-R366 PolarHBondContact O-N 3.04Å
363	Y	83.9	Confident	83.6	Confident	42 Å²	42	81 Å²	81	17%	0.165	43%	0.432	C	S	.	.	H	α-helix	trans	-66	-45	176.1	-167.8	-84.9	0	0	0	111.9	H359 M360 K361 R366 F367 Q377 K381	H359-Y363 WeakPolarHBondContact O-CB 3.41Å; H359-Y363 PolarHBondContact O-N 3.42Å; M360-Y363 PolarHBondContact O-N 3.41Å; K361-Y363 VanDerWaalsContact C-N 3.32Å; K361-Y363 PolarHBondContact O-N 2.94Å; Y363-R366 PolarHBondContact O-N 3.47Å; Y363-F367 HydrophobicContact CD1-CD2 4.16Å; Y363-F367 AromaticContact CD2-CD2 3.75Å; Y363-F367 HydrophobicContact CD2-CD2 3.75Å; Y363-F367 AromaticContact CD2-CE2 3.94Å; Y363-F367 HydrophobicContact CD2-CE2 3.94Å; Y363-F367 HydrophobicContact CE1-CB 4.3Å; Y363-F367 HydrophobicContact CE1-CD2 4.11Å; Y363-F367 AromaticContact CE2-CD2 3.69Å; Y363-F367 HydrophobicContact CE2-CD2 3.69Å; Y363-F367 AromaticContact CE2-CE2 3.84Å; Y363-F367 HydrophobicContact CE2-CE2 3.84Å; Y363-F367 AromaticContact CG-CD2 3.99Å; Y363-F367 HydrophobicContact CG-CD2 3.99Å; Y363-F367 AromaticContact CZ-CD2 3.87Å; Y363-F367 WeakPolarHBondContact O-CB 3.45Å; Y363-F367 WeakPolarHBondContact O-CD2 3.45Å; Y363-F367 PolarHBondContact O-N 3.42Å; Y363-Q377 PolarHBondContact OH-OE1 2.82Å; Y363-K381 HydrophobicContact CD1-CD 3.74Å; Y363-K381 HydrophobicContact CE1-CD 4.11Å; Y363-K381 HydrophobicContact CG-CD 4.15Å
364	I	85.4	Confident	83.3	Confident	36 Å²	36	81.8 Å²	81.8	19%	0.185	44%	0.437	C	S	.	.	H	α-helix	trans	-61.9	-44.3	176.7	-66.4	162.1	0	0	0	110.2	M360 K361 R366 G368 E382 L385	M360-I364 WeakPolarHBondContact O-CD1 3.33Å; M360-I364 VanDerWaalsContact O-CG1 3.25Å; M360-I364 WeakPolarHBondContact O-CG1 3.2Å; M360-I364 PolarHBondContact O-N 2.77Å; K361-I364 PolarHBondContact O-N 3.36Å; I364-R366 PolarHBondContact O-N 2.93Å; I364-G368 VanDerWaalsContact O-CA 3.25Å; I364-G368 WeakPolarHBondContact O-CA 3.46Å; I364-G368 PolarHBondContact O-N 3.05Å; I364-E382 HydrophobicContact CD1-CB 3.88Å; I364-E382 HydrophobicContact CD1-CG 4.42Å; I364-E382 HydrophobicContact CG1-CB 4.49Å; I364-L385 HydrophobicContact CD1-CD2 4.3Å
365	A	84.9	Confident	82.9	Confident	77 Å²	77	79.6 Å²	79.6	64%	0.636	43%	0.43	S	S	*	.	H	α-helix	trans	-63.8	-40.7	178.5	0	0	0	0	0	112.8	K361	K361-A365 WeakPolarHBondContact O-CB 2.84Å; K361-A365 PolarHBondContact O-N 2.88Å
366	R	83.4	Confident	82.5	Confident	198 Å²	198	83.7 Å²	83.7	75%	0.747	44%	0.437	S	S	*	.	H	α-helix	trans	-75.2	-36.4	-179.5	-74.8	-179.3	-179.2	-176.6	1.1	113.8	N362 Y363 I364	N362-R366 WeakPolarHBondContact O-CB 3.11Å; N362-R366 WeakPolarHBondContact O-CG 3.28Å; N362-R366 PolarHBondContact O-N 3.04Å; Y363-R366 PolarHBondContact O-N 3.47Å; I364-R366 PolarHBondContact O-N 2.93Å
367	F	81.6	Confident	82.2	Confident	71 Å²	71	85.1 Å²	85.1	31%	0.311	44%	0.444	S	S	.	.	H	α-helix	trans	-117.4	-0.2	-168.4	-61.7	-71.2	0	0	0	114.5	Y363 H369 G370 L374	Y363-F367 HydrophobicContact CD1-CD2 4.16Å; Y363-F367 AromaticContact CD2-CD2 3.75Å; Y363-F367 HydrophobicContact CD2-CD2 3.75Å; Y363-F367 AromaticContact CD2-CE2 3.94Å; Y363-F367 HydrophobicContact CD2-CE2 3.94Å; Y363-F367 HydrophobicContact CE1-CB 4.3Å; Y363-F367 HydrophobicContact CE1-CD2 4.11Å; Y363-F367 AromaticContact CE2-CD2 3.69Å; Y363-F367 HydrophobicContact CE2-CD2 3.69Å; Y363-F367 AromaticContact CE2-CE2 3.84Å; Y363-F367 HydrophobicContact CE2-CE2 3.84Å; Y363-F367 AromaticContact CG-CD2 3.99Å; Y363-F367 HydrophobicContact CG-CD2 3.99Å; Y363-F367 AromaticContact CZ-CD2 3.87Å; Y363-F367 WeakPolarHBondContact O-CB 3.45Å; Y363-F367 WeakPolarHBondContact O-CD2 3.45Å; Y363-F367 PolarHBondContact O-N 3.42Å; F367-H369 VanDerWaalsContact C-N 3.27Å; F367-H369 PolarHBondContact O-N 3.15Å; F367-G370 PolarHBondContact O-N 2.95Å; F367-G370 VanDerWaalsContact O-N 3.16Å; F367-L374 HydrophobicContact CB-CB 4.39Å; F367-L374 HydrophobicContact CD1-CD1 4.12Å; F367-L374 HydrophobicContact CD1-CD2 4.14Å
368	G	70.9	Confident	81.8	Confident	29 Å²	29	84.7 Å²	84.7	30%	0.299	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.1	-179.9	0	0	0	0	0	114.3	I364	I364-G368 VanDerWaalsContact O-CA 3.25Å; I364-G368 WeakPolarHBondContact O-CA 3.46Å; I364-G368 PolarHBondContact O-N 3.05Å
369	H	75.1	Confident	81.5	Confident	193 Å²	193	88.4 Å²	88.4	89%	0.894	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	12.6	174.9	-57.2	-61.1	0	0	0	113.2	F367	F367-H369 VanDerWaalsContact C-N 3.27Å; F367-H369 PolarHBondContact O-N 3.15Å
370	G	70.6	Confident	81.2	Confident	36 Å²	36	86.7 Å²	86.7	37%	0.371	45%	0.452	S	S	.	.	S	Bend	trans	-77.4	-166.7	179.7	0	0	0	0	0	113.4	F367	F367-G370 PolarHBondContact O-N 2.95Å; F367-G370 VanDerWaalsContact O-N 3.16Å
371	S	75.1	Confident	81.2	Confident	70 Å²	70	88.5 Å²	88.5	49%	0.49	46%	0.46	S	S	.	.			trans	-54.3	153.7	178.3	78.5	0	0	0	0	112.6	K373 L374 A375	S371-K373 PolarHBondContact O-N 3.21Å; S371-L374 WeakPolarHBondContact O-CA 3.26Å; S371-L374 PolarHBondContact O-N 3.43Å; S371-A375 PolarHBondContact O-N 2.8Å
372	A	77.3	Confident	81.1	Confident	89 Å²	89	86.8 Å²	86.8	74%	0.736	45%	0.453	S	S	*	.	H	α-helix	trans	-51.3	-32.6	-175.1	0	0	0	0	0	114.2	R376	A372-R376 WeakPolarHBondContact O-CB 3.13Å; A372-R376 PolarHBondContact O-N 2.77Å
373	K	81.3	Confident	81	Confident	168 Å²	168	89.1 Å²	89.1	73%	0.73	46%	0.459	S	S	*	.	H	α-helix	trans	-71.2	-41.7	175.7	-173.2	176.2	177.3	-179.6	0	112.5	S371 Q377	S371-K373 PolarHBondContact O-N 3.21Å; K373-Q377 PolarHBondContact O-N 3.1Å
374	L	81.4	Confident	81.1	Confident	56 Å²	56	89.9 Å²	89.9	29%	0.293	47%	0.468	S	S	.	.	H	α-helix	trans	-72.8	-40.5	179.2	-73.5	164.8	0	0	0	111.6	F367 S371 R376 Q377 A378	F367-L374 HydrophobicContact CB-CB 4.39Å; F367-L374 HydrophobicContact CD1-CD1 4.12Å; F367-L374 HydrophobicContact CD1-CD2 4.14Å; S371-L374 WeakPolarHBondContact O-CA 3.26Å; S371-L374 PolarHBondContact O-N 3.43Å; L374-R376 VanDerWaalsContact C-N 3.33Å; L374-R376 PolarHBondContact O-N 3.36Å; L374-Q377 PolarHBondContact O-N 2.88Å; L374-A378 PolarHBondContact O-N 3Å
375	A	79.3	Confident	81.1	Confident	22 Å²	22	89.2 Å²	89.2	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-61	-41.2	175.1	0	0	0	0	0	111.8	S371 Q377 A378 Q379	S371-A375 PolarHBondContact O-N 2.8Å; A375-Q377 PolarHBondContact O-N 3.07Å; A375-A378 PolarHBondContact O-N 3.25Å; A375-Q379 WeakPolarHBondContact O-CG 3.24Å; A375-Q379 PolarHBondContact O-N 2.83Å
376	R	81.7	Confident	81.1	Confident	200 Å²	200	91.1 Å²	91.1	76%	0.755	46%	0.461	S	S	*	.	H	α-helix	trans	-66.2	-35.1	176.5	-157.5	173.3	-176.5	170.3	0.6	112.6	A372 L374 S380	A372-R376 WeakPolarHBondContact O-CB 3.13Å; A372-R376 PolarHBondContact O-N 2.77Å; L374-R376 VanDerWaalsContact C-N 3.33Å; L374-R376 PolarHBondContact O-N 3.36Å; R376-S380 PolarHBondContact O-N 3.37Å
377	Q	82.6	Confident	81.3	Confident	96 Å²	96	89.3 Å²	89.3	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-69	-39.2	171.9	-85.8	-174.6	-7.2	0	0	112.6	Y363 K373 L374 A375 S380 K381	Y363-Q377 PolarHBondContact OH-OE1 2.82Å; K373-Q377 PolarHBondContact O-N 3.1Å; L374-Q377 PolarHBondContact O-N 2.88Å; A375-Q377 PolarHBondContact O-N 3.07Å; Q377-S380 PolarHBondContact O-N 2.94Å; Q377-K381 PolarHBondContact O-N 3.2Å; Q377-K381 VanDerWaalsContact O-N 3.09Å
378	A	80.9	Confident	81.2	Confident	3 Å²	3	88.9 Å²	88.9	3%	0.025	46%	0.458	C	S	.	.	H	α-helix	trans	-62.3	-45.7	175.6	0	0	0	0	0	111.4	L374 A375 S380 K381 E382	L374-A378 PolarHBondContact O-N 3Å; A375-A378 PolarHBondContact O-N 3.25Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 3.31Å; A378-K381 PolarHBondContact O-N 3.48Å; A378-K381 VanDerWaalsContact O-N 3.16Å; A378-E382 WeakPolarHBondContact O-CB 3.35Å; A378-E382 PolarHBondContact O-N 3.05Å
379	Q	82.8	Confident	81.8	Confident	121 Å²	121	91.7 Å²	91.7	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-60.2	-35.7	174.4	-74.4	179.5	-10.9	0	0	113.2	A375 E382 K383	A375-Q379 WeakPolarHBondContact O-CG 3.24Å; A375-Q379 PolarHBondContact O-N 2.83Å; Q379-E382 PolarHBondContact O-N 3.06Å; Q379-K383 PolarHBondContact O-N 2.98Å; Q379-K383 VanDerWaalsContact O-N 3.13Å
380	S	85.2	Confident	82	Confident	74 Å²	74	86.7 Å²	86.7	52%	0.517	46%	0.461	S	S	.	.	H	α-helix	trans	-66.1	-43.7	175	-171.6	0	0	0	0	111.8	R376 Q377 A378 E382 K383 T384	R376-S380 PolarHBondContact O-N 3.37Å; Q377-S380 PolarHBondContact O-N 2.94Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 3.31Å; S380-E382 VanDerWaalsContact C-N 3.3Å; S380-K383 PolarHBondContact O-N 3.05Å; S380-T384 PolarHBondContact O-N 2.98Å; S380-T384 VanDerWaalsContact O-N 3.16Å; S380-T384 PolarHBondContact O-OG1 2.83Å
381	K	84.8	Confident	82.3	Confident	61 Å²	61	89.5 Å²	89.5	27%	0.265	48%	0.475	S	S	.	.	H	α-helix	trans	-67.8	-32.4	177.1	-70.7	-171.6	-178.5	178.8	0	112	Y363 Q377 A378 T384 L385	Y363-K381 HydrophobicContact CD1-CD 3.74Å; Y363-K381 HydrophobicContact CE1-CD 4.11Å; Y363-K381 HydrophobicContact CG-CD 4.15Å; Q377-K381 PolarHBondContact O-N 3.2Å; Q377-K381 VanDerWaalsContact O-N 3.09Å; A378-K381 PolarHBondContact O-N 3.48Å; A378-K381 VanDerWaalsContact O-N 3.16Å; K381-T384 PolarHBondContact O-N 3.18Å; K381-L385 WeakPolarHBondContact O-CB 3.32Å; K381-L385 PolarHBondContact O-N 2.91Å
382	E	85.4	Confident	82.5	Confident	85 Å²	85	88.6 Å²	88.6	40%	0.397	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-44.4	173	-174.3	176.5	-165.4	0	0	111.8	I364 A378 Q379 S380 T384 L385 Q386	I364-E382 HydrophobicContact CD1-CB 3.88Å; I364-E382 HydrophobicContact CD1-CG 4.42Å; I364-E382 HydrophobicContact CG1-CB 4.49Å; A378-E382 WeakPolarHBondContact O-CB 3.35Å; A378-E382 PolarHBondContact O-N 3.05Å; Q379-E382 PolarHBondContact O-N 3.06Å; S380-E382 VanDerWaalsContact C-N 3.3Å; E382-T384 VanDerWaalsContact C-N 3.32Å; E382-T384 PolarHBondContact O-N 3.07Å; E382-L385 WeakPolarHBondContact O-CB 3.43Å; E382-L385 PolarHBondContact O-N 3.35Å; E382-Q386 WeakPolarHBondContact O-CG 3.28Å; E382-Q386 PolarHBondContact O-N 3.01Å
383	K	87.4	Confident	82.6	Confident	145 Å²	145	87.4 Å²	87.4	63%	0.63	46%	0.457	S	S	*	.	H	α-helix	trans	-62.6	-38	173.1	-74	-175.5	-179.6	-176.7	0	112.6	Q379 S380 Q386 K387	Q379-K383 PolarHBondContact O-N 2.98Å; Q379-K383 VanDerWaalsContact O-N 3.13Å; S380-K383 PolarHBondContact O-N 3.05Å; K383-Q386 PolarHBondContact O-N 3.29Å; K383-K387 WeakPolarHBondContact O-CG 3.17Å; K383-K387 PolarHBondContact O-N 3.45Å
384	T	86.4	Confident	82.6	Confident	58 Å²	58	81 Å²	81	36%	0.356	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-42.8	175.1	-56.6	0	0	0	0	111.4	M360 S380 K381 E382 Q386 K387 M388	M360-T384 HydrophobicContact CE-CG2 3.9Å; S380-T384 PolarHBondContact O-N 2.98Å; S380-T384 VanDerWaalsContact O-N 3.16Å; S380-T384 PolarHBondContact O-OG1 2.83Å; K381-T384 PolarHBondContact O-N 3.18Å; E382-T384 VanDerWaalsContact C-N 3.32Å; E382-T384 PolarHBondContact O-N 3.07Å; T384-Q386 PolarHBondContact O-N 2.91Å; T384-K387 PolarHBondContact O-N 3.35Å; T384-M388 HydrophobicContact CG2-CE 4.05Å; T384-M388 WeakPolarHBondContact O-CG 3.46Å; T384-M388 PolarHBondContact O-N 2.76Å
385	L	84.9	Confident	82.4	Confident	22 Å²	22	84.4 Å²	84.4	12%	0.115	45%	0.447	C	S	.	.	H	α-helix	trans	-60.8	-44.2	175.4	-178.5	66.5	0	0	0	111.3	I357 M360 K361 I364 K381 E382 K387 M388 V389	I357-L385 HydrophobicContact CB-CD1 4.22Å; I357-L385 HydrophobicContact CG1-CD1 3.8Å; I357-L385 HydrophobicContact CG2-CD1 4.05Å; M360-L385 HydrophobicContact SD-CB 4.24Å; M360-L385 HydrophobicContact SD-CD1 4.46Å; K361-L385 HydrophobicContact CG-CD2 4.09Å; I364-L385 HydrophobicContact CD1-CD2 4.3Å; K381-L385 WeakPolarHBondContact O-CB 3.32Å; K381-L385 PolarHBondContact O-N 2.91Å; E382-L385 WeakPolarHBondContact O-CB 3.43Å; E382-L385 PolarHBondContact O-N 3.35Å; L385-K387 VanDerWaalsContact C-N 3.32Å; L385-K387 PolarHBondContact O-N 3.12Å; L385-M388 PolarHBondContact O-N 3.47Å; L385-V389 WeakPolarHBondContact O-CG2 3.42Å; L385-V389 PolarHBondContact O-N 3.33Å
386	Q	85.5	Confident	82.4	Confident	117 Å²	117	91.1 Å²	91.1	55%	0.547	47%	0.468	S	S	.	.	H	α-helix	trans	-60.7	-40.4	175.5	-73.8	175	-2.3	0	0	112.1	E382 K383 T384 V389 A390	E382-Q386 WeakPolarHBondContact O-CG 3.28Å; E382-Q386 PolarHBondContact O-N 3.01Å; K383-Q386 PolarHBondContact O-N 3.29Å; T384-Q386 PolarHBondContact O-N 2.91Å; Q386-V389 PolarHBondContact O-N 3.4Å; Q386-A390 VanDerWaalsContact O-CB 3.31Å; Q386-A390 WeakPolarHBondContact O-CB 3.37Å; Q386-A390 PolarHBondContact O-N 3.46Å
387	K	87.1	Confident	82.1	Confident	159 Å²	159	82.3 Å²	82.3	69%	0.691	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-42.6	174.3	-75.6	-176.3	179.5	-173	0	112.5	K383 T384 L385 V389 A390 S391	K383-K387 WeakPolarHBondContact O-CG 3.17Å; K383-K387 PolarHBondContact O-N 3.45Å; T384-K387 PolarHBondContact O-N 3.35Å; L385-K387 VanDerWaalsContact C-N 3.32Å; L385-K387 PolarHBondContact O-N 3.12Å; K387-V389 VanDerWaalsContact C-N 3.32Å; K387-V389 PolarHBondContact O-N 3.22Å; K387-A390 PolarHBondContact O-N 3.36Å; K387-S391 PolarHBondContact O-N 2.81Å; K387-S391 PolarHBondContact O-OG 3.37Å
388	M	80.8	Confident	81.4	Confident	63 Å²	63	83.4 Å²	83.4	31%	0.31	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-38.2	176.6	-74.1	177.3	173.7	0	0	112.2	M360 T384 L385 S391	M360-M388 HydrophobicContact CE-CE 4.27Å; M360-M388 HydrophobicContact CE-SD 4.49Å; M360-M388 HydrophobicContact SD-SD 4.39Å; T384-M388 HydrophobicContact CG2-CE 4.05Å; T384-M388 WeakPolarHBondContact O-CG 3.46Å; T384-M388 PolarHBondContact O-N 2.76Å; L385-M388 PolarHBondContact O-N 3.47Å; M388-S391 WeakPolarHBondContact CA-OG 3.44Å; M388-S391 PolarHBondContact O-OG 3.01Å
389	V	82.5	Confident	80.4	Confident	87 Å²	87	89 Å²	89	53%	0.527	48%	0.479	S	S	.	.	H	α-helix	trans	-69.4	-39.6	174.6	174.7	0	0	0	0	110.9	L385 Q386 K387 S391 G392	L385-V389 WeakPolarHBondContact O-CG2 3.42Å; L385-V389 PolarHBondContact O-N 3.33Å; Q386-V389 PolarHBondContact O-N 3.4Å; K387-V389 VanDerWaalsContact C-N 3.32Å; K387-V389 PolarHBondContact O-N 3.22Å; V389-S391 PolarHBondContact O-N 3.36Å; V389-G392 PolarHBondContact O-N 3.34Å
390	A	78.4	Confident	79.3	Confident	88 Å²	88	85.9 Å²	85.9	73%	0.727	47%	0.466	S	S	*	.	H	α-helix	trans	-69.4	-28.7	179	0	0	0	0	0	113.7	Q386 K387 G392	Q386-A390 VanDerWaalsContact O-CB 3.31Å; Q386-A390 WeakPolarHBondContact O-CB 3.37Å; Q386-A390 PolarHBondContact O-N 3.46Å; K387-A390 PolarHBondContact O-N 3.36Å; A390-G392 PolarHBondContact O-N 3.02Å
391	S	77.5	Confident	78.1	Confident	96 Å²	96	91.6 Å²	91.6	67%	0.671	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-6	175.1	54.2	0	0	0	0	114	K387 M388 V389	K387-S391 PolarHBondContact O-N 2.81Å; K387-S391 PolarHBondContact O-OG 3.37Å; M388-S391 WeakPolarHBondContact CA-OG 3.44Å; M388-S391 PolarHBondContact O-OG 3.01Å; V389-S391 PolarHBondContact O-N 3.36Å
392	G	78.5	Confident	77	Confident	50 Å²	50	95.2 Å²	95.2	52%	0.515	51%	0.508	S	S	.	.			trans	80.6	125.6	-170.9	0	0	0	0	0	110.7	V389 A390	V389-G392 PolarHBondContact O-N 3.34Å; A390-G392 PolarHBondContact O-N 3.02Å
393	L	81.2	Confident	76.5	Confident	64 Å²	64	92.4 Å²	92.4	34%	0.335	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-82.4	151.7	173.9	-65.8	173.1	0	0	0	109.7	I357 E395	I357-L393 HydrophobicContact CD1-CD1 3.6Å; I357-L393 HydrophobicContact CD1-CD2 3.74Å; I357-L393 HydrophobicContact CD1-CG 4.34Å; L393-E395 PolarHBondContact O-N 3.31Å
394	T	80.6	Confident	76	Confident	35 Å²	35	87.9 Å²	87.9	22%	0.215	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.3	169.9	-60.6	0	0	0	0	108.3	Q346 R349 F350 E353	Q346-T394 HydrophobicContact CG-CG2 3.6Å; R349-T394 HydrophobicContact CB-CG2 4.45Å; F350-T394 HydrophobicContact CB-CG2 4.31Å; F350-T394 WeakPolarHBondContact CD2-O 3.48Å; E353-T394 VanDerWaalsContact CD-OG1 3.31Å; E353-T394 PolarHBondContact OE1-OG1 3.13Å; E353-T394 VanDerWaalsContact OE2-CB 3.31Å; E353-T394 WeakPolarHBondContact OE2-CB 3.48Å; E353-T394 PolarHBondContact OE2-N 2.83Å; E353-T394 PolarHBondContact OE2-OG1 2.81Å
395	E	77.2	Confident	76.1	Confident	126 Å²	126	85.3 Å²	85.3	59%	0.589	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-74.3	145.3	176.1	-67.3	-175.8	175.3	0	0	110.4	Q346 L393 V397	Q346-E395 PolarHBondContact NE2-O 2.82Å; L393-E395 PolarHBondContact O-N 3.31Å; E395-V397 PolarHBondContact O-N 3.09Å
396	R	80.2	Confident	76.3	Confident	163 Å²	163	87.7 Å²	87.7	62%	0.615	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-64.2	132.8	171.8	-176	179.2	176.1	177.7	1.4	109	M347 F350 V398	M347-R396 HydrophobicContact SD-CG 4.07Å; F350-R396 HydrophobicContact CD1-CB 4.19Å; F350-R396 HydrophobicContact CD1-CG 4.18Å; F350-R396 HydrophobicContact CD2-CB 4.24Å; F350-R396 HydrophobicContact CE1-CB 3.91Å; F350-R396 HydrophobicContact CE1-CG 3.91Å; F350-R396 HydrophobicContact CE2-CB 3.94Å; F350-R396 HydrophobicContact CG-CB 4.35Å; F350-R396 HydrophobicContact CZ-CB 3.76Å; F350-R396 HydrophobicContact CZ-CG 4.23Å; R396-V398 PolarHBondContact O-N 3.03Å; R396-V398 VanDerWaalsContact O-N 3.11Å
397	V	75.1	Confident	76.6	Confident	16 Å²	16	82.6 Å²	82.6	10%	0.097	45%	0.451	C	S	.	.			trans	-66.4	114.3	167.6	-176.3	0	0	0	0	107.8	E343 Q346 M347 E395	E343-V397 HydrophobicContact CB-CG1 4.11Å; E343-V397 HydrophobicContact CB-CG2 4.38Å; E343-V397 HydrophobicContact CG-CG1 3.99Å; Q346-V397 HydrophobicContact CB-CG2 3.79Å; Q346-V397 HydrophobicContact CG-CG2 3.73Å; M347-V397 HydrophobicContact CG-CB 3.63Å; M347-V397 HydrophobicContact CG-CG2 3.66Å; M347-V397 HydrophobicContact SD-CB 3.76Å; M347-V397 HydrophobicContact SD-CG2 4.15Å; E395-V397 PolarHBondContact O-N 3.09Å
398	V	66.6	Low	76.7	Confident	118 Å²	118	75.7 Å²	75.7	72%	0.715	42%	0.422	S	S	*	.			trans	-92	109.3	169.4	-179.2	0	0	0	0	105.8	R396 D400	R396-V398 PolarHBondContact O-N 3.03Å; R396-V398 VanDerWaalsContact O-N 3.11Å; V398-D400 PolarHBondContact O-N 2.9Å
399	N	59.5	Low	77	Confident	122 Å²	122	76.4 Å²	76.4	65%	0.652	43%	0.431	S	S	*	.			trans	-64.8	135.9	171.2	-65.8	0.3	0	0	0	108.2
400	D	60.3	Low	77.1	Confident	54 Å²	54	73 Å²	73	29%	0.289	41%	0.411	S	S	.	.			trans	-56.8	141.5	169.7	-68.1	-50.3	0	0	0	108.7	R339 V398 T402	R339-D400 IonicContact NH2-OD2 2.88Å; V398-D400 PolarHBondContact O-N 2.9Å; D400-T402 PolarHBondContact O-N 3.43Å
401	K	59.3	Low	77.4	Confident	195 Å²	195	70.9 Å²	70.9	85%	0.848	40%	0.398	S	S	*	.			trans	-63.4	113.3	-179.1	-78.4	-174.7	177.8	-176.9	0	108.6	L403	K401-L403 PolarHBondContact O-N 3.45Å; K401-L403 VanDerWaalsContact O-N 3.16Å
402	T	63.1	Low	77.8	Confident	136 Å²	136	76.3 Å²	76.3	83%	0.834	41%	0.41	S	S	*	.			trans	-60.9	117.4	174.1	52.8	0	0	0	0	109.4	D400	D400-T402 PolarHBondContact O-N 3.43Å
403	L	73.6	Confident	78.3	Confident	27 Å²	27	74.8 Å²	74.8	14%	0.141	39%	0.389	C	S	.	.			trans	-69.7	138.1	170.1	-63.1	171.4	0	0	0	108.1	K401 T573 A576	K401-L403 PolarHBondContact O-N 3.45Å; K401-L403 VanDerWaalsContact O-N 3.16Å; L403-T573 HydrophobicContact CD1-CG2 4.38Å; L403-T573 WeakPolarHBondContact CD1-OG1 3.39Å; L403-A576 HydrophobicContact CB-CB 3.82Å; L403-A576 VanDerWaalsContact O-CB 3.27Å; L403-A576 WeakPolarHBondContact O-CB 3.47Å
404	S	78.6	Confident	78.6	Confident	50 Å²	50	75.4 Å²	75.4	35%	0.35	40%	0.398	S	S	.	.			trans	-130.3	99.2	175.3	169.3	0	0	0	0	107.5	R524	S404-R524 WeakPolarHBondContact O-CG 3.46Å; S404-R524 PolarHBondContact O-NE 2.85Å
405	F	88.4	Confident	78.9	Confident	3 Å²	3	78.3 Å²	78.3	1%	0.013	42%	0.417	C	S	.	.			trans	-71.7	157.8	171.9	-75	10.2	0	0	0	109.4	Y525 R546 F549 T573 A576 L577 A580	F405-Y525 HydrophobicContact CB-CE1 4.32Å; F405-Y525 AromaticContact CD1-CD1 3.69Å; F405-Y525 HydrophobicContact CD1-CD1 3.69Å; F405-Y525 HydrophobicContact CD1-CE1 4.22Å; F405-Y525 HydrophobicContact CD1-CG 4.45Å; F405-Y525 HydrophobicContact CD2-CD1 4.41Å; F405-Y525 HydrophobicContact CD2-CE1 4.48Å; F405-Y525 AromaticContact CE1-CD1 3.83Å; F405-Y525 HydrophobicContact CE1-CD1 3.83Å; F405-Y525 HydrophobicContact CE1-CG 4.49Å; F405-Y525 HydrophobicContact CG-CD1 4Å; F405-Y525 HydrophobicContact CG-CE1 4.1Å; F405-Y525 HydrophobicContact CZ-CD1 4.24Å; F405-R546 HydrophobicContact CZ-CG 4.2Å; F405-F549 HydrophobicContact CE2-CB 4.17Å; F405-F549 AromaticContact CE2-CD2 3.86Å; F405-F549 HydrophobicContact CE2-CD2 3.86Å; F405-F549 HydrophobicContact CE2-CE2 4.45Å; F405-F549 AromaticContact CE2-CG 3.97Å; F405-F549 HydrophobicContact CE2-CG 3.97Å; F405-F549 HydrophobicContact CZ-CD2 4.36Å; F405-T573 HydrophobicContact CE1-CG2 4.13Å; F405-T573 HydrophobicContact CE2-CG2 4Å; F405-T573 HydrophobicContact CZ-CG2 3.4Å; F405-A576 HydrophobicContact CD1-CB 4.36Å; F405-A576 HydrophobicContact CG-CB 4.45Å; F405-L577 HydrophobicContact CD2-CB 3.9Å; F405-L577 HydrophobicContact CD2-CD1 3.92Å; F405-L577 HydrophobicContact CE2-CB 4.13Å; F405-L577 HydrophobicContact CE2-CD1 4.33Å; F405-A580 VanDerWaalsContact C-CB 3.44Å; F405-A580 HydrophobicContact CB-CB 3.42Å; F405-A580 VanDerWaalsContact CB-CB 3.42Å; F405-A580 WeakPolarHBondContact O-CB 3.39Å
406	Y	89.4	Confident	79.3	Confident	73 Å²	73	75.5 Å²	75.5	29%	0.286	41%	0.409	S	S	.	.			trans	-155.4	117.6	-177.1	174.5	-103.5	0	0	0	112	P408 P409 R524 Y525	Y406-P408 HydrophobicContact CD1-CG 4.29Å; Y406-P408 HydrophobicContact CE1-CB 4.17Å; Y406-P408 HydrophobicContact CE1-CG 3.93Å; Y406-P409 WeakPolarHBondContact OH-CD 3.37Å; Y406-R524 VanDerWaalsContact CG-CZ 3.43Å; Y406-Y525 PolarHBondContact O-OH 2.79Å
407	F	91.2	Very high	79.9	Confident	9 Å²	9	67.8 Å²	67.8	4%	0.039	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-95.7	117.1	171.9	-65.8	-79.7	0	0	0	109.3	F549 A553 L560 L577 A580 I581 F584	F407-F549 HydrophobicContact CZ-CD1 4.49Å; F407-A553 HydrophobicContact CD1-CB 3.59Å; F407-A553 HydrophobicContact CE1-CB 3.83Å; F407-A553 HydrophobicContact CG-CB 4.44Å; F407-L560 HydrophobicContact CD1-CD1 3.83Å; F407-L560 HydrophobicContact CD1-CD2 4.43Å; F407-L560 HydrophobicContact CD2-CD1 4.32Å; F407-L560 HydrophobicContact CE1-CD1 3.86Å; F407-L560 HydrophobicContact CE1-CD2 4.21Å; F407-L560 HydrophobicContact CE2-CD1 4.35Å; F407-L560 HydrophobicContact CG-CD1 4.08Å; F407-L560 HydrophobicContact CZ-CD1 4.13Å; F407-L577 HydrophobicContact CE2-CD1 4.2Å; F407-L577 HydrophobicContact CZ-CD1 4.25Å; F407-A580 HydrophobicContact CD2-CB 3.83Å; F407-A580 HydrophobicContact CE2-CB 3.89Å; F407-I581 HydrophobicContact CE2-CG1 4.34Å; F407-F584 HydrophobicContact CB-CB 4.18Å; F407-F584 HydrophobicContact CB-CD2 3.53Å; F407-F584 HydrophobicContact CB-CE2 4.26Å; F407-F584 HydrophobicContact CB-CG 4.14Å; F407-F584 HydrophobicContact CD2-CB 4.5Å; F407-F584 HydrophobicContact CG-CD2 4.29Å
