A0A087YFD5_POEFO Loading...

Lactamase beta like 1

AlphaFold DB , UniProt , Accession A0A087YFD5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 607 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	F	27.3	Very low	25.6	Very low	262 Å²	262	154.2 Å²	154.2	100%	1.149	86%	0.86	S	S	*	*				0	124.6	0	-104.5	-103.4	0	0	0	108.9
2	K	27.1	Very low	25.3	Very low	189 Å²	189	155 Å²	155	82%	0.822	85%	0.853	S	S	*	*			trans	33.2	114.8	165.7	-77.8	-177.7	175.2	178.7	0	122
3	M	24.8	Very low	25.1	Very low	191 Å²	191	154.1 Å²	154.1	94%	0.941	84%	0.838	S	S	*	*				57.3	127.4	125.1	-76.1	-178.2	175	0	0	122.1
4	G	26.2	Very low	25	Very low	70 Å²	70	153.8 Å²	153.8	72%	0.722	84%	0.844	S	S	*	*			trans	170	91.4	145.3	0	0	0	0	0	116.3
5	K	27.3	Very low	24.9	Very low	217 Å²	217	149.5 Å²	149.5	94%	0.943	83%	0.83	S	S	*	*			trans	51.1	139.9	144.7	-63.1	178.4	177.2	179.8	0	119.2
6	A	27.2	Very low	24.8	Very low	103 Å²	103	149.6 Å²	149.6	85%	0.851	83%	0.828	S	S	*	*			cis	-154.9	149.4	12.1	0	0	0	0	0	106.3
7	G	24.8	Very low	24.9	Very low	86 Å²	86	149.8 Å²	149.8	89%	0.887	83%	0.827	S	S	*	*				116.2	96.1	57.6	0	0	0	0	0	108.4
8	S	23.7	Very low	24.8	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	82%	0.822	S	S	*	*			trans	-123.8	138.3	173.7	176	0	0	0	0	109.5
9	K	25.4	Very low	24.8	Very low	195 Å²	195	144.5 Å²	144.5	85%	0.848	82%	0.819	S	S	*	*			trans	146.9	117.3	159.9	-86	175.8	-179.5	-172.8	0	107.6
10	V	23.9	Very low	24.7	Very low	120 Å²	120	145.6 Å²	145.6	73%	0.727	82%	0.817	S	S	*	*				64.5	103.7	53.8	-177	0	0	0	0	112.6
11	L	23.4	Very low	24.6	Very low	150 Å²	150	143.2 Å²	143.2	79%	0.785	81%	0.806	S	S	*	*				150	124.3	127.1	-93.9	147.6	0	0	0	113.4
12	Q	22.6	Very low	24.4	Very low	164 Å²	164	138.3 Å²	138.3	77%	0.766	79%	0.787	S	S	*	*				170.4	115.7	108.1	-96.3	-170.4	-53.4	0	0	108.8
13	Q	23.2	Very low	24.2	Very low	143 Å²	143	140 Å²	140	67%	0.668	79%	0.79	S	S	*	*				91.1	116.7	78.6	-126.6	179.4	-11.9	0	0	111.7
14	T	23.4	Very low	24.1	Very low	150 Å²	150	136.9 Å²	136.9	92%	0.92	78%	0.781	S	S	*	*				-158.9	119.9	125.3	24.3	0	0	0	0	108.2
15	S	22.6	Very low	24	Very low	90 Å²	90	139.8 Å²	139.8	63%	0.629	79%	0.785	S	S	*	*			trans	-87.8	156.1	171	56.6	0	0	0	0	110.7
16	L	24.7	Very low	23.8	Very low	151 Å²	151	138 Å²	138	79%	0.791	78%	0.78	S	S	*	*				178.9	108.9	123.9	-95.4	149.8	0	0	0	110.8
17	D	25.5	Very low	23.7	Very low	153 Å²	153	140.9 Å²	140.9	82%	0.818	78%	0.78	S	S	*	*			trans	40.6	141.6	131.9	-58	-18.2	0	0	0	123.4
18	G	24.1	Very low	23.6	Very low	72 Å²	72	146.2 Å²	146.2	74%	0.742	78%	0.782	S	S	*	*			trans	135.5	59.8	136.9	0	0	0	0	0	120.6
19	V	23.4	Very low	23.6	Very low	127 Å²	127	149.2 Å²	149.2	77%	0.77	78%	0.783	S	S	*	*				37.9	120	124.7	178.9	0	0	0	0	121.2
20	Q	23.3	Very low	23.6	Very low	166 Å²	166	148.4 Å²	148.4	78%	0.776	78%	0.78	S	S	*	*			trans	98.2	113.3	132	-95.1	178.8	-10.7	0	0	125.4
21	T	23.2	Very low	23.6	Very low	96 Å²	96	148.8 Å²	148.8	59%	0.589	78%	0.778	S	S	*	*				64.6	128.8	123.7	40.9	0	0	0	0	124.9
22	Q	22.8	Very low	23.7	Very low	158 Å²	158	146.1 Å²	146.1	74%	0.738	77%	0.772	S	S	*	*			trans	56.4	127.9	132	-72.3	-177.4	-19.6	0	0	120.2
23	Y	23.1	Very low	23.8	Very low	226 Å²	226	144.3 Å²	144.3	89%	0.886	77%	0.772	S	S	*	*			trans	-141.3	114.3	139.7	-80.9	-73.7	0	0	0	112.9
24	T	22	Very low	24.1	Very low	124 Å²	124	143.9 Å²	143.9	76%	0.761	78%	0.779	S	S	*	*			trans	-72.2	146.9	148	-39.8	0	0	0	0	108.2
25	V	24.3	Very low	24.1	Very low	131 Å²	131	144 Å²	144	79%	0.794	77%	0.774	S	S	*	*			trans	-126.5	119.7	167	178.4	0	0	0	0	110.5
26	H	24.2	Very low	25.3	Very low	180 Å²	180	144.3 Å²	144.3	83%	0.833	77%	0.774	S	S	*	*			trans	-81.6	145.7	164.1	-111.2	-50.9	0	0	0	110.3
27	L	23.4	Very low	25.5	Very low	164 Å²	164	146.7 Å²	146.7	86%	0.859	78%	0.778	S	S	*	*			trans	-64.6	137.8	164.6	-78.1	145.9	0	0	0	112
28	Q	23.3	Very low	25.6	Very low	198 Å²	198	143.2 Å²	143.2	93%	0.925	78%	0.779	S	S	*	*			trans	-161.9	133.1	140.9	-117.4	176.8	-11.4	0	0	113.2
29	E	23.8	Very low	25.7	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.822	78%	0.779	S	S	*	*			trans	-72.3	149.1	172.8	-61	170.3	130.1	0	0	112.5
30	K	24.9	Very low	26.2	Very low	177 Å²	177	144.2 Å²	144.2	77%	0.77	79%	0.785	S	S	*	*				168.4	143.7	109.1	-99.9	-179.7	176.4	172.7	0	115.2
31	N	24.8	Very low	26.7	Very low	129 Å²	129	145.2 Å²	145.2	69%	0.69	79%	0.787	S	S	*	*			trans	78.6	99.3	140.8	-70.4	-0.2	0	0	0	122.3
32	S	24.2	Very low	27.5	Very low	94 Å²	94	145.6 Å²	145.6	66%	0.657	79%	0.793	S	S	*	*				30.2	129.7	117.9	63.7	0	0	0	0	120.4