408	P	89.4	Confident	80.9	Confident	14 Å²	14	67 Å²	67	9%	0.091	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.1	148.6	176	-21.4	32.8	0	0	0	112	Y406 C410 A553 W554 N556	Y406-P408 HydrophobicContact CD1-CG 4.29Å; Y406-P408 HydrophobicContact CE1-CB 4.17Å; Y406-P408 HydrophobicContact CE1-CG 3.93Å; P408-C410 PolarHBondContact O-N 2.59Å; P408-A553 WeakPolarHBondContact CD-O 3.43Å; P408-W554 HydrophobicContact CG-CE3 3.91Å; P408-W554 HydrophobicContact CG-CZ3 3.85Å; P408-N556 WeakPolarHBondContact CB-OD1 3.27Å; P408-N556 WeakPolarHBondContact CG-OD1 3.47Å
409	P	86.8	Confident	82.2	Confident	78 Å²	78	64.4 Å²	64.4	51%	0.506	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.2	132.9	179.5	26.5	-34	0	0	0	111.1	Y406	Y406-P409 WeakPolarHBondContact OH-CD 3.37Å
410	C	83.3	Confident	83.9	Confident	16 Å²	16	58.7 Å²	58.7	11%	0.108	33%	0.326	C	S	.	.			trans	-91.6	-2.1	-172	59.8	0	0	0	0	114.7	P408 P557 H558	P408-C410 PolarHBondContact O-N 2.59Å; C410-P557 WeakPolarHBondContact CB-O 3.31Å; C410-H558 HydrophobicContact CB-CB 4.36Å; C410-H558 PolarHBondContact O-CD2 3.34Å; C410-H558 PolarHBondContact O-NE2 3.02Å
411	G	85.1	Confident	85.6	Confident	44 Å²	44	58.8 Å²	58.8	45%	0.454	33%	0.325	S	S	.	.			trans	75.9	-173.5	-170.8	0	0	0	0	0	112.7
412	K	86.7	Confident	87.3	Confident	210 Å²	210	53.2 Å²	53.2	91%	0.913	30%	0.304	S	S	*	.			trans	-107.3	136.1	-174.7	-63.1	-171.9	178.6	-173.8	0	111.9
413	I	89.7	Confident	88.8	Confident	17 Å²	17	46.8 Å²	46.8	9%	0.087	27%	0.265	C	S	.	.			trans	-118.9	133.7	170	-63.6	-178.4	0	0	0	107.7	V417 L444 H479 V482 H558	I413-V417 HydrophobicContact CG2-CG2 4.18Å; I413-L444 HydrophobicContact CB-CD1 3.91Å; I413-L444 HydrophobicContact CB-CG 4.43Å; I413-L444 HydrophobicContact CG1-CD1 4.43Å; I413-L444 VanDerWaalsContact N-CD1 3.34Å; I413-H479 HydrophobicContact CG2-CB 3.97Å; I413-V482 HydrophobicContact CD1-CB 4.05Å; I413-V482 HydrophobicContact CD1-CG2 4.1Å; I413-H558 HydrophobicContact CD1-CB 3.77Å; I413-H558 WeakPolarHBondContact CD1-CD2 3.44Å
414	P	87.3	Confident	89.8	Confident	78 Å²	78	46.2 Å²	46.2	51%	0.506	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-66.8	139.2	176.6	27.9	-34.1	0	0	0	111.1
415	P	86.4	Confident	90.6	Very high	95 Å²	95	44.3 Å²	44.3	62%	0.617	25%	0.249	S	C	*	.	S	Bend	trans	-69.1	151.8	173	30.3	-34.6	0	0	0	110.7	D443	P415-D443 VanDerWaalsContact CB-OD1 3.31Å; P415-D443 WeakPolarHBondContact CB-OD1 3.08Å
416	P	86.4	Confident	90.8	Very high	67 Å²	67	46 Å²	46	44%	0.435	26%	0.256	S	S	.	.	P	Polyproline II helix	cis	-81.4	135	-1.1	31.7	-34.1	0	0	0	112.9	M419 D443	P416-M419 HydrophobicContact CB-CE 3.98Å; P416-M419 HydrophobicContact CG-CE 3.64Å; P416-D443 VanDerWaalsContact CA-OD1 3.29Å; P416-D443 WeakPolarHBondContact CA-OD1 3.46Å
417	V	92.9	Very high	90.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	27%	0.266	C	S	.	.	S	Bend	trans	-77.6	-50.6	-179.9	-174.9	0	0	0	0	111.5	I413 I442 D443 L444 K478 H479 V482 M559	I413-V417 HydrophobicContact CG2-CG2 4.18Å; V417-I442 WeakPolarHBondContact CB-O 3.22Å; V417-I442 PolarHBondContact N-O 3.08Å; V417-D443 PolarHBondContact N-OD1 2.93Å; V417-D443 VanDerWaalsContact N-OD1 3.14Å; V417-L444 HydrophobicContact CG1-CD2 4.47Å; V417-L444 HydrophobicContact CG2-CD2 4Å; V417-L444 HydrophobicContact CG2-CG 3.83Å; V417-K478 WeakPolarHBondContact O-CA 3.39Å; V417-H479 PolarHBondContact O-N 3.41Å; V417-V482 HydrophobicContact CG1-CB 4.09Å; V417-V482 HydrophobicContact CG1-CG2 3.45Å; V417-V482 VanDerWaalsContact CG1-CG2 3.45Å; V417-M559 HydrophobicContact CB-SD 4.36Å; V417-M559 HydrophobicContact CG1-CG 4.29Å; V417-M559 HydrophobicContact CG1-SD 3.57Å; V417-M559 VanDerWaalsContact CG1-SD 3.57Å
418	I	94.6	Very high	90.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129	171.4	-53.6	-178.2	0	0	0	108.8	V420 G441 I442 L465 I476 R477 K478 I484 M559 F561	I418-V420 HydrophobicContact CG2-CG2 4.39Å; I418-G441 CarbonylContact O-C 3.58Å; I418-G441 WeakPolarHBondContact O-CA 3.28Å; I418-I442 HydrophobicContact CB-CB 4.31Å; I418-I442 HydrophobicContact CB-CD1 4.42Å; I418-I442 PolarHBondContact N-O 3.29Å; I418-I442 PolarHBondContact O-N 3.11Å; I418-L465 HydrophobicContact CG2-CD2 3.91Å; I418-I476 HydrophobicContact CG2-CG2 4.02Å; I418-R477 CarbonylContact C-O 3.58Å; I418-R477 WeakPolarHBondContact CA-O 3.11Å; I418-K478 HydrophobicContact CG1-CG 4.19Å; I418-K478 HydrophobicContact CG2-CG 4.25Å; I418-I484 HydrophobicContact CD1-CD1 3.79Å; I418-M559 HydrophobicContact CD1-CE 3.88Å; I418-M559 HydrophobicContact CD1-SD 3.48Å; I418-M559 WeakPolarHBondContact CD1-SD 3.27Å; I418-M559 HydrophobicContact CG1-CE 4.38Å; I418-M559 HydrophobicContact CG1-SD 3.77Å; I418-F561 HydrophobicContact CD1-CZ 3.99Å
419	M	95.1	Very high	90.2	Very high	63 Å²	63	56.5 Å²	56.5	31%	0.31	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.9	177.7	-178.5	-179.9	-80.6	0	0	109.6	P416 Q421 I476 R477	P416-M419 HydrophobicContact CB-CE 3.98Å; P416-M419 HydrophobicContact CG-CE 3.64Å; M419-Q421 HydrophobicContact CG-CG 3.85Å; M419-Q421 HydrophobicContact SD-CG 4.18Å; M419-I476 CarbonylContact O-C 3.57Å; M419-I476 WeakPolarHBondContact O-CA 3.48Å; M419-R477 HydrophobicContact CB-CB 4.49Å; M419-R477 PolarHBondContact N-O 3.45Å; M419-R477 PolarHBondContact O-N 2.96Å
420	V	95.3	Very high	89.9	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.8	178.4	-178.7	0	0	0	0	107.9	I418 V423 L438 E439 F440 L465 I476	I418-V420 HydrophobicContact CG2-CG2 4.39Å; V420-V423 HydrophobicContact CG1-CB 3.69Å; V420-V423 HydrophobicContact CG1-CG1 4.5Å; V420-V423 HydrophobicContact CG1-CG2 3.58Å; V420-L438 HydrophobicContact CG1-CB 4.18Å; V420-E439 WeakPolarHBondContact O-CA 3.47Å; V420-F440 HydrophobicContact CB-CD1 4.39Å; V420-F440 HydrophobicContact CB-CD2 4.25Å; V420-F440 HydrophobicContact CB-CE1 4.2Å; V420-F440 HydrophobicContact CB-CE2 4.05Å; V420-F440 HydrophobicContact CB-CG 4.42Å; V420-F440 HydrophobicContact CB-CZ 4.02Å; V420-F440 HydrophobicContact CG1-CE1 4.07Å; V420-F440 HydrophobicContact CG1-CZ 4.15Å; V420-F440 HydrophobicContact CG2-CD2 4.08Å; V420-F440 HydrophobicContact CG2-CE1 4.32Å; V420-F440 HydrophobicContact CG2-CE2 3.5Å; V420-F440 VanDerWaalsContact CG2-CE2 3.5Å; V420-F440 HydrophobicContact CG2-CZ 3.64Å; V420-F440 PolarHBondContact N-O 2.85Å; V420-F440 PolarHBondContact O-N 3.48Å; V420-F440 VanDerWaalsContact O-N 3.15Å; V420-L465 HydrophobicContact CG2-CD2 3.7Å; V420-I476 HydrophobicContact CG1-CG1 4.44Å; V420-I476 HydrophobicContact CG2-CG1 4.33Å; V420-I476 HydrophobicContact CG2-CG2 4.33Å
421	Q	95.5	Very high	89.8	Confident	57 Å²	57	62.3 Å²	62.3	27%	0.266	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.4	-176.3	-62.9	-176.5	-56.7	0	0	111.1	M419 V423 G474 M475	M419-Q421 HydrophobicContact CG-CG 3.85Å; M419-Q421 HydrophobicContact SD-CG 4.18Å; Q421-V423 PolarHBondContact O-N 2.87Å; Q421-V423 VanDerWaalsContact O-N 3.13Å; Q421-G474 WeakPolarHBondContact O-CA 3.35Å; Q421-M475 HydrophobicContact CB-CG 4.14Å; Q421-M475 PolarHBondContact N-O 2.82Å; Q421-M475 PolarHBondContact O-N 3.09Å; Q421-M475 VanDerWaalsContact OE1-CE 3.25Å
422	N	94.8	Very high	89.8	Confident	77 Å²	77	65 Å²	65	41%	0.412	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.7	34.6	177.7	-59.4	-20.6	0	0	0	114.1	S424 N437 L438 G474	N422-S424 PolarHBondContact O-N 3.16Å; N422-N437 VanDerWaalsContact CA-OD1 3.31Å; N422-N437 WeakPolarHBondContact CA-OD1 3.47Å; N422-N437 WeakPolarHBondContact CB-OD1 3.38Å; N422-N437 PolarHBondContact OD1-OD1 3Å; N422-N437 VanDerWaalsContact OD1-OD1 3.05Å; N422-L438 PolarHBondContact N-O 3.42Å; N422-G474 WeakPolarHBondContact O-CA 3.26Å
423	V	95	Very high	89.8	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.3	-172.2	166.4	0	0	0	0	111.3	V420 Q421 N437 L438 P471 D473 M475 I476	V420-V423 HydrophobicContact CG1-CB 3.69Å; V420-V423 HydrophobicContact CG1-CG1 4.5Å; V420-V423 HydrophobicContact CG1-CG2 3.58Å; Q421-V423 PolarHBondContact O-N 2.87Å; Q421-V423 VanDerWaalsContact O-N 3.13Å; V423-N437 PolarHBondContact O-N 3.17Å; V423-L438 HydrophobicContact CB-CB 4.26Å; V423-L438 PolarHBondContact N-O 2.8Å; V423-L438 PolarHBondContact O-N 3.19Å; V423-P471 HydrophobicContact CG1-CB 3.76Å; V423-P471 HydrophobicContact CG2-CB 4.3Å; V423-D473 CarbonylContact C-O 3.52Å; V423-D473 VanDerWaalsContact CA-O 3.3Å; V423-D473 WeakPolarHBondContact CA-O 3.37Å; V423-M475 WeakPolarHBondContact CG2-O 3.35Å; V423-I476 HydrophobicContact CG2-CD1 4.46Å; V423-I476 HydrophobicContact CG2-CG1 3.74Å
424	S	94.4	Very high	89.8	Confident	15 Å²	15	58.5 Å²	58.5	11%	0.105	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.5	170.1	-54.8	0	0	0	0	110.1	N422 Y435 N437 T472 D473	N422-S424 PolarHBondContact O-N 3.16Å; S424-Y435 VanDerWaalsContact CA-O 3.29Å; S424-Y435 WeakPolarHBondContact CA-O 3.44Å; S424-N437 PolarHBondContact OG-N 3.16Å; S424-T472 WeakPolarHBondContact O-CB 3.21Å; S424-T472 PolarHBondContact O-N 2.79Å; S424-D473 PolarHBondContact N-O 3.33Å; S424-D473 PolarHBondContact O-N 2.79Å
425	F	94.3	Very high	90.1	Very high	9 Å²	9	54.8 Å²	54.8	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.1	-176.5	-177.8	-100.4	0	0	0	112.8	Y427 I434 Y435 T460 L464 L469 L470	F425-Y427 HydrophobicContact CE1-CD1 4.06Å; F425-Y427 HydrophobicContact CE1-CD2 4.27Å; F425-Y427 HydrophobicContact CE1-CE1 4.06Å; F425-Y427 HydrophobicContact CE1-CE2 4.29Å; F425-Y427 HydrophobicContact CE1-CG 4.16Å; F425-Y427 AromaticContact CZ-CD1 3.93Å; F425-Y427 HydrophobicContact CZ-CD1 3.93Å; F425-Y427 HydrophobicContact CZ-CE1 4.07Å; F425-Y427 HydrophobicContact CZ-CG 4.36Å; F425-I434 HydrophobicContact CD1-CB 4.44Å; F425-I434 HydrophobicContact CD1-CD1 4.23Å; F425-I434 HydrophobicContact CE1-CD1 4.19Å; F425-I434 PolarHBondContact O-N 3.37Å; F425-Y435 PolarHBondContact N-O 3.24Å; F425-Y435 PolarHBondContact O-N 3.06Å; F425-T460 HydrophobicContact CD1-CG2 3.58Å; F425-T460 HydrophobicContact CE1-CG2 3.4Å; F425-T460 VanDerWaalsContact CE1-CG2 3.4Å; F425-T460 HydrophobicContact CZ-CG2 4.32Å; F425-L464 HydrophobicContact CB-CD1 3.98Å; F425-L464 HydrophobicContact CD1-CD1 4.35Å; F425-L464 HydrophobicContact CD2-CD1 4.48Å; F425-L464 HydrophobicContact CD2-CD2 3.76Å; F425-L464 HydrophobicContact CE2-CD2 4.18Å; F425-L464 HydrophobicContact CG-CD1 4Å; F425-L464 HydrophobicContact CG-CD2 4.13Å; F425-L469 HydrophobicContact CE1-CD1 4.22Å; F425-L469 HydrophobicContact CE2-CB 4.18Å; F425-L469 HydrophobicContact CE2-CD1 4.45Å; F425-L469 HydrophobicContact CZ-CB 4.34Å; F425-L469 HydrophobicContact CZ-CD1 3.81Å; F425-L469 HydrophobicContact CZ-CD2 4.38Å; F425-L469 HydrophobicContact CZ-CG 4.41Å; F425-L470 WeakPolarHBondContact CD2-O 3.48Å; F425-L470 WeakPolarHBondContact CE2-O 3.42Å
426	K	92.6	Very high	90.5	Very high	40 Å²	40	55.3 Å²	55.3	17%	0.174	29%	0.291	C	S	.	.			trans	-141.7	149.1	167.7	62.9	-175.9	-177.7	176	0	109.1	D429 T472	K426-D429 WeakPolarHBondContact CE-OD1 3.22Å; K426-D429 IonicContact NZ-OD1 2.54Å; K426-D429 PolarHBondContact NZ-OD1 3.39Å; K426-T472 HydrophobicContact CG-CG2 4.4Å; K426-T472 PolarHBondContact N-OG1 3.44Å
427	Y	87.2	Confident	90.7	Very high	128 Å²	128	56.8 Å²	56.8	50%	0.502	30%	0.295	S	S	.	.	S	Bend	trans	-73.3	-33.9	-179.4	-82.3	-70.2	0	0	0	113	F425 T431 I434 T460 L469	F425-Y427 HydrophobicContact CE1-CD1 4.06Å; F425-Y427 HydrophobicContact CE1-CD2 4.27Å; F425-Y427 HydrophobicContact CE1-CE1 4.06Å; F425-Y427 HydrophobicContact CE1-CE2 4.29Å; F425-Y427 HydrophobicContact CE1-CG 4.16Å; F425-Y427 AromaticContact CZ-CD1 3.93Å; F425-Y427 HydrophobicContact CZ-CD1 3.93Å; F425-Y427 HydrophobicContact CZ-CE1 4.07Å; F425-Y427 HydrophobicContact CZ-CG 4.36Å; Y427-T431 PolarHBondContact N-OG1 3.41Å; Y427-I434 HydrophobicContact CD2-CD1 3.39Å; Y427-I434 HydrophobicContact CE2-CD1 3.22Å; Y427-T460 PolarHBondContact OH-OG1 3.31Å; Y427-L469 HydrophobicContact CE1-CD1 4.23Å
428	S	87.6	Confident	90.8	Very high	56 Å²	56	56.9 Å²	56.9	39%	0.392	30%	0.296	S	S	.	.	S	Bend	trans	-151.4	162.8	175.6	63.7	0	0	0	0	110.3	N430 T431	S428-N430 PolarHBondContact O-N 2.88Å; S428-N430 VanDerWaalsContact O-N 3.15Å; S428-T431 PolarHBondContact N-OG1 3.24Å; S428-T431 PolarHBondContact O-N 3Å; S428-T431 PolarHBondContact O-OG1 3.48Å; S428-T431 WeakPolarHBondContact OG-CG2 3.38Å; S428-T431 PolarHBondContact OG-OG1 3.5Å
429	D	82.4	Confident	90.7	Very high	131 Å²	131	63.4 Å²	63.4	70%	0.701	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.2	-177.5	-71.1	-47.6	0	0	0	114.1	K426	K426-D429 WeakPolarHBondContact CE-OD1 3.22Å; K426-D429 IonicContact NZ-OD1 2.54Å; K426-D429 PolarHBondContact NZ-OD1 3.39Å
430	N	81.1	Confident	90.7	Very high	165 Å²	165	62 Å²	62	88%	0.882	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.5	179.5	-65.6	-13	0	0	0	113.3	S428	S428-N430 PolarHBondContact O-N 2.88Å; S428-N430 VanDerWaalsContact O-N 3.15Å
431	T	81.8	Confident	90.5	Very high	52 Å²	52	63.9 Å²	63.9	32%	0.319	34%	0.338	S	S	.	.	S	Bend	trans	-96.1	147.1	177.1	55.7	0	0	0	0	111.2	Y427 S428	Y427-T431 PolarHBondContact N-OG1 3.41Å; S428-T431 PolarHBondContact N-OG1 3.24Å; S428-T431 PolarHBondContact O-N 3Å; S428-T431 PolarHBondContact O-OG1 3.48Å; S428-T431 WeakPolarHBondContact OG-CG2 3.38Å; S428-T431 PolarHBondContact OG-OG1 3.5Å
432	P	84.6	Confident	90.4	Very high	100 Å²	100	61.1 Å²	61.1	65%	0.649	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-61.1	151	174.6	27.2	-34.5	0	0	0	110.7	I434	P432-I434 PolarHBondContact O-N 2.93Å
433	H	86.4	Confident	90.3	Very high	60 Å²	60	59.7 Å²	59.7	28%	0.278	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-59.3	130.3	171.5	-78.7	-92.6	0	0	0	110.4	K436 Q611	H433-K436 HydrophobicContact CB-CD 4.43Å; H433-K436 HydrophobicContact CB-CG 3.9Å; H433-Q611 VanDerWaalsContact O-CD 3.32Å; H433-Q611 WeakPolarHBondContact O-CG 3.31Å
434	I	90.8	Very high	90.1	Very high	31 Å²	31	60.8 Å²	60.8	16%	0.159	32%	0.323	C	S	.	.	S	Bend	trans	-80.4	-40.6	169.2	-63.1	177.5	0	0	0	108.9	F425 Y427 P432 T460 Q611	F425-I434 HydrophobicContact CD1-CB 4.44Å; F425-I434 HydrophobicContact CD1-CD1 4.23Å; F425-I434 HydrophobicContact CE1-CD1 4.19Å; F425-I434 PolarHBondContact O-N 3.37Å; Y427-I434 HydrophobicContact CD2-CD1 3.39Å; Y427-I434 HydrophobicContact CE2-CD1 3.22Å; P432-I434 PolarHBondContact O-N 2.93Å; I434-T460 HydrophobicContact CD1-CG2 4.31Å; I434-Q611 WeakPolarHBondContact O-CA 2.94Å
435	Y	93.7	Very high	89.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.8	-179.6	-66.4	-56.5	0	0	0	111.4	S424 F425 L438 G457 L461 L464 C608 Q611 I613	S424-Y435 VanDerWaalsContact CA-O 3.29Å; S424-Y435 WeakPolarHBondContact CA-O 3.44Å; F425-Y435 PolarHBondContact N-O 3.24Å; F425-Y435 PolarHBondContact O-N 3.06Å; Y435-L438 HydrophobicContact CD1-CD1 3.65Å; Y435-L438 HydrophobicContact CD1-CD2 4.07Å; Y435-L438 HydrophobicContact CD1-CG 4.18Å; Y435-L438 HydrophobicContact CD2-CD1 3.94Å; Y435-L438 HydrophobicContact CE1-CD1 4.27Å; Y435-L438 HydrophobicContact CG-CD1 3.46Å; Y435-L438 VanDerWaalsContact CG-CD1 3.46Å; Y435-L438 HydrophobicContact CG-CG 4.16Å; Y435-G457 WeakPolarHBondContact OH-CA 3.33Å; Y435-G457 PolarHBondContact OH-O 2.99Å; Y435-L461 HydrophobicContact CE2-CB 4.18Å; Y435-L461 HydrophobicContact CE2-CD1 4.32Å; Y435-L464 HydrophobicContact CD2-CD1 4.12Å; Y435-L464 HydrophobicContact CE2-CD1 4.44Å; Y435-C608 PolarHBondContact OH-SG 2.97Å; Y435-Q611 WeakPolarHBondContact CA-O 3.29Å; Y435-I613 HydrophobicContact CD1-CG1 4.5Å; Y435-I613 HydrophobicContact CE1-CD1 4.04Å; Y435-I613 HydrophobicContact CE1-CG1 3.9Å
436	K	93	Very high	89.8	Confident	105 Å²	105	66 Å²	66	46%	0.457	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.9	173.1	-69.4	-178.4	177.2	164.5	0	110.2	H433 L438 Q611	H433-K436 HydrophobicContact CB-CD 4.43Å; H433-K436 HydrophobicContact CB-CG 3.9Å; K436-L438 PolarHBondContact O-N 3.38Å; K436-Q611 PolarHBondContact N-O 3.21Å
437	N	92.4	Very high	89.9	Confident	98 Å²	98	65.4 Å²	65.4	52%	0.524	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.4	50.8	171.4	-161.6	47.5	0	0	0	114.1	N422 V423 S424	N422-N437 VanDerWaalsContact CA-OD1 3.31Å; N422-N437 WeakPolarHBondContact CA-OD1 3.47Å; N422-N437 WeakPolarHBondContact CB-OD1 3.38Å; N422-N437 PolarHBondContact OD1-OD1 3Å; N422-N437 VanDerWaalsContact OD1-OD1 3.05Å; V423-N437 PolarHBondContact O-N 3.17Å; S424-N437 PolarHBondContact OG-N 3.16Å
438	L	94.1	Very high	90.2	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.8	175.6	-65.9	-179.3	0	0	0	110.9	V420 N422 V423 Y435 K436 F440 L461 I613	V420-L438 HydrophobicContact CG1-CB 4.18Å; N422-L438 PolarHBondContact N-O 3.42Å; V423-L438 HydrophobicContact CB-CB 4.26Å; V423-L438 PolarHBondContact N-O 2.8Å; V423-L438 PolarHBondContact O-N 3.19Å; Y435-L438 HydrophobicContact CD1-CD1 3.65Å; Y435-L438 HydrophobicContact CD1-CD2 4.07Å; Y435-L438 HydrophobicContact CD1-CG 4.18Å; Y435-L438 HydrophobicContact CD2-CD1 3.94Å; Y435-L438 HydrophobicContact CE1-CD1 4.27Å; Y435-L438 HydrophobicContact CG-CD1 3.46Å; Y435-L438 VanDerWaalsContact CG-CD1 3.46Å; Y435-L438 HydrophobicContact CG-CG 4.16Å; K436-L438 PolarHBondContact O-N 3.38Å; L438-F440 HydrophobicContact CB-CE1 4.22Å; L438-F440 HydrophobicContact CD1-CE1 4.36Å; L438-L461 HydrophobicContact CD1-CD1 4.11Å; L438-I613 HydrophobicContact CD1-CD1 3.99Å; L438-I613 HydrophobicContact CD2-CB 4.18Å; L438-I613 HydrophobicContact CD2-CD1 4.15Å; L438-I613 HydrophobicContact CD2-CG1 3.98Å
439	E	93.4	Very high	90.6	Very high	137 Å²	137	56.7 Å²	56.7	64%	0.64	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	115.6	177.3	-170.5	174.3	-167.9	0	0	110.1	V420	V420-E439 WeakPolarHBondContact O-CA 3.47Å
440	F	93.5	Very high	91.1	Very high	34 Å²	34	50.5 Å²	50.5	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	160	174.6	57.1	-95.6	0	0	0	111.4	V420 L438 I442 L461 L465 W606 I613	V420-F440 HydrophobicContact CB-CD1 4.39Å; V420-F440 HydrophobicContact CB-CD2 4.25Å; V420-F440 HydrophobicContact CB-CE1 4.2Å; V420-F440 HydrophobicContact CB-CE2 4.05Å; V420-F440 HydrophobicContact CB-CG 4.42Å; V420-F440 HydrophobicContact CB-CZ 4.02Å; V420-F440 HydrophobicContact CG1-CE1 4.07Å; V420-F440 HydrophobicContact CG1-CZ 4.15Å; V420-F440 HydrophobicContact CG2-CD2 4.08Å; V420-F440 HydrophobicContact CG2-CE1 4.32Å; V420-F440 HydrophobicContact CG2-CE2 3.5Å; V420-F440 VanDerWaalsContact CG2-CE2 3.5Å; V420-F440 HydrophobicContact CG2-CZ 3.64Å; V420-F440 PolarHBondContact N-O 2.85Å; V420-F440 PolarHBondContact O-N 3.48Å; V420-F440 VanDerWaalsContact O-N 3.15Å; L438-F440 HydrophobicContact CB-CE1 4.22Å; L438-F440 HydrophobicContact CD1-CE1 4.36Å; F440-I442 HydrophobicContact CD2-CD1 4.41Å; F440-I442 HydrophobicContact CD2-CG1 4Å; F440-I442 HydrophobicContact CE2-CD1 3.9Å; F440-I442 HydrophobicContact CE2-CG1 4Å; F440-L461 HydrophobicContact CE1-CD1 4.41Å; F440-L461 HydrophobicContact CZ-CD1 3.99Å; F440-L465 HydrophobicContact CE2-CD2 4.22Å; F440-L465 HydrophobicContact CZ-CD2 4.36Å; F440-W606 HydrophobicContact CB-CH2 4.06Å; F440-W606 HydrophobicContact CD1-CZ3 4.3Å; F440-W606 AromaticContact CD2-CH2 3.46Å; F440-W606 HydrophobicContact CD2-CH2 3.46Å; F440-W606 VanDerWaalsContact CD2-CH2 3.46Å; F440-W606 AromaticContact CD2-CZ3 3.58Å; F440-W606 HydrophobicContact CD2-CZ3 3.58Å; F440-W606 HydrophobicContact CE1-CZ3 4.41Å; F440-W606 HydrophobicContact CE2-CH2 4.04Å; F440-W606 AromaticContact CE2-CZ3 3.72Å; F440-W606 HydrophobicContact CE2-CZ3 3.72Å; F440-W606 AromaticContact CG-CH2 3.8Å; F440-W606 HydrophobicContact CG-CH2 3.8Å; F440-W606 AromaticContact CG-CZ3 3.9Å; F440-W606 HydrophobicContact CG-CZ3 3.9Å; F440-W606 HydrophobicContact CZ-CZ3 4.14Å; F440-I613 HydrophobicContact CE1-CD1 4.1Å
441	G	92.6	Very high	91.6	Very high	40 Å²	40	42.7 Å²	42.7	41%	0.412	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.8	170.3	0	0	0	0	0	111.2	I418	I418-G441 CarbonylContact O-C 3.58Å; I418-G441 WeakPolarHBondContact O-CA 3.28Å
442	I	93.2	Very high	91.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.7	170.4	-47.6	163.8	0	0	0	107.8	V417 I418 F440 T446 L465 M559 M589 W606	V417-I442 WeakPolarHBondContact CB-O 3.22Å; V417-I442 PolarHBondContact N-O 3.08Å; I418-I442 HydrophobicContact CB-CB 4.31Å; I418-I442 HydrophobicContact CB-CD1 4.42Å; I418-I442 PolarHBondContact N-O 3.29Å; I418-I442 PolarHBondContact O-N 3.11Å; F440-I442 HydrophobicContact CD2-CD1 4.41Å; F440-I442 HydrophobicContact CD2-CG1 4Å; F440-I442 HydrophobicContact CE2-CD1 3.9Å; F440-I442 HydrophobicContact CE2-CG1 4Å; I442-T446 HydrophobicContact CG2-CG2 3.82Å; I442-L465 HydrophobicContact CD1-CD1 3.76Å; I442-L465 HydrophobicContact CD1-CD2 4.12Å; I442-M559 HydrophobicContact CB-CE 3.96Å; I442-M559 HydrophobicContact CG2-CE 3.24Å; I442-M589 HydrophobicContact CD1-CE 3.42Å; I442-M589 VanDerWaalsContact CD1-CE 3.42Å; I442-M589 HydrophobicContact CG1-CE 4.25Å; I442-W606 HydrophobicContact CG1-CH2 4.22Å
443	D	93	Very high	91.8	Very high	46 Å²	46	37.5 Å²	37.5	25%	0.246	20%	0.198	C	C	.	.			trans	-118.6	176.2	-179.9	-71.2	-40.6	0	0	0	111.6	P415 P416 V417 D445 T446	P415-D443 VanDerWaalsContact CB-OD1 3.31Å; P415-D443 WeakPolarHBondContact CB-OD1 3.08Å; P416-D443 VanDerWaalsContact CA-OD1 3.29Å; P416-D443 WeakPolarHBondContact CA-OD1 3.46Å; V417-D443 PolarHBondContact N-OD1 2.93Å; V417-D443 VanDerWaalsContact N-OD1 3.14Å; D443-D445 VanDerWaalsContact C-N 3.27Å; D443-D445 VanDerWaalsContact CB-OD1 3.23Å; D443-D445 WeakPolarHBondContact CB-OD1 3.35Å; D443-D445 PolarHBondContact O-N 2.86Å; D443-T446 PolarHBondContact N-OG1 2.66Å; D443-T446 VanDerWaalsContact O-CB 3.31Å; D443-T446 WeakPolarHBondContact O-CB 3.37Å; D443-T446 PolarHBondContact O-N 2.74Å; D443-T446 PolarHBondContact O-OG1 3.09Å
444	L	91.1	Very high	91.6	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.136	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.4	-177.8	-66.6	-174.1	0	0	0	113.6	I413 V417 R447 H558 M559 G586 G587	I413-L444 HydrophobicContact CB-CD1 3.91Å; I413-L444 HydrophobicContact CB-CG 4.43Å; I413-L444 HydrophobicContact CG1-CD1 4.43Å; I413-L444 VanDerWaalsContact N-CD1 3.34Å; V417-L444 HydrophobicContact CG1-CD2 4.47Å; V417-L444 HydrophobicContact CG2-CD2 4Å; V417-L444 HydrophobicContact CG2-CG 3.83Å; L444-R447 PolarHBondContact O-NH1 2.94Å; L444-H558 HydrophobicContact CD2-CB 4.04Å; L444-H558 WeakPolarHBondContact CD2-O 3.19Å; L444-M559 HydrophobicContact CD2-CG 4.41Å; L444-G586 CarbonylContact O-C 3.44Å; L444-G587 VanDerWaalsContact O-CA 3.25Å; L444-G587 WeakPolarHBondContact O-CA 3.34Å; L444-G587 PolarHBondContact O-N 2.75Å