33	T	26.1	Very low	28.3	Very low	125 Å²	125	143.5 Å²	143.5	77%	0.767	79%	0.791	S	S	*	*				178.5	144.9	107.5	27.3	0	0	0	0	114
34	T	28.2	Very low	28.9	Very low	134 Å²	134	141.9 Å²	141.9	82%	0.822	78%	0.784	S	S	*	*			trans	75.9	107.1	148.1	53.7	0	0	0	0	122.8
35	N	24.6	Very low	29.8	Very low	154 Å²	154	141.7 Å²	141.7	82%	0.824	78%	0.782	S	S	*	*			trans	-65.9	-176	149.9	-119.9	-13.7	0	0	0	111.5
36	P	47.3	Very low	30.7	Very low	95 Å²	95	139.3 Å²	139.3	62%	0.617	78%	0.776	S	S	*	*			cis	-140.5	174.9	-9.4	29.5	-6.2	0	0	0	114.9
37	K	28.3	Very low	31.6	Very low	201 Å²	201	135 Å²	135	87%	0.874	76%	0.758	S	S	*	*				159.8	134.2	118.7	-87.5	178	-178.1	179.5	0	113.5
38	G	27.9	Very low	32.6	Very low	81 Å²	81	129.2 Å²	129.2	84%	0.835	74%	0.738	S	S	*	*			trans	83.4	100.6	160.2	0	0	0	0	0	113
39	G	27.6	Very low	33.5	Very low	73 Å²	73	128 Å²	128	75%	0.753	73%	0.727	S	S	*	*			cis	98.6	97.4	43.7	0	0	0	0	0	108
40	V	32.5	Very low	34.6	Very low	147 Å²	147	121.8 Å²	121.8	89%	0.891	70%	0.703	S	S	*	*				-174.5	128	125.1	166.8	0	0	0	0	109.5
41	K	34.9	Very low	35.6	Very low	187 Å²	187	121.1 Å²	121.1	81%	0.813	70%	0.697	S	S	*	*			trans	-34.8	131.6	173.7	-69.6	167.6	174.2	179.4	0	118
42	S	39.8	Very low	36.7	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	70%	0.698	S	S	*	*				61.9	75.1	130	78	0	0	0	0	119.6
43	T	39	Very low	37.6	Very low	114 Å²	114	122.5 Å²	122.5	70%	0.699	69%	0.689	S	S	*	*	S	Bend	trans	-134.5	17.2	153.4	0.7	0	0	0	0	112.9
44	W	36.3	Very low	38.5	Very low	193 Å²	193	121.5 Å²	121.5	73%	0.731	68%	0.678	S	S	*	*	S	Bend	trans	-122.3	-0.2	-171.8	-76.9	94.5	0	0	0	116	A46 L47 G48	W44-A46 VanDerWaalsContact C-N 3.31Å; W44-L47 HydrophobicContact CD2-CB 4.47Å; W44-L47 HydrophobicContact CD2-CD1 4.17Å; W44-L47 HydrophobicContact CE3-CB 3.58Å; W44-L47 HydrophobicContact CE3-CD1 3.81Å; W44-L47 HydrophobicContact CE3-CG 4.33Å; W44-L47 HydrophobicContact CH2-CD1 4Å; W44-L47 HydrophobicContact CZ2-CD1 4.33Å; W44-L47 HydrophobicContact CZ3-CB 3.8Å; W44-L47 HydrophobicContact CZ3-CD1 3.73Å; W44-L47 HydrophobicContact CZ3-CG 4.3Å; W44-G48 PolarHBondContact O-N 2.9Å
45	V	41.1	Very low	39.4	Very low	120 Å²	120	121.3 Å²	121.3	73%	0.727	67%	0.668	S	S	*	*	H	α-helix	trans	-76.7	-22.8	172.7	-176.7	0	0	0	0	111.5
46	A	43.5	Very low	40.5	Very low	80 Å²	80	117 Å²	117	66%	0.661	65%	0.648	S	S	*	*	H	α-helix	trans	-80.6	-28.4	173.7	0	0	0	0	0	113.3	W44 S50	W44-A46 VanDerWaalsContact C-N 3.31Å; A46-S50 PolarHBondContact O-N 3.2Å; A46-S50 PolarHBondContact O-OG 3.45Å
47	L	42.7	Very low	40.4	Very low	89 Å²	89	117.8 Å²	117.8	47%	0.466	64%	0.641	S	S	.	*	H	α-helix	trans	-84.8	-26.9	-178.3	-83	157.9	0	0	0	113.5	W44 S50 Y51	W44-L47 HydrophobicContact CD2-CB 4.47Å; W44-L47 HydrophobicContact CD2-CD1 4.17Å; W44-L47 HydrophobicContact CE3-CB 3.58Å; W44-L47 HydrophobicContact CE3-CD1 3.81Å; W44-L47 HydrophobicContact CE3-CG 4.33Å; W44-L47 HydrophobicContact CH2-CD1 4Å; W44-L47 HydrophobicContact CZ2-CD1 4.33Å; W44-L47 HydrophobicContact CZ3-CB 3.8Å; W44-L47 HydrophobicContact CZ3-CD1 3.73Å; W44-L47 HydrophobicContact CZ3-CG 4.3Å; L47-S50 VanDerWaalsContact CA-OG 3.28Å; L47-S50 WeakPolarHBondContact CA-OG 3.28Å; L47-S50 PolarHBondContact O-OG 3.12Å; L47-Y51 PolarHBondContact O-N 3.32Å
48	G	43.3	Very low	41.2	Very low	43 Å²	43	113.5 Å²	113.5	44%	0.443	63%	0.627	S	S	.	*	H	α-helix	trans	-72	-34.4	173	0	0	0	0	0	113.6	W44 F52	W44-G48 PolarHBondContact O-N 2.9Å; G48-F52 PolarHBondContact O-N 2.84Å
49	Y	42.5	Very low	42.1	Very low	172 Å²	172	112.9 Å²	112.9	68%	0.675	61%	0.608	S	S	*	*	H	α-helix	trans	-72.9	-33.9	174	-105.2	-88	0	0	0	112.4	L53	Y49-L53 WeakPolarHBondContact O-CB 3.41Å; Y49-L53 WeakPolarHBondContact O-CD1 3.38Å; Y49-L53 WeakPolarHBondContact O-CG 3.26Å; Y49-L53 PolarHBondContact O-N 3.22Å; Y49-L53 VanDerWaalsContact O-N 3.12Å
50	S	46.2	Very low	43	Very low	47 Å²	47	114.7 Å²	114.7	33%	0.329	60%	0.597	S	S	.	*	H	α-helix	trans	-70.8	-32.4	175.2	49.7	0	0	0	0	113.3	A46 L47 L54	A46-S50 PolarHBondContact O-N 3.2Å; A46-S50 PolarHBondContact O-OG 3.45Å; L47-S50 VanDerWaalsContact CA-OG 3.28Å; L47-S50 WeakPolarHBondContact CA-OG 3.28Å; L47-S50 PolarHBondContact O-OG 3.12Å; S50-L54 WeakPolarHBondContact O-CB 3.33Å; S50-L54 WeakPolarHBondContact O-CD1 3.45Å; S50-L54 PolarHBondContact O-N 3.11Å; S50-L54 VanDerWaalsContact O-N 3.11Å
51	Y	47.3	Very low	43.6	Very low	162 Å²	162	112.5 Å²	112.5	64%	0.635	58%	0.579	S	S	*	*	H	α-helix	trans	-76.5	-36.3	178.8	-152.1	-90.2	0	0	0	112.2	L47 L54 E55	L47-Y51 PolarHBondContact O-N 3.32Å; Y51-L54 PolarHBondContact O-N 3.28Å; Y51-E55 HydrophobicContact CE1-CG 4.39Å; Y51-E55 PolarHBondContact O-N 2.99Å; Y51-E55 VanDerWaalsContact O-N 3.16Å
52	F	46.4	Very low	44	Very low	163 Å²	163	107.1 Å²	107.1	72%	0.715	56%	0.564	S	S	*	*	H	α-helix	trans	-73	-28.9	175.6	-136.5	-94.2	0	0	0	113	G48 T56	G48-F52 PolarHBondContact O-N 2.84Å; F52-T56 PolarHBondContact O-N 3.16Å; F52-T56 PolarHBondContact O-OG1 3.32Å
53	L	45	Very low	44.2	Very low	90 Å²	90	105.7 Å²	105.7	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-73.3	-32.9	170.1	-79.2	163.1	0	0	0	112	Y49 T56 F57	Y49-L53 WeakPolarHBondContact O-CB 3.41Å; Y49-L53 WeakPolarHBondContact O-CD1 3.38Å; Y49-L53 WeakPolarHBondContact O-CG 3.26Å; Y49-L53 PolarHBondContact O-N 3.22Å; Y49-L53 VanDerWaalsContact O-N 3.12Å; L53-T56 PolarHBondContact O-OG1 3.36Å; L53-F57 HydrophobicContact CD2-CD2 4.25Å; L53-F57 HydrophobicContact CD2-CE2 3.94Å; L53-F57 VanDerWaalsContact O-CB 3.28Å; L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 VanDerWaalsContact O-CD2 3.26Å; L53-F57 WeakPolarHBondContact O-CD2 3.43Å; L53-F57 PolarHBondContact O-N 3.17Å
54	L	44.6	Very low	44.2	Very low	103 Å²	103	106.1 Å²	106.1	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-72.3	-35.2	177.1	-102.4	137.9	0	0	0	113.4	S50 Y51 T56 L58	S50-L54 WeakPolarHBondContact O-CB 3.33Å; S50-L54 WeakPolarHBondContact O-CD1 3.45Å; S50-L54 PolarHBondContact O-N 3.11Å; S50-L54 VanDerWaalsContact O-N 3.11Å; Y51-L54 PolarHBondContact O-N 3.28Å; L54-T56 VanDerWaalsContact C-N 3.34Å; L54-L58 HydrophobicContact CD2-CD1 4.06Å; L54-L58 WeakPolarHBondContact O-CB 3.45Å; L54-L58 WeakPolarHBondContact O-CD1 3.46Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.47Å; L54-L58 VanDerWaalsContact O-N 3.17Å
55	E	47.5	Very low	44.3	Very low	131 Å²	131	102.9 Å²	102.9	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-76.9	-16.3	175.6	-74	-148	167.1	0	0	114.5	Y51 P59	Y51-E55 HydrophobicContact CE1-CG 4.39Å; Y51-E55 PolarHBondContact O-N 2.99Å; Y51-E55 VanDerWaalsContact O-N 3.16Å; E55-P59 WeakPolarHBondContact O-CD 3.44Å; E55-P59 WeakPolarHBondContact O-CG 3.39Å
56	T	47.5	Very low	44.1	Very low	64 Å²	64	105.7 Å²	105.7	39%	0.393	54%	0.54	S	S	.	.	H	α-helix	trans	-94.4	-29.8	172.7	46.1	0	0	0	0	112.7	F52 L53 L54	F52-T56 PolarHBondContact O-N 3.16Å; F52-T56 PolarHBondContact O-OG1 3.32Å; L53-T56 PolarHBondContact O-OG1 3.36Å; L54-T56 VanDerWaalsContact C-N 3.34Å
57	F	44.9	Very low	43.9	Very low	111 Å²	111	107.8 Å²	107.8	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-80.3	-31.4	177.8	-92.3	-99.3	0	0	0	114.4	L53 Q60 M61	L53-F57 HydrophobicContact CD2-CD2 4.25Å; L53-F57 HydrophobicContact CD2-CE2 3.94Å; L53-F57 VanDerWaalsContact O-CB 3.28Å; L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 VanDerWaalsContact O-CD2 3.26Å; L53-F57 WeakPolarHBondContact O-CD2 3.43Å; L53-F57 PolarHBondContact O-N 3.17Å; F57-Q60 PolarHBondContact O-N 3.26Å; F57-M61 WeakPolarHBondContact O-CB 3.41Å; F57-M61 PolarHBondContact O-N 2.84Å
58	L	44.8	Very low	43.5	Very low	111 Å²	111	112.6 Å²	112.6	58%	0.581	55%	0.55	S	S	*	.	H	α-helix	trans	-65.7	-43.6	177.5	-81.5	163.5	0	0	0	114	L54 Q60 S62	L54-L58 HydrophobicContact CD2-CD1 4.06Å; L54-L58 WeakPolarHBondContact O-CB 3.45Å; L54-L58 WeakPolarHBondContact O-CD1 3.46Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.47Å; L54-L58 VanDerWaalsContact O-N 3.17Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; L58-S62 WeakPolarHBondContact O-CB 3.47Å; L58-S62 PolarHBondContact O-N 3.26Å; L58-S62 PolarHBondContact O-OG 2.89Å
59	P	47.7	Very low	43.2	Very low	67 Å²	67	118.9 Å²	118.9	44%	0.435	57%	0.567	S	S	.	*	H	α-helix	trans	-69.3	-30	171.8	23.2	-29.7	0	0	0	112.7	E55 S62 C63	E55-P59 WeakPolarHBondContact O-CD 3.44Å; E55-P59 WeakPolarHBondContact O-CG 3.39Å; P59-S62 VanDerWaalsContact CA-OG 3.31Å; P59-S62 WeakPolarHBondContact CA-OG 3.4Å; P59-S62 PolarHBondContact O-OG 3.4Å; P59-C63 VanDerWaalsContact O-CB 3.29Å; P59-C63 WeakPolarHBondContact O-CB 3.28Å; P59-C63 PolarHBondContact O-N 3.46Å; P59-C63 PolarHBondContact O-SG 3.31Å
60	Q	46.3	Very low	42.9	Very low	111 Å²	111	114.7 Å²	114.7	52%	0.519	56%	0.556	S	S	.	*	H	α-helix	trans	-71.7	-38.9	174.4	-80.8	176.5	-10.5	0	0	112.6	F57 L58 C63 F64	F57-Q60 PolarHBondContact O-N 3.26Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-C63 PolarHBondContact O-N 2.86Å; Q60-F64 WeakPolarHBondContact O-CB 3.31Å; Q60-F64 WeakPolarHBondContact O-CD2 3.29Å; Q60-F64 PolarHBondContact O-N 3.44Å