445	D	89.9	Confident	91	Very high	113 Å²	113	39.7 Å²	39.7	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.2	174.5	60.5	-14.2	0	0	0	112.6	D443 R447	D443-D445 VanDerWaalsContact C-N 3.27Å; D443-D445 VanDerWaalsContact CB-OD1 3.23Å; D443-D445 WeakPolarHBondContact CB-OD1 3.35Å; D443-D445 PolarHBondContact O-N 2.86Å; D445-R447 PolarHBondContact O-N 3.11Å; D445-R447 PolarHBondContact O-NH1 3.21Å
446	T	92.1	Very high	90.6	Very high	19 Å²	19	40.8 Å²	40.8	12%	0.117	24%	0.24	C	C	.	.			trans	-66.9	125.8	-178.3	-55.8	0	0	0	0	110.5	I442 D443 V448 M588	I442-T446 HydrophobicContact CG2-CG2 3.82Å; D443-T446 PolarHBondContact N-OG1 2.66Å; D443-T446 VanDerWaalsContact O-CB 3.31Å; D443-T446 WeakPolarHBondContact O-CB 3.37Å; D443-T446 PolarHBondContact O-N 2.74Å; D443-T446 PolarHBondContact O-OG1 3.09Å; T446-V448 HydrophobicContact CG2-CB 4.44Å; T446-V448 HydrophobicContact CG2-CG2 3.41Å; T446-V448 VanDerWaalsContact CG2-CG2 3.41Å; T446-M588 PolarHBondContact O-N 3.46Å
447	R	93.6	Very high	90.3	Very high	28 Å²	28	36.1 Å²	36.1	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	92.2	175.1	-62.2	-66.4	179.7	-77.8	-0.9	109.2	L444 D445 F584 E585 G586 Q603 E604	L444-R447 PolarHBondContact O-NH1 2.94Å; D445-R447 PolarHBondContact O-N 3.11Å; D445-R447 PolarHBondContact O-NH1 3.21Å; R447-F584 PolarHBondContact NH2-O 3.34Å; R447-E585 VanDerWaalsContact NH2-C 3.32Å; R447-E585 PolarHBondContact NH2-O 3.2Å; R447-G586 PolarHBondContact NH1-O 3.27Å; R447-G586 PolarHBondContact NH2-O 2.88Å; R447-Q603 HydrophobicContact CB-CB 4.11Å; R447-Q603 HydrophobicContact CB-CG 3.9Å; R447-Q603 HydrophobicContact CG-CG 4.31Å; R447-Q603 PolarHBondContact O-N 2.92Å; R447-E604 PolarHBondContact O-N 2.97Å
448	V	94.6	Very high	90.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.1	-172.6	169.5	0	0	0	0	111	T446 M588 M589 L590 E604 W606	T446-V448 HydrophobicContact CG2-CB 4.44Å; T446-V448 HydrophobicContact CG2-CG2 3.41Å; T446-V448 VanDerWaalsContact CG2-CG2 3.41Å; V448-M588 PolarHBondContact N-O 3.24Å; V448-M589 CarbonylContact O-C 3.45Å; V448-M589 WeakPolarHBondContact O-CA 3.4Å; V448-L590 PolarHBondContact O-N 3.15Å; V448-E604 WeakPolarHBondContact CA-O 3.35Å; V448-E604 HydrophobicContact CG2-CB 4.02Å; V448-W606 HydrophobicContact CB-CD2 4.46Å; V448-W606 HydrophobicContact CG1-CB 3.86Å; V448-W606 HydrophobicContact CG1-CD2 3.48Å; V448-W606 VanDerWaalsContact CG1-CD2 3.48Å; V448-W606 HydrophobicContact CG1-CE3 3.9Å; V448-W606 HydrophobicContact CG1-CG 3.46Å; V448-W606 VanDerWaalsContact CG1-CG 3.46Å; V448-W606 HydrophobicContact CG2-CD2 4.13Å; V448-W606 HydrophobicContact CG2-CG 4.49Å; V448-W606 HydrophobicContact CG2-CH2 4.47Å; V448-W606 HydrophobicContact CG2-CZ2 3.82Å
449	A	94.9	Very high	89.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.1	160.6	0	0	0	0	0	110.4	L590 I598 A602 E604 I605 W606	A449-L590 CarbonylContact C-O 3.59Å; A449-L590 VanDerWaalsContact CA-O 3.28Å; A449-L590 WeakPolarHBondContact CA-O 3.45Å; A449-I598 HydrophobicContact CB-CB 4.36Å; A449-I598 HydrophobicContact CB-CG1 4.13Å; A449-I598 HydrophobicContact CB-CG2 3.48Å; A449-I598 VanDerWaalsContact CB-CG2 3.48Å; A449-A602 HydrophobicContact CB-CB 3.52Å; A449-E604 PolarHBondContact N-O 3.4Å; A449-I605 WeakPolarHBondContact O-CA 3.36Å; A449-W606 PolarHBondContact O-N 3.33Å
450	L	93.2	Very high	89.9	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.1	176.5	-174.3	70.5	0	0	0	109.6	K458 L461 L590 V591 W606 C608 I613	L450-K458 HydrophobicContact CD2-CB 3.81Å; L450-K458 HydrophobicContact CD2-CG 4.08Å; L450-K458 HydrophobicContact CG-CB 4.44Å; L450-K458 HydrophobicContact CG-CG 4.2Å; L450-L461 HydrophobicContact CD1-CD2 4.22Å; L450-L461 HydrophobicContact CD2-CB 4.44Å; L450-L461 HydrophobicContact CD2-CD2 3.73Å; L450-L590 PolarHBondContact N-O 3.13Å; L450-V591 HydrophobicContact CB-CG2 4.05Å; L450-V591 HydrophobicContact CD2-CG2 4.04Å; L450-W606 WeakPolarHBondContact CA-O 3.37Å; L450-W606 HydrophobicContact CD1-CB 3.94Å; L450-C608 HydrophobicContact CD1-CB 4.05Å; L450-C608 HydrophobicContact CG-CB 4.49Å; L450-I613 HydrophobicContact CD1-CG2 4.37Å
451	V	91.8	Very high	89.8	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.5	-178.1	-59.6	0	0	0	0	110.8	L283 I598 I605 W606 V607 C608 I620 Y623	L283-V451 HydrophobicContact CD1-CB 3.71Å; L283-V451 HydrophobicContact CD1-CG1 3.51Å; V451-I598 HydrophobicContact CG1-CD1 4.25Å; V451-I605 HydrophobicContact CB-CG2 4.48Å; V451-I605 HydrophobicContact CG1-CG2 4.13Å; V451-I605 HydrophobicContact CG2-CG2 3.51Å; V451-W606 PolarHBondContact N-O 3.03Å; V451-V607 HydrophobicContact CG2-CB 4.36Å; V451-V607 HydrophobicContact CG2-CG2 3.8Å; V451-V607 WeakPolarHBondContact O-CA 3.48Å; V451-C608 PolarHBondContact O-N 3.19Å; V451-I620 HydrophobicContact CG1-CD1 4.28Å; V451-Y623 HydrophobicContact CB-CE1 4.29Å; V451-Y623 HydrophobicContact CG2-CD1 4.43Å; V451-Y623 HydrophobicContact CG2-CE1 3.96Å; V451-Y623 HydrophobicContact CG2-CE2 4.42Å
452	G	87.8	Confident	89.9	Confident	2 Å²	2	24.8 Å²	24.8	2%	0.021	16%	0.161	C	C	.	.			trans	147.3	170.8	177.5	0	0	0	0	0	112	K458	G452-K458 PolarHBondContact O-NZ 3.2Å
453	P	83.3	Confident	89.9	Confident	41 Å²	41	28.2 Å²	28.2	27%	0.266	18%	0.176	S	C	.	.			trans	-65.3	163	-174.2	23.4	-30.4	0	0	0	112.6	D282 G455 A456 K458 E609	D282-P453 VanDerWaalsContact OD2-CA 3.28Å; D282-P453 WeakPolarHBondContact OD2-CA 3.39Å; P453-G455 PolarHBondContact O-N 3.38Å; P453-A456 HydrophobicContact CG-CB 4.11Å; P453-A456 WeakPolarHBondContact O-CB 3.43Å; P453-A456 PolarHBondContact O-N 3.41Å; P453-K458 PolarHBondContact O-NZ 3.28Å; P453-E609 HydrophobicContact CG-CG 4.31Å
454	N	81.9	Confident	89.9	Confident	56 Å²	56	26.2 Å²	26.2	30%	0.299	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	133.9	176.4	-80.4	-10.7	0	0	0	112	R258 D282 A456 K458	R258-N454 PolarHBondContact NH2-ND2 2.88Å; D282-N454 HydrophobicContact CB-CB 4.47Å; D282-N454 PolarHBondContact OD2-N 2.76Å; N454-A456 VanDerWaalsContact C-N 3.34Å; N454-K458 PolarHBondContact OD1-NZ 2.86Å
455	G	78	Confident	90	Very high	80 Å²	80	25 Å²	25	83%	0.825	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	1.3	-172.4	0	0	0	0	0	115.2	P453 G457	P453-G455 PolarHBondContact O-N 3.38Å; G455-G457 PolarHBondContact O-N 3.09Å
456	A	84.7	Confident	90.1	Very high	23 Å²	23	21.9 Å²	21.9	19%	0.19	14%	0.141	C	C	.	.	S	Bend	trans	-66.2	-14.9	178.3	0	0	0	0	0	114.9	P453 N454 C608	P453-A456 HydrophobicContact CG-CB 4.11Å; P453-A456 WeakPolarHBondContact O-CB 3.43Å; P453-A456 PolarHBondContact O-N 3.41Å; N454-A456 VanDerWaalsContact C-N 3.34Å; A456-C608 HydrophobicContact CB-CB 4.41Å; A456-C608 VanDerWaalsContact CB-O 3.26Å; A456-C608 WeakPolarHBondContact CB-O 3.49Å; A456-C608 PolarHBondContact O-SG 3.38Å
457	G	86.6	Confident	90	Very high	7 Å²	7	23.1 Å²	23.1	7%	0.072	16%	0.157	C	C	.	.	S	Bend	trans	111.4	6	179.8	0	0	0	0	0	115.6	Y435 G455 S459 T460 L461	Y435-G457 WeakPolarHBondContact OH-CA 3.33Å; Y435-G457 PolarHBondContact OH-O 2.99Å; G455-G457 PolarHBondContact O-N 3.09Å; G457-S459 PolarHBondContact O-N 3.38Å; G457-T460 CarbonylContact O-C 3.49Å; G457-T460 VanDerWaalsContact O-CA 3.28Å; G457-T460 WeakPolarHBondContact O-CA 3.44Å; G457-T460 WeakPolarHBondContact O-CB 3.27Å; G457-T460 PolarHBondContact O-N 3.19Å; G457-L461 PolarHBondContact O-N 3.07Å
458	K	90.4	Very high	89.9	Confident	15 Å²	15	27 Å²	27	7%	0.065	18%	0.177	C	C	.	.	H	α-helix	trans	-47.9	-56.8	-177.7	-57.4	-173.5	-63.4	-88.9	0	113.8	L450 G452 P453 N454 T460 L461 L462 V591 C608	L450-K458 HydrophobicContact CD2-CB 3.81Å; L450-K458 HydrophobicContact CD2-CG 4.08Å; L450-K458 HydrophobicContact CG-CB 4.44Å; L450-K458 HydrophobicContact CG-CG 4.2Å; G452-K458 PolarHBondContact O-NZ 3.2Å; P453-K458 PolarHBondContact O-NZ 3.28Å; N454-K458 PolarHBondContact OD1-NZ 2.86Å; K458-T460 VanDerWaalsContact C-N 3.27Å; K458-T460 PolarHBondContact O-N 3.32Å; K458-L461 WeakPolarHBondContact O-CB 3.23Å; K458-L461 PolarHBondContact O-N 2.76Å; K458-L462 PolarHBondContact O-N 2.84Å; K458-V591 HydrophobicContact CB-CG1 4.11Å; K458-V591 HydrophobicContact CB-CG2 4.24Å; K458-V591 HydrophobicContact CD-CG1 3.89Å; K458-C608 HydrophobicContact CG-CB 4.27Å
459	S	89.6	Confident	89.8	Confident	46 Å²	46	28.9 Å²	28.9	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-67.2	-27.7	176.2	-48.3	0	0	0	0	112.8	G457 L462 K463 D563	G457-S459 PolarHBondContact O-N 3.38Å; S459-L462 PolarHBondContact O-N 3.01Å; S459-K463 VanDerWaalsContact O-CG 3.26Å; S459-K463 WeakPolarHBondContact O-CG 3.36Å; S459-K463 PolarHBondContact O-N 3.38Å; S459-D563 VanDerWaalsContact CB-OD2 3.27Å; S459-D563 WeakPolarHBondContact CB-OD2 3.42Å; S459-D563 PolarHBondContact OG-OD1 3.34Å; S459-D563 PolarHBondContact OG-OD2 2.83Å
460	T	91.4	Very high	89.7	Confident	11 Å²	11	35.7 Å²	35.7	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-39.9	174	-57.9	0	0	0	0	111.2	F425 Y427 I434 G457 K458 K463 L464 L469	F425-T460 HydrophobicContact CD1-CG2 3.58Å; F425-T460 HydrophobicContact CE1-CG2 3.4Å; F425-T460 VanDerWaalsContact CE1-CG2 3.4Å; F425-T460 HydrophobicContact CZ-CG2 4.32Å; Y427-T460 PolarHBondContact OH-OG1 3.31Å; I434-T460 HydrophobicContact CD1-CG2 4.31Å; G457-T460 CarbonylContact O-C 3.49Å; G457-T460 VanDerWaalsContact O-CA 3.28Å; G457-T460 WeakPolarHBondContact O-CA 3.44Å; G457-T460 WeakPolarHBondContact O-CB 3.27Å; G457-T460 PolarHBondContact O-N 3.19Å; K458-T460 VanDerWaalsContact C-N 3.27Å; K458-T460 PolarHBondContact O-N 3.32Å; T460-K463 WeakPolarHBondContact O-CB 3.34Å; T460-K463 PolarHBondContact O-N 3.27Å; T460-L464 HydrophobicContact CG2-CD1 4.3Å; T460-L464 WeakPolarHBondContact O-CG 3.26Å; T460-L464 PolarHBondContact O-N 3.23Å; T460-L469 HydrophobicContact CG2-CD1 3.88Å
461	L	93.3	Very high	89.8	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-48.8	173.6	-172.8	68.8	0	0	0	111	Y435 L438 F440 L450 G457 K458 K463 L464 L465 M589 I613	Y435-L461 HydrophobicContact CE2-CB 4.18Å; Y435-L461 HydrophobicContact CE2-CD1 4.32Å; L438-L461 HydrophobicContact CD1-CD1 4.11Å; F440-L461 HydrophobicContact CE1-CD1 4.41Å; F440-L461 HydrophobicContact CZ-CD1 3.99Å; L450-L461 HydrophobicContact CD1-CD2 4.22Å; L450-L461 HydrophobicContact CD2-CB 4.44Å; L450-L461 HydrophobicContact CD2-CD2 3.73Å; G457-L461 PolarHBondContact O-N 3.07Å; K458-L461 WeakPolarHBondContact O-CB 3.23Å; K458-L461 PolarHBondContact O-N 2.76Å; L461-K463 VanDerWaalsContact C-N 3.28Å; L461-K463 PolarHBondContact O-N 3.05Å; L461-L464 WeakPolarHBondContact O-CB 3.45Å; L461-L464 PolarHBondContact O-N 3.31Å; L461-L464 VanDerWaalsContact O-N 3.12Å; L461-L465 HydrophobicContact CG-CD1 4.18Å; L461-L465 HydrophobicContact CG-CG 4.48Å; L461-L465 WeakPolarHBondContact O-CG 3.49Å; L461-L465 PolarHBondContact O-N 3.23Å; L461-M589 HydrophobicContact CD2-SD 4.15Å; L461-I613 HydrophobicContact CD1-CD1 3.62Å; L461-I613 HydrophobicContact CD2-CD1 3.38Å; L461-I613 HydrophobicContact CG-CD1 4.07Å
462	L	93.8	Very high	89.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-42.3	177.3	-62.7	-177.3	0	0	0	111.3	K458 S459 L465 M466 F561 D563 M589 V591	K458-L462 PolarHBondContact O-N 2.84Å; S459-L462 PolarHBondContact O-N 3.01Å; L462-L465 PolarHBondContact O-N 2.97Å; L462-M466 WeakPolarHBondContact O-CB 3.11Å; L462-M466 VanDerWaalsContact O-CG 3.26Å; L462-M466 WeakPolarHBondContact O-CG 3.45Å; L462-M466 PolarHBondContact O-N 3.25Å; L462-F561 HydrophobicContact CD2-CB 4.09Å; L462-F561 HydrophobicContact CD2-CD1 4.36Å; L462-F561 HydrophobicContact CD2-CD2 4.1Å; L462-F561 HydrophobicContact CD2-CG 3.95Å; L462-D563 HydrophobicContact CD1-CB 3.81Å; L462-M589 HydrophobicContact CD2-CB 4.31Å; L462-M589 HydrophobicContact CD2-CG 4.05Å; L462-M589 HydrophobicContact CD2-SD 3.53Å; L462-M589 VanDerWaalsContact CD2-SD 3.53Å; L462-V591 HydrophobicContact CD1-CG2 3.9Å; L462-V591 HydrophobicContact CG-CG2 4.46Å
463	K	92.4	Very high	90.1	Very high	73 Å²	73	45.5 Å²	45.5	32%	0.317	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-40.2	175.6	-70.8	178.7	176.8	-176.4	0	113	S459 T460 L461 M466 G467 E468 L469	S459-K463 VanDerWaalsContact O-CG 3.26Å; S459-K463 WeakPolarHBondContact O-CG 3.36Å; S459-K463 PolarHBondContact O-N 3.38Å; T460-K463 WeakPolarHBondContact O-CB 3.34Å; T460-K463 PolarHBondContact O-N 3.27Å; L461-K463 VanDerWaalsContact C-N 3.28Å; L461-K463 PolarHBondContact O-N 3.05Å; K463-M466 PolarHBondContact O-N 3.12Å; K463-G467 PolarHBondContact O-N 3.49Å; K463-G467 VanDerWaalsContact O-N 3.09Å; K463-E468 HydrophobicContact CB-CB 4.3Å; K463-E468 WeakPolarHBondContact CG-OE2 3.3Å; K463-E468 PolarHBondContact O-N 2.85Å; K463-L469 HydrophobicContact CB-CB 4.49Å; K463-L469 HydrophobicContact CB-CD1 3.64Å; K463-L469 HydrophobicContact CB-CG 3.87Å; K463-L469 HydrophobicContact CD-CD1 3.98Å; K463-L469 HydrophobicContact CD-CG 4.46Å; K463-L469 HydrophobicContact CG-CD1 4.46Å; K463-L469 PolarHBondContact O-N 2.91Å
464	L	93.7	Very high	90.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-45.9	174.9	-75.1	167.1	0	0	0	111.2	F425 Y435 T460 L461 M466 G467 L469 I476	F425-L464 HydrophobicContact CB-CD1 3.98Å; F425-L464 HydrophobicContact CD1-CD1 4.35Å; F425-L464 HydrophobicContact CD2-CD1 4.48Å; F425-L464 HydrophobicContact CD2-CD2 3.76Å; F425-L464 HydrophobicContact CE2-CD2 4.18Å; F425-L464 HydrophobicContact CG-CD1 4Å; F425-L464 HydrophobicContact CG-CD2 4.13Å; Y435-L464 HydrophobicContact CD2-CD1 4.12Å; Y435-L464 HydrophobicContact CE2-CD1 4.44Å; T460-L464 HydrophobicContact CG2-CD1 4.3Å; T460-L464 WeakPolarHBondContact O-CG 3.26Å; T460-L464 PolarHBondContact O-N 3.23Å; L461-L464 WeakPolarHBondContact O-CB 3.45Å; L461-L464 PolarHBondContact O-N 3.31Å; L461-L464 VanDerWaalsContact O-N 3.12Å; L464-M466 VanDerWaalsContact C-N 3.33Å; L464-M466 PolarHBondContact O-N 3.23Å; L464-G467 PolarHBondContact O-N 2.98Å; L464-L469 HydrophobicContact CD2-CB 3.72Å; L464-L469 HydrophobicContact CG-CB 4.15Å; L464-I476 HydrophobicContact CB-CD1 3.86Å; L464-I476 WeakPolarHBondContact O-CD1 2.92Å
465	L	93.3	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-37.5	177.3	-62.8	173.8	0	0	0	111.5	I418 V420 F440 I442 L461 L462 G467 K478 F561 M589	I418-L465 HydrophobicContact CG2-CD2 3.91Å; V420-L465 HydrophobicContact CG2-CD2 3.7Å; F440-L465 HydrophobicContact CE2-CD2 4.22Å; F440-L465 HydrophobicContact CZ-CD2 4.36Å; I442-L465 HydrophobicContact CD1-CD1 3.76Å; I442-L465 HydrophobicContact CD1-CD2 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.18Å; L461-L465 HydrophobicContact CG-CG 4.48Å; L461-L465 WeakPolarHBondContact O-CG 3.49Å; L461-L465 PolarHBondContact O-N 3.23Å; L462-L465 PolarHBondContact O-N 2.97Å; L465-G467 PolarHBondContact O-N 2.98Å; L465-K478 VanDerWaalsContact O-CD 3.3Å; L465-K478 WeakPolarHBondContact O-CD 3.46Å; L465-K478 PolarHBondContact O-NZ 3.39Å; L465-K478 VanDerWaalsContact O-NZ 3.13Å; L465-F561 HydrophobicContact CB-CE2 3.63Å; L465-F561 HydrophobicContact CB-CZ 3.97Å; L465-F561 HydrophobicContact CD1-CE2 4.2Å; L465-F561 HydrophobicContact CD1-CZ 3.91Å; L465-M589 HydrophobicContact CD1-CE 3.7Å; L465-M589 HydrophobicContact CD1-SD 3.92Å
466	M	91.4	Very high	92	Very high	48 Å²	48	45 Å²	45	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-21.6	173	-69.7	-55.8	-67	0	0	113.1	L462 K463 L464 E468 K478 I484 R486 F561	L462-M466 WeakPolarHBondContact O-CB 3.11Å; L462-M466 VanDerWaalsContact O-CG 3.26Å; L462-M466 WeakPolarHBondContact O-CG 3.45Å; L462-M466 PolarHBondContact O-N 3.25Å; K463-M466 PolarHBondContact O-N 3.12Å; L464-M466 VanDerWaalsContact C-N 3.33Å; L464-M466 PolarHBondContact O-N 3.23Å; M466-E468 VanDerWaalsContact C-N 3.35Å; M466-E468 HydrophobicContact CB-CG 4.07Å; M466-K478 PolarHBondContact O-NZ 3.08Å; M466-I484 HydrophobicContact CE-CB 4.12Å; M466-I484 HydrophobicContact CE-CG2 4.26Å; M466-I484 HydrophobicContact SD-CB 3.7Å; M466-I484 HydrophobicContact SD-CD1 4.2Å; M466-I484 HydrophobicContact SD-CG2 3.33Å; M466-I484 WeakPolarHBondContact SD-CG2 3.47Å; M466-R486 HydrophobicContact CE-CB 4.45Å; M466-R486 HydrophobicContact SD-CB 4.43Å; M466-F561 HydrophobicContact CG-CD2 4.16Å; M466-F561 HydrophobicContact CG-CE2 4.43Å; M466-F561 HydrophobicContact SD-CD2 3.76Å; M466-F561 HydrophobicContact SD-CE2 3.99Å
467	G	90.8	Very high	92.4	Very high	44 Å²	44	51.7 Å²	51.7	45%	0.454	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	15.7	-173.5	0	0	0	0	0	113.5	K463 L464 L465 L469	K463-G467 PolarHBondContact O-N 3.49Å; K463-G467 VanDerWaalsContact O-N 3.09Å; L464-G467 PolarHBondContact O-N 2.98Å; L465-G467 PolarHBondContact O-N 2.98Å; G467-L469 VanDerWaalsContact C-N 3.29Å
468	E	91.4	Very high	92.8	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.514	30%	0.295	S	S	.	.	S	Bend	trans	-72.2	-29.1	171.1	-67.8	170.6	-152	0	0	111.2	K463 M466 R486	K463-E468 HydrophobicContact CB-CB 4.3Å; K463-E468 WeakPolarHBondContact CG-OE2 3.3Å; K463-E468 PolarHBondContact O-N 2.85Å; M466-E468 VanDerWaalsContact C-N 3.35Å; M466-E468 HydrophobicContact CB-CG 4.07Å; E468-R486 IonicContact OE1-CZ 3.56Å; E468-R486 IonicContact OE1-NH1 3.2Å; E468-R486 PolarHBondContact OE1-NH1 3.13Å; E468-R486 IonicContact OE2-NH1 2.86Å; E468-R486 PolarHBondContact OE2-NH1 3.37Å
469	L	92.6	Very high	93	Very high	40 Å²	40	57.2 Å²	57.2	21%	0.209	30%	0.304	C	S	.	.	S	Bend	trans	-115.8	140.9	173	-64.5	175.4	0	0	0	109.1	F425 Y427 T460 K463 L464 G467	F425-L469 HydrophobicContact CE1-CD1 4.22Å; F425-L469 HydrophobicContact CE2-CB 4.18Å; F425-L469 HydrophobicContact CE2-CD1 4.45Å; F425-L469 HydrophobicContact CZ-CB 4.34Å; F425-L469 HydrophobicContact CZ-CD1 3.81Å; F425-L469 HydrophobicContact CZ-CD2 4.38Å; F425-L469 HydrophobicContact CZ-CG 4.41Å; Y427-L469 HydrophobicContact CE1-CD1 4.23Å; T460-L469 HydrophobicContact CG2-CD1 3.88Å; K463-L469 HydrophobicContact CB-CB 4.49Å; K463-L469 HydrophobicContact CB-CD1 3.64Å; K463-L469 HydrophobicContact CB-CG 3.87Å; K463-L469 HydrophobicContact CD-CD1 3.98Å; K463-L469 HydrophobicContact CD-CG 4.46Å; K463-L469 HydrophobicContact CG-CD1 4.46Å; K463-L469 PolarHBondContact O-N 2.91Å; L464-L469 HydrophobicContact CD2-CB 3.72Å; L464-L469 HydrophobicContact CG-CB 4.15Å; G467-L469 VanDerWaalsContact C-N 3.29Å
470	L	92.4	Very high	93	Very high	143 Å²	143	59.8 Å²	59.8	75%	0.749	32%	0.322	S	S	*	.			trans	-93.1	137	172.9	-66.1	173.2	0	0	0	109.4	F425	F425-L470 WeakPolarHBondContact CD2-O 3.48Å; F425-L470 WeakPolarHBondContact CE2-O 3.42Å
471	P	94.4	Very high	92.9	Very high	33 Å²	33	66 Å²	66	21%	0.214	35%	0.35	C	S	.	.			trans	-63.6	147.2	172.9	30.6	-35.8	0	0	0	110.1	V423	V423-P471 HydrophobicContact CG1-CB 3.76Å; V423-P471 HydrophobicContact CG2-CB 4.3Å
472	T	93	Very high	92.9	Very high	74 Å²	74	67 Å²	67	45%	0.454	36%	0.356	S	S	.	.	S	Bend	trans	-73.5	-36.2	174.5	-49.7	0	0	0	0	110.8	S424 K426	S424-T472 WeakPolarHBondContact O-CB 3.21Å; S424-T472 PolarHBondContact O-N 2.79Å; K426-T472 HydrophobicContact CG-CG2 4.4Å; K426-T472 PolarHBondContact N-OG1 3.44Å
473	D	93.5	Very high	92.8	Very high	105 Å²	105	72.8 Å²	72.8	56%	0.561	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.1	175.3	-172.4	27.2	0	0	0	109.5	V423 S424	V423-D473 CarbonylContact C-O 3.52Å; V423-D473 VanDerWaalsContact CA-O 3.3Å; V423-D473 WeakPolarHBondContact CA-O 3.37Å; S424-D473 PolarHBondContact N-O 3.33Å; S424-D473 PolarHBondContact O-N 2.79Å
474	G	93.7	Very high	92.9	Very high	35 Å²	35	70.6 Å²	70.6	36%	0.361	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.8	-169.9	-175.1	0	0	0	0	0	114.5	Q421 N422	Q421-G474 WeakPolarHBondContact O-CA 3.35Å; N422-G474 WeakPolarHBondContact O-CA 3.26Å
475	M	94.3	Very high	92.9	Very high	92 Å²	92	70.4 Å²	70.4	45%	0.453	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.7	-177.2	61.5	173.9	140.5	0	0	113.5	Q421 V423 R477	Q421-M475 HydrophobicContact CB-CG 4.14Å; Q421-M475 PolarHBondContact N-O 2.82Å; Q421-M475 PolarHBondContact O-N 3.09Å; Q421-M475 VanDerWaalsContact OE1-CE 3.25Å; V423-M475 WeakPolarHBondContact CG2-O 3.35Å; M475-R477 HydrophobicContact SD-CG 4.16Å
476	I	95.6	Very high	92.9	Very high	39 Å²	39	71.7 Å²	71.7	20%	0.2	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.5	170.4	-57.2	177.8	0	0	0	107.5	I418 M419 V420 V423 L464 K478	I418-I476 HydrophobicContact CG2-CG2 4.02Å; M419-I476 CarbonylContact O-C 3.57Å; M419-I476 WeakPolarHBondContact O-CA 3.48Å; V420-I476 HydrophobicContact CG1-CG1 4.44Å; V420-I476 HydrophobicContact CG2-CG1 4.33Å; V420-I476 HydrophobicContact CG2-CG2 4.33Å; V423-I476 HydrophobicContact CG2-CD1 4.46Å; V423-I476 HydrophobicContact CG2-CG1 3.74Å; L464-I476 HydrophobicContact CB-CD1 3.86Å; L464-I476 WeakPolarHBondContact O-CD1 2.92Å; I476-K478 HydrophobicContact CG2-CG 4.46Å
477	R	93.8	Very high	92.9	Very high	163 Å²	163	69.7 Å²	69.7	62%	0.615	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.2	177.2	-60.2	-176.8	81	154.6	2.8	109.4	I418 M419 M475	I418-R477 CarbonylContact C-O 3.58Å; I418-R477 WeakPolarHBondContact CA-O 3.11Å; M419-R477 HydrophobicContact CB-CB 4.49Å; M419-R477 PolarHBondContact N-O 3.45Å; M419-R477 PolarHBondContact O-N 2.96Å; M475-R477 HydrophobicContact SD-CG 4.16Å
478	K	94.3	Very high	92.6	Very high	85 Å²	85	69.1 Å²	69.1	37%	0.37	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.6	177.5	-63.3	-173.8	-76.7	-168.3	0	109.6	V417 I418 L465 M466 I476 V482 I484	V417-K478 WeakPolarHBondContact O-CA 3.39Å; I418-K478 HydrophobicContact CG1-CG 4.19Å; I418-K478 HydrophobicContact CG2-CG 4.25Å; L465-K478 VanDerWaalsContact O-CD 3.3Å; L465-K478 WeakPolarHBondContact O-CD 3.46Å; L465-K478 PolarHBondContact O-NZ 3.39Å; L465-K478 VanDerWaalsContact O-NZ 3.13Å; M466-K478 PolarHBondContact O-NZ 3.08Å; I476-K478 HydrophobicContact CG2-CG 4.46Å; K478-V482 HydrophobicContact CB-CG1 4.22Å; K478-I484 HydrophobicContact CD-CD1 4.17Å