61	M	45.4	Very low	42.3	Very low	102 Å²	102	118 Å²	118	50%	0.502	58%	0.577	S	S	.	*	H	α-helix	trans	-73.8	-29.1	175.2	-81.2	-68	128.8	0	0	113.4	F57 F64 L65	F57-M61 WeakPolarHBondContact O-CB 3.41Å; F57-M61 PolarHBondContact O-N 2.84Å; M61-F64 HydrophobicContact CE-CB 4.45Å; M61-F64 HydrophobicContact CE-CD2 4.49Å; M61-F64 HydrophobicContact CE-CG 4.43Å; M61-F64 PolarHBondContact O-N 3.11Å; M61-L65 WeakPolarHBondContact O-CB 3.5Å; M61-L65 WeakPolarHBondContact O-CG 3.04Å; M61-L65 PolarHBondContact O-N 3.35Å
62	S	42.3	Very low	41.3	Very low	73 Å²	73	118.6 Å²	118.6	51%	0.51	58%	0.582	S	S	.	*	H	α-helix	trans	-77.8	-29.5	171.1	45	0	0	0	0	112.8	L58 P59 W66	L58-S62 WeakPolarHBondContact O-CB 3.47Å; L58-S62 PolarHBondContact O-N 3.26Å; L58-S62 PolarHBondContact O-OG 2.89Å; P59-S62 VanDerWaalsContact CA-OG 3.31Å; P59-S62 WeakPolarHBondContact CA-OG 3.4Å; P59-S62 PolarHBondContact O-OG 3.4Å; S62-W66 VanDerWaalsContact O-CB 3.25Å; S62-W66 WeakPolarHBondContact O-CB 3.3Å; S62-W66 PolarHBondContact O-N 3.04Å
63	C	44.2	Very low	40.7	Very low	74 Å²	74	118.9 Å²	118.9	50%	0.5	59%	0.591	S	S	.	*	H	α-helix	trans	-66.9	-35.5	163.2	-83.6	0	0	0	0	112.6	P59 Q60 Q67	P59-C63 VanDerWaalsContact O-CB 3.29Å; P59-C63 WeakPolarHBondContact O-CB 3.28Å; P59-C63 PolarHBondContact O-N 3.46Å; P59-C63 PolarHBondContact O-SG 3.31Å; Q60-C63 PolarHBondContact O-N 2.86Å; C63-Q67 VanDerWaalsContact O-CB 3.3Å; C63-Q67 WeakPolarHBondContact O-CB 3.18Å; C63-Q67 WeakPolarHBondContact O-CG 3.32Å; C63-Q67 PolarHBondContact O-N 2.86Å
64	F	39.8	Very low	40	Very low	122 Å²	122	123.3 Å²	123.3	54%	0.535	61%	0.606	S	S	.	*	H	α-helix	trans	-72.9	-36	176.8	-101.2	-89.7	0	0	0	112.9	Q60 M61 Q67 Y68	Q60-F64 WeakPolarHBondContact O-CB 3.31Å; Q60-F64 WeakPolarHBondContact O-CD2 3.29Å; Q60-F64 PolarHBondContact O-N 3.44Å; M61-F64 HydrophobicContact CE-CB 4.45Å; M61-F64 HydrophobicContact CE-CD2 4.49Å; M61-F64 HydrophobicContact CE-CG 4.43Å; M61-F64 PolarHBondContact O-N 3.11Å; F64-Q67 PolarHBondContact O-N 2.88Å; F64-Y68 PolarHBondContact O-N 3.48Å; F64-Y68 VanDerWaalsContact O-N 3.11Å
65	L	38.4	Very low	39.2	Very low	125 Å²	125	122.3 Å²	122.3	65%	0.654	61%	0.606	S	S	*	*	H	α-helix	trans	-75	-32.1	173.7	-74	167.4	0	0	0	112.4	M61 Y68 Q69	M61-L65 WeakPolarHBondContact O-CB 3.5Å; M61-L65 WeakPolarHBondContact O-CG 3.04Å; M61-L65 PolarHBondContact O-N 3.35Å; L65-Y68 PolarHBondContact O-N 3.24Å; L65-Q69 PolarHBondContact O-N 2.64Å
66	W	36.4	Very low	38.6	Very low	179 Å²	179	122.1 Å²	122.1	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-69.6	-36.2	169.1	-164.7	65.6	0	0	0	111.7	S62 Y68 Q69 L70	S62-W66 VanDerWaalsContact O-CB 3.25Å; S62-W66 WeakPolarHBondContact O-CB 3.3Å; S62-W66 PolarHBondContact O-N 3.04Å; W66-Y68 PolarHBondContact O-N 2.68Å; W66-Q69 PolarHBondContact O-N 2.99Å; W66-L70 PolarHBondContact O-N 3.39Å
67	Q	38	Very low	37.8	Very low	125 Å²	125	126.9 Å²	126.9	58%	0.584	63%	0.627	S	S	*	*	H	α-helix	trans	-66.5	-18.9	170.1	-86.4	-177.9	-26.5	0	0	113.9	C63 F64	C63-Q67 VanDerWaalsContact O-CB 3.3Å; C63-Q67 WeakPolarHBondContact O-CB 3.18Å; C63-Q67 WeakPolarHBondContact O-CG 3.32Å; C63-Q67 PolarHBondContact O-N 2.86Å; F64-Q67 PolarHBondContact O-N 2.88Å
68	Y	35.7	Very low	37.1	Very low	190 Å²	190	130.5 Å²	130.5	75%	0.745	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-5.6	175.8	-124.2	-92.7	0	0	0	114.5	F64 L65 W66	F64-Y68 PolarHBondContact O-N 3.48Å; F64-Y68 VanDerWaalsContact O-N 3.11Å; L65-Y68 PolarHBondContact O-N 3.24Å; W66-Y68 PolarHBondContact O-N 2.68Å
69	Q	36.5	Very low	36.5	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	12.4	171.5	-79.4	-162	-15.8	0	0	114.2	L65 W66	L65-Q69 PolarHBondContact O-N 2.64Å; W66-Q69 PolarHBondContact O-N 2.99Å
70	L	35.4	Very low	35.8	Very low	85 Å²	85	132.5 Å²	132.5	45%	0.445	66%	0.664	S	S	.	*	S	Bend	trans	-59.9	135.2	153.4	-72.9	165.7	0	0	0	107	W66 K72	W66-L70 PolarHBondContact O-N 3.39Å; L70-K72 PolarHBondContact O-N 2.58Å
71	P	33.3	Very low	35.3	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	68%	0.682	S	S	*	*			trans	-53.9	118	167.8	11.6	-10	0	0	0	104.8	L73	P71-L73 VanDerWaalsContact C-N 3.32Å; P71-L73 PolarHBondContact O-N 3.48Å
72	K	27.2	Very low	34.7	Very low	173 Å²	173	140.2 Å²	140.2	75%	0.752	69%	0.694	S	S	*	*			trans	-48.5	112.2	165.9	-72.9	-177	178.1	-178.8	0	103.8	L70 K74	L70-K72 PolarHBondContact O-N 2.58Å; K72-K74 PolarHBondContact O-N 3.08Å
73	L	34.5	Very low	34.4	Very low	169 Å²	169	141.4 Å²	141.4	89%	0.885	71%	0.708	S	S	*	*			trans	-45.5	108.8	152.5	-93.1	150.7	0	0	0	102.1	P71 P75	P71-L73 VanDerWaalsContact C-N 3.32Å; P71-L73 PolarHBondContact O-N 3.48Å; L73-P75 VanDerWaalsContact O-N 3.08Å
74	K	28.7	Very low	34.5	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.796	73%	0.726	S	S	*	*			trans	-48.2	129.1	171.8	-72.2	-179.2	176	-177.9	0	103.2	K72 D76	K72-K74 PolarHBondContact O-N 3.08Å; K74-D76 PolarHBondContact O-N 3.39Å
75	P	29.6	Very low	35.3	Very low	82 Å²	82	145 Å²	145	53%	0.532	74%	0.736	S	S	.	*			trans	-47.3	145.8	160.8	24.4	-31.5	0	0	0	105.8	L73 E77	L73-P75 VanDerWaalsContact O-N 3.08Å; P75-E77 HydrophobicContact CB-CG 4.17Å; P75-E77 HydrophobicContact CG-CB 4.47Å; P75-E77 HydrophobicContact CG-CG 3.88Å; P75-E77 PolarHBondContact O-N 3.38Å
76	D	34.1	Very low	36.9	Very low	128 Å²	128	144.1 Å²	144.1	68%	0.684	73%	0.729	S	S	*	*	S	Bend	trans	-58.9	60.4	173.2	-80.9	-39.7	0	0	0	110.7	K74 E78 M79	K74-D76 PolarHBondContact O-N 3.39Å; D76-E78 PolarHBondContact O-N 2.94Å; D76-M79 HydrophobicContact CB-CB 3.86Å; D76-M79 PolarHBondContact O-N 3.36Å
77	E	30.8	Very low	39.1	Very low	164 Å²	164	140.6 Å²	140.6	77%	0.766	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	27.4	175	-80.2	-172.5	160.4	0	0	109.8	P75	P75-E77 HydrophobicContact CB-CG 4.17Å; P75-E77 HydrophobicContact CG-CB 4.47Å; P75-E77 HydrophobicContact CG-CG 3.88Å; P75-E77 PolarHBondContact O-N 3.38Å
78	E	30.1	Very low	41.3	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	17.3	144.6	-75.3	-168.6	168.6	0	0	111.9	D76	D76-E78 PolarHBondContact O-N 2.94Å
79	M	32	Very low	43.6	Very low	158 Å²	158	128.7 Å²	128.7	78%	0.778	67%	0.673	S	S	*	*	S	Bend	trans	-107	26.6	168.5	-130.5	176.6	90.3	0	0	111.9	D76	D76-M79 HydrophobicContact CB-CB 3.86Å; D76-M79 PolarHBondContact O-N 3.36Å
80	G	33.9	Very low	45.8	Very low	62 Å²	62	121.9 Å²	121.9	64%	0.639	64%	0.643	S	S	*	*	S	Bend	trans	-130.2	35.6	178.1	0	0	0	0	0	112.7
81	R	35.1	Very low	48.1	Very low	234 Å²	234	124.1 Å²	124.1	88%	0.883	65%	0.646	S	S	*	*	S	Bend	trans	-171.1	56.6	164	-112.4	-178.3	-113.6	-171.4	-2.8	112
82	N	32.6	Very low	50.6	Low	141 Å²	141	120 Å²	120	75%	0.754	62%	0.616	S	S	*	*			trans	-138.6	113.5	150.5	-86.1	-31.7	0	0	0	105.8	N84	N82-N84 PolarHBondContact O-N 2.85Å
83	A	36.8	Very low	53.5	Low	97 Å²	97	112.1 Å²	112.1	80%	0.802	58%	0.583	S	S	*	*			trans	-46.7	130.1	159.9	0	0	0	0	0	107.4	S85	A83-S85 VanDerWaalsContact C-N 3.3Å; A83-S85 PolarHBondContact O-N 2.81Å
84	N	45.1	Very low	55.9	Low	165 Å²	165	109.3 Å²	109.3	88%	0.882	57%	0.565	S	S	*	*			trans	-42.9	87.3	-179.7	-71.5	-34.2	0	0	0	111.9	N82 E86	N82-N84 PolarHBondContact O-N 2.85Å; N84-E86 PolarHBondContact O-N 3.09Å
85	S	57.7	Low	58.7	Low	106 Å²	106	102.8 Å²	102.8	74%	0.741	54%	0.541	S	S	*	.			trans	-79.5	100	165.9	64.2	0	0	0	0	105.2	A83 M87	A83-S85 VanDerWaalsContact C-N 3.3Å; A83-S85 PolarHBondContact O-N 2.81Å; S85-M87 PolarHBondContact O-N 2.89Å
86	E	70.7	Confident	61.5	Low	108 Å²	108	100.7 Å²	100.7	51%	0.505	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-49.6	128.8	170.9	-67.1	-179.3	159.9	0	0	108.8	N84 M88 P552	N84-E86 PolarHBondContact O-N 3.09Å; E86-M88 PolarHBondContact O-N 2.98Å; E86-P552 HydrophobicContact CB-CB 4.31Å
87	M	82.4	Confident	63.9	Low	105 Å²	105	100.4 Å²	100.4	52%	0.517	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-64.2	120.5	177.4	-177.4	179.2	155.1	0	0	108.1	S85 R91 C553	S85-M87 PolarHBondContact O-N 2.89Å; M87-R91 HydrophobicContact CE-CB 4.13Å; M87-R91 HydrophobicContact CE-CG 4.13Å; M87-C553 PolarHBondContact O-N 2.89Å; M87-C553 PolarHBondContact O-SG 2.8Å
88	M	85.6	Confident	66.5	Low	65 Å²	65	94 Å²	94	32%	0.32	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.8	-177.6	-60.6	-61	-71	0	0	111.3	E86 E550 Y551 P552 C553	E86-M88 PolarHBondContact O-N 2.98Å; M88-E550 HydrophobicContact CE-CB 3.82Å; M88-Y551 CarbonylContact C-O 3.56Å; M88-Y551 WeakPolarHBondContact CA-O 3.13Å; M88-P552 HydrophobicContact SD-CB 4.38Å; M88-C553 PolarHBondContact O-SG 3.12Å; M88-C553 VanDerWaalsContact O-SG 3.39Å
89	C	84.3	Confident	69	Low	0 Å²	0	93.9 Å²	93.9	0%	0	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.3	-178	-88.9	0	0	0	0	112	E550 Y551 C553 E565	C89-E550 VanDerWaalsContact O-CA 3.3Å; C89-E550 WeakPolarHBondContact O-CA 3.19Å; C89-Y551 HydrophobicContact CB-CD2 3.76Å; C89-Y551 HydrophobicContact CB-CE2 3.26Å; C89-Y551 PolarHBondContact N-O 3.16Å; C89-Y551 PolarHBondContact O-N 3.39Å; C89-C553 HydrophobicContact CB-CB 3.91Å; C89-C553 WeakPolarHBondContact CB-SG 3.4Å; C89-C553 PolarHBondContact N-SG 3.35Å; C89-C553 VanDerWaalsContact SG-CA 3.53Å; C89-C553 WeakPolarHBondContact SG-CB 3.25Å; C89-C553 CovalentContact SG-SG 2.02Å; C89-C553 PolarHBondContact SG-SG 2.93Å; C89-E565 HydrophobicContact CB-CB 4.27Å