479	H	93.8	Very high	91.8	Very high	53 Å²	53	68.6 Å²	68.6	25%	0.245	35%	0.35	C	S	.	.			trans	-61.6	137.4	171	-169.8	-86.8	0	0	0	110.5	I413 V417 H481 V482	I413-H479 HydrophobicContact CG2-CB 3.97Å; V417-H479 PolarHBondContact O-N 3.41Å; H479-H481 VanDerWaalsContact C-N 3.26Å; H479-H481 AromaticContact CE1-CD2 3.89Å; H479-H481 PolarHBondContact ND1-N 3.2Å; H479-H481 PolarHBondContact O-N 3.22Å; H479-V482 HydrophobicContact CB-CB 4.45Å; H479-V482 WeakPolarHBondContact O-CG1 3.48Å; H479-V482 PolarHBondContact O-N 3.4Å; H479-V482 VanDerWaalsContact O-N 3.14Å
480	S	90.1	Very high	91.1	Very high	101 Å²	101	71.5 Å²	71.5	71%	0.706	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.7	-171.7	52.8	0	0	0	0	114.3
481	H	89.9	Confident	90.4	Very high	142 Å²	142	65 Å²	65	66%	0.657	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	4.2	-178.1	-61.6	-66.2	0	0	0	114.1	H479 K483 H558	H479-H481 VanDerWaalsContact C-N 3.26Å; H479-H481 AromaticContact CE1-CD2 3.89Å; H479-H481 PolarHBondContact ND1-N 3.2Å; H479-H481 PolarHBondContact O-N 3.22Å; H481-K483 PolarHBondContact O-N 2.97Å; H481-H558 PolarHBondContact O-CE1 3.05Å
482	V	92.6	Very high	89.5	Confident	24 Å²	24	64.7 Å²	64.7	15%	0.145	33%	0.325	C	S	.	.			trans	-67.3	132.1	178.5	76.3	0	0	0	0	110.3	I413 V417 K478 H479 I484 H558 M559	I413-V482 HydrophobicContact CD1-CB 4.05Å; I413-V482 HydrophobicContact CD1-CG2 4.1Å; V417-V482 HydrophobicContact CG1-CB 4.09Å; V417-V482 HydrophobicContact CG1-CG2 3.45Å; V417-V482 VanDerWaalsContact CG1-CG2 3.45Å; K478-V482 HydrophobicContact CB-CG1 4.22Å; H479-V482 HydrophobicContact CB-CB 4.45Å; H479-V482 WeakPolarHBondContact O-CG1 3.48Å; H479-V482 PolarHBondContact O-N 3.4Å; H479-V482 VanDerWaalsContact O-N 3.14Å; V482-I484 HydrophobicContact CG1-CD1 4.33Å; V482-I484 HydrophobicContact CG1-CG1 4.22Å; V482-I484 HydrophobicContact CG2-CG1 4.08Å; V482-H558 HydrophobicContact CG2-CB 4.17Å; V482-M559 HydrophobicContact CG2-CG 4.11Å; V482-M559 HydrophobicContact CG2-SD 4.12Å
483	K	92.8	Very high	88.8	Confident	120 Å²	120	67.7 Å²	67.7	52%	0.522	33%	0.334	S	S	.	.			trans	-108.7	123	169.9	-62.6	179.6	-179.6	178.9	0	107.3	H481 H558 M559	H481-K483 PolarHBondContact O-N 2.97Å; K483-H558 WeakPolarHBondContact CB-ND1 3.17Å; K483-H558 PolarHBondContact N-ND1 3.37Å; K483-H558 WeakPolarHBondContact O-CA 3.34Å; K483-H558 PolarHBondContact O-N 3.48Å; K483-M559 PolarHBondContact O-N 3.43Å; K483-M559 VanDerWaalsContact O-N 3.09Å
484	I	93.6	Very high	88.2	Confident	28 Å²	28	68.5 Å²	68.5	14%	0.144	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.1	-179.7	-49.8	174.8	0	0	0	107.5	I418 M466 K478 V482 M559 F561	I418-I484 HydrophobicContact CD1-CD1 3.79Å; M466-I484 HydrophobicContact CE-CB 4.12Å; M466-I484 HydrophobicContact CE-CG2 4.26Å; M466-I484 HydrophobicContact SD-CB 3.7Å; M466-I484 HydrophobicContact SD-CD1 4.2Å; M466-I484 HydrophobicContact SD-CG2 3.33Å; M466-I484 WeakPolarHBondContact SD-CG2 3.47Å; K478-I484 HydrophobicContact CD-CD1 4.17Å; V482-I484 HydrophobicContact CG1-CD1 4.33Å; V482-I484 HydrophobicContact CG1-CG1 4.22Å; V482-I484 HydrophobicContact CG2-CG1 4.08Å; I484-M559 CarbonylContact C-O 3.59Å; I484-M559 WeakPolarHBondContact CA-O 3.39Å; I484-M559 HydrophobicContact CG1-CB 4.26Å; I484-M559 HydrophobicContact CG2-CB 4.14Å; I484-F561 HydrophobicContact CD1-CE2 4.35Å; I484-F561 HydrophobicContact CG2-CD1 4.39Å; I484-F561 HydrophobicContact CG2-CD2 3.57Å; I484-F561 HydrophobicContact CG2-CE1 4.44Å; I484-F561 HydrophobicContact CG2-CE2 3.62Å; I484-F561 HydrophobicContact CG2-CG 3.98Å; I484-F561 HydrophobicContact CG2-CZ 4.08Å
485	G	93.3	Very high	87.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.9	172.1	0	0	0	0	0	109.3	L552 M559 L560 F561	G485-L552 VanDerWaalsContact CA-CD1 3.48Å; G485-M559 PolarHBondContact N-O 3.27Å; G485-L560 WeakPolarHBondContact O-CA 3.41Å; G485-F561 PolarHBondContact O-N 3.37Å
486	R	92.8	Very high	87.4	Confident	26 Å²	26	66.9 Å²	66.9	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.2	179.1	-178.4	-178.9	173.4	-174.9	2.5	111.5	M466 E468 F561	M466-R486 HydrophobicContact CE-CB 4.45Å; M466-R486 HydrophobicContact SD-CB 4.43Å; E468-R486 IonicContact OE1-CZ 3.56Å; E468-R486 IonicContact OE1-NH1 3.2Å; E468-R486 PolarHBondContact OE1-NH1 3.13Å; E468-R486 IonicContact OE2-NH1 2.86Å; E468-R486 PolarHBondContact OE2-NH1 3.37Å; R486-F561 CarbonylContact C-O 3.59Å; R486-F561 VanDerWaalsContact CA-O 3.29Å; R486-F561 WeakPolarHBondContact CA-O 3.42Å; R486-F561 HydrophobicContact CB-CB 4.42Å; R486-F561 HydrophobicContact CG-CB 4.33Å
487	Y	91.5	Very high	87	Confident	7 Å²	7	68.6 Å²	68.6	3%	0.027	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.3	163.5	-170.9	-89.7	0	0	0	109.7	L491 C545 C548 F549 F561 L562 D563 P565	Y487-L491 HydrophobicContact CD2-CD2 3.9Å; Y487-L491 HydrophobicContact CE2-CD2 4.41Å; Y487-C545 PolarHBondContact OH-SG 2.89Å; Y487-C548 HydrophobicContact CD2-CB 4.45Å; Y487-C548 HydrophobicContact CE2-CB 3.98Å; Y487-F549 HydrophobicContact CD1-CZ 4.46Å; Y487-F549 HydrophobicContact CD2-CD1 4.33Å; Y487-F549 AromaticContact CD2-CE1 3.88Å; Y487-F549 HydrophobicContact CD2-CE1 3.88Å; Y487-F549 HydrophobicContact CD2-CE2 4.38Å; Y487-F549 AromaticContact CD2-CZ 3.91Å; Y487-F549 HydrophobicContact CD2-CZ 3.91Å; Y487-F549 HydrophobicContact CE1-CZ 4.32Å; Y487-F549 HydrophobicContact CE2-CD2 4.28Å; Y487-F549 HydrophobicContact CE2-CE1 4.14Å; Y487-F549 AromaticContact CE2-CE2 3.81Å; Y487-F549 HydrophobicContact CE2-CE2 3.81Å; Y487-F549 AromaticContact CE2-CZ 3.73Å; Y487-F549 HydrophobicContact CE2-CZ 3.73Å; Y487-F549 HydrophobicContact CG-CE1 4.23Å; Y487-F549 HydrophobicContact CG-CZ 4.26Å; Y487-F549 AromaticContact CZ-CZ 3.94Å; Y487-F561 PolarHBondContact N-O 2.88Å; Y487-L562 HydrophobicContact CG-CD2 4.5Å; Y487-D563 WeakPolarHBondContact O-CB 3.43Å; Y487-D563 PolarHBondContact O-N 2.66Å; Y487-P565 HydrophobicContact CD1-CB 4.08Å; Y487-P565 HydrophobicContact CE1-CB 4.25Å
488	H	86.3	Confident	86.8	Confident	32 Å²	32	66.4 Å²	66.4	15%	0.148	33%	0.326	C	S	.	.			trans	-149.7	159.2	173.9	66.1	-72.6	0	0	0	109.9	H490 L491 D563	H488-H490 VanDerWaalsContact C-N 3.27Å; H488-H490 PolarHBondContact O-N 2.87Å; H488-H490 VanDerWaalsContact O-N 3.17Å; H488-L491 PolarHBondContact NE2-N 2.84Å; H488-L491 WeakPolarHBondContact O-CB 3.16Å; H488-L491 PolarHBondContact O-N 2.84Å; H488-D563 HydrophobicContact CB-CB 4.27Å
489	Q	73.4	Confident	86.7	Confident	99 Å²	99	64.6 Å²	64.6	46%	0.463	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-54.6	-39.2	-172.7	-169.1	174.1	5	0	0	114	L491 T492	Q489-L491 VanDerWaalsContact C-N 3.27Å; Q489-L491 PolarHBondContact O-N 2.76Å; Q489-T492 PolarHBondContact O-OG1 2.9Å
490	H	77.6	Confident	86.7	Confident	101 Å²	101	62.2 Å²	62.2	47%	0.468	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-80.8	0.8	179.6	-56.2	-65.1	0	0	0	114.4	H488 T492 E493	H488-H490 VanDerWaalsContact C-N 3.27Å; H488-H490 PolarHBondContact O-N 2.87Å; H488-H490 VanDerWaalsContact O-N 3.17Å; H490-T492 PolarHBondContact O-N 3.33Å; H490-E493 IonicContact CE1-OE1 3.35Å; H490-E493 IonicContact CG-OE1 3.94Å; H490-E493 IonicContact ND1-OE1 3.35Å; H490-E493 PolarHBondContact ND1-OE1 2.84Å; H490-E493 IonicContact ND1-OE2 4Å; H490-E493 WeakPolarHBondContact O-CB 3.35Å; H490-E493 PolarHBondContact O-N 3.17Å
491	L	77.9	Confident	86.8	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.037	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.3	-31.8	178.9	-174.2	63.6	0	0	0	111.7	Y487 H488 Q489 E493 Q494 C548 W551	Y487-L491 HydrophobicContact CD2-CD2 3.9Å; Y487-L491 HydrophobicContact CE2-CD2 4.41Å; H488-L491 PolarHBondContact NE2-N 2.84Å; H488-L491 WeakPolarHBondContact O-CB 3.16Å; H488-L491 PolarHBondContact O-N 2.84Å; Q489-L491 VanDerWaalsContact C-N 3.27Å; Q489-L491 PolarHBondContact O-N 2.76Å; L491-E493 VanDerWaalsContact C-N 3.25Å; L491-E493 PolarHBondContact O-N 3.46Å; L491-Q494 WeakPolarHBondContact O-CB 3.35Å; L491-Q494 PolarHBondContact O-N 3.03Å; L491-C548 HydrophobicContact CD2-CB 3.85Å; L491-C548 HydrophobicContact CG-CB 4.33Å; L491-W551 HydrophobicContact CD1-CH2 4.16Å; L491-W551 HydrophobicContact CD1-CZ3 3.81Å; L491-W551 HydrophobicContact CD2-CE3 4.41Å; L491-W551 HydrophobicContact CD2-CZ3 4.12Å; L491-W551 HydrophobicContact CG-CZ3 4.49Å
492	T	75.8	Confident	87	Confident	26 Å²	26	51.3 Å²	51.3	16%	0.16	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-67.1	-26.4	177.6	57.7	0	0	0	0	113	Q489 H490 Q494 L495 K544	Q489-T492 PolarHBondContact O-OG1 2.9Å; H490-T492 PolarHBondContact O-N 3.33Å; T492-Q494 VanDerWaalsContact C-N 3.3Å; T492-L495 WeakPolarHBondContact O-CB 3.41Å; T492-L495 PolarHBondContact O-N 2.86Å; T492-K544 HydrophobicContact CG2-CB 4.08Å
493	E	77.6	Confident	87	Confident	137 Å²	137	55.2 Å²	55.2	64%	0.64	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-75.3	-22.1	176.6	-60.2	172.4	-155.5	0	0	112	H490 L491 L495	H490-E493 IonicContact CE1-OE1 3.35Å; H490-E493 IonicContact CG-OE1 3.94Å; H490-E493 IonicContact ND1-OE1 3.35Å; H490-E493 PolarHBondContact ND1-OE1 2.84Å; H490-E493 IonicContact ND1-OE2 4Å; H490-E493 WeakPolarHBondContact O-CB 3.35Å; H490-E493 PolarHBondContact O-N 3.17Å; L491-E493 VanDerWaalsContact C-N 3.25Å; L491-E493 PolarHBondContact O-N 3.46Å; E493-L495 VanDerWaalsContact C-N 3.27Å
494	Q	80.9	Confident	87.1	Confident	121 Å²	121	50.4 Å²	50.4	57%	0.565	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-80.1	-8.9	176.2	-58.8	-177.9	-2.2	0	0	112.9	L491 T492	L491-Q494 WeakPolarHBondContact O-CB 3.35Å; L491-Q494 PolarHBondContact O-N 3.03Å; T492-Q494 VanDerWaalsContact C-N 3.3Å
495	L	84.7	Confident	87	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.047	24%	0.237	C	C	.	.	S	Bend	trans	-69.3	138.7	177	-64.6	176.3	0	0	0	110.8	T492 E493 L497 Y504 I536 K544 V547	T492-L495 WeakPolarHBondContact O-CB 3.41Å; T492-L495 PolarHBondContact O-N 2.86Å; E493-L495 VanDerWaalsContact C-N 3.27Å; L495-L497 HydrophobicContact CB-CD2 4.37Å; L495-L497 PolarHBondContact O-N 2.88Å; L495-Y504 HydrophobicContact CD2-CD1 4.35Å; L495-Y504 HydrophobicContact CD2-CE1 3.67Å; L495-Y504 HydrophobicContact CD2-CE2 4.42Å; L495-I536 HydrophobicContact CB-CG2 4.19Å; L495-I536 HydrophobicContact CD1-CG2 3.97Å; L495-K544 HydrophobicContact CD1-CB 4.1Å; L495-V547 HydrophobicContact CD2-CG1 4.39Å
496	E	87.7	Confident	87	Confident	84 Å²	84	51.4 Å²	51.4	39%	0.393	25%	0.249	S	C	.	.			trans	-72.9	92.1	172.2	-71.4	-178.9	-145.6	0	0	110	D498 L499 Y504 K507	E496-D498 PolarHBondContact O-N 2.92Å; E496-D498 VanDerWaalsContact O-N 3.11Å; E496-L499 HydrophobicContact CB-CD1 4.03Å; E496-L499 HydrophobicContact CB-CG 4.18Å; E496-L499 PolarHBondContact O-N 3.04Å; E496-L499 VanDerWaalsContact O-N 3.09Å; E496-L499 WeakPolarHBondContact OE2-CD1 3.39Å; E496-Y504 HydrophobicContact CB-CD2 4.17Å; E496-Y504 HydrophobicContact CB-CE2 4.46Å; E496-K507 IonicContact OE1-NZ 3.92Å; E496-K507 PolarHBondContact OE1-NZ 3.43Å; E496-K507 IonicContact OE2-NZ 3.18Å; E496-K507 PolarHBondContact OE2-NZ 3.16Å
497	L	87.5	Confident	87	Confident	75 Å²	75	55.9 Å²	55.9	39%	0.393	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-168.8	-61.8	-176	0	0	0	114.9	L495 I536 R537	L495-L497 HydrophobicContact CB-CD2 4.37Å; L495-L497 PolarHBondContact O-N 2.88Å; L497-I536 HydrophobicContact CD2-CG2 3.88Å; L497-I536 PolarHBondContact O-N 3.42Å; L497-R537 HydrophobicContact CB-CB 4.02Å; L497-R537 WeakPolarHBondContact O-CB 3.33Å; L497-R537 PolarHBondContact O-N 3.04Å
498	D	89.4	Confident	86.9	Confident	117 Å²	117	57.9 Å²	57.9	63%	0.626	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.3	179.8	-70.4	-45.5	0	0	0	113.6	E496 R537	E496-D498 PolarHBondContact O-N 2.92Å; E496-D498 VanDerWaalsContact O-N 3.11Å; D498-R537 IonicContact OD1-CZ 3.34Å; D498-R537 IonicContact OD1-NH1 3.07Å; D498-R537 PolarHBondContact OD1-NH1 3.27Å
499	L	91.6	Very high	87.1	Confident	47 Å²	47	57 Å²	57	25%	0.246	28%	0.279	C	S	.	.	S	Bend	trans	-82.3	155.4	175.2	-63.3	-176.7	0	0	0	111	E496 E503 K507 P535 I536	E496-L499 HydrophobicContact CB-CD1 4.03Å; E496-L499 HydrophobicContact CB-CG 4.18Å; E496-L499 PolarHBondContact O-N 3.04Å; E496-L499 VanDerWaalsContact O-N 3.09Å; E496-L499 WeakPolarHBondContact OE2-CD1 3.39Å; L499-E503 HydrophobicContact CB-CB 4.42Å; L499-K507 HydrophobicContact CD1-CD 4.05Å; L499-P535 CarbonylContact O-C 3.48Å; L499-P535 WeakPolarHBondContact O-CA 3.43Å; L499-I536 VanDerWaalsContact O-CG1 3.28Å; L499-I536 WeakPolarHBondContact O-CG1 3.49Å; L499-I536 PolarHBondContact O-N 2.94Å
500	S	93.3	Very high	87.9	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.028	29%	0.286	C	S	.	.			trans	-76.8	155.4	165.4	65.3	0	0	0	0	111.5	L502 E503 Y504 Q532 S534	S500-L502 PolarHBondContact O-N 3.43Å; S500-E503 WeakPolarHBondContact CB-OE2 3.48Å; S500-E503 PolarHBondContact N-OE2 3.18Å; S500-E503 PolarHBondContact O-N 3.38Å; S500-E503 VanDerWaalsContact O-N 3.11Å; S500-E503 WeakPolarHBondContact OG-CB 3.48Å; S500-E503 WeakPolarHBondContact OG-CG 3.47Å; S500-E503 PolarHBondContact OG-N 2.98Å; S500-E503 PolarHBondContact OG-OE2 3.44Å; S500-Y504 WeakPolarHBondContact O-CB 3.36Å; S500-Y504 PolarHBondContact O-N 2.88Å; S500-Q532 WeakPolarHBondContact CB-O 3.5Å; S500-S534 WeakPolarHBondContact CA-O 3.27Å; S500-S534 WeakPolarHBondContact CB-O 3.46Å
501	P	93.4	Very high	88.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-52.5	-38.3	175.5	-28.8	34.5	0	0	0	113.6	M505 Q532 S534 I536 L539 V547	P501-M505 WeakPolarHBondContact O-CB 3.26Å; P501-M505 VanDerWaalsContact O-CG 3.28Å; P501-M505 WeakPolarHBondContact O-CG 3.21Å; P501-M505 PolarHBondContact O-N 2.74Å; P501-Q532 WeakPolarHBondContact CD-O 3.26Å; P501-S534 WeakPolarHBondContact CD-O 3.2Å; P501-I536 HydrophobicContact CG-CG1 3.9Å; P501-L539 HydrophobicContact CG-CD1 3.56Å; P501-V547 HydrophobicContact CB-CG1 4.4Å; P501-V547 HydrophobicContact CB-CG2 3.89Å; P501-V547 HydrophobicContact CG-CG2 3.89Å
502	L	93.6	Very high	88.8	Confident	13 Å²	13	59.5 Å²	59.5	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-48.1	178.2	-177.1	63.9	0	0	0	111.4	S500 M506 M518 R519 I522 Q532	S500-L502 PolarHBondContact O-N 3.43Å; L502-M506 HydrophobicContact CG-SD 4.4Å; L502-M506 WeakPolarHBondContact O-CB 3.28Å; L502-M506 VanDerWaalsContact O-CG 3.24Å; L502-M506 WeakPolarHBondContact O-CG 3.23Å; L502-M506 PolarHBondContact O-N 3.24Å; L502-M518 HydrophobicContact CD1-CB 3.82Å; L502-M518 HydrophobicContact CD1-CG 3.69Å; L502-R519 HydrophobicContact CD1-CG 3.74Å; L502-R519 HydrophobicContact CD2-CG 3.95Å; L502-I522 HydrophobicContact CB-CD1 4.28Å; L502-I522 HydrophobicContact CD1-CD1 4Å; L502-Q532 VanDerWaalsContact CB-O 3.24Å; L502-Q532 WeakPolarHBondContact CB-O 3.33Å; L502-Q532 PolarHBondContact N-O 2.96Å; L502-Q532 VanDerWaalsContact N-O 3.14Å
503	E	93.3	Very high	89.3	Confident	107 Å²	107	67 Å²	67	50%	0.5	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-41.4	178.5	-70.6	160.6	160.3	0	0	111.8	L499 S500 M506 K507	L499-E503 HydrophobicContact CB-CB 4.42Å; S500-E503 WeakPolarHBondContact CB-OE2 3.48Å; S500-E503 PolarHBondContact N-OE2 3.18Å; S500-E503 PolarHBondContact O-N 3.38Å; S500-E503 VanDerWaalsContact O-N 3.11Å; S500-E503 WeakPolarHBondContact OG-CB 3.48Å; S500-E503 WeakPolarHBondContact OG-CG 3.47Å; S500-E503 PolarHBondContact OG-N 2.98Å; S500-E503 PolarHBondContact OG-OE2 3.44Å; E503-M506 PolarHBondContact O-N 3.29Å; E503-K507 WeakPolarHBondContact O-CB 3.31Å; E503-K507 PolarHBondContact O-N 3.24Å
504	Y	93.6	Very high	89.9	Confident	19 Å²	19	66.9 Å²	66.9	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-51.1	176.7	177.9	-101.6	0	0	0	111.4	L495 E496 S500 M506 K507 C508 I536 V547 W551	L495-Y504 HydrophobicContact CD2-CD1 4.35Å; L495-Y504 HydrophobicContact CD2-CE1 3.67Å; L495-Y504 HydrophobicContact CD2-CE2 4.42Å; E496-Y504 HydrophobicContact CB-CD2 4.17Å; E496-Y504 HydrophobicContact CB-CE2 4.46Å; S500-Y504 WeakPolarHBondContact O-CB 3.36Å; S500-Y504 PolarHBondContact O-N 2.88Å; Y504-M506 PolarHBondContact O-N 3Å; Y504-K507 WeakPolarHBondContact O-CB 3.37Å; Y504-K507 PolarHBondContact O-N 3.28Å; Y504-C508 PolarHBondContact O-N 3.27Å; Y504-C508 PolarHBondContact O-SG 2.93Å; Y504-C508 VanDerWaalsContact O-SG 3.38Å; Y504-I536 HydrophobicContact CG-CD1 4.11Å; Y504-V547 HydrophobicContact CD1-CG1 4.34Å; Y504-W551 HydrophobicContact CE1-CB 4.45Å; Y504-W551 AromaticContact CE1-CD1 3.82Å; Y504-W551 HydrophobicContact CE1-CG 4.22Å
505	M	92.6	Very high	90.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-40.4	178.6	-72.2	-72	-68.4	0	0	112.4	P501 K507 C508 F509 M518 I522 A550 W551 W554	P501-M505 WeakPolarHBondContact O-CB 3.26Å; P501-M505 VanDerWaalsContact O-CG 3.28Å; P501-M505 WeakPolarHBondContact O-CG 3.21Å; P501-M505 PolarHBondContact O-N 2.74Å; M505-K507 VanDerWaalsContact C-N 3.29Å; M505-K507 PolarHBondContact O-N 3.1Å; M505-C508 PolarHBondContact O-N 2.96Å; M505-F509 HydrophobicContact CE-CD2 3.89Å; M505-F509 HydrophobicContact CE-CE2 3.72Å; M505-F509 WeakPolarHBondContact O-CD2 3.4Å; M505-F509 PolarHBondContact O-N 3.35Å; M505-F509 HydrophobicContact SD-CD2 4.26Å; M505-F509 HydrophobicContact SD-CE2 3.89Å; M505-M518 HydrophobicContact CB-CE 3.99Å; M505-M518 HydrophobicContact CB-CG 3.97Å; M505-M518 HydrophobicContact CB-SD 3.52Å; M505-M518 VanDerWaalsContact CB-SD 3.52Å; M505-M518 HydrophobicContact CE-SD 3.96Å; M505-M518 HydrophobicContact CG-SD 4.32Å; M505-I522 HydrophobicContact CB-CD1 3.98Å; M505-I522 HydrophobicContact CB-CG1 4.49Å; M505-I522 HydrophobicContact CG-CD1 3.81Å; M505-I522 HydrophobicContact CG-CG1 3.99Å; M505-A550 HydrophobicContact CE-CB 4.31Å; M505-W551 HydrophobicContact SD-CB 3.86Å; M505-W554 HydrophobicContact CE-CB 4.23Å
506	M	92.3	Very high	90.5	Very high	49 Å²	49	72.5 Å²	72.5	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-33.6	175.4	-73.6	-174.8	78.1	0	0	112.8	L502 E503 Y504 F509 K515 M518	L502-M506 HydrophobicContact CG-SD 4.4Å; L502-M506 WeakPolarHBondContact O-CB 3.28Å; L502-M506 VanDerWaalsContact O-CG 3.24Å; L502-M506 WeakPolarHBondContact O-CG 3.23Å; L502-M506 PolarHBondContact O-N 3.24Å; E503-M506 PolarHBondContact O-N 3.29Å; Y504-M506 PolarHBondContact O-N 3Å; M506-F509 CarbonylContact O-C 3.51Å; M506-K515 HydrophobicContact CE-CG 3.7Å; M506-K515 HydrophobicContact SD-CD 4.33Å; M506-K515 HydrophobicContact SD-CG 3.7Å; M506-M518 HydrophobicContact CG-CB 4.3Å; M506-M518 HydrophobicContact CG-CG 4.07Å
507	K	92.6	Very high	90.7	Very high	120 Å²	120	72.8 Å²	72.8	52%	0.522	35%	0.354	S	S	.	.	H	α-helix	trans	-68.6	-42.4	174.8	-174.2	-172.6	-177.3	-169.8	0	111.2	E496 L499 E503 Y504 M505	E496-K507 IonicContact OE1-NZ 3.92Å; E496-K507 PolarHBondContact OE1-NZ 3.43Å; E496-K507 IonicContact OE2-NZ 3.18Å; E496-K507 PolarHBondContact OE2-NZ 3.16Å; L499-K507 HydrophobicContact CD1-CD 4.05Å; E503-K507 WeakPolarHBondContact O-CB 3.31Å; E503-K507 PolarHBondContact O-N 3.24Å; Y504-K507 WeakPolarHBondContact O-CB 3.37Å; Y504-K507 PolarHBondContact O-N 3.28Å; M505-K507 VanDerWaalsContact C-N 3.29Å; M505-K507 PolarHBondContact O-N 3.1Å
508	C	90.3	Very high	90.8	Very high	48 Å²	48	69.2 Å²	69.2	32%	0.324	34%	0.336	S	S	.	.	H	α-helix	trans	-71.1	-34.3	178.8	-67.9	0	0	0	0	113.1	Y504 M505 P510	Y504-C508 PolarHBondContact O-N 3.27Å; Y504-C508 PolarHBondContact O-SG 2.93Å; Y504-C508 VanDerWaalsContact O-SG 3.38Å; M505-C508 PolarHBondContact O-N 2.96Å; C508-P510 VanDerWaalsContact C-CD 3.48Å; C508-P510 WeakPolarHBondContact O-CD 3.4Å
509	F	91	Very high	90.9	Very high	14 Å²	14	66.9 Å²	66.9	6%	0.061	32%	0.318	C	S	.	.			trans	-123.1	71.9	-175.5	-55.1	-74	0	0	0	111	M505 M506 E511 I512 M518 W551 W554 Q555	M505-F509 HydrophobicContact CE-CD2 3.89Å; M505-F509 HydrophobicContact CE-CE2 3.72Å; M505-F509 WeakPolarHBondContact O-CD2 3.4Å; M505-F509 PolarHBondContact O-N 3.35Å; M505-F509 HydrophobicContact SD-CD2 4.26Å; M505-F509 HydrophobicContact SD-CE2 3.89Å; M506-F509 CarbonylContact O-C 3.51Å; F509-E511 PolarHBondContact O-N 3.46Å; F509-E511 VanDerWaalsContact O-N 3.09Å; F509-I512 PolarHBondContact O-N 2.99Å; F509-I512 VanDerWaalsContact O-N 3.17Å; F509-M518 HydrophobicContact CB-CE 4.14Å; F509-W551 AromaticContact CE2-CD1 3.86Å; F509-W551 WeakPolarHBondContact CZ-O 3.41Å; F509-W554 AromaticContact CD1-CD1 3.96Å; F509-W554 HydrophobicContact CD2-CB 4.39Å; F509-W554 HydrophobicContact CE1-CB 4.12Å; F509-W554 VanDerWaalsContact CE1-O 3.27Å; F509-W554 WeakPolarHBondContact CE1-O 3.25Å; F509-W554 HydrophobicContact CE2-CB 3.92Å; F509-W554 AromaticContact CG-CD1 3.93Å; F509-W554 HydrophobicContact CZ-CB 3.77Å; F509-Q555 HydrophobicContact CE1-CG 4.29Å; F509-Q555 HydrophobicContact CZ-CG 4.09Å
510	P	88.6	Confident	90.8	Very high	96 Å²	96	71.7 Å²	71.7	62%	0.623	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.1	-176.5	28.7	-36.3	0	0	0	113.8	C508 I512	C508-P510 VanDerWaalsContact C-CD 3.48Å; C508-P510 WeakPolarHBondContact O-CD 3.4Å; P510-I512 VanDerWaalsContact C-N 3.29Å
511	E	88.6	Confident	90.6	Very high	150 Å²	150	72.3 Å²	72.3	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29	173.2	53.4	-156.8	153.4	0	0	113.1	F509 K513	F509-E511 PolarHBondContact O-N 3.46Å; F509-E511 VanDerWaalsContact O-N 3.09Å; E511-K513 PolarHBondContact O-N 3.47Å
512	I	87.6	Confident	90.5	Very high	14 Å²	14	72.4 Å²	72.4	7%	0.072	34%	0.34	C	S	.	.			trans	-87.2	100	172.7	-62.6	169.4	0	0	0	109.1	F509 P510 E517 M518 I521 W554	F509-I512 PolarHBondContact O-N 2.99Å; F509-I512 VanDerWaalsContact O-N 3.17Å; P510-I512 VanDerWaalsContact C-N 3.29Å; I512-E517 HydrophobicContact CG2-CB 4.09Å; I512-E517 HydrophobicContact CG2-CG 4.22Å; I512-M518 HydrophobicContact CB-CE 3.95Å; I512-M518 HydrophobicContact CD1-CE 3.58Å; I512-M518 HydrophobicContact CD1-SD 4.5Å; I512-M518 HydrophobicContact CG1-CE 4.33Å; I512-M518 HydrophobicContact CG2-CB 4.28Å; I512-M518 HydrophobicContact CG2-CE 4.16Å; I512-I521 HydrophobicContact CD1-CD1 3.55Å; I512-W554 HydrophobicContact CD1-CZ2 4.22Å
513	K	84.9	Confident	90.2	Very high	183 Å²	183	73.3 Å²	73.3	80%	0.796	35%	0.353	S	S	*	.			trans	-81	-29	179.8	-63.8	-177.1	-178.4	177.4	0	112.8	E511 K515	E511-K513 PolarHBondContact O-N 3.47Å; K513-K515 PolarHBondContact O-N 3.36Å
514	E	90.7	Very high	90	Very high	134 Å²	134	73.1 Å²	73.1	63%	0.626	35%	0.348	S	S	*	.			trans	-82.9	117.6	-177.3	-66.6	-162.1	172.1	0	0	111.7	E516 E517 M518	E514-E516 PolarHBondContact O-N 3.47Å; E514-E517 HydrophobicContact CB-CB 4.03Å; E514-E517 PolarHBondContact O-N 3.47Å; E514-M518 PolarHBondContact O-N 3.18Å
515	K	88.7	Confident	89.7	Confident	135 Å²	135	72.4 Å²	72.4	59%	0.587	35%	0.345	S	S	*	.	H	α-helix	trans	-57	-39.1	175	-68.8	-166.9	172.4	-176.6	0	111.9	M506 K513 E517 M518 R519	M506-K515 HydrophobicContact CE-CG 3.7Å; M506-K515 HydrophobicContact SD-CD 4.33Å; M506-K515 HydrophobicContact SD-CG 3.7Å; K513-K515 PolarHBondContact O-N 3.36Å; K515-E517 VanDerWaalsContact C-N 3.33Å; K515-E517 PolarHBondContact O-N 2.84Å; K515-M518 PolarHBondContact O-N 3.35Å; K515-R519 VanDerWaalsContact O-CG 3.28Å; K515-R519 WeakPolarHBondContact O-CG 3.33Å; K515-R519 PolarHBondContact O-N 3.28Å
516	E	89.8	Confident	89.4	Confident	114 Å²	114	73.2 Å²	73.2	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-68	-34.4	-176	-164.1	60.4	-161.2	0	0	112.3	E514 R519 K520	E514-E516 PolarHBondContact O-N 3.47Å; E516-R519 PolarHBondContact O-N 2.89Å; E516-K520 WeakPolarHBondContact O-CG 3.43Å; E516-K520 PolarHBondContact O-N 2.89Å; E516-K520 VanDerWaalsContact O-N 3.09Å
517	E	90.4	Very high	89.1	Confident	90 Å²	90	71 Å²	71	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-47.4	172.8	-172.9	176.6	-168.5	0	0	111	I512 E514 K515 R519 K520 I521	I512-E517 HydrophobicContact CG2-CB 4.09Å; I512-E517 HydrophobicContact CG2-CG 4.22Å; E514-E517 HydrophobicContact CB-CB 4.03Å; E514-E517 PolarHBondContact O-N 3.47Å; K515-E517 VanDerWaalsContact C-N 3.33Å; K515-E517 PolarHBondContact O-N 2.84Å; E517-R519 VanDerWaalsContact C-N 3.3Å; E517-R519 PolarHBondContact O-N 2.92Å; E517-K520 WeakPolarHBondContact O-CB 3.35Å; E517-K520 PolarHBondContact O-N 3.2Å; E517-K520 VanDerWaalsContact O-N 3.1Å; E517-I521 HydrophobicContact CG-CD1 4.37Å; E517-I521 WeakPolarHBondContact O-CG1 3.3Å; E517-I521 PolarHBondContact O-N 2.87Å
518	M	91.2	Very high	88.7	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-37.4	176.2	-169.6	59.6	77.1	0	0	112.4	L502 M505 M506 F509 I512 E514 K515 K520 I521 I522	L502-M518 HydrophobicContact CD1-CB 3.82Å; L502-M518 HydrophobicContact CD1-CG 3.69Å; M505-M518 HydrophobicContact CB-CE 3.99Å; M505-M518 HydrophobicContact CB-CG 3.97Å; M505-M518 HydrophobicContact CB-SD 3.52Å; M505-M518 VanDerWaalsContact CB-SD 3.52Å; M505-M518 HydrophobicContact CE-SD 3.96Å; M505-M518 HydrophobicContact CG-SD 4.32Å; M506-M518 HydrophobicContact CG-CB 4.3Å; M506-M518 HydrophobicContact CG-CG 4.07Å; F509-M518 HydrophobicContact CB-CE 4.14Å; I512-M518 HydrophobicContact CB-CE 3.95Å; I512-M518 HydrophobicContact CD1-CE 3.58Å; I512-M518 HydrophobicContact CD1-SD 4.5Å; I512-M518 HydrophobicContact CG1-CE 4.33Å; I512-M518 HydrophobicContact CG2-CB 4.28Å; I512-M518 HydrophobicContact CG2-CE 4.16Å; E514-M518 PolarHBondContact O-N 3.18Å; K515-M518 PolarHBondContact O-N 3.35Å; M518-K520 VanDerWaalsContact C-N 3.3Å; M518-K520 PolarHBondContact O-N 3.42Å; M518-I521 PolarHBondContact O-N 3.29Å; M518-I521 HydrophobicContact SD-CB 4.47Å; M518-I521 HydrophobicContact SD-CD1 4.29Å; M518-I522 HydrophobicContact CG-CD1 3.82Å; M518-I522 HydrophobicContact CG-CG1 4.33Å; M518-I522 VanDerWaalsContact O-CG1 3.3Å; M518-I522 WeakPolarHBondContact O-CG1 3.16Å; M518-I522 PolarHBondContact O-N 2.97Å; M518-I522 HydrophobicContact SD-CD1 4.33Å; M518-I522 HydrophobicContact SD-CG1 4.34Å
519	R	91.7	Very high	88.4	Confident	67 Å²	67	68.4 Å²	68.4	25%	0.253	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-36.8	174.4	-71.5	179.9	83.1	86.2	9.6	112.4	L502 K515 E516 E517 G523 G529 Q532	L502-R519 HydrophobicContact CD1-CG 3.74Å; L502-R519 HydrophobicContact CD2-CG 3.95Å; K515-R519 VanDerWaalsContact O-CG 3.28Å; K515-R519 WeakPolarHBondContact O-CG 3.33Å; K515-R519 PolarHBondContact O-N 3.28Å; E516-R519 PolarHBondContact O-N 2.89Å; E517-R519 VanDerWaalsContact C-N 3.3Å; E517-R519 PolarHBondContact O-N 2.92Å; R519-G523 WeakPolarHBondContact O-CA 3.37Å; R519-G523 PolarHBondContact O-N 3.4Å; R519-G529 PolarHBondContact NH2-O 3.37Å; R519-Q532 PolarHBondContact O-NE2 3.33Å; R519-Q532 VanDerWaalsContact O-NE2 3.1Å
520	K	89.6	Confident	88	Confident	148 Å²	148	75.5 Å²	75.5	64%	0.643	37%	0.373	S	S	*	.	H	α-helix	trans	-67	-44.7	174.7	-70.8	172.4	-174.5	174.4	0	111.3	E516 E517 M518 G523 R524	E516-K520 WeakPolarHBondContact O-CG 3.43Å; E516-K520 PolarHBondContact O-N 2.89Å; E516-K520 VanDerWaalsContact O-N 3.09Å; E517-K520 WeakPolarHBondContact O-CB 3.35Å; E517-K520 PolarHBondContact O-N 3.2Å; E517-K520 VanDerWaalsContact O-N 3.1Å; M518-K520 VanDerWaalsContact C-N 3.3Å; M518-K520 PolarHBondContact O-N 3.42Å; K520-G523 PolarHBondContact O-N 3.22Å; K520-R524 PolarHBondContact O-N 3.35Å
521	I	88.7	Confident	87.9	Confident	17 Å²	17	72.8 Å²	72.8	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-55.6	177.3	-65.5	161.9	0	0	0	109.8	I512 E517 M518 G523 R524 Y525 W554	I512-I521 HydrophobicContact CD1-CD1 3.55Å; E517-I521 HydrophobicContact CG-CD1 4.37Å; E517-I521 WeakPolarHBondContact O-CG1 3.3Å; E517-I521 PolarHBondContact O-N 2.87Å; M518-I521 PolarHBondContact O-N 3.29Å; M518-I521 HydrophobicContact SD-CB 4.47Å; M518-I521 HydrophobicContact SD-CD1 4.29Å; I521-G523 VanDerWaalsContact C-N 3.26Å; I521-G523 PolarHBondContact O-N 3.48Å; I521-R524 WeakPolarHBondContact O-CB 3.28Å; I521-R524 PolarHBondContact O-N 2.83Å; I521-R524 VanDerWaalsContact O-N 3.14Å; I521-Y525 HydrophobicContact CG2-CE2 4.5Å; I521-Y525 VanDerWaalsContact O-CD2 3.27Å; I521-Y525 WeakPolarHBondContact O-CD2 3.49Å; I521-W554 HydrophobicContact CD1-CD2 4.2Å; I521-W554 HydrophobicContact CD1-CH2 3.71Å; I521-W554 HydrophobicContact CD1-CZ2 3.32Å; I521-W554 HydrophobicContact CD1-CZ3 4.3Å; I521-W554 HydrophobicContact CG1-CH2 3.78Å; I521-W554 HydrophobicContact CG1-CZ2 3.96Å; I521-W554 HydrophobicContact CG1-CZ3 4.12Å; I521-W554 HydrophobicContact CG2-CD2 4.13Å; I521-W554 HydrophobicContact CG2-CE3 3.81Å; I521-W554 HydrophobicContact CG2-CH2 4.49Å; I521-W554 HydrophobicContact CG2-CZ3 4.01Å
522	I	90.1	Very high	88	Confident	2 Å²	2	66 Å²	66	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-36.1	-179.7	-61.6	169.5	0	0	0	111.2	L502 M505 M518 R524 Y525 L527 Q532	L502-I522 HydrophobicContact CB-CD1 4.28Å; L502-I522 HydrophobicContact CD1-CD1 4Å; M505-I522 HydrophobicContact CB-CD1 3.98Å; M505-I522 HydrophobicContact CB-CG1 4.49Å; M505-I522 HydrophobicContact CG-CD1 3.81Å; M505-I522 HydrophobicContact CG-CG1 3.99Å; M518-I522 HydrophobicContact CG-CD1 3.82Å; M518-I522 HydrophobicContact CG-CG1 4.33Å; M518-I522 VanDerWaalsContact O-CG1 3.3Å; M518-I522 WeakPolarHBondContact O-CG1 3.16Å; M518-I522 PolarHBondContact O-N 2.97Å; M518-I522 HydrophobicContact SD-CD1 4.33Å; M518-I522 HydrophobicContact SD-CG1 4.34Å; I522-R524 VanDerWaalsContact C-N 3.28Å; I522-R524 PolarHBondContact O-N 3.21Å; I522-Y525 PolarHBondContact O-N 2.96Å; I522-L527 HydrophobicContact CG2-CB 3.77Å; I522-L527 HydrophobicContact CG2-CD1 3.47Å; I522-L527 VanDerWaalsContact CG2-CD1 3.47Å; I522-L527 HydrophobicContact CG2-CG 4.24Å; I522-Q532 HydrophobicContact CB-CG 4.39Å; I522-Q532 HydrophobicContact CG2-CG 3.76Å
523	G	88.8	Confident	88.1	Confident	32 Å²	32	69.2 Å²	69.2	33%	0.33	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-33.4	177.1	0	0	0	0	0	113.5	R519 K520 I521 Y525 G526	R519-G523 WeakPolarHBondContact O-CA 3.37Å; R519-G523 PolarHBondContact O-N 3.4Å; K520-G523 PolarHBondContact O-N 3.22Å; I521-G523 VanDerWaalsContact C-N 3.26Å; I521-G523 PolarHBondContact O-N 3.48Å; G523-Y525 VanDerWaalsContact C-N 3.25Å; G523-Y525 PolarHBondContact O-N 2.85Å; G523-G526 PolarHBondContact O-N 3.01Å
524	R	87.9	Confident	88.2	Confident	104 Å²	104	61.9 Å²	61.9	39%	0.392	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-31.4	177	-175.1	164.1	-170.1	-179.8	2.7	112.6	S404 Y406 K520 I521 I522 G526	S404-R524 WeakPolarHBondContact O-CG 3.46Å; S404-R524 PolarHBondContact O-NE 2.85Å; Y406-R524 VanDerWaalsContact CG-CZ 3.43Å; K520-R524 PolarHBondContact O-N 3.35Å; I521-R524 WeakPolarHBondContact O-CB 3.28Å; I521-R524 PolarHBondContact O-N 2.83Å; I521-R524 VanDerWaalsContact O-N 3.14Å; I522-R524 VanDerWaalsContact C-N 3.28Å; I522-R524 PolarHBondContact O-N 3.21Å; R524-G526 PolarHBondContact O-N 2.97Å
525	Y	88.4	Confident	88.1	Confident	3 Å²	3	57.4 Å²	57.4	1%	0.012	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	8.7	174.9	-67	-90.7	0	0	0	114.1	F405 Y406 I521 I522 G523 R546 F549 A550 A553	F405-Y525 HydrophobicContact CB-CE1 4.32Å; F405-Y525 AromaticContact CD1-CD1 3.69Å; F405-Y525 HydrophobicContact CD1-CD1 3.69Å; F405-Y525 HydrophobicContact CD1-CE1 4.22Å; F405-Y525 HydrophobicContact CD1-CG 4.45Å; F405-Y525 HydrophobicContact CD2-CD1 4.41Å; F405-Y525 HydrophobicContact CD2-CE1 4.48Å; F405-Y525 AromaticContact CE1-CD1 3.83Å; F405-Y525 HydrophobicContact CE1-CD1 3.83Å; F405-Y525 HydrophobicContact CE1-CG 4.49Å; F405-Y525 HydrophobicContact CG-CD1 4Å; F405-Y525 HydrophobicContact CG-CE1 4.1Å; F405-Y525 HydrophobicContact CZ-CD1 4.24Å; Y406-Y525 PolarHBondContact O-OH 2.79Å; I521-Y525 HydrophobicContact CG2-CE2 4.5Å; I521-Y525 VanDerWaalsContact O-CD2 3.27Å; I521-Y525 WeakPolarHBondContact O-CD2 3.49Å; I522-Y525 PolarHBondContact O-N 2.96Å; G523-Y525 VanDerWaalsContact C-N 3.25Å; G523-Y525 PolarHBondContact O-N 2.85Å; Y525-R546 VanDerWaalsContact O-CD 3.26Å; Y525-R546 WeakPolarHBondContact O-CD 3.49Å; Y525-R546 WeakPolarHBondContact O-CG 3.27Å; Y525-F549 HydrophobicContact CD1-CB 3.96Å; Y525-F549 HydrophobicContact CE1-CB 4Å; Y525-A550 HydrophobicContact CD1-CB 4.2Å; Y525-A550 HydrophobicContact CD2-CB 3.43Å; Y525-A550 VanDerWaalsContact CD2-CB 3.43Å; Y525-A550 HydrophobicContact CE1-CB 4.49Å; Y525-A550 HydrophobicContact CE2-CB 3.81Å; Y525-A550 HydrophobicContact CG-CB 3.68Å; Y525-A553 WeakPolarHBondContact OH-CB 3.25Å
526	G	84.8	Confident	88	Confident	18 Å²	18	51 Å²	51	19%	0.186	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	15.7	172.5	0	0	0	0	0	116.1	G523 R524 R546	G523-G526 PolarHBondContact O-N 3.01Å; R524-G526 PolarHBondContact O-N 2.97Å; G526-R546 PolarHBondContact O-NH1 3.35Å
527	L	86	Confident	87.6	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.264	C	S	.	.			trans	-91.3	118.1	174.5	-75.3	145.3	0	0	0	109.8	I522 Q531 Q532 L539 Q543 R546 V547	I522-L527 HydrophobicContact CG2-CB 3.77Å; I522-L527 HydrophobicContact CG2-CD1 3.47Å; I522-L527 VanDerWaalsContact CG2-CD1 3.47Å; I522-L527 HydrophobicContact CG2-CG 4.24Å; L527-Q531 HydrophobicContact CD2-CB 4.03Å; L527-Q532 HydrophobicContact CB-CG 4.18Å; L527-Q532 PolarHBondContact O-NE2 3.49Å; L527-L539 HydrophobicContact CD2-CD1 4.3Å; L527-Q543 HydrophobicContact CD2-CB 4.3Å; L527-R546 HydrophobicContact CD1-CB 4.29Å; L527-V547 HydrophobicContact CD1-CG2 3.58Å; L527-V547 HydrophobicContact CD2-CG2 4.16Å
528	T	84.9	Confident	87.1	Confident	78 Å²	78	51.8 Å²	51.8	48%	0.479	27%	0.269	S	S	.	.			trans	-66.1	155.5	177.7	64.6	0	0	0	0	111.6	K530 Q531 Q532	T528-K530 PolarHBondContact O-N 3.28Å; T528-Q531 WeakPolarHBondContact O-CB 3.39Å; T528-Q531 PolarHBondContact O-N 3.1Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.47Å; T528-Q531 PolarHBondContact OG1-N 3.47Å; T528-Q531 PolarHBondContact OG1-OE1 3.36Å; T528-Q532 WeakPolarHBondContact O-CG 3.03Å; T528-Q532 PolarHBondContact O-N 2.91Å
529	G	83.8	Confident	86.6	Confident	35 Å²	35	52.2 Å²	52.2	36%	0.361	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.9	-178.1	0	0	0	0	0	115.1	R519	R519-G529 PolarHBondContact NH2-O 3.37Å
530	K	83.3	Confident	85.7	Confident	162 Å²	162	50.2 Å²	50.2	70%	0.704	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-42.6	172.3	-68.9	-176.4	179.1	179.6	0	112.2	T528 Q532 V533 S534	T528-K530 PolarHBondContact O-N 3.28Å; K530-Q532 VanDerWaalsContact C-N 3.29Å; K530-Q532 PolarHBondContact O-N 2.91Å; K530-V533 VanDerWaalsContact O-CG2 3.23Å; K530-V533 WeakPolarHBondContact O-CG2 3.38Å; K530-V533 PolarHBondContact O-N 3.33Å; K530-S534 PolarHBondContact O-N 2.9Å; K530-S534 VanDerWaalsContact O-N 3.14Å
531	Q	85.8	Confident	85	Confident	39 Å²	39	45 Å²	45	18%	0.182	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.4	-35	177.2	-72.1	158.5	-24.2	0	0	111.5	L527 T528 V533 S534 L539	L527-Q531 HydrophobicContact CD2-CB 4.03Å; T528-Q531 WeakPolarHBondContact O-CB 3.39Å; T528-Q531 PolarHBondContact O-N 3.1Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.47Å; T528-Q531 PolarHBondContact OG1-N 3.47Å; T528-Q531 PolarHBondContact OG1-OE1 3.36Å; Q531-V533 PolarHBondContact O-N 2.81Å; Q531-S534 PolarHBondContact O-N 3.3Å; Q531-L539 HydrophobicContact CB-CD2 3.96Å; Q531-L539 HydrophobicContact CG-CD2 4.15Å
532	Q	90.5	Very high	84.5	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.037	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60	-28.4	177.6	-69.1	178.6	9.7	0	0	113.9	S500 P501 L502 R519 I522 L527 T528 K530	S500-Q532 WeakPolarHBondContact CB-O 3.5Å; P501-Q532 WeakPolarHBondContact CD-O 3.26Å; L502-Q532 VanDerWaalsContact CB-O 3.24Å; L502-Q532 WeakPolarHBondContact CB-O 3.33Å; L502-Q532 PolarHBondContact N-O 2.96Å; L502-Q532 VanDerWaalsContact N-O 3.14Å; R519-Q532 PolarHBondContact O-NE2 3.33Å; R519-Q532 VanDerWaalsContact O-NE2 3.1Å; I522-Q532 HydrophobicContact CB-CG 4.39Å; I522-Q532 HydrophobicContact CG2-CG 3.76Å; L527-Q532 HydrophobicContact CB-CG 4.18Å; L527-Q532 PolarHBondContact O-NE2 3.49Å; T528-Q532 WeakPolarHBondContact O-CG 3.03Å; T528-Q532 PolarHBondContact O-N 2.91Å; K530-Q532 VanDerWaalsContact C-N 3.29Å; K530-Q532 PolarHBondContact O-N 2.91Å
533	V	90.1	Very high	84.2	Confident	81 Å²	81	46 Å²	46	49%	0.491	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-105.4	-7.8	-179	-59.8	0	0	0	0	112.9	K530 Q531	K530-V533 VanDerWaalsContact O-CG2 3.23Å; K530-V533 WeakPolarHBondContact O-CG2 3.38Å; K530-V533 PolarHBondContact O-N 3.33Å; Q531-V533 PolarHBondContact O-N 2.81Å
534	S	87.7	Confident	84.1	Confident	30 Å²	30	46 Å²	46	21%	0.21	24%	0.244	C	C	.	.	S	Bend	trans	-78	143.1	173.4	176.5	0	0	0	0	109.3	S500 P501 K530 Q531 N538	S500-S534 WeakPolarHBondContact CA-O 3.27Å; S500-S534 WeakPolarHBondContact CB-O 3.46Å; P501-S534 WeakPolarHBondContact CD-O 3.2Å; K530-S534 PolarHBondContact O-N 2.9Å; K530-S534 VanDerWaalsContact O-N 3.14Å; Q531-S534 PolarHBondContact O-N 3.3Å; S534-N538 WeakPolarHBondContact OG-CB 3.21Å; S534-N538 PolarHBondContact OG-ND2 2.86Å
535	P	87.8	Confident	84	Confident	40 Å²	40	41.2 Å²	41.2	26%	0.26	23%	0.226	S	C	.	.			trans	-52.2	140.5	169.9	-28.3	36.5	0	0	0	112.2	L499 R537 N538	L499-P535 CarbonylContact O-C 3.48Å; L499-P535 WeakPolarHBondContact O-CA 3.43Å; P535-R537 HydrophobicContact CB-CG 3.92Å; P535-R537 PolarHBondContact O-N 2.81Å; P535-N538 WeakPolarHBondContact O-CB 3.42Å; P535-N538 PolarHBondContact O-N 3.21Å
536	I	87.3	Confident	84	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.5	-32.8	-177.8	-71.4	167.3	0	0	0	111.3	L495 L497 L499 P501 Y504 N538 L539 K544	L495-I536 HydrophobicContact CB-CG2 4.19Å; L495-I536 HydrophobicContact CD1-CG2 3.97Å; L497-I536 HydrophobicContact CD2-CG2 3.88Å; L497-I536 PolarHBondContact O-N 3.42Å; L499-I536 VanDerWaalsContact O-CG1 3.28Å; L499-I536 WeakPolarHBondContact O-CG1 3.49Å; L499-I536 PolarHBondContact O-N 2.94Å; P501-I536 HydrophobicContact CG-CG1 3.9Å; Y504-I536 HydrophobicContact CG-CD1 4.11Å; I536-N538 PolarHBondContact O-N 3.39Å; I536-N538 VanDerWaalsContact O-N 3.1Å; I536-L539 HydrophobicContact CB-CD1 4.49Å; I536-L539 HydrophobicContact CG1-CD1 4.31Å; I536-L539 WeakPolarHBondContact O-CB 3.41Å; I536-L539 PolarHBondContact O-N 3.15Å; I536-K544 HydrophobicContact CG2-CG 4.21Å
537	R	81.3	Confident	84.3	Confident	124 Å²	124	42 Å²	42	47%	0.468	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.9	-24.7	175.1	67.7	-174.4	-167.4	-167.5	4.1	114.5	L497 D498 P535	L497-R537 HydrophobicContact CB-CB 4.02Å; L497-R537 WeakPolarHBondContact O-CB 3.33Å; L497-R537 PolarHBondContact O-N 3.04Å; D498-R537 IonicContact OD1-CZ 3.34Å; D498-R537 IonicContact OD1-NH1 3.07Å; D498-R537 PolarHBondContact OD1-NH1 3.27Å; P535-R537 HydrophobicContact CB-CG 3.92Å; P535-R537 PolarHBondContact O-N 2.81Å
538	N	80.8	Confident	84.5	Confident	97 Å²	97	41.9 Å²	41.9	52%	0.519	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-90.1	-6.6	179.7	-64	-12.4	0	0	0	112.6	S534 P535 I536	S534-N538 WeakPolarHBondContact OG-CB 3.21Å; S534-N538 PolarHBondContact OG-ND2 2.86Å; P535-N538 WeakPolarHBondContact O-CB 3.42Å; P535-N538 PolarHBondContact O-N 3.21Å; I536-N538 PolarHBondContact O-N 3.39Å; I536-N538 VanDerWaalsContact O-N 3.1Å
539	L	78.9	Confident	84.9	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.047	20%	0.2	C	C	.	.	S	Bend	trans	-79.7	149.8	180	-60.6	-179	0	0	0	110.9	P501 L527 Q531 I536 Q543 K544 V547	P501-L539 HydrophobicContact CG-CD1 3.56Å; L527-L539 HydrophobicContact CD2-CD1 4.3Å; Q531-L539 HydrophobicContact CB-CD2 3.96Å; Q531-L539 HydrophobicContact CG-CD2 4.15Å; I536-L539 HydrophobicContact CB-CD1 4.49Å; I536-L539 HydrophobicContact CG1-CD1 4.31Å; I536-L539 WeakPolarHBondContact O-CB 3.41Å; I536-L539 PolarHBondContact O-N 3.15Å; L539-Q543 HydrophobicContact CB-CB 3.87Å; L539-Q543 HydrophobicContact CD2-CB 4.46Å; L539-K544 HydrophobicContact CB-CG 4.08Å; L539-K544 VanDerWaalsContact O-CE 3.26Å; L539-K544 WeakPolarHBondContact O-CE 3.49Å; L539-V547 HydrophobicContact CD1-CG2 4.07Å
540	S	73.8	Confident	85.2	Confident	25 Å²	25	36.5 Å²	36.5	18%	0.175	18%	0.183	C	C	.	.			trans	-67.9	160.3	169	69.6	0	0	0	0	111.1	G542 Q543 K544	S540-G542 VanDerWaalsContact C-N 3.34Å; S540-G542 PolarHBondContact O-N 2.85Å; S540-Q543 CarbonylContact O-C 3.58Å; S540-Q543 WeakPolarHBondContact O-CA 3.48Å; S540-Q543 WeakPolarHBondContact O-CB 3.5Å; S540-Q543 PolarHBondContact O-N 2.93Å; S540-Q543 WeakPolarHBondContact OG-CB 3.44Å; S540-Q543 WeakPolarHBondContact OG-CG 3.24Å; S540-Q543 PolarHBondContact OG-N 3.4Å; S540-Q543 PolarHBondContact OG-NE2 3.27Å; S540-K544 WeakPolarHBondContact O-CG 3.47Å; S540-K544 PolarHBondContact O-N 3.49Å
541	D	75.5	Confident	85.6	Confident	38 Å²	38	31 Å²	31	20%	0.203	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-40.6	-179.4	-62.4	-30.7	0	0	0	112.1	Q543 K544 C545 H568	D541-Q543 VanDerWaalsContact C-N 3.27Å; D541-Q543 PolarHBondContact O-N 2.97Å; D541-K544 WeakPolarHBondContact O-CB 3.35Å; D541-K544 PolarHBondContact O-N 2.97Å; D541-K544 VanDerWaalsContact O-N 3.08Å; D541-K544 IonicContact OD1-NZ 3.61Å; D541-K544 PolarHBondContact OD1-NZ 3.02Å; D541-C545 PolarHBondContact O-N 3.35Å; D541-C545 PolarHBondContact O-SG 3.19Å; D541-H568 HydrophobicContact CB-CB 4.43Å
542	G	77.8	Confident	86	Confident	10 Å²	10	29.1 Å²	29.1	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-33.7	171.3	0	0	0	0	0	113.6	S540 R546 H568	S540-G542 VanDerWaalsContact C-N 3.34Å; S540-G542 PolarHBondContact O-N 2.85Å; G542-R546 WeakPolarHBondContact O-CG 3.27Å; G542-R546 PolarHBondContact O-N 2.86Å; G542-R546 VanDerWaalsContact O-N 3.1Å; G542-H568 WeakPolarHBondContact CA-O 3.38Å
543	Q	83.6	Confident	86	Confident	29 Å²	29	28.8 Å²	28.8	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-71.5	-39.4	173	-72.8	160.8	12.7	0	0	111.9	L527 L539 S540 D541 C545 R546 V547	L527-Q543 HydrophobicContact CD2-CB 4.3Å; L539-Q543 HydrophobicContact CB-CB 3.87Å; L539-Q543 HydrophobicContact CD2-CB 4.46Å; S540-Q543 CarbonylContact O-C 3.58Å; S540-Q543 WeakPolarHBondContact O-CA 3.48Å; S540-Q543 WeakPolarHBondContact O-CB 3.5Å; S540-Q543 PolarHBondContact O-N 2.93Å; S540-Q543 WeakPolarHBondContact OG-CB 3.44Å; S540-Q543 WeakPolarHBondContact OG-CG 3.24Å; S540-Q543 PolarHBondContact OG-N 3.4Å; S540-Q543 PolarHBondContact OG-NE2 3.27Å; D541-Q543 VanDerWaalsContact C-N 3.27Å; D541-Q543 PolarHBondContact O-N 2.97Å; Q543-C545 VanDerWaalsContact C-N 3.34Å; Q543-R546 WeakPolarHBondContact O-CB 3.32Å; Q543-R546 PolarHBondContact O-N 3.25Å; Q543-V547 WeakPolarHBondContact O-CG2 3.29Å; Q543-V547 PolarHBondContact O-N 3.1Å
544	K	86.1	Confident	86.1	Confident	34 Å²	34	27.8 Å²	27.8	15%	0.148	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-42.4	173.1	-64.6	174.9	-164.2	153.5	0	111	T492 L495 I536 L539 S540 D541 R546 V547 C548	T492-K544 HydrophobicContact CG2-CB 4.08Å; L495-K544 HydrophobicContact CD1-CB 4.1Å; I536-K544 HydrophobicContact CG2-CG 4.21Å; L539-K544 HydrophobicContact CB-CG 4.08Å; L539-K544 VanDerWaalsContact O-CE 3.26Å; L539-K544 WeakPolarHBondContact O-CE 3.49Å; S540-K544 WeakPolarHBondContact O-CG 3.47Å; S540-K544 PolarHBondContact O-N 3.49Å; D541-K544 WeakPolarHBondContact O-CB 3.35Å; D541-K544 PolarHBondContact O-N 2.97Å; D541-K544 VanDerWaalsContact O-N 3.08Å; D541-K544 IonicContact OD1-NZ 3.61Å; D541-K544 PolarHBondContact OD1-NZ 3.02Å; K544-R546 VanDerWaalsContact C-N 3.3Å; K544-R546 PolarHBondContact O-N 2.91Å; K544-V547 WeakPolarHBondContact O-CA 3.45Å; K544-V547 WeakPolarHBondContact O-CB 3.44Å; K544-V547 PolarHBondContact O-N 3.36Å; K544-C548 PolarHBondContact O-N 3.42Å; K544-C548 PolarHBondContact O-SG 3.43Å
545	C	86.7	Confident	86.2	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.02	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-44.3	173.5	-66.5	0	0	0	0	111.2	Y487 D541 Q543 V547 C548 F549 L569	Y487-C545 PolarHBondContact OH-SG 2.89Å; D541-C545 PolarHBondContact O-N 3.35Å; D541-C545 PolarHBondContact O-SG 3.19Å; Q543-C545 VanDerWaalsContact C-N 3.34Å; C545-V547 VanDerWaalsContact C-N 3.32Å; C545-V547 PolarHBondContact O-N 2.78Å; C545-C548 WeakPolarHBondContact O-CB 3.37Å; C545-C548 PolarHBondContact O-N 2.91Å; C545-C548 VanDerWaalsContact O-N 3.11Å; C545-F549 WeakPolarHBondContact O-CD2 3.31Å; C545-F549 PolarHBondContact O-N 3.03Å; C545-L569 HydrophobicContact CB-CD2 3.83Å
546	R	87.9	Confident	86.3	Confident	36 Å²	36	30.4 Å²	30.4	14%	0.136	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-37.7	174.4	-70.6	167.2	-176	-169.8	8.2	112.8	F405 Y525 G526 L527 G542 Q543 K544 F549 A550 D570 T573	F405-R546 HydrophobicContact CZ-CG 4.2Å; Y525-R546 VanDerWaalsContact O-CD 3.26Å; Y525-R546 WeakPolarHBondContact O-CD 3.49Å; Y525-R546 WeakPolarHBondContact O-CG 3.27Å; G526-R546 PolarHBondContact O-NH1 3.35Å; L527-R546 HydrophobicContact CD1-CB 4.29Å; G542-R546 WeakPolarHBondContact O-CG 3.27Å; G542-R546 PolarHBondContact O-N 2.86Å; G542-R546 VanDerWaalsContact O-N 3.1Å; Q543-R546 WeakPolarHBondContact O-CB 3.32Å; Q543-R546 PolarHBondContact O-N 3.25Å; K544-R546 VanDerWaalsContact C-N 3.3Å; K544-R546 PolarHBondContact O-N 2.91Å; R546-F549 PolarHBondContact O-N 3.15Å; R546-A550 WeakPolarHBondContact O-CB 3.38Å; R546-A550 PolarHBondContact O-N 2.89Å; R546-D570 IonicContact NH2-OD2 3.11Å; R546-T573 HydrophobicContact CG-CG2 4.47Å; R546-T573 PolarHBondContact NH2-OG1 3.4Å