90	P	82.6	Confident	71.2	Confident	30 Å²	30	92 Å²	92	20%	0.195	49%	0.49	C	S	.	.			cis	-66.5	138.2	-1.9	28.9	-35.9	0	0	0	111.4	F92 R476	P90-F92 PolarHBondContact O-N 3.24Å; P90-R476 PolarHBondContact O-NH1 3.16Å; P90-R476 PolarHBondContact O-NH2 2.83Å
91	R	82.1	Confident	73.4	Confident	132 Å²	132	94.7 Å²	94.7	50%	0.498	50%	0.496	S	S	.	.	S	Bend	trans	-57.1	-39.5	179.3	-178.2	-179.5	-180	164.7	0.8	110.6	M87 R476	M87-R91 HydrophobicContact CE-CB 4.13Å; M87-R91 HydrophobicContact CE-CG 4.13Å; R91-R476 PolarHBondContact O-NH2 3.22Å
92	F	87.1	Confident	75.7	Confident	32 Å²	32	84.4 Å²	84.4	14%	0.14	46%	0.459	C	S	.	.	S	Bend	trans	-119.7	112.9	175.9	-54.2	-64.6	0	0	0	108.3	P90 G418 Y419	P90-F92 PolarHBondContact O-N 3.24Å; F92-G418 WeakPolarHBondContact CZ-O 3.2Å; F92-Y419 HydrophobicContact CB-CE1 3.98Å; F92-Y419 HydrophobicContact CD1-CD1 4Å; F92-Y419 HydrophobicContact CD1-CD2 4.2Å; F92-Y419 AromaticContact CD1-CE1 3.41Å; F92-Y419 HydrophobicContact CD1-CE1 3.41Å; F92-Y419 VanDerWaalsContact CD1-CE1 3.41Å; F92-Y419 AromaticContact CD1-CE2 3.62Å; F92-Y419 HydrophobicContact CD1-CE2 3.62Å; F92-Y419 HydrophobicContact CD1-CG 4.37Å; F92-Y419 AromaticContact CD1-CZ 3.21Å; F92-Y419 WeakPolarHBondContact CD1-OH 3.32Å; F92-Y419 HydrophobicContact CE1-CD1 4.23Å; F92-Y419 HydrophobicContact CE1-CD2 4.06Å; F92-Y419 HydrophobicContact CE1-CE1 4.08Å; F92-Y419 AromaticContact CE1-CE2 3.88Å; F92-Y419 HydrophobicContact CE1-CE2 3.88Å; F92-Y419 HydrophobicContact CE1-CG 4.24Å; F92-Y419 AromaticContact CE1-CZ 3.91Å; F92-Y419 AromaticContact CG-CE1 3.93Å; F92-Y419 HydrophobicContact CG-CE1 3.93Å
93	P	87.7	Confident	78.2	Confident	7 Å²	7	82.8 Å²	82.8	5%	0.045	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.9	-177.9	27.4	-32.5	0	0	0	111	E472 F475 R476	P93-E472 HydrophobicContact CG-CB 4.11Å; P93-E472 HydrophobicContact CG-CG 4.08Å; P93-F475 HydrophobicContact CB-CB 3.83Å; P93-F475 HydrophobicContact CG-CB 4.01Å; P93-F475 HydrophobicContact CG-CD2 4.28Å; P93-R476 HydrophobicContact CB-CG 4.04Å; P93-R476 HydrophobicContact CG-CG 4.3Å
94	E	84.9	Confident	80.6	Confident	110 Å²	110	79.3 Å²	79.3	51%	0.514	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-68.9	132.2	174.1	-171.2	167.6	-177.9	0	0	109	L96 R544	E94-L96 PolarHBondContact O-N 3.06Å; E94-R544 IonicContact OE1-NH1 2.65Å; E94-R544 IonicContact OE2-NH1 3.72Å; E94-R544 IonicContact OE2-NH2 3.67Å
95	P	88.3	Confident	82.8	Confident	46 Å²	46	71.6 Å²	71.6	30%	0.299	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.8	122.2	174	-24.4	34.7	0	0	0	110.8	R440 K442 F475	P95-R440 WeakPolarHBondContact CG-O 3.37Å; P95-K442 HydrophobicContact CB-CG 4.05Å; P95-K442 HydrophobicContact CG-CG 4.15Å; P95-F475 HydrophobicContact CB-CE1 4.31Å; P95-F475 HydrophobicContact CB-CE2 4.01Å; P95-F475 HydrophobicContact CB-CZ 3.79Å; P95-F475 HydrophobicContact CG-CE2 4.27Å
96	L	87	Confident	84.4	Confident	38 Å²	38	73 Å²	73	20%	0.199	38%	0.377	C	S	.	.			trans	-116.6	151	177.5	-65.7	173.6	0	0	0	109.9	E94 L98 F475 A478 K480	E94-L96 PolarHBondContact O-N 3.06Å; L96-L98 PolarHBondContact O-N 3.29Å; L96-F475 HydrophobicContact CB-CD1 4.42Å; L96-F475 VanDerWaalsContact O-CE1 3.27Å; L96-F475 WeakPolarHBondContact O-CE1 3.45Å; L96-A478 HydrophobicContact CB-CB 4.23Å; L96-A478 HydrophobicContact CD1-CB 4.03Å; L96-K480 HydrophobicContact CD1-CG 3.93Å
97	P	84.8	Confident	85.5	Confident	121 Å²	121	73.2 Å²	73.2	79%	0.786	38%	0.378	S	S	*	.			trans	-55.2	129.2	167.3	-22.4	33.7	0	0	0	109.9
98	L	86.1	Confident	86.2	Confident	31 Å²	31	68.5 Å²	68.5	16%	0.162	36%	0.355	C	S	.	.			trans	-107	135.6	-178.8	-63.2	-179.8	0	0	0	110	L96 I102 L134 A474 F475 A478	L96-L98 PolarHBondContact O-N 3.29Å; L98-I102 HydrophobicContact CB-CD1 3.47Å; L98-I102 VanDerWaalsContact CB-CD1 3.47Å; L98-I102 HydrophobicContact CB-CG1 4.02Å; L98-I102 HydrophobicContact CD1-CD1 3.62Å; L98-I102 HydrophobicContact CD1-CG1 4.44Å; L98-I102 HydrophobicContact CG-CD1 4.18Å; L98-L134 HydrophobicContact CD1-CD2 3.89Å; L98-A474 HydrophobicContact CD1-CB 3.82Å; L98-A474 HydrophobicContact CD2-CB 4.2Å; L98-F475 HydrophobicContact CD1-CD1 4.01Å; L98-F475 HydrophobicContact CD1-CE1 3.75Å; L98-F475 HydrophobicContact CD2-CD1 3.79Å; L98-F475 HydrophobicContact CD2-CE1 4.18Å; L98-F475 HydrophobicContact CG-CD1 4.03Å; L98-F475 HydrophobicContact CG-CE1 3.88Å; L98-A478 HydrophobicContact CD2-CB 3.73Å