547	V	90.5	Very high	86.7	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-43.6	172.3	178.8	0	0	0	0	110.8	L495 P501 Y504 L527 L539 Q543 K544 C545 F549 A550 W551	L495-V547 HydrophobicContact CD2-CG1 4.39Å; P501-V547 HydrophobicContact CB-CG1 4.4Å; P501-V547 HydrophobicContact CB-CG2 3.89Å; P501-V547 HydrophobicContact CG-CG2 3.89Å; Y504-V547 HydrophobicContact CD1-CG1 4.34Å; L527-V547 HydrophobicContact CD1-CG2 3.58Å; L527-V547 HydrophobicContact CD2-CG2 4.16Å; L539-V547 HydrophobicContact CD1-CG2 4.07Å; Q543-V547 WeakPolarHBondContact O-CG2 3.29Å; Q543-V547 PolarHBondContact O-N 3.1Å; K544-V547 WeakPolarHBondContact O-CA 3.45Å; K544-V547 WeakPolarHBondContact O-CB 3.44Å; K544-V547 PolarHBondContact O-N 3.36Å; C545-V547 VanDerWaalsContact C-N 3.32Å; C545-V547 PolarHBondContact O-N 2.78Å; V547-F549 PolarHBondContact O-N 3Å; V547-A550 WeakPolarHBondContact O-CB 3.37Å; V547-A550 PolarHBondContact O-N 3.11Å; V547-W551 WeakPolarHBondContact O-CB 3.38Å; V547-W551 PolarHBondContact O-N 3.39Å
548	C	91.3	Very high	87.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-41.5	176.2	-68.6	0	0	0	0	112.4	Y487 L491 K544 C545 W551 L552	Y487-C548 HydrophobicContact CD2-CB 4.45Å; Y487-C548 HydrophobicContact CE2-CB 3.98Å; L491-C548 HydrophobicContact CD2-CB 3.85Å; L491-C548 HydrophobicContact CG-CB 4.33Å; K544-C548 PolarHBondContact O-N 3.42Å; K544-C548 PolarHBondContact O-SG 3.43Å; C545-C548 WeakPolarHBondContact O-CB 3.37Å; C545-C548 PolarHBondContact O-N 2.91Å; C545-C548 VanDerWaalsContact O-N 3.11Å; C548-W551 PolarHBondContact O-N 3.06Å; C548-L552 VanDerWaalsContact O-CB 3.23Å; C548-L552 WeakPolarHBondContact O-CB 3.46Å; C548-L552 PolarHBondContact O-N 3.01Å
549	F	91.6	Very high	87.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-41	175.1	-77.4	-64.8	0	0	0	112.1	F405 F407 Y487 Y525 C545 R546 V547 W551 L552 A553 L562 P565 L569 L577	F405-F549 HydrophobicContact CE2-CB 4.17Å; F405-F549 AromaticContact CE2-CD2 3.86Å; F405-F549 HydrophobicContact CE2-CD2 3.86Å; F405-F549 HydrophobicContact CE2-CE2 4.45Å; F405-F549 AromaticContact CE2-CG 3.97Å; F405-F549 HydrophobicContact CE2-CG 3.97Å; F405-F549 HydrophobicContact CZ-CD2 4.36Å; F407-F549 HydrophobicContact CZ-CD1 4.49Å; Y487-F549 HydrophobicContact CD1-CZ 4.46Å; Y487-F549 HydrophobicContact CD2-CD1 4.33Å; Y487-F549 AromaticContact CD2-CE1 3.88Å; Y487-F549 HydrophobicContact CD2-CE1 3.88Å; Y487-F549 HydrophobicContact CD2-CE2 4.38Å; Y487-F549 AromaticContact CD2-CZ 3.91Å; Y487-F549 HydrophobicContact CD2-CZ 3.91Å; Y487-F549 HydrophobicContact CE1-CZ 4.32Å; Y487-F549 HydrophobicContact CE2-CD2 4.28Å; Y487-F549 HydrophobicContact CE2-CE1 4.14Å; Y487-F549 AromaticContact CE2-CE2 3.81Å; Y487-F549 HydrophobicContact CE2-CE2 3.81Å; Y487-F549 AromaticContact CE2-CZ 3.73Å; Y487-F549 HydrophobicContact CE2-CZ 3.73Å; Y487-F549 HydrophobicContact CG-CE1 4.23Å; Y487-F549 HydrophobicContact CG-CZ 4.26Å; Y487-F549 AromaticContact CZ-CZ 3.94Å; Y525-F549 HydrophobicContact CD1-CB 3.96Å; Y525-F549 HydrophobicContact CE1-CB 4Å; C545-F549 WeakPolarHBondContact O-CD2 3.31Å; C545-F549 PolarHBondContact O-N 3.03Å; R546-F549 PolarHBondContact O-N 3.15Å; V547-F549 PolarHBondContact O-N 3Å; F549-W551 VanDerWaalsContact C-N 3.33Å; F549-W551 PolarHBondContact O-N 3.04Å; F549-L552 PolarHBondContact O-N 3.44Å; F549-A553 WeakPolarHBondContact O-CB 3.31Å; F549-A553 PolarHBondContact O-N 3.26Å; F549-L562 HydrophobicContact CE1-CD2 4.46Å; F549-P565 HydrophobicContact CZ-CB 3.96Å; F549-L569 HydrophobicContact CE2-CD1 3.92Å; F549-L569 HydrophobicContact CE2-CD2 4.37Å; F549-L569 HydrophobicContact CZ-CD1 4.38Å; F549-L577 HydrophobicContact CD1-CD1 4.18Å; F549-L577 HydrophobicContact CE1-CD1 3.82Å; F549-L577 HydrophobicContact CE1-CD2 4.22Å; F549-L577 HydrophobicContact CZ-CD1 4.28Å; F549-L577 HydrophobicContact CZ-CD2 3.92Å
550	A	91.6	Very high	88.7	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-45.1	174.5	0	0	0	0	0	111.7	M505 Y525 R546 V547 W554	M505-A550 HydrophobicContact CE-CB 4.31Å; Y525-A550 HydrophobicContact CD1-CB 4.2Å; Y525-A550 HydrophobicContact CD2-CB 3.43Å; Y525-A550 VanDerWaalsContact CD2-CB 3.43Å; Y525-A550 HydrophobicContact CE1-CB 4.49Å; Y525-A550 HydrophobicContact CE2-CB 3.81Å; Y525-A550 HydrophobicContact CG-CB 3.68Å; R546-A550 WeakPolarHBondContact O-CB 3.38Å; R546-A550 PolarHBondContact O-N 2.89Å; V547-A550 WeakPolarHBondContact O-CB 3.37Å; V547-A550 PolarHBondContact O-N 3.11Å; A550-W554 PolarHBondContact O-N 3.49Å
551	W	92.2	Very high	89.7	Confident	46 Å²	46	19.5 Å²	19.5	17%	0.174	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-46.3	175.8	173.3	84.4	0	0	0	112.2	L491 Y504 M505 F509 V547 C548 F549 W554 Q555	L491-W551 HydrophobicContact CD1-CH2 4.16Å; L491-W551 HydrophobicContact CD1-CZ3 3.81Å; L491-W551 HydrophobicContact CD2-CE3 4.41Å; L491-W551 HydrophobicContact CD2-CZ3 4.12Å; L491-W551 HydrophobicContact CG-CZ3 4.49Å; Y504-W551 HydrophobicContact CE1-CB 4.45Å; Y504-W551 AromaticContact CE1-CD1 3.82Å; Y504-W551 HydrophobicContact CE1-CG 4.22Å; M505-W551 HydrophobicContact SD-CB 3.86Å; F509-W551 AromaticContact CE2-CD1 3.86Å; F509-W551 WeakPolarHBondContact CZ-O 3.41Å; V547-W551 WeakPolarHBondContact O-CB 3.38Å; V547-W551 PolarHBondContact O-N 3.39Å; C548-W551 PolarHBondContact O-N 3.06Å; F549-W551 VanDerWaalsContact C-N 3.33Å; F549-W551 PolarHBondContact O-N 3.04Å; W551-W554 PolarHBondContact O-N 3.07Å; W551-Q555 WeakPolarHBondContact O-CG 3.43Å; W551-Q555 PolarHBondContact O-N 3.03Å
552	L	92.6	Very high	90.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-45.7	-178.4	-179.2	65.9	0	0	0	111.9	G485 C548 F549 W554 Q555 P557 L560 L562	G485-L552 VanDerWaalsContact CA-CD1 3.48Å; C548-L552 VanDerWaalsContact O-CB 3.23Å; C548-L552 WeakPolarHBondContact O-CB 3.46Å; C548-L552 PolarHBondContact O-N 3.01Å; F549-L552 PolarHBondContact O-N 3.44Å; L552-W554 VanDerWaalsContact C-N 3.32Å; L552-W554 PolarHBondContact O-N 3.27Å; L552-Q555 PolarHBondContact O-N 2.81Å; L552-P557 WeakPolarHBondContact O-CD 3.29Å; L552-L560 HydrophobicContact CD1-CD2 4.47Å; L552-L560 HydrophobicContact CD2-CD2 4.07Å; L552-L560 HydrophobicContact CG-CD2 4.12Å; L552-L562 HydrophobicContact CD2-CD2 4.08Å
553	A	91.8	Very high	91.2	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-40.5	-180	0	0	0	0	0	111.9	F407 P408 Y525 F549 Q555 N556	F407-A553 HydrophobicContact CD1-CB 3.59Å; F407-A553 HydrophobicContact CE1-CB 3.83Å; F407-A553 HydrophobicContact CG-CB 4.44Å; P408-A553 WeakPolarHBondContact CD-O 3.43Å; Y525-A553 WeakPolarHBondContact OH-CB 3.25Å; F549-A553 WeakPolarHBondContact O-CB 3.31Å; F549-A553 PolarHBondContact O-N 3.26Å; A553-Q555 PolarHBondContact O-N 2.81Å; A553-N556 PolarHBondContact O-N 3.37Å; A553-N556 PolarHBondContact O-OD1 3Å
554	W	90.8	Very high	91.3	Very high	61 Å²	61	17.7 Å²	17.7	23%	0.231	8%	0.079	C	C	.	.	H	α-helix	trans	-76.9	-5.6	-176.4	-136.4	-101.7	0	0	0	114.6	P408 M505 F509 I512 I521 A550 W551 L552 N556	P408-W554 HydrophobicContact CG-CE3 3.91Å; P408-W554 HydrophobicContact CG-CZ3 3.85Å; M505-W554 HydrophobicContact CE-CB 4.23Å; F509-W554 AromaticContact CD1-CD1 3.96Å; F509-W554 HydrophobicContact CD2-CB 4.39Å; F509-W554 HydrophobicContact CE1-CB 4.12Å; F509-W554 VanDerWaalsContact CE1-O 3.27Å; F509-W554 WeakPolarHBondContact CE1-O 3.25Å; F509-W554 HydrophobicContact CE2-CB 3.92Å; F509-W554 AromaticContact CG-CD1 3.93Å; F509-W554 HydrophobicContact CZ-CB 3.77Å; I512-W554 HydrophobicContact CD1-CZ2 4.22Å; I521-W554 HydrophobicContact CD1-CD2 4.2Å; I521-W554 HydrophobicContact CD1-CH2 3.71Å; I521-W554 HydrophobicContact CD1-CZ2 3.32Å; I521-W554 HydrophobicContact CD1-CZ3 4.3Å; I521-W554 HydrophobicContact CG1-CH2 3.78Å; I521-W554 HydrophobicContact CG1-CZ2 3.96Å; I521-W554 HydrophobicContact CG1-CZ3 4.12Å; I521-W554 HydrophobicContact CG2-CD2 4.13Å; I521-W554 HydrophobicContact CG2-CE3 3.81Å; I521-W554 HydrophobicContact CG2-CH2 4.49Å; I521-W554 HydrophobicContact CG2-CZ3 4.01Å; A550-W554 PolarHBondContact O-N 3.49Å; W551-W554 PolarHBondContact O-N 3.07Å; L552-W554 VanDerWaalsContact C-N 3.32Å; L552-W554 PolarHBondContact O-N 3.27Å; W554-N556 PolarHBondContact O-N 3.27Å
555	Q	89.9	Confident	91.3	Very high	63 Å²	63	16 Å²	16	29%	0.294	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.5	165.1	-68.4	-179.3	-4.4	0	0	113.1	F509 W551 L552 A553	F509-Q555 HydrophobicContact CE1-CG 4.29Å; F509-Q555 HydrophobicContact CZ-CG 4.09Å; W551-Q555 WeakPolarHBondContact O-CG 3.43Å; W551-Q555 PolarHBondContact O-N 3.03Å; L552-Q555 PolarHBondContact O-N 2.81Å; A553-Q555 PolarHBondContact O-N 2.81Å
556	N	90.9	Very high	91	Very high	62 Å²	62	16.7 Å²	16.7	33%	0.332	8%	0.076	S	C	.	.			trans	48.9	59.3	-173.2	-59.5	-18.5	0	0	0	111.5	P408 A553 W554	P408-N556 WeakPolarHBondContact CB-OD1 3.27Å; P408-N556 WeakPolarHBondContact CG-OD1 3.47Å; A553-N556 PolarHBondContact O-N 3.37Å; A553-N556 PolarHBondContact O-OD1 3Å; W554-N556 PolarHBondContact O-N 3.27Å
557	P	94.3	Very high	90.4	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.019	7%	0.074	C	C	.	.			trans	-70	143.2	-179.3	30.2	-34	0	0	0	110.9	C410 L552 L560 F584	C410-P557 WeakPolarHBondContact CB-O 3.31Å; L552-P557 WeakPolarHBondContact O-CD 3.29Å; P557-L560 HydrophobicContact CB-CD2 4.19Å; P557-L560 HydrophobicContact CG-CD2 3.43Å; P557-L560 VanDerWaalsContact CG-CD2 3.43Å; P557-L560 HydrophobicContact CG-CG 4.18Å; P557-F584 WeakPolarHBondContact O-CE2 3.15Å; P557-F584 VanDerWaalsContact O-CZ 3.32Å; P557-F584 WeakPolarHBondContact O-CZ 3.45Å
558	H	94.6	Very high	89.4	Confident	23 Å²	23	19.6 Å²	19.6	11%	0.106	9%	0.091	C	C	.	.	S	Bend	trans	-82.1	-25.4	170.8	-56.5	92.7	0	0	0	112.1	C410 I413 L444 H481 V482 K483 G586 G587	C410-H558 HydrophobicContact CB-CB 4.36Å; C410-H558 PolarHBondContact O-CD2 3.34Å; C410-H558 PolarHBondContact O-NE2 3.02Å; I413-H558 HydrophobicContact CD1-CB 3.77Å; I413-H558 WeakPolarHBondContact CD1-CD2 3.44Å; L444-H558 HydrophobicContact CD2-CB 4.04Å; L444-H558 WeakPolarHBondContact CD2-O 3.19Å; H481-H558 PolarHBondContact O-CE1 3.05Å; V482-H558 HydrophobicContact CG2-CB 4.17Å; K483-H558 WeakPolarHBondContact CB-ND1 3.17Å; K483-H558 PolarHBondContact N-ND1 3.37Å; K483-H558 WeakPolarHBondContact O-CA 3.34Å; K483-H558 PolarHBondContact O-N 3.48Å; H558-G586 CarbonylContact O-C 3.56Å; H558-G586 VanDerWaalsContact O-CA 3.26Å; H558-G586 WeakPolarHBondContact O-CA 3.43Å; H558-G587 PolarHBondContact O-N 3.32Å
559	M	93.9	Very high	88.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.8	175.3	-64.2	-173.2	74.4	0	0	111.1	V417 I418 I442 L444 V482 K483 I484 G485 F561 G587	V417-M559 HydrophobicContact CB-SD 4.36Å; V417-M559 HydrophobicContact CG1-CG 4.29Å; V417-M559 HydrophobicContact CG1-SD 3.57Å; V417-M559 VanDerWaalsContact CG1-SD 3.57Å; I418-M559 HydrophobicContact CD1-CE 3.88Å; I418-M559 HydrophobicContact CD1-SD 3.48Å; I418-M559 WeakPolarHBondContact CD1-SD 3.27Å; I418-M559 HydrophobicContact CG1-CE 4.38Å; I418-M559 HydrophobicContact CG1-SD 3.77Å; I442-M559 HydrophobicContact CB-CE 3.96Å; I442-M559 HydrophobicContact CG2-CE 3.24Å; L444-M559 HydrophobicContact CD2-CG 4.41Å; V482-M559 HydrophobicContact CG2-CG 4.11Å; V482-M559 HydrophobicContact CG2-SD 4.12Å; K483-M559 PolarHBondContact O-N 3.43Å; K483-M559 VanDerWaalsContact O-N 3.09Å; I484-M559 CarbonylContact C-O 3.59Å; I484-M559 WeakPolarHBondContact CA-O 3.39Å; I484-M559 HydrophobicContact CG1-CB 4.26Å; I484-M559 HydrophobicContact CG2-CB 4.14Å; G485-M559 PolarHBondContact N-O 3.27Å; M559-F561 HydrophobicContact CE-CE1 3.85Å; M559-F561 HydrophobicContact CE-CZ 4.16Å; M559-G587 CarbonylContact C-O 3.6Å; M559-G587 WeakPolarHBondContact CA-O 3.19Å
560	L	94.8	Very high	87.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.2	176.6	-73.1	176.4	0	0	0	110.7	F407 G485 L552 P557 F584 G587 M588 M589	F407-L560 HydrophobicContact CD1-CD1 3.83Å; F407-L560 HydrophobicContact CD1-CD2 4.43Å; F407-L560 HydrophobicContact CD2-CD1 4.32Å; F407-L560 HydrophobicContact CE1-CD1 3.86Å; F407-L560 HydrophobicContact CE1-CD2 4.21Å; F407-L560 HydrophobicContact CE2-CD1 4.35Å; F407-L560 HydrophobicContact CG-CD1 4.08Å; F407-L560 HydrophobicContact CZ-CD1 4.13Å; G485-L560 WeakPolarHBondContact O-CA 3.41Å; L552-L560 HydrophobicContact CD1-CD2 4.47Å; L552-L560 HydrophobicContact CD2-CD2 4.07Å; L552-L560 HydrophobicContact CG-CD2 4.12Å; P557-L560 HydrophobicContact CB-CD2 4.19Å; P557-L560 HydrophobicContact CG-CD2 3.43Å; P557-L560 VanDerWaalsContact CG-CD2 3.43Å; P557-L560 HydrophobicContact CG-CG 4.18Å; L560-F584 HydrophobicContact CB-CE1 4.11Å; L560-F584 HydrophobicContact CD1-CD1 3.57Å; L560-F584 HydrophobicContact CD1-CD2 4.27Å; L560-F584 HydrophobicContact CD1-CE1 3.51Å; L560-F584 HydrophobicContact CD1-CE2 4.24Å; L560-F584 HydrophobicContact CD1-CG 3.95Å; L560-F584 HydrophobicContact CD1-CZ 3.87Å; L560-F584 HydrophobicContact CG-CD1 4.18Å; L560-F584 HydrophobicContact CG-CE1 3.58Å; L560-F584 HydrophobicContact CG-CE2 4.48Å; L560-F584 HydrophobicContact CG-CZ 3.77Å; L560-G587 PolarHBondContact N-O 2.95Å; L560-M588 HydrophobicContact CB-CE 4.49Å; L560-M588 WeakPolarHBondContact O-CA 3.41Å; L560-M589 PolarHBondContact O-N 3.27Å
561	F	95.2	Very high	87.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.8	170.2	-67.6	-12.8	0	0	0	109.1	I418 L462 L465 M466 I484 G485 R486 Y487 M559 M589	I418-F561 HydrophobicContact CD1-CZ 3.99Å; L462-F561 HydrophobicContact CD2-CB 4.09Å; L462-F561 HydrophobicContact CD2-CD1 4.36Å; L462-F561 HydrophobicContact CD2-CD2 4.1Å; L462-F561 HydrophobicContact CD2-CG 3.95Å; L465-F561 HydrophobicContact CB-CE2 3.63Å; L465-F561 HydrophobicContact CB-CZ 3.97Å; L465-F561 HydrophobicContact CD1-CE2 4.2Å; L465-F561 HydrophobicContact CD1-CZ 3.91Å; M466-F561 HydrophobicContact CG-CD2 4.16Å; M466-F561 HydrophobicContact CG-CE2 4.43Å; M466-F561 HydrophobicContact SD-CD2 3.76Å; M466-F561 HydrophobicContact SD-CE2 3.99Å; I484-F561 HydrophobicContact CD1-CE2 4.35Å; I484-F561 HydrophobicContact CG2-CD1 4.39Å; I484-F561 HydrophobicContact CG2-CD2 3.57Å; I484-F561 HydrophobicContact CG2-CE1 4.44Å; I484-F561 HydrophobicContact CG2-CE2 3.62Å; I484-F561 HydrophobicContact CG2-CG 3.98Å; I484-F561 HydrophobicContact CG2-CZ 4.08Å; G485-F561 PolarHBondContact O-N 3.37Å; R486-F561 CarbonylContact C-O 3.59Å; R486-F561 VanDerWaalsContact CA-O 3.29Å; R486-F561 WeakPolarHBondContact CA-O 3.42Å; R486-F561 HydrophobicContact CB-CB 4.42Å; R486-F561 HydrophobicContact CG-CB 4.33Å; Y487-F561 PolarHBondContact N-O 2.88Å; M559-F561 HydrophobicContact CE-CE1 3.85Å; M559-F561 HydrophobicContact CE-CZ 4.16Å; F561-M589 WeakPolarHBondContact CA-O 3.42Å; F561-M589 HydrophobicContact CD1-CB 3.56Å; F561-M589 HydrophobicContact CE1-CB 3.82Å
562	L	93.7	Very high	86.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.6	-176.8	-56.5	-178	0	0	0	109.5	Y487 F549 L552 P565 I581 M588 M589 L590 V591	Y487-L562 HydrophobicContact CG-CD2 4.5Å; F549-L562 HydrophobicContact CE1-CD2 4.46Å; L552-L562 HydrophobicContact CD2-CD2 4.08Å; L562-P565 HydrophobicContact CB-CB 4.22Å; L562-P565 HydrophobicContact CB-CG 3.94Å; L562-P565 HydrophobicContact CD1-CG 4.42Å; L562-I581 HydrophobicContact CD1-CD1 3.81Å; L562-I581 HydrophobicContact CD1-CG1 4.4Å; L562-M588 HydrophobicContact CD1-CE 3.5Å; L562-M588 VanDerWaalsContact CD1-CE 3.5Å; L562-M588 HydrophobicContact CG-CE 4.24Å; L562-M589 PolarHBondContact N-O 3.48Å; L562-L590 HydrophobicContact CB-CD1 3.75Å; L562-L590 HydrophobicContact CD1-CD1 4.31Å; L562-V591 PolarHBondContact O-N 2.81Å
563	D	91.1	Very high	85.9	Confident	16 Å²	16	22.5 Å²	22.5	9%	0.086	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104.4	178.2	-159.5	2.2	0	0	0	110.3	S459 L462 Y487 H488	S459-D563 VanDerWaalsContact CB-OD2 3.27Å; S459-D563 WeakPolarHBondContact CB-OD2 3.42Å; S459-D563 PolarHBondContact OG-OD1 3.34Å; S459-D563 PolarHBondContact OG-OD2 2.83Å; L462-D563 HydrophobicContact CD1-CB 3.81Å; Y487-D563 WeakPolarHBondContact O-CB 3.43Å; Y487-D563 PolarHBondContact O-N 2.66Å; H488-D563 HydrophobicContact CB-CB 4.27Å
564	E	86.4	Confident	85.6	Confident	22 Å²	22	22.7 Å²	22.7	10%	0.103	11%	0.109	C	C	.	.	S	Bend	trans	48.3	60.4	-175	-62	-62.2	155.3	0	0	113.9	T566 N567 V591 S592 H593	E564-T566 VanDerWaalsContact C-N 3.26Å; E564-T566 PolarHBondContact O-N 3.36Å; E564-N567 WeakPolarHBondContact CB-ND2 3.41Å; E564-N567 PolarHBondContact O-N 3.4Å; E564-V591 WeakPolarHBondContact CA-O 3.45Å; E564-V591 PolarHBondContact N-O 2.78Å; E564-S592 WeakPolarHBondContact OE1-CA 3.41Å; E564-S592 WeakPolarHBondContact OE2-CA 3.45Å; E564-H593 IonicContact OE1-CD2 2.71Å; E564-H593 PolarHBondContact OE1-CD2 3.5Å; E564-H593 IonicContact OE1-CE1 2.62Å; E564-H593 PolarHBondContact OE1-CE1 3.43Å; E564-H593 IonicContact OE1-CG 3.71Å; E564-H593 IonicContact OE1-ND1 3.4Å; E564-H593 IonicContact OE1-NE2 2.92Å; E564-H593 PolarHBondContact OE1-NE2 3.1Å; E564-H593 IonicContact OE2-CD2 3.46Å; E564-H593 IonicContact OE2-CG 2.99Å; E564-H593 PolarHBondContact OE2-N 2.7Å
565	P	85.8	Confident	85.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.7	-174.5	31	-37.1	0	0	0	114.2	Y487 F549 L562 N567 L569 L577 L590 V591 L597	Y487-P565 HydrophobicContact CD1-CB 4.08Å; Y487-P565 HydrophobicContact CE1-CB 4.25Å; F549-P565 HydrophobicContact CZ-CB 3.96Å; L562-P565 HydrophobicContact CB-CB 4.22Å; L562-P565 HydrophobicContact CB-CG 3.94Å; L562-P565 HydrophobicContact CD1-CG 4.42Å; P565-N567 VanDerWaalsContact C-N 3.31Å; P565-L569 WeakPolarHBondContact O-CD1 3.42Å; P565-L569 WeakPolarHBondContact O-CG 3.25Å; P565-L577 HydrophobicContact CB-CD2 4.01Å; P565-L577 HydrophobicContact CG-CD2 4.4Å; P565-L590 HydrophobicContact CG-CD1 3.5Å; P565-L590 VanDerWaalsContact CG-CD1 3.5Å; P565-V591 WeakPolarHBondContact CD-O 3.38Å; P565-L597 HydrophobicContact CG-CD2 4.11Å
566	T	80.7	Confident	85.2	Confident	17 Å²	17	18.9 Å²	18.9	10%	0.104	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.6	-176.8	51.7	0	0	0	0	113.3	E564 H568 L569 I574 D594 L597	E564-T566 VanDerWaalsContact C-N 3.26Å; E564-T566 PolarHBondContact O-N 3.36Å; T566-H568 PolarHBondContact O-N 2.86Å; T566-L569 PolarHBondContact O-N 3.37Å; T566-L569 VanDerWaalsContact O-N 3.09Å; T566-I574 HydrophobicContact CG2-CD1 4.07Å; T566-I574 HydrophobicContact CG2-CG1 4.12Å; T566-I574 HydrophobicContact CG2-CG2 4.2Å; T566-D594 HydrophobicContact CG2-CB 3.99Å; T566-L597 HydrophobicContact CG2-CB 4.48Å; T566-L597 HydrophobicContact CG2-CD2 3.42Å; T566-L597 VanDerWaalsContact CG2-CD2 3.42Å
567	N	75.4	Confident	85.2	Confident	17 Å²	17	16 Å²	16	9%	0.091	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	126.7	178.3	-74.3	-22.8	0	0	0	110.7	E564 P565 L569	E564-N567 WeakPolarHBondContact CB-ND2 3.41Å; E564-N567 PolarHBondContact O-N 3.4Å; P565-N567 VanDerWaalsContact C-N 3.31Å; N567-L569 PolarHBondContact O-N 2.83Å
568	H	69.1	Low	85	Confident	80 Å²	80	15.9 Å²	15.9	37%	0.37	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	12.7	-179.5	-43.1	-69.1	0	0	0	115.5	D541 G542 T566	D541-H568 HydrophobicContact CB-CB 4.43Å; G542-H568 WeakPolarHBondContact CA-O 3.38Å; T566-H568 PolarHBondContact O-N 2.86Å
569	L	75.3	Confident	84.9	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.1	C	C	.	.			trans	-94.4	141.4	172.5	-63.5	-170.6	0	0	0	111.6	C545 F549 P565 T566 N567 T573 I574 L577	C545-L569 HydrophobicContact CB-CD2 3.83Å; F549-L569 HydrophobicContact CE2-CD1 3.92Å; F549-L569 HydrophobicContact CE2-CD2 4.37Å; F549-L569 HydrophobicContact CZ-CD1 4.38Å; P565-L569 WeakPolarHBondContact O-CD1 3.42Å; P565-L569 WeakPolarHBondContact O-CG 3.25Å; T566-L569 PolarHBondContact O-N 3.37Å; T566-L569 VanDerWaalsContact O-N 3.09Å; N567-L569 PolarHBondContact O-N 2.83Å; L569-T573 HydrophobicContact CD1-CG2 4.22Å; L569-T573 HydrophobicContact CD2-CG2 3.89Å; L569-T573 HydrophobicContact CG-CG2 4.45Å; L569-I574 HydrophobicContact CB-CD1 4.42Å; L569-I574 HydrophobicContact CB-CG1 3.83Å; L569-I574 HydrophobicContact CD1-CG1 4.43Å; L569-L577 HydrophobicContact CD1-CD2 4.23Å
570	D	75	Confident	84.8	Confident	17 Å²	17	20.4 Å²	20.4	9%	0.091	10%	0.101	C	C	.	.			trans	-70.9	156.4	167.9	-68.3	-61.9	0	0	0	111.2	N115 H305 R546 E572 T573 I574	N115-D570 WeakPolarHBondContact CB-OD1 3.43Å; N115-D570 WeakPolarHBondContact CB-OD2 3.46Å; N115-D570 PolarHBondContact N-OD1 3.47Å; N115-D570 PolarHBondContact ND2-OD1 3.08Å; N115-D570 PolarHBondContact OD1-OD1 3.12Å; H305-D570 IonicContact CE1-OD1 2.91Å; H305-D570 PolarHBondContact CE1-OD1 3.16Å; R546-D570 IonicContact NH2-OD2 3.11Å; D570-E572 VanDerWaalsContact C-N 3.25Å; D570-E572 PolarHBondContact O-N 2.84Å; D570-T573 WeakPolarHBondContact O-CA 3.4Å; D570-T573 WeakPolarHBondContact O-CB 3.49Å; D570-T573 PolarHBondContact O-N 3.41Å; D570-I574 WeakPolarHBondContact O-CG1 2.9Å; D570-I574 PolarHBondContact O-N 3.26Å
571	I	76.3	Confident	84.7	Confident	21 Å²	21	20.4 Å²	20.4	11%	0.108	10%	0.101	C	C	.	.	H	α-helix	trans	-50.1	-46.4	175.6	-66	172.8	0	0	0	111.5	H305 Q307 Y332 T573 I574 D575	H305-I571 VanDerWaalsContact O-CG1 3.31Å; H305-I571 WeakPolarHBondContact O-CG1 3.48Å; Q307-I571 HydrophobicContact CG-CD1 4.35Å; Q307-I571 HydrophobicContact CG-CG2 4.12Å; Y332-I571 HydrophobicContact CE2-CD1 4.04Å; I571-T573 VanDerWaalsContact C-N 3.26Å; I571-T573 PolarHBondContact O-N 3.41Å; I571-I574 PolarHBondContact O-N 2.8Å; I571-D575 PolarHBondContact O-N 3.2Å
572	E	77.7	Confident	84.5	Confident	69 Å²	69	24.9 Å²	24.9	32%	0.322	13%	0.125	S	C	.	.	H	α-helix	trans	-64.1	-30.7	178.4	-62.7	177	177.3	0	0	113.1	L114 D570 A576	L114-E572 WeakPolarHBondContact CD2-OE1 3.32Å; L114-E572 VanDerWaalsContact CD2-OE2 3.31Å; L114-E572 WeakPolarHBondContact CD2-OE2 3.5Å; D570-E572 VanDerWaalsContact C-N 3.25Å; D570-E572 PolarHBondContact O-N 2.84Å; E572-A576 WeakPolarHBondContact O-CB 3.44Å; E572-A576 PolarHBondContact O-N 3.38Å; E572-A576 VanDerWaalsContact O-N 3.13Å
573	T	81.5	Confident	84.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-78	-33.5	177.7	-49	0	0	0	0	111.1	L403 F405 R546 L569 D570 I571 L577	L403-T573 HydrophobicContact CD1-CG2 4.38Å; L403-T573 WeakPolarHBondContact CD1-OG1 3.39Å; F405-T573 HydrophobicContact CE1-CG2 4.13Å; F405-T573 HydrophobicContact CE2-CG2 4Å; F405-T573 HydrophobicContact CZ-CG2 3.4Å; R546-T573 HydrophobicContact CG-CG2 4.47Å; R546-T573 PolarHBondContact NH2-OG1 3.4Å; L569-T573 HydrophobicContact CD1-CG2 4.22Å; L569-T573 HydrophobicContact CD2-CG2 3.89Å; L569-T573 HydrophobicContact CG-CG2 4.45Å; D570-T573 WeakPolarHBondContact O-CA 3.4Å; D570-T573 WeakPolarHBondContact O-CB 3.49Å; D570-T573 PolarHBondContact O-N 3.41Å; I571-T573 VanDerWaalsContact C-N 3.26Å; I571-T573 PolarHBondContact O-N 3.41Å; T573-L577 WeakPolarHBondContact O-CB 3.29Å; T573-L577 PolarHBondContact O-N 3.41Å
574	I	84.6	Confident	84.5	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-43.6	173.1	-63.1	169.8	0	0	0	109.9	T566 L569 D570 I571 L577 A578 L597	T566-I574 HydrophobicContact CG2-CD1 4.07Å; T566-I574 HydrophobicContact CG2-CG1 4.12Å; T566-I574 HydrophobicContact CG2-CG2 4.2Å; L569-I574 HydrophobicContact CB-CD1 4.42Å; L569-I574 HydrophobicContact CB-CG1 3.83Å; L569-I574 HydrophobicContact CD1-CG1 4.43Å; D570-I574 WeakPolarHBondContact O-CG1 2.9Å; D570-I574 PolarHBondContact O-N 3.26Å; I571-I574 PolarHBondContact O-N 2.8Å; I574-L577 WeakPolarHBondContact O-CB 3.39Å; I574-L577 PolarHBondContact O-N 2.87Å; I574-A578 PolarHBondContact O-N 2.92Å; I574-L597 HydrophobicContact CG2-CB 4.36Å; I574-L597 HydrophobicContact CG2-CD1 4.31Å
575	D	85.3	Confident	84.7	Confident	42 Å²	42	36 Å²	36	23%	0.225	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-47.7	176.5	-71.8	-13.6	0	0	0	111.5	I571 L577 A578 E579 R596	I571-D575 PolarHBondContact O-N 3.2Å; D575-L577 VanDerWaalsContact C-N 3.28Å; D575-L577 PolarHBondContact O-N 3.05Å; D575-A578 PolarHBondContact O-N 3.12Å; D575-E579 WeakPolarHBondContact O-CG 3.36Å; D575-E579 PolarHBondContact O-N 3.13Å; D575-R596 IonicContact OD1-CZ 3.39Å; D575-R596 IonicContact OD1-NH1 2.75Å; D575-R596 PolarHBondContact OD1-NH1 2.9Å; D575-R596 IonicContact OD1-NH2 2.64Å; D575-R596 PolarHBondContact OD1-NH2 2.97Å; D575-R596 IonicContact OD2-NH1 3.74Å; D575-R596 IonicContact OD2-NH2 3.14Å; D575-R596 PolarHBondContact OD2-NH2 3.44Å
576	A	88.1	Confident	85	Confident	3 Å²	3	36 Å²	36	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-36.4	175.9	0	0	0	0	0	112.8	L403 F405 E572 A580	L403-A576 HydrophobicContact CB-CB 3.82Å; L403-A576 VanDerWaalsContact O-CB 3.27Å; L403-A576 WeakPolarHBondContact O-CB 3.47Å; F405-A576 HydrophobicContact CD1-CB 4.36Å; F405-A576 HydrophobicContact CG-CB 4.45Å; E572-A576 WeakPolarHBondContact O-CB 3.44Å; E572-A576 PolarHBondContact O-N 3.38Å; E572-A576 VanDerWaalsContact O-N 3.13Å; A576-A580 WeakPolarHBondContact O-CB 3.35Å; A576-A580 PolarHBondContact O-N 2.77Å; A576-A580 VanDerWaalsContact O-N 3.12Å
577	L	90.2	Very high	85.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-44.3	175.2	176.3	63.8	0	0	0	111	F405 F407 F549 P565 L569 T573 I574 D575 A580 I581	F405-L577 HydrophobicContact CD2-CB 3.9Å; F405-L577 HydrophobicContact CD2-CD1 3.92Å; F405-L577 HydrophobicContact CE2-CB 4.13Å; F405-L577 HydrophobicContact CE2-CD1 4.33Å; F407-L577 HydrophobicContact CE2-CD1 4.2Å; F407-L577 HydrophobicContact CZ-CD1 4.25Å; F549-L577 HydrophobicContact CD1-CD1 4.18Å; F549-L577 HydrophobicContact CE1-CD1 3.82Å; F549-L577 HydrophobicContact CE1-CD2 4.22Å; F549-L577 HydrophobicContact CZ-CD1 4.28Å; F549-L577 HydrophobicContact CZ-CD2 3.92Å; P565-L577 HydrophobicContact CB-CD2 4.01Å; P565-L577 HydrophobicContact CG-CD2 4.4Å; L569-L577 HydrophobicContact CD1-CD2 4.23Å; T573-L577 WeakPolarHBondContact O-CB 3.29Å; T573-L577 PolarHBondContact O-N 3.41Å; I574-L577 WeakPolarHBondContact O-CB 3.39Å; I574-L577 PolarHBondContact O-N 2.87Å; D575-L577 VanDerWaalsContact C-N 3.28Å; D575-L577 PolarHBondContact O-N 3.05Å; L577-A580 PolarHBondContact O-N 3.16Å; L577-I581 HydrophobicContact CD1-CD1 3.83Å; L577-I581 HydrophobicContact CD1-CG1 4.12Å; L577-I581 HydrophobicContact CD2-CD1 4.38Å; L577-I581 HydrophobicContact CG-CD1 3.66Å; L577-I581 HydrophobicContact CG-CG1 4.39Å; L577-I581 WeakPolarHBondContact O-CB 3.16Å; L577-I581 WeakPolarHBondContact O-CD1 3.46Å; L577-I581 WeakPolarHBondContact O-CG1 3.29Å; L577-I581 PolarHBondContact O-N 3.25Å
578	A	90.9	Very high	86.5	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-44.3	178.5	0	0	0	0	0	111.9	I574 D575 I581 N582 L597 Q600 V601	I574-A578 PolarHBondContact O-N 2.92Å; D575-A578 PolarHBondContact O-N 3.12Å; A578-I581 PolarHBondContact O-N 2.94Å; A578-N582 PolarHBondContact O-N 3.11Å; A578-N582 PolarHBondContact O-ND2 3.5Å; A578-L597 HydrophobicContact CB-CD1 3.76Å; A578-Q600 HydrophobicContact CB-CB 4.38Å; A578-V601 HydrophobicContact CB-CG1 4Å
579	E	91.3	Very high	87.7	Confident	118 Å²	118	30.6 Å²	30.6	55%	0.551	15%	0.149	S	C	*	.	H	α-helix	trans	-58.8	-48.5	174	-71.8	178	-179.9	0	0	111.5	D575 I581 N582 E583	D575-E579 WeakPolarHBondContact O-CG 3.36Å; D575-E579 PolarHBondContact O-N 3.13Å; E579-I581 VanDerWaalsContact C-N 3.31Å; E579-I581 PolarHBondContact O-N 3.25Å; E579-N582 PolarHBondContact O-N 2.79Å; E579-N582 VanDerWaalsContact O-N 3.14Å; E579-E583 PolarHBondContact O-N 3.21Å
580	A	92	Very high	88.6	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-34.4	-179.8	0	0	0	0	0	113.3	F405 F407 A576 L577 F584	F405-A580 VanDerWaalsContact C-CB 3.44Å; F405-A580 HydrophobicContact CB-CB 3.42Å; F405-A580 VanDerWaalsContact CB-CB 3.42Å; F405-A580 WeakPolarHBondContact O-CB 3.39Å; F407-A580 HydrophobicContact CD2-CB 3.83Å; F407-A580 HydrophobicContact CE2-CB 3.89Å; A576-A580 WeakPolarHBondContact O-CB 3.35Å; A576-A580 PolarHBondContact O-N 2.77Å; A576-A580 VanDerWaalsContact O-N 3.12Å; L577-A580 PolarHBondContact O-N 3.16Å; A580-F584 PolarHBondContact O-N 3.31Å; A580-F584 VanDerWaalsContact O-N 3.11Å
581	I	92.4	Very high	89.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-39.8	174.6	-70.9	163.5	0	0	0	110.9	F407 L562 L577 A578 E579 E583 F584 M588 V601	F407-I581 HydrophobicContact CE2-CG1 4.34Å; L562-I581 HydrophobicContact CD1-CD1 3.81Å; L562-I581 HydrophobicContact CD1-CG1 4.4Å; L577-I581 HydrophobicContact CD1-CD1 3.83Å; L577-I581 HydrophobicContact CD1-CG1 4.12Å; L577-I581 HydrophobicContact CD2-CD1 4.38Å; L577-I581 HydrophobicContact CG-CD1 3.66Å; L577-I581 HydrophobicContact CG-CG1 4.39Å; L577-I581 WeakPolarHBondContact O-CB 3.16Å; L577-I581 WeakPolarHBondContact O-CD1 3.46Å; L577-I581 WeakPolarHBondContact O-CG1 3.29Å; L577-I581 PolarHBondContact O-N 3.25Å; A578-I581 PolarHBondContact O-N 2.94Å; E579-I581 VanDerWaalsContact C-N 3.31Å; E579-I581 PolarHBondContact O-N 3.25Å; I581-E583 VanDerWaalsContact C-N 3.29Å; I581-E583 PolarHBondContact O-N 2.84Å; I581-F584 WeakPolarHBondContact O-CB 3.24Å; I581-F584 PolarHBondContact O-N 3.44Å; I581-F584 VanDerWaalsContact O-N 3.13Å; I581-M588 HydrophobicContact CB-CE 3.93Å; I581-M588 HydrophobicContact CD1-CE 3.62Å; I581-M588 HydrophobicContact CG1-CE 3.48Å; I581-M588 VanDerWaalsContact CG1-CE 3.48Å; I581-M588 HydrophobicContact CG2-CE 3.19Å; I581-M588 HydrophobicContact CG2-SD 3.48Å; I581-M588 WeakPolarHBondContact CG2-SD 3.32Å; I581-V601 HydrophobicContact CB-CB 4.45Å; I581-V601 HydrophobicContact CB-CG1 3.98Å; I581-V601 HydrophobicContact CD1-CG1 4.23Å; I581-V601 HydrophobicContact CG2-CB 3.64Å; I581-V601 HydrophobicContact CG2-CG1 3.72Å; I581-V601 HydrophobicContact CG2-CG2 4.37Å
582	N	92.4	Very high	90	Very high	93 Å²	93	28.9 Å²	28.9	50%	0.497	14%	0.141	S	C	.	.	H	α-helix	trans	-67.7	-31.3	178.3	-76.9	-24.2	0	0	0	112.3	A578 E579 F584 Q600	A578-N582 PolarHBondContact O-N 3.11Å; A578-N582 PolarHBondContact O-ND2 3.5Å; E579-N582 PolarHBondContact O-N 2.79Å; E579-N582 VanDerWaalsContact O-N 3.14Å; N582-F584 VanDerWaalsContact C-N 3.35Å; N582-Q600 PolarHBondContact ND2-O 3.2Å; N582-Q600 VanDerWaalsContact ND2-O 3.11Å; N582-Q600 PolarHBondContact OD1-O 3.38Å; N582-Q600 VanDerWaalsContact OD1-O 3.12Å
583	E	91.8	Very high	90.2	Very high	131 Å²	131	27.1 Å²	27.1	61%	0.612	13%	0.132	S	C	*	.	H	α-helix	trans	-78.3	-16.6	171.5	-67.9	-175.6	172.7	0	0	113.5	E579 I581 E585	E579-E583 PolarHBondContact O-N 3.21Å; I581-E583 VanDerWaalsContact C-N 3.29Å; I581-E583 PolarHBondContact O-N 2.84Å; E583-E585 PolarHBondContact O-N 3.45Å
584	F	92.7	Very high	90.4	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.022	14%	0.135	C	C	.	.			trans	-72.2	125.3	-177.8	177.7	-117.9	0	0	0	111.4	F407 R447 P557 L560 A580 I581 N582 G586	F407-F584 HydrophobicContact CB-CB 4.18Å; F407-F584 HydrophobicContact CB-CD2 3.53Å; F407-F584 HydrophobicContact CB-CE2 4.26Å; F407-F584 HydrophobicContact CB-CG 4.14Å; F407-F584 HydrophobicContact CD2-CB 4.5Å; F407-F584 HydrophobicContact CG-CD2 4.29Å; R447-F584 PolarHBondContact NH2-O 3.34Å; P557-F584 WeakPolarHBondContact O-CE2 3.15Å; P557-F584 VanDerWaalsContact O-CZ 3.32Å; P557-F584 WeakPolarHBondContact O-CZ 3.45Å; L560-F584 HydrophobicContact CB-CE1 4.11Å; L560-F584 HydrophobicContact CD1-CD1 3.57Å; L560-F584 HydrophobicContact CD1-CD2 4.27Å; L560-F584 HydrophobicContact CD1-CE1 3.51Å; L560-F584 HydrophobicContact CD1-CE2 4.24Å; L560-F584 HydrophobicContact CD1-CG 3.95Å; L560-F584 HydrophobicContact CD1-CZ 3.87Å; L560-F584 HydrophobicContact CG-CD1 4.18Å; L560-F584 HydrophobicContact CG-CE1 3.58Å; L560-F584 HydrophobicContact CG-CE2 4.48Å; L560-F584 HydrophobicContact CG-CZ 3.77Å; A580-F584 PolarHBondContact O-N 3.31Å; A580-F584 VanDerWaalsContact O-N 3.11Å; I581-F584 WeakPolarHBondContact O-CB 3.24Å; I581-F584 PolarHBondContact O-N 3.44Å; I581-F584 VanDerWaalsContact O-N 3.13Å; N582-F584 VanDerWaalsContact C-N 3.35Å; F584-G586 WeakPolarHBondContact CD1-O 3.47Å; F584-G586 WeakPolarHBondContact CE1-O 3.45Å; F584-G586 VanDerWaalsContact CZ-CA 3.49Å
585	E	90.6	Very high	90.4	Very high	136 Å²	136	28 Å²	28	64%	0.636	14%	0.136	S	C	*	.			trans	-81.9	-18.5	-176.6	-62.8	-175.6	163.6	0	0	114	R447 E583	R447-E585 VanDerWaalsContact NH2-C 3.32Å; R447-E585 PolarHBondContact NH2-O 3.2Å; E583-E585 PolarHBondContact O-N 3.45Å
586	G	91.8	Very high	90.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-87.5	170.3	-176.2	0	0	0	0	0	114.6	L444 R447 H558 F584	L444-G586 CarbonylContact O-C 3.44Å; R447-G586 PolarHBondContact NH1-O 3.27Å; R447-G586 PolarHBondContact NH2-O 2.88Å; H558-G586 CarbonylContact O-C 3.56Å; H558-G586 VanDerWaalsContact O-CA 3.26Å; H558-G586 WeakPolarHBondContact O-CA 3.43Å; F584-G586 WeakPolarHBondContact CD1-O 3.47Å; F584-G586 WeakPolarHBondContact CE1-O 3.45Å; F584-G586 VanDerWaalsContact CZ-CA 3.49Å
587	G	93.1	Very high	90.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	147.2	-175.6	0	0	0	0	0	112.9	L444 H558 M559 L560	L444-G587 VanDerWaalsContact O-CA 3.25Å; L444-G587 WeakPolarHBondContact O-CA 3.34Å; L444-G587 PolarHBondContact O-N 2.75Å; H558-G587 PolarHBondContact O-N 3.32Å; M559-G587 CarbonylContact C-O 3.6Å; M559-G587 WeakPolarHBondContact CA-O 3.19Å; L560-G587 PolarHBondContact N-O 2.95Å
588	M	94.1	Very high	90.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.3	177.5	166.6	178.1	-82.7	0	0	112.6	T446 V448 L560 L562 I581 L590 V601	T446-M588 PolarHBondContact O-N 3.46Å; V448-M588 PolarHBondContact N-O 3.24Å; L560-M588 HydrophobicContact CB-CE 4.49Å; L560-M588 WeakPolarHBondContact O-CA 3.41Å; L562-M588 HydrophobicContact CD1-CE 3.5Å; L562-M588 VanDerWaalsContact CD1-CE 3.5Å; L562-M588 HydrophobicContact CG-CE 4.24Å; I581-M588 HydrophobicContact CB-CE 3.93Å; I581-M588 HydrophobicContact CD1-CE 3.62Å; I581-M588 HydrophobicContact CG1-CE 3.48Å; I581-M588 VanDerWaalsContact CG1-CE 3.48Å; I581-M588 HydrophobicContact CG2-CE 3.19Å; I581-M588 HydrophobicContact CG2-SD 3.48Å; I581-M588 WeakPolarHBondContact CG2-SD 3.32Å; M588-L590 HydrophobicContact CG-CB 4.4Å; M588-L590 HydrophobicContact SD-CB 4.13Å; M588-V601 HydrophobicContact SD-CG2 4.19Å
589	M	94.8	Very high	90.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.8	157.9	-163.8	173	-68	0	0	110.4	I442 V448 L461 L462 L465 L560 F561 L562 W606	I442-M589 HydrophobicContact CD1-CE 3.42Å; I442-M589 VanDerWaalsContact CD1-CE 3.42Å; I442-M589 HydrophobicContact CG1-CE 4.25Å; V448-M589 CarbonylContact O-C 3.45Å; V448-M589 WeakPolarHBondContact O-CA 3.4Å; L461-M589 HydrophobicContact CD2-SD 4.15Å; L462-M589 HydrophobicContact CD2-CB 4.31Å; L462-M589 HydrophobicContact CD2-CG 4.05Å; L462-M589 HydrophobicContact CD2-SD 3.53Å; L462-M589 VanDerWaalsContact CD2-SD 3.53Å; L465-M589 HydrophobicContact CD1-CE 3.7Å; L465-M589 HydrophobicContact CD1-SD 3.92Å; L560-M589 PolarHBondContact O-N 3.27Å; F561-M589 WeakPolarHBondContact CA-O 3.42Å; F561-M589 HydrophobicContact CD1-CB 3.56Å; F561-M589 HydrophobicContact CE1-CB 3.82Å; L562-M589 PolarHBondContact N-O 3.48Å; M589-W606 HydrophobicContact CE-CZ3 4.1Å
590	L	94.4	Very high	90.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.3	179.8	175.2	65.3	0	0	0	110.2	V448 A449 L450 L562 P565 M588 L597 I598 V601	V448-L590 PolarHBondContact O-N 3.15Å; A449-L590 CarbonylContact C-O 3.59Å; A449-L590 VanDerWaalsContact CA-O 3.28Å; A449-L590 WeakPolarHBondContact CA-O 3.45Å; L450-L590 PolarHBondContact N-O 3.13Å; L562-L590 HydrophobicContact CB-CD1 3.75Å; L562-L590 HydrophobicContact CD1-CD1 4.31Å; P565-L590 HydrophobicContact CG-CD1 3.5Å; P565-L590 VanDerWaalsContact CG-CD1 3.5Å; M588-L590 HydrophobicContact CG-CB 4.4Å; M588-L590 HydrophobicContact SD-CB 4.13Å; L590-L597 HydrophobicContact CD1-CD2 4.27Å; L590-L597 HydrophobicContact CD2-CD2 4.04Å; L590-L597 HydrophobicContact CD2-CG 3.99Å; L590-I598 HydrophobicContact CD2-CG1 4.14Å; L590-V601 HydrophobicContact CD2-CG2 3.55Å
591	V	92.3	Very high	90.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.6	163.2	-179.4	0	0	0	0	106.2	L450 K458 L462 L562 E564 P565	L450-V591 HydrophobicContact CB-CG2 4.05Å; L450-V591 HydrophobicContact CD2-CG2 4.04Å; K458-V591 HydrophobicContact CB-CG1 4.11Å; K458-V591 HydrophobicContact CB-CG2 4.24Å; K458-V591 HydrophobicContact CD-CG1 3.89Å; L462-V591 HydrophobicContact CD1-CG2 3.9Å; L462-V591 HydrophobicContact CG-CG2 4.46Å; L562-V591 PolarHBondContact O-N 2.81Å; E564-V591 WeakPolarHBondContact CA-O 3.45Å; E564-V591 PolarHBondContact N-O 2.78Å; P565-V591 WeakPolarHBondContact CD-O 3.38Å
592	S	87.4	Confident	90.4	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	16%	0.155	C	C	.	.			trans	-150.6	152	177.2	-171.7	0	0	0	0	111.2	E564 D594 I598	E564-S592 WeakPolarHBondContact OE1-CA 3.41Å; E564-S592 WeakPolarHBondContact OE2-CA 3.45Å; S592-D594 PolarHBondContact OG-N 2.98Å; S592-D594 VanDerWaalsContact OG-N 3.08Å; S592-I598 VanDerWaalsContact O-CD1 3.28Å; S592-I598 WeakPolarHBondContact O-CD1 3.38Å
593	H	82.5	Confident	90.3	Very high	32 Å²	32	34.9 Å²	34.9	15%	0.148	17%	0.165	C	C	.	.	S	Bend	trans	-93.8	3	166.8	-60.6	-43.6	0	0	0	114	L281 L283 E564	L281-H593 PolarHBondContact O-CD2 2.65Å; L281-H593 VanDerWaalsContact O-CG 3.3Å; L283-H593 HydrophobicContact CD2-CB 4.32Å; L283-H593 VanDerWaalsContact CD2-O 3.23Å; L283-H593 WeakPolarHBondContact CD2-O 3.16Å; E564-H593 IonicContact OE1-CD2 2.71Å; E564-H593 PolarHBondContact OE1-CD2 3.5Å; E564-H593 IonicContact OE1-CE1 2.62Å; E564-H593 PolarHBondContact OE1-CE1 3.43Å; E564-H593 IonicContact OE1-CG 3.71Å; E564-H593 IonicContact OE1-ND1 3.4Å; E564-H593 IonicContact OE1-NE2 2.92Å; E564-H593 PolarHBondContact OE1-NE2 3.1Å; E564-H593 IonicContact OE2-CD2 3.46Å; E564-H593 IonicContact OE2-CG 2.99Å; E564-H593 PolarHBondContact OE2-N 2.7Å
594	D	84.6	Confident	90.4	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.059	15%	0.149	C	C	.	.			trans	-91.5	109.3	178.6	-168.3	-41.6	0	0	0	111.5	T566 S592 R596 L597 I598	T566-D594 HydrophobicContact CG2-CB 3.99Å; S592-D594 PolarHBondContact OG-N 2.98Å; S592-D594 VanDerWaalsContact OG-N 3.08Å; D594-R596 VanDerWaalsContact C-N 3.34Å; D594-R596 PolarHBondContact O-N 3.29Å; D594-R596 WeakPolarHBondContact OD1-CB 3.44Å; D594-R596 PolarHBondContact OD1-N 3.42Å; D594-L597 HydrophobicContact CB-CB 4Å; D594-L597 PolarHBondContact OD1-N 3.31Å; D594-L597 VanDerWaalsContact OD1-N 3.07Å; D594-I598 WeakPolarHBondContact O-CD1 3.21Å; D594-I598 WeakPolarHBondContact O-CG1 3.47Å; D594-I598 PolarHBondContact O-N 3.11Å; D594-I598 VanDerWaalsContact O-N 3.1Å
595	F	85.3	Confident	90.5	Very high	10 Å²	10	31.6 Å²	31.6	4%	0.044	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-41.3	179.5	-78.4	-82.7	0	0	0	112.9	L283 V287 D308 Q599 I620 K624	L283-F595 HydrophobicContact CB-CZ 4.21Å; L283-F595 HydrophobicContact CD2-CD2 3.94Å; L283-F595 HydrophobicContact CD2-CE1 4.11Å; L283-F595 HydrophobicContact CD2-CE2 3.51Å; L283-F595 HydrophobicContact CD2-CG 4.41Å; L283-F595 HydrophobicContact CD2-CZ 3.6Å; L283-F595 HydrophobicContact CG-CZ 4.41Å; V287-F595 HydrophobicContact CG2-CE2 3.82Å; V287-F595 HydrophobicContact CG2-CZ 3.57Å; D308-F595 WeakPolarHBondContact OD2-CB 3.2Å; F595-Q599 VanDerWaalsContact O-CB 3.28Å; F595-Q599 WeakPolarHBondContact O-CB 3.01Å; F595-Q599 PolarHBondContact O-N 3.35Å; F595-I620 HydrophobicContact CD1-CD1 4.27Å; F595-I620 HydrophobicContact CD1-CG1 3.66Å; F595-I620 HydrophobicContact CE1-CD1 4.35Å; F595-I620 HydrophobicContact CE1-CG1 4.16Å; F595-K624 HydrophobicContact CD1-CB 4.17Å; F595-K624 HydrophobicContact CD1-CD 4.16Å; F595-K624 HydrophobicContact CD1-CG 4.41Å; F595-K624 HydrophobicContact CE1-CB 3.61Å; F595-K624 HydrophobicContact CE1-CD 4.05Å; F595-K624 HydrophobicContact CE1-CG 3.84Å; F595-K624 HydrophobicContact CE2-CD 4.42Å; F595-K624 HydrophobicContact CG-CD 4.44Å; F595-K624 HydrophobicContact CZ-CB 4.18Å; F595-K624 HydrophobicContact CZ-CD 4.17Å; F595-K624 HydrophobicContact CZ-CG 3.95Å
596	R	84.4	Confident	90.7	Very high	52 Å²	52	25.9 Å²	25.9	20%	0.196	12%	0.123	C	C	.	.	H	α-helix	trans	-71.1	-44.8	-177.5	178.8	166.3	170.2	-99.2	3.8	111.4	Q307 D308 D575 D594 I598 Q599 Q600	Q307-R596 VanDerWaalsContact NE2-CZ 3.28Å; D308-R596 WeakPolarHBondContact OD2-CB 3.28Å; D308-R596 PolarHBondContact OD2-N 3.27Å; D575-R596 IonicContact OD1-CZ 3.39Å; D575-R596 IonicContact OD1-NH1 2.75Å; D575-R596 PolarHBondContact OD1-NH1 2.9Å; D575-R596 IonicContact OD1-NH2 2.64Å; D575-R596 PolarHBondContact OD1-NH2 2.97Å; D575-R596 IonicContact OD2-NH1 3.74Å; D575-R596 IonicContact OD2-NH2 3.14Å; D575-R596 PolarHBondContact OD2-NH2 3.44Å; D594-R596 VanDerWaalsContact C-N 3.34Å; D594-R596 PolarHBondContact O-N 3.29Å; D594-R596 WeakPolarHBondContact OD1-CB 3.44Å; D594-R596 PolarHBondContact OD1-N 3.42Å; R596-I598 VanDerWaalsContact C-N 3.33Å; R596-I598 PolarHBondContact O-N 3.42Å; R596-Q599 PolarHBondContact O-N 3.35Å; R596-Q600 WeakPolarHBondContact O-CB 3.29Å; R596-Q600 VanDerWaalsContact O-CG 3.3Å; R596-Q600 WeakPolarHBondContact O-CG 3.49Å; R596-Q600 PolarHBondContact O-N 2.89Å
597	L	88.6	Confident	90.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-48.9	175.4	179.5	64.2	0	0	0	110.1	P565 T566 I574 A578 L590 D594 Q599 Q600 V601	P565-L597 HydrophobicContact CG-CD2 4.11Å; T566-L597 HydrophobicContact CG2-CB 4.48Å; T566-L597 HydrophobicContact CG2-CD2 3.42Å; T566-L597 VanDerWaalsContact CG2-CD2 3.42Å; I574-L597 HydrophobicContact CG2-CB 4.36Å; I574-L597 HydrophobicContact CG2-CD1 4.31Å; A578-L597 HydrophobicContact CB-CD1 3.76Å; L590-L597 HydrophobicContact CD1-CD2 4.27Å; L590-L597 HydrophobicContact CD2-CD2 4.04Å; L590-L597 HydrophobicContact CD2-CG 3.99Å; D594-L597 HydrophobicContact CB-CB 4Å; D594-L597 PolarHBondContact OD1-N 3.31Å; D594-L597 VanDerWaalsContact OD1-N 3.07Å; L597-Q599 VanDerWaalsContact C-N 3.33Å; L597-Q599 PolarHBondContact O-N 2.76Å; L597-Q600 PolarHBondContact O-N 3Å; L597-V601 HydrophobicContact CD1-CG1 4.03Å; L597-V601 VanDerWaalsContact O-CG2 3.22Å; L597-V601 WeakPolarHBondContact O-CG2 3.46Å; L597-V601 PolarHBondContact O-N 3.38Å; L597-V601 VanDerWaalsContact O-N 3.14Å
598	I	91.5	Very high	90.7	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-45.6	177.8	-67.1	166.6	0	0	0	110.9	A449 V451 L590 S592 D594 R596 Q600 V601 A602 I620	A449-I598 HydrophobicContact CB-CB 4.36Å; A449-I598 HydrophobicContact CB-CG1 4.13Å; A449-I598 HydrophobicContact CB-CG2 3.48Å; A449-I598 VanDerWaalsContact CB-CG2 3.48Å; V451-I598 HydrophobicContact CG1-CD1 4.25Å; L590-I598 HydrophobicContact CD2-CG1 4.14Å; S592-I598 VanDerWaalsContact O-CD1 3.28Å; S592-I598 WeakPolarHBondContact O-CD1 3.38Å; D594-I598 WeakPolarHBondContact O-CD1 3.21Å; D594-I598 WeakPolarHBondContact O-CG1 3.47Å; D594-I598 PolarHBondContact O-N 3.11Å; D594-I598 VanDerWaalsContact O-N 3.1Å; R596-I598 VanDerWaalsContact C-N 3.33Å; R596-I598 PolarHBondContact O-N 3.42Å; I598-Q600 VanDerWaalsContact C-N 3.27Å; I598-Q600 PolarHBondContact O-N 3.23Å; I598-V601 PolarHBondContact O-N 3.2Å; I598-A602 HydrophobicContact CG2-CB 4.07Å; I598-A602 VanDerWaalsContact O-CB 3.24Å; I598-A602 WeakPolarHBondContact O-CB 3.41Å; I598-A602 PolarHBondContact O-N 3.16Å; I598-I620 HydrophobicContact CB-CG1 4.35Å; I598-I620 HydrophobicContact CD1-CD1 4.38Å; I598-I620 HydrophobicContact CG2-CB 4.02Å; I598-I620 HydrophobicContact CG2-CD1 3.89Å; I598-I620 HydrophobicContact CG2-CG1 3.82Å; I598-I620 HydrophobicContact CG2-CG2 4.44Å
599	Q	90.8	Very high	90.4	Very high	100 Å²	100	28.7 Å²	28.7	47%	0.467	14%	0.136	S	C	.	.	H	α-helix	trans	-61.1	-35.7	179.4	-172.8	174.4	-14.6	0	0	112.8	F595 R596 L597 I620	F595-Q599 VanDerWaalsContact O-CB 3.28Å; F595-Q599 WeakPolarHBondContact O-CB 3.01Å; F595-Q599 PolarHBondContact O-N 3.35Å; R596-Q599 PolarHBondContact O-N 3.35Å; L597-Q599 VanDerWaalsContact C-N 3.33Å; L597-Q599 PolarHBondContact O-N 2.76Å; Q599-I620 HydrophobicContact CB-CG2 3.62Å; Q599-I620 HydrophobicContact CG-CG2 4.07Å
600	Q	90	Very high	90	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	17%	0.174	S	C	.	.	H	α-helix	trans	-78.2	-31.5	-177.2	-74.7	177.5	-7.4	0	0	113.4	A578 N582 R596 L597 I598	A578-Q600 HydrophobicContact CB-CB 4.38Å; N582-Q600 PolarHBondContact ND2-O 3.2Å; N582-Q600 VanDerWaalsContact ND2-O 3.11Å; N582-Q600 PolarHBondContact OD1-O 3.38Å; N582-Q600 VanDerWaalsContact OD1-O 3.12Å; R596-Q600 WeakPolarHBondContact O-CB 3.29Å; R596-Q600 VanDerWaalsContact O-CG 3.3Å; R596-Q600 WeakPolarHBondContact O-CG 3.49Å; R596-Q600 PolarHBondContact O-N 2.89Å; L597-Q600 PolarHBondContact O-N 3Å; I598-Q600 VanDerWaalsContact C-N 3.27Å; I598-Q600 PolarHBondContact O-N 3.23Å