99	E	81.6	Confident	86.7	Confident	184 Å²	184	66.3 Å²	66.3	86%	0.86	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-79.4	130.4	173.3	-66.8	-177.1	-179	0	0	110.1	I102	E99-I102 VanDerWaalsContact O-CG1 3.31Å; E99-I102 WeakPolarHBondContact O-CG1 3.31Å
100	H	79.1	Confident	87.3	Confident	118 Å²	118	71.2 Å²	71.2	55%	0.546	37%	0.368	S	S	.	.	S	Bend	trans	-91.6	144.6	179.6	-72.2	-91.1	0	0	0	111.6
101	P	80.3	Confident	88	Confident	119 Å²	119	73.9 Å²	73.9	77%	0.773	38%	0.376	S	S	*	.	S	Bend	cis	-81.5	149.6	-0.1	33.2	-34.8	0	0	0	113	P103	P101-P103 WeakPolarHBondContact O-CD 3.25Å
102	I	83.9	Confident	88.8	Confident	18 Å²	18	67.6 Å²	67.6	9%	0.092	35%	0.353	C	S	.	.			trans	-102	102.4	-179.1	-55.4	153.8	0	0	0	108.5	L98 E99 S104 L105 K106 A474	L98-I102 HydrophobicContact CB-CD1 3.47Å; L98-I102 VanDerWaalsContact CB-CD1 3.47Å; L98-I102 HydrophobicContact CB-CG1 4.02Å; L98-I102 HydrophobicContact CD1-CD1 3.62Å; L98-I102 HydrophobicContact CD1-CG1 4.44Å; L98-I102 HydrophobicContact CG-CD1 4.18Å; E99-I102 VanDerWaalsContact O-CG1 3.31Å; E99-I102 WeakPolarHBondContact O-CG1 3.31Å; I102-S104 PolarHBondContact O-N 2.97Å; I102-L105 HydrophobicContact CB-CB 4.12Å; I102-L105 HydrophobicContact CB-CD1 3.99Å; I102-L105 HydrophobicContact CB-CG 4.42Å; I102-L105 HydrophobicContact CD1-CD1 3.63Å; I102-L105 HydrophobicContact CG1-CD1 4.42Å; I102-L105 HydrophobicContact CG2-CB 4.04Å; I102-L105 HydrophobicContact CG2-CD1 3.84Å; I102-L105 HydrophobicContact CG2-CG 4Å; I102-L105 PolarHBondContact O-N 3.18Å; I102-L105 VanDerWaalsContact O-N 3.14Å; I102-K106 PolarHBondContact O-N 3.48Å; I102-A474 HydrophobicContact CG2-CB 3.72Å
103	P	85	Confident	89.3	Confident	107 Å²	107	67.6 Å²	67.6	70%	0.695	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-38.2	-168.9	-25.5	36.2	0	0	0	114	P101 L105 K106	P101-P103 WeakPolarHBondContact O-CD 3.25Å; P103-L105 VanDerWaalsContact C-N 3.26Å; P103-L105 PolarHBondContact O-N 3.33Å; P103-K106 WeakPolarHBondContact O-CB 3.37Å; P103-K106 PolarHBondContact O-N 2.73Å
104	S	86.8	Confident	89.8	Confident	23 Å²	23	70.3 Å²	70.3	16%	0.161	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-37.7	177.9	57.2	0	0	0	0	112.3	I102 A470	I102-S104 PolarHBondContact O-N 2.97Å; S104-A470 WeakPolarHBondContact O-CB 3.44Å; S104-A470 PolarHBondContact OG-O 3.26Å; S104-A470 VanDerWaalsContact OG-O 3.12Å
105	L	90.6	Very high	90.4	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-72.2	-34.2	178.2	-85.4	174.3	0	0	0	112.2	I102 P103 E107 A108 L109 L139 I467 A470 I471	I102-L105 HydrophobicContact CB-CB 4.12Å; I102-L105 HydrophobicContact CB-CD1 3.99Å; I102-L105 HydrophobicContact CB-CG 4.42Å; I102-L105 HydrophobicContact CD1-CD1 3.63Å; I102-L105 HydrophobicContact CG1-CD1 4.42Å; I102-L105 HydrophobicContact CG2-CB 4.04Å; I102-L105 HydrophobicContact CG2-CD1 3.84Å; I102-L105 HydrophobicContact CG2-CG 4Å; I102-L105 PolarHBondContact O-N 3.18Å; I102-L105 VanDerWaalsContact O-N 3.14Å; P103-L105 VanDerWaalsContact C-N 3.26Å; P103-L105 PolarHBondContact O-N 3.33Å; L105-E107 PolarHBondContact O-N 3.28Å; L105-A108 PolarHBondContact O-N 2.96Å; L105-L109 HydrophobicContact CB-CD1 4.4Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.1Å; L105-L139 HydrophobicContact CD1-CD1 3.89Å; L105-L139 HydrophobicContact CD2-CD1 4.38Å; L105-I467 HydrophobicContact CD2-CG2 4.3Å; L105-A470 HydrophobicContact CD2-CB 4.12Å; L105-I471 HydrophobicContact CD1-CG1 4.25Å; L105-I471 HydrophobicContact CD2-CD1 4.17Å; L105-I471 HydrophobicContact CD2-CG1 3.45Å; L105-I471 VanDerWaalsContact CD2-CG1 3.45Å; L105-I471 HydrophobicContact CG-CG1 4.2Å
106	K	91.6	Very high	90.9	Very high	135 Å²	135	63.3 Å²	63.3	59%	0.587	33%	0.334	S	S	*	.	H	α-helix	trans	-56.3	-51.6	179.9	-174.2	-176.9	174.7	-173.6	0	111.7	I102 P103 A108 L109 E110	I102-K106 PolarHBondContact O-N 3.48Å; P103-K106 WeakPolarHBondContact O-CB 3.37Å; P103-K106 PolarHBondContact O-N 2.73Å; K106-A108 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 2.97Å; K106-L109 PolarHBondContact O-N 2.87Å; K106-E110 VanDerWaalsContact CE-OE1 3.24Å; K106-E110 WeakPolarHBondContact CE-OE1 3.46Å; K106-E110 WeakPolarHBondContact O-CG 3.37Å; K106-E110 PolarHBondContact O-N 3.18Å