601	V	92.2	Very high	89.8	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-115	-27	-168.5	-53.2	0	0	0	0	115.1	A578 I581 M588 L590 L597 I598	A578-V601 HydrophobicContact CB-CG1 4Å; I581-V601 HydrophobicContact CB-CB 4.45Å; I581-V601 HydrophobicContact CB-CG1 3.98Å; I581-V601 HydrophobicContact CD1-CG1 4.23Å; I581-V601 HydrophobicContact CG2-CB 3.64Å; I581-V601 HydrophobicContact CG2-CG1 3.72Å; I581-V601 HydrophobicContact CG2-CG2 4.37Å; M588-V601 HydrophobicContact SD-CG2 4.19Å; L590-V601 HydrophobicContact CD2-CG2 3.55Å; L597-V601 HydrophobicContact CD1-CG1 4.03Å; L597-V601 VanDerWaalsContact O-CG2 3.22Å; L597-V601 WeakPolarHBondContact O-CG2 3.46Å; L597-V601 PolarHBondContact O-N 3.38Å; L597-V601 VanDerWaalsContact O-N 3.14Å; I598-V601 PolarHBondContact O-N 3.2Å
602	A	92.3	Very high	89.8	Confident	21 Å²	21	41.7 Å²	41.7	17%	0.174	21%	0.205	C	C	.	.			trans	-92.3	134.5	-174.8	0	0	0	0	0	111.5	A449 I598	A449-A602 HydrophobicContact CB-CB 3.52Å; I598-A602 HydrophobicContact CG2-CB 4.07Å; I598-A602 VanDerWaalsContact O-CB 3.24Å; I598-A602 WeakPolarHBondContact O-CB 3.41Å; I598-A602 PolarHBondContact O-N 3.16Å
603	Q	91.9	Very high	90.1	Very high	151 Å²	151	42.8 Å²	42.8	71%	0.706	21%	0.211	S	C	*	.	S	Bend	trans	-93.7	-32	172.6	-65.5	176.1	1	0	0	111.3	R447	R447-Q603 HydrophobicContact CB-CB 4.11Å; R447-Q603 HydrophobicContact CB-CG 3.9Å; R447-Q603 HydrophobicContact CG-CG 4.31Å; R447-Q603 PolarHBondContact O-N 2.92Å
604	E	93.3	Very high	90.6	Very high	56 Å²	56	44.8 Å²	44.8	26%	0.262	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.5	179.6	-56.3	-166.9	175.9	0	0	111.2	R447 V448 A449 W606 K615	R447-E604 PolarHBondContact O-N 2.97Å; V448-E604 WeakPolarHBondContact CA-O 3.35Å; V448-E604 HydrophobicContact CG2-CB 4.02Å; A449-E604 PolarHBondContact N-O 3.4Å; E604-W606 PolarHBondContact OE2-NE1 3.39Å; E604-K615 IonicContact OE1-NZ 2.75Å; E604-K615 PolarHBondContact OE1-NZ 2.69Å; E604-K615 WeakPolarHBondContact OE2-CD 3.29Å; E604-K615 WeakPolarHBondContact OE2-CE 3.48Å; E604-K615 IonicContact OE2-NZ 3.85Å; E604-K615 PolarHBondContact OE2-NZ 3.01Å
605	I	94.6	Very high	90.9	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.051	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.3	176.5	-59.8	169	0	0	0	108	A449 V451 W616 G619 I620	A449-I605 WeakPolarHBondContact O-CA 3.36Å; V451-I605 HydrophobicContact CB-CG2 4.48Å; V451-I605 HydrophobicContact CG1-CG2 4.13Å; V451-I605 HydrophobicContact CG2-CG2 3.51Å; I605-W616 HydrophobicContact CB-CB 4.07Å; I605-W616 HydrophobicContact CG2-CB 4.16Å; I605-W616 WeakPolarHBondContact O-CB 3.28Å; I605-W616 PolarHBondContact O-N 3.15Å; I605-G619 VanDerWaalsContact CD1-C 3.42Å; I605-I620 HydrophobicContact CD1-CB 3.52Å; I605-I620 HydrophobicContact CD1-CD1 3.87Å; I605-I620 HydrophobicContact CD1-CG1 4.27Å
606	W	94.6	Very high	91.3	Very high	17 Å²	17	52.9 Å²	52.9	6%	0.064	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122	177.7	-72.1	13.4	0	0	0	108.8	F440 I442 V448 A449 L450 V451 M589 E604 I613 T614	F440-W606 HydrophobicContact CB-CH2 4.06Å; F440-W606 HydrophobicContact CD1-CZ3 4.3Å; F440-W606 AromaticContact CD2-CH2 3.46Å; F440-W606 HydrophobicContact CD2-CH2 3.46Å; F440-W606 VanDerWaalsContact CD2-CH2 3.46Å; F440-W606 AromaticContact CD2-CZ3 3.58Å; F440-W606 HydrophobicContact CD2-CZ3 3.58Å; F440-W606 HydrophobicContact CE1-CZ3 4.41Å; F440-W606 HydrophobicContact CE2-CH2 4.04Å; F440-W606 AromaticContact CE2-CZ3 3.72Å; F440-W606 HydrophobicContact CE2-CZ3 3.72Å; F440-W606 AromaticContact CG-CH2 3.8Å; F440-W606 HydrophobicContact CG-CH2 3.8Å; F440-W606 AromaticContact CG-CZ3 3.9Å; F440-W606 HydrophobicContact CG-CZ3 3.9Å; F440-W606 HydrophobicContact CZ-CZ3 4.14Å; I442-W606 HydrophobicContact CG1-CH2 4.22Å; V448-W606 HydrophobicContact CB-CD2 4.46Å; V448-W606 HydrophobicContact CG1-CB 3.86Å; V448-W606 HydrophobicContact CG1-CD2 3.48Å; V448-W606 VanDerWaalsContact CG1-CD2 3.48Å; V448-W606 HydrophobicContact CG1-CE3 3.9Å; V448-W606 HydrophobicContact CG1-CG 3.46Å; V448-W606 VanDerWaalsContact CG1-CG 3.46Å; V448-W606 HydrophobicContact CG2-CD2 4.13Å; V448-W606 HydrophobicContact CG2-CG 4.49Å; V448-W606 HydrophobicContact CG2-CH2 4.47Å; V448-W606 HydrophobicContact CG2-CZ2 3.82Å; A449-W606 PolarHBondContact O-N 3.33Å; L450-W606 WeakPolarHBondContact CA-O 3.37Å; L450-W606 HydrophobicContact CD1-CB 3.94Å; V451-W606 PolarHBondContact N-O 3.03Å; M589-W606 HydrophobicContact CE-CZ3 4.1Å; E604-W606 PolarHBondContact OE2-NE1 3.39Å; W606-I613 HydrophobicContact CB-CG2 3.81Å; W606-I613 HydrophobicContact CD2-CG2 4.16Å; W606-I613 HydrophobicContact CE3-CG2 3.83Å; W606-I613 HydrophobicContact CG-CG2 4.21Å; W606-T614 CarbonylContact C-O 3.58Å; W606-T614 WeakPolarHBondContact CA-O 3.43Å
607	V	93.4	Very high	91.5	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.9	-179.6	-175.8	0	0	0	0	108.6	V451 E609 I613 T614 W616 Y623	V451-V607 HydrophobicContact CG2-CB 4.36Å; V451-V607 HydrophobicContact CG2-CG2 3.8Å; V451-V607 WeakPolarHBondContact O-CA 3.48Å; V607-E609 HydrophobicContact CG1-CB 4.33Å; V607-E609 HydrophobicContact CG1-CG 3.83Å; V607-I613 WeakPolarHBondContact O-CA 3.35Å; V607-T614 PolarHBondContact N-O 2.89Å; V607-T614 PolarHBondContact O-N 3.27Å; V607-W616 HydrophobicContact CG2-CB 4.08Å; V607-W616 HydrophobicContact CG2-CE3 4.28Å; V607-Y623 HydrophobicContact CG1-CE2 4.43Å; V607-Y623 HydrophobicContact CG2-CD2 4.32Å; V607-Y623 HydrophobicContact CG2-CE2 3.83Å
608	C	91.4	Very high	91.5	Very high	1 Å²	1	64 Å²	64	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	93.8	177.8	-175.6	0	0	0	0	109.5	Y435 L450 V451 A456 K458	Y435-C608 PolarHBondContact OH-SG 2.97Å; L450-C608 HydrophobicContact CD1-CB 4.05Å; L450-C608 HydrophobicContact CG-CB 4.49Å; V451-C608 PolarHBondContact O-N 3.19Å; A456-C608 HydrophobicContact CB-CB 4.41Å; A456-C608 VanDerWaalsContact CB-O 3.26Å; A456-C608 WeakPolarHBondContact CB-O 3.49Å; A456-C608 PolarHBondContact O-SG 3.38Å; K458-C608 HydrophobicContact CG-CB 4.27Å
609	E	88.1	Confident	91.3	Very high	52 Å²	52	65.9 Å²	65.9	24%	0.243	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.7	-179.2	-73.4	-172.3	177.6	0	0	110.9	P453 V607 Q611 T612	P453-E609 HydrophobicContact CG-CG 4.31Å; V607-E609 HydrophobicContact CG1-CB 4.33Å; V607-E609 HydrophobicContact CG1-CG 3.83Å; E609-Q611 PolarHBondContact O-N 3.11Å; E609-Q611 VanDerWaalsContact O-N 3.09Å; E609-T612 PolarHBondContact N-O 3Å; E609-T612 CarbonylContact O-C 3.58Å; E609-T612 WeakPolarHBondContact O-CG2 3.39Å; E609-T612 PolarHBondContact O-N 3.32Å
610	N	86.4	Confident	91.2	Very high	148 Å²	148	61.4 Å²	61.4	79%	0.791	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	36.2	172.6	-57.2	-41	0	0	0	114.6	T612	N610-T612 PolarHBondContact O-N 3.34Å
611	Q	90.1	Very high	91.1	Very high	75 Å²	75	62.3 Å²	62.3	35%	0.35	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	20.1	-179.6	-49.2	170.7	5.4	0	0	114.7	H433 I434 Y435 K436 E609	H433-Q611 VanDerWaalsContact O-CD 3.32Å; H433-Q611 WeakPolarHBondContact O-CG 3.31Å; I434-Q611 WeakPolarHBondContact O-CA 2.94Å; Y435-Q611 WeakPolarHBondContact CA-O 3.29Å; K436-Q611 PolarHBondContact N-O 3.21Å; E609-Q611 PolarHBondContact O-N 3.11Å; E609-Q611 VanDerWaalsContact O-N 3.09Å
612	T	92.1	Very high	90.9	Very high	51 Å²	51	62.8 Å²	62.8	31%	0.313	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	175.6	178.4	-168.3	0	0	0	0	110.8	E609 N610 T614	E609-T612 PolarHBondContact N-O 3Å; E609-T612 CarbonylContact O-C 3.58Å; E609-T612 WeakPolarHBondContact O-CG2 3.39Å; E609-T612 PolarHBondContact O-N 3.32Å; N610-T612 PolarHBondContact O-N 3.34Å; T612-T614 HydrophobicContact CG2-CG2 4.05Å
613	I	93.4	Very high	90.8	Very high	25 Å²	25	62 Å²	62	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.6	175.1	-60.7	169.5	0	0	0	107.1	Y435 L438 F440 L450 L461 W606 V607	Y435-I613 HydrophobicContact CD1-CG1 4.5Å; Y435-I613 HydrophobicContact CE1-CD1 4.04Å; Y435-I613 HydrophobicContact CE1-CG1 3.9Å; L438-I613 HydrophobicContact CD1-CD1 3.99Å; L438-I613 HydrophobicContact CD2-CB 4.18Å; L438-I613 HydrophobicContact CD2-CD1 4.15Å; L438-I613 HydrophobicContact CD2-CG1 3.98Å; F440-I613 HydrophobicContact CE1-CD1 4.1Å; L450-I613 HydrophobicContact CD1-CG2 4.37Å; L461-I613 HydrophobicContact CD1-CD1 3.62Å; L461-I613 HydrophobicContact CD2-CD1 3.38Å; L461-I613 HydrophobicContact CG-CD1 4.07Å; W606-I613 HydrophobicContact CB-CG2 3.81Å; W606-I613 HydrophobicContact CD2-CG2 4.16Å; W606-I613 HydrophobicContact CE3-CG2 3.83Å; W606-I613 HydrophobicContact CG-CG2 4.21Å; V607-I613 WeakPolarHBondContact O-CA 3.35Å
614	T	92.8	Very high	90.6	Very high	74 Å²	74	56.1 Å²	56.1	45%	0.454	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.1	-179	58.2	0	0	0	0	110.8	W606 V607 T612 W616	W606-T614 CarbonylContact C-O 3.58Å; W606-T614 WeakPolarHBondContact CA-O 3.43Å; V607-T614 PolarHBondContact N-O 2.89Å; V607-T614 PolarHBondContact O-N 3.27Å; T612-T614 HydrophobicContact CG2-CG2 4.05Å; T614-W616 PolarHBondContact O-N 2.9Å
615	K	92.6	Very high	90.4	Very high	123 Å²	123	60 Å²	60	54%	0.535	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.6	175.4	-175.2	171.5	176	168.5	0	109.7	E604	E604-K615 IonicContact OE1-NZ 2.75Å; E604-K615 PolarHBondContact OE1-NZ 2.69Å; E604-K615 WeakPolarHBondContact OE2-CD 3.29Å; E604-K615 WeakPolarHBondContact OE2-CE 3.48Å; E604-K615 IonicContact OE2-NZ 3.85Å; E604-K615 PolarHBondContact OE2-NZ 3.01Å
616	W	93.2	Very high	90.1	Very high	68 Å²	68	63.4 Å²	63.4	26%	0.258	33%	0.327	S	S	.	.			trans	-73.8	136.9	173.6	-169.2	-116.8	0	0	0	110.1	I605 V607 T614 Y623 H626	I605-W616 HydrophobicContact CB-CB 4.07Å; I605-W616 HydrophobicContact CG2-CB 4.16Å; I605-W616 WeakPolarHBondContact O-CB 3.28Å; I605-W616 PolarHBondContact O-N 3.15Å; V607-W616 HydrophobicContact CG2-CB 4.08Å; V607-W616 HydrophobicContact CG2-CE3 4.28Å; T614-W616 PolarHBondContact O-N 2.9Å; W616-Y623 HydrophobicContact CD2-CD2 4.01Å; W616-Y623 AromaticContact CE2-CD2 3.92Å; W616-Y623 HydrophobicContact CE3-CD2 4.33Å; W616-Y623 HydrophobicContact CG-CD2 4.38Å; W616-Y623 HydrophobicContact CZ2-CD2 4.21Å; W616-H626 HydrophobicContact CH2-CB 3.96Å; W616-H626 AromaticContact CH2-CD2 3.69Å; W616-H626 AromaticContact CH2-CG 3.58Å; W616-H626 AromaticContact CH2-ND1 3.94Å; W616-H626 HydrophobicContact CZ2-CB 3.82Å; W616-H626 AromaticContact CZ2-CG 3.98Å
617	K	88.3	Confident	89.8	Confident	215 Å²	215	62.7 Å²	62.7	94%	0.935	33%	0.325	S	S	*	.	S	Bend	trans	-82.3	-19.6	-173.4	-66.2	-176.1	179.6	179.7	0	114
618	S	87.9	Confident	89.5	Confident	69 Å²	69	64.7 Å²	64.7	48%	0.483	33%	0.333	S	S	.	.	S	Bend	trans	-108.8	177.8	-179.1	-168.5	0	0	0	0	110.7
619	G	88.4	Confident	89.3	Confident	43 Å²	43	66.4 Å²	66.4	44%	0.443	35%	0.345	S	S	.	.			trans	-75.2	-179.4	170.6	0	0	0	0	0	112.8	I605 L621 G622 Y623	I605-G619 VanDerWaalsContact CD1-C 3.42Å; G619-L621 VanDerWaalsContact C-N 3.3Å; G619-L621 PolarHBondContact O-N 3.15Å; G619-G622 PolarHBondContact O-N 3.29Å; G619-G622 VanDerWaalsContact O-N 3.16Å; G619-Y623 PolarHBondContact O-N 3.14Å
620	I	88.6	Confident	89.1	Confident	6 Å²	6	67.8 Å²	67.8	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-31	-175.4	-169.2	67	0	0	0	112.1	V451 F595 I598 Q599 I605 Y623 K624	V451-I620 HydrophobicContact CG1-CD1 4.28Å; F595-I620 HydrophobicContact CD1-CD1 4.27Å; F595-I620 HydrophobicContact CD1-CG1 3.66Å; F595-I620 HydrophobicContact CE1-CD1 4.35Å; F595-I620 HydrophobicContact CE1-CG1 4.16Å; I598-I620 HydrophobicContact CB-CG1 4.35Å; I598-I620 HydrophobicContact CD1-CD1 4.38Å; I598-I620 HydrophobicContact CG2-CB 4.02Å; I598-I620 HydrophobicContact CG2-CD1 3.89Å; I598-I620 HydrophobicContact CG2-CG1 3.82Å; I598-I620 HydrophobicContact CG2-CG2 4.44Å; Q599-I620 HydrophobicContact CB-CG2 3.62Å; Q599-I620 HydrophobicContact CG-CG2 4.07Å; I605-I620 HydrophobicContact CD1-CB 3.52Å; I605-I620 HydrophobicContact CD1-CD1 3.87Å; I605-I620 HydrophobicContact CD1-CG1 4.27Å; I620-Y623 HydrophobicContact CD1-CD1 4.09Å; I620-Y623 CarbonylContact O-C 3.6Å; I620-Y623 WeakPolarHBondContact O-CB 3.43Å; I620-Y623 PolarHBondContact O-N 3.2Å; I620-K624 PolarHBondContact O-N 2.97Å
621	L	87.1	Confident	88.8	Confident	90 Å²	90	62.5 Å²	62.5	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-43.3	173	-64.6	176.6	0	0	0	111.4	G619 Y623 K624 E625	G619-L621 VanDerWaalsContact C-N 3.3Å; G619-L621 PolarHBondContact O-N 3.15Å; L621-Y623 VanDerWaalsContact C-N 3.26Å; L621-Y623 PolarHBondContact O-N 3.31Å; L621-K624 WeakPolarHBondContact O-CB 3.29Å; L621-K624 PolarHBondContact O-N 3.27Å; L621-K624 VanDerWaalsContact O-N 3.11Å; L621-E625 PolarHBondContact O-N 3.39Å
622	G	88.6	Confident	88.1	Confident	16 Å²	16	66.7 Å²	66.7	17%	0.165	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-31.3	174.4	0	0	0	0	0	112.5	G619 H626	G619-G622 PolarHBondContact O-N 3.29Å; G619-G622 VanDerWaalsContact O-N 3.16Å; G622-H626 WeakPolarHBondContact O-CB 3.35Å; G622-H626 PolarHBondContact O-N 2.71Å
623	Y	89.3	Confident	86.9	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-67.4	-42.9	169.7	-173.2	-107.7	0	0	0	111.7	L283 V451 V607 W616 G619 I620 L621 E625 H626 L627	L283-Y623 HydrophobicContact CD1-CE1 4.24Å; V451-Y623 HydrophobicContact CB-CE1 4.29Å; V451-Y623 HydrophobicContact CG2-CD1 4.43Å; V451-Y623 HydrophobicContact CG2-CE1 3.96Å; V451-Y623 HydrophobicContact CG2-CE2 4.42Å; V607-Y623 HydrophobicContact CG1-CE2 4.43Å; V607-Y623 HydrophobicContact CG2-CD2 4.32Å; V607-Y623 HydrophobicContact CG2-CE2 3.83Å; W616-Y623 HydrophobicContact CD2-CD2 4.01Å; W616-Y623 AromaticContact CE2-CD2 3.92Å; W616-Y623 HydrophobicContact CE3-CD2 4.33Å; W616-Y623 HydrophobicContact CG-CD2 4.38Å; W616-Y623 HydrophobicContact CZ2-CD2 4.21Å; G619-Y623 PolarHBondContact O-N 3.14Å; I620-Y623 HydrophobicContact CD1-CD1 4.09Å; I620-Y623 CarbonylContact O-C 3.6Å; I620-Y623 WeakPolarHBondContact O-CB 3.43Å; I620-Y623 PolarHBondContact O-N 3.2Å; L621-Y623 VanDerWaalsContact C-N 3.26Å; L621-Y623 PolarHBondContact O-N 3.31Å; Y623-E625 PolarHBondContact O-N 3.47Å; Y623-H626 WeakPolarHBondContact O-CB 3.19Å; Y623-H626 PolarHBondContact O-N 3.23Å; Y623-L627 HydrophobicContact CD1-CD1 3.99Å; Y623-L627 HydrophobicContact CD1-CG 4.32Å; Y623-L627 HydrophobicContact CE1-CD1 3.55Å; Y623-L627 HydrophobicContact CE1-CD2 4.29Å; Y623-L627 HydrophobicContact CE1-CG 3.99Å; Y623-L627 HydrophobicContact CE2-CD2 4.49Å; Y623-L627 WeakPolarHBondContact O-CG 3.3Å; Y623-L627 PolarHBondContact O-N 3.5Å
624	K	88.8	Confident	85.2	Confident	28 Å²	28	79.4 Å²	79.4	12%	0.122	39%	0.394	C	S	.	.	H	α-helix	trans	-58.3	-45.5	175	-169.7	174.2	-178.9	173.2	0	111.7	V287 E290 F595 I620 L621 H626 L627 K628	V287-K624 HydrophobicContact CG2-CG 4.01Å; E290-K624 IonicContact OE1-NZ 3.77Å; E290-K624 PolarHBondContact OE1-NZ 3.49Å; E290-K624 WeakPolarHBondContact OE2-CE 3.29Å; E290-K624 IonicContact OE2-NZ 3.56Å; E290-K624 PolarHBondContact OE2-NZ 3.47Å; F595-K624 HydrophobicContact CD1-CB 4.17Å; F595-K624 HydrophobicContact CD1-CD 4.16Å; F595-K624 HydrophobicContact CD1-CG 4.41Å; F595-K624 HydrophobicContact CE1-CB 3.61Å; F595-K624 HydrophobicContact CE1-CD 4.05Å; F595-K624 HydrophobicContact CE1-CG 3.84Å; F595-K624 HydrophobicContact CE2-CD 4.42Å; F595-K624 HydrophobicContact CG-CD 4.44Å; F595-K624 HydrophobicContact CZ-CB 4.18Å; F595-K624 HydrophobicContact CZ-CD 4.17Å; F595-K624 HydrophobicContact CZ-CG 3.95Å; I620-K624 PolarHBondContact O-N 2.97Å; L621-K624 WeakPolarHBondContact O-CB 3.29Å; L621-K624 PolarHBondContact O-N 3.27Å; L621-K624 VanDerWaalsContact O-N 3.11Å; K624-H626 VanDerWaalsContact C-N 3.35Å; K624-L627 WeakPolarHBondContact O-CB 3.24Å; K624-L627 PolarHBondContact O-N 3.34Å; K624-K628 WeakPolarHBondContact O-CG 3.46Å; K624-K628 PolarHBondContact O-N 3.43Å
625	E	88.5	Confident	84.8	Confident	138 Å²	138	79.7 Å²	79.7	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-62.8	-41	175.6	-71.9	177.4	174.3	0	0	112.1	L621 Y623 L627 K628 S629	L621-E625 PolarHBondContact O-N 3.39Å; Y623-E625 PolarHBondContact O-N 3.47Å; E625-L627 VanDerWaalsContact C-N 3.32Å; E625-L627 PolarHBondContact O-N 3.04Å; E625-K628 PolarHBondContact O-N 3.3Å; E625-S629 WeakPolarHBondContact O-CB 3.16Å; E625-S629 PolarHBondContact O-N 3.3Å
626	H	89.4	Confident	84.4	Confident	81 Å²	81	77.4 Å²	77.4	38%	0.375	38%	0.383	S	S	.	.	H	α-helix	trans	-57.9	-45.7	173.7	178.7	69.1	0	0	0	111.4	W616 G622 Y623 K624 S629 K630	W616-H626 HydrophobicContact CH2-CB 3.96Å; W616-H626 AromaticContact CH2-CD2 3.69Å; W616-H626 AromaticContact CH2-CG 3.58Å; W616-H626 AromaticContact CH2-ND1 3.94Å; W616-H626 HydrophobicContact CZ2-CB 3.82Å; W616-H626 AromaticContact CZ2-CG 3.98Å; G622-H626 WeakPolarHBondContact O-CB 3.35Å; G622-H626 PolarHBondContact O-N 2.71Å; Y623-H626 WeakPolarHBondContact O-CB 3.19Å; Y623-H626 PolarHBondContact O-N 3.23Å; K624-H626 VanDerWaalsContact C-N 3.35Å; H626-S629 PolarHBondContact O-N 3.01Å; H626-S629 PolarHBondContact O-OG 3.18Å; H626-K630 WeakPolarHBondContact O-CB 3.47Å; H626-K630 PolarHBondContact O-N 2.89Å
627	L	87.6	Confident	83.9	Confident	3 Å²	3	77.9 Å²	77.9	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-62.1	-44.8	175.7	-65.3	-177.8	0	0	0	112.3	L283 D284 V287 Y623 K624 E625 S629 K630 I631	L283-L627 HydrophobicContact CB-CD1 4.2Å; D284-L627 VanDerWaalsContact OD1-CD1 3.27Å; D284-L627 WeakPolarHBondContact OD1-CD1 3.49Å; D284-L627 WeakPolarHBondContact OD1-CD2 3.4Å; V287-L627 HydrophobicContact CG1-CB 4.43Å; V287-L627 HydrophobicContact CG2-CD1 4.33Å; Y623-L627 HydrophobicContact CD1-CD1 3.99Å; Y623-L627 HydrophobicContact CD1-CG 4.32Å; Y623-L627 HydrophobicContact CE1-CD1 3.55Å; Y623-L627 HydrophobicContact CE1-CD2 4.29Å; Y623-L627 HydrophobicContact CE1-CG 3.99Å; Y623-L627 HydrophobicContact CE2-CD2 4.49Å; Y623-L627 WeakPolarHBondContact O-CG 3.3Å; Y623-L627 PolarHBondContact O-N 3.5Å; K624-L627 WeakPolarHBondContact O-CB 3.24Å; K624-L627 PolarHBondContact O-N 3.34Å; E625-L627 VanDerWaalsContact C-N 3.32Å; E625-L627 PolarHBondContact O-N 3.04Å; L627-S629 PolarHBondContact O-N 3.33Å; L627-K630 WeakPolarHBondContact O-CB 3.27Å; L627-K630 PolarHBondContact O-N 3.2Å; L627-I631 WeakPolarHBondContact O-CG1 3.44Å; L627-I631 PolarHBondContact O-N 3.5Å; L627-I631 VanDerWaalsContact O-N 3.09Å
628	K	86.4	Confident	83.6	Confident	48 Å²	48	69.9 Å²	69.9	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-46.9	174.9	-71.2	-169	-177.9	-152.7	0	111.6	V287 E290 E291 K624 E625 K630 I631 E632	V287-K628 HydrophobicContact CG1-CD 4.37Å; V287-K628 HydrophobicContact CG1-CG 3.41Å; V287-K628 VanDerWaalsContact CG1-CG 3.41Å; E290-K628 IonicContact OE1-NZ 3.49Å; E290-K628 PolarHBondContact OE1-NZ 2.54Å; E291-K628 WeakPolarHBondContact OE1-CE 3.45Å; E291-K628 IonicContact OE1-NZ 2.77Å; E291-K628 PolarHBondContact OE1-NZ 2.72Å; K624-K628 WeakPolarHBondContact O-CG 3.46Å; K624-K628 PolarHBondContact O-N 3.43Å; E625-K628 PolarHBondContact O-N 3.3Å; K628-K630 VanDerWaalsContact C-N 3.26Å; K628-K630 PolarHBondContact O-N 3.46Å; K628-I631 WeakPolarHBondContact O-CB 3.22Å; K628-I631 PolarHBondContact O-N 3.49Å; K628-I631 VanDerWaalsContact O-N 3.09Å; K628-E632 PolarHBondContact O-N 3.21Å
629	S	87.6	Confident	83.4	Confident	38 Å²	38	69.9 Å²	69.9	27%	0.266	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-29	179	78.4	0	0	0	0	113.5	E625 H626 L627 K633	E625-S629 WeakPolarHBondContact O-CB 3.16Å; E625-S629 PolarHBondContact O-N 3.3Å; H626-S629 PolarHBondContact O-N 3.01Å; H626-S629 PolarHBondContact O-OG 3.18Å; L627-S629 PolarHBondContact O-N 3.33Å; S629-K633 WeakPolarHBondContact O-CD 3.37Å; S629-K633 VanDerWaalsContact O-CG 3.27Å; S629-K633 WeakPolarHBondContact O-CG 3.37Å; S629-K633 PolarHBondContact O-N 3.32Å
630	K	84.9	Confident	83	Confident	80 Å²	80	71.7 Å²	71.7	35%	0.348	34%	0.344	S	S	.	.	H	α-helix	trans	-70.8	-36.8	175.3	-174.7	-178.4	176	-172.3	0	110.6	D284 H626 L627 K628 Q634	D284-K630 IonicContact OD2-NZ 3.56Å; H626-K630 WeakPolarHBondContact O-CB 3.47Å; H626-K630 PolarHBondContact O-N 2.89Å; L627-K630 WeakPolarHBondContact O-CB 3.27Å; L627-K630 PolarHBondContact O-N 3.2Å; K628-K630 VanDerWaalsContact C-N 3.26Å; K628-K630 PolarHBondContact O-N 3.46Å; K630-Q634 WeakPolarHBondContact O-CG 3.31Å
631	I	80.4	Confident	82.7	Confident	38 Å²	38	76.4 Å²	76.4	20%	0.195	37%	0.367	C	S	.	.	H	α-helix	trans	-69.6	-44.9	175.8	-66.3	160.1	0	0	0	110.9	V287 W288 L627 K628 K633 Q634	V287-I631 HydrophobicContact CB-CD1 4.41Å; V287-I631 HydrophobicContact CG1-CD1 3.92Å; W288-I631 HydrophobicContact CB-CD1 3.84Å; L627-I631 WeakPolarHBondContact O-CG1 3.44Å; L627-I631 PolarHBondContact O-N 3.5Å; L627-I631 VanDerWaalsContact O-N 3.09Å; K628-I631 WeakPolarHBondContact O-CB 3.22Å; K628-I631 PolarHBondContact O-N 3.49Å; K628-I631 VanDerWaalsContact O-N 3.09Å; I631-K633 PolarHBondContact O-N 3.22Å; I631-Q634 PolarHBondContact O-N 3.32Å; I631-Q634 VanDerWaalsContact O-N 3.15Å
632	E	74.3	Confident	82.3	Confident	162 Å²	162	75.4 Å²	75.4	76%	0.757	36%	0.359	S	S	*	.	H	α-helix	trans	-64.4	-23.1	-179.9	-71.4	177.4	171.1	0	0	114	K628	K628-E632 PolarHBondContact O-N 3.21Å
633	K	67.8	Low	81.8	Confident	180 Å²	180	80.3 Å²	80.3	78%	0.783	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-10.3	178.3	-73.6	174.1	-177.5	174.5	0	113.8	S629 I631	S629-K633 WeakPolarHBondContact O-CD 3.37Å; S629-K633 VanDerWaalsContact O-CG 3.27Å; S629-K633 WeakPolarHBondContact O-CG 3.37Å; S629-K633 PolarHBondContact O-N 3.32Å; I631-K633 PolarHBondContact O-N 3.22Å
634	Q	56.6	Low	81.1	Confident	164 Å²	164	87.3 Å²	87.3	77%	0.766	41%	0.407	S	S	*	.			trans	-100.7	0	179.7	-72.9	178.5	-1.3	0	0	110.4	H235 K630 I631	H235-Q634 PolarHBondContact CE1-OE1 3.49Å; H235-Q634 VanDerWaalsContact CE1-OE1 3.28Å; K630-Q634 WeakPolarHBondContact O-CG 3.31Å; I631-Q634 PolarHBondContact O-N 3.32Å; I631-Q634 VanDerWaalsContact O-N 3.15Å

Retrieved 634 of 634 residues in 115.2 ms (Link to these results)

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