107	E	92.8	Very high	91.3	Very high	113 Å²	113	68.6 Å²	68.6	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-39.7	179.4	-168.6	-163.7	148.5	0	0	111.9	L105 E110 K111	L105-E107 PolarHBondContact O-N 3.28Å; E107-E110 PolarHBondContact O-N 3.06Å; E107-K111 WeakPolarHBondContact O-CG 3.44Å; E107-K111 PolarHBondContact O-N 3.2Å; E107-K111 WeakPolarHBondContact OE1-CE 3.49Å; E107-K111 IonicContact OE1-NZ 3.2Å; E107-K111 PolarHBondContact OE1-NZ 3.3Å
108	A	96.9	Very high	91.9	Very high	5 Å²	5	70 Å²	70	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.7	0	0	0	0	0	112	L105 K106 K111 V112 Y466 A470	L105-A108 PolarHBondContact O-N 2.96Å; K106-A108 VanDerWaalsContact C-N 3.33Å; K106-A108 PolarHBondContact O-N 2.97Å; A108-K111 WeakPolarHBondContact O-CB 3.47Å; A108-K111 PolarHBondContact O-N 2.99Å; A108-V112 WeakPolarHBondContact O-CG2 3.39Å; A108-V112 PolarHBondContact O-N 2.86Å; A108-Y466 VanDerWaalsContact CB-O 3.28Å; A108-Y466 WeakPolarHBondContact CB-O 3.46Å; A108-A470 HydrophobicContact CB-CB 3.68Å
109	L	97.1	Very high	92.3	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.099	35%	0.345	C	S	.	.	H	α-helix	trans	-69.7	-32.6	179.4	-67.5	169	0	0	0	112.1	L105 K106 K111 V112 D113 V132 L139 W140	L105-L109 HydrophobicContact CB-CD1 4.4Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.1Å; K106-L109 PolarHBondContact O-N 2.87Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-V112 WeakPolarHBondContact O-CB 3.01Å; L109-V112 PolarHBondContact O-N 3.29Å; L109-D113 PolarHBondContact O-N 2.81Å; L109-V132 HydrophobicContact CD2-CB 4.26Å; L109-V132 HydrophobicContact CD2-CG1 4.26Å; L109-V132 HydrophobicContact CD2-CG2 4.14Å; L109-L139 HydrophobicContact CD1-CB 4.23Å; L109-W140 HydrophobicContact CB-CG 4.43Å; L109-W140 HydrophobicContact CD1-CB 4.05Å; L109-W140 HydrophobicContact CD2-CB 3.64Å; L109-W140 HydrophobicContact CD2-CG 4.09Å; L109-W140 HydrophobicContact CG-CB 4.25Å
110	E	97	Very high	93	Very high	103 Å²	103	62.3 Å²	62.3	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-40.7	170.1	-74	170.8	-176.3	0	0	111.7	K106 E107 V112 D113 V114	K106-E110 VanDerWaalsContact CE-OE1 3.24Å; K106-E110 WeakPolarHBondContact CE-OE1 3.46Å; K106-E110 WeakPolarHBondContact O-CG 3.37Å; K106-E110 PolarHBondContact O-N 3.18Å; E107-E110 PolarHBondContact O-N 3.06Å; E110-V112 VanDerWaalsContact C-N 3.32Å; E110-V112 PolarHBondContact O-N 2.9Å; E110-D113 PolarHBondContact O-N 3.11Å; E110-V114 WeakPolarHBondContact O-CG2 3.38Å; E110-V114 PolarHBondContact O-N 2.71Å
111	K	97.7	Very high	93.8	Very high	86 Å²	86	59.9 Å²	59.9	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-36.6	173.9	-68.5	172	-173	165.3	0	112.2	E107 A108 L109 L115 Y466	E107-K111 WeakPolarHBondContact O-CG 3.44Å; E107-K111 PolarHBondContact O-N 3.2Å; E107-K111 WeakPolarHBondContact OE1-CE 3.49Å; E107-K111 IonicContact OE1-NZ 3.2Å; E107-K111 PolarHBondContact OE1-NZ 3.3Å; A108-K111 WeakPolarHBondContact O-CB 3.47Å; A108-K111 PolarHBondContact O-N 2.99Å; L109-K111 VanDerWaalsContact C-N 3.34Å; K111-L115 VanDerWaalsContact O-CB 3.31Å; K111-L115 WeakPolarHBondContact O-CB 3.46Å; K111-L115 PolarHBondContact O-N 3.03Å; K111-Y466 HydrophobicContact CB-CD1 4.12Å; K111-Y466 HydrophobicContact CB-CD2 3.8Å; K111-Y466 HydrophobicContact CB-CE1 4.31Å; K111-Y466 HydrophobicContact CB-CE2 4.02Å; K111-Y466 HydrophobicContact CB-CG 3.85Å; K111-Y466 HydrophobicContact CD-CD1 3.75Å; K111-Y466 HydrophobicContact CD-CE1 3.94Å; K111-Y466 HydrophobicContact CD-CG 4.26Å
112	V	98.2	Very high	94.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-42.4	174.5	173.1	0	0	0	0	111.1	A108 L109 E110 L115 F116 W140 A463 Y466 I467	A108-V112 WeakPolarHBondContact O-CG2 3.39Å; A108-V112 PolarHBondContact O-N 2.86Å; L109-V112 WeakPolarHBondContact O-CB 3.01Å; L109-V112 PolarHBondContact O-N 3.29Å; E110-V112 VanDerWaalsContact C-N 3.32Å; E110-V112 PolarHBondContact O-N 2.9Å; V112-L115 WeakPolarHBondContact O-CB 3.43Å; V112-L115 PolarHBondContact O-N 2.83Å; V112-F116 HydrophobicContact CG1-CD2 3.61Å; V112-F116 HydrophobicContact CG1-CE2 3.36Å; V112-F116 HydrophobicContact CG1-CZ 4.4Å; V112-F116 VanDerWaalsContact O-CD2 3.31Å; V112-F116 WeakPolarHBondContact O-CD2 3.42Å; V112-F116 PolarHBondContact O-N 3.43Å; V112-W140 HydrophobicContact CG1-CE3 4.42Å; V112-W140 HydrophobicContact CG1-CH2 4.21Å; V112-W140 HydrophobicContact CG1-CZ3 4.14Å; V112-A463 HydrophobicContact CG1-CB 4.33Å; V112-A463 HydrophobicContact CG2-CB 4.18Å; V112-Y466 HydrophobicContact CG2-CD2 4.35Å; V112-I467 HydrophobicContact CG2-CD1 3.86Å; V112-I467 HydrophobicContact CG2-CG1 3.77Å
113	D	98.3	Very high	94.9	Very high	33 Å²	33	63.3 Å²	63.3	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-48.2	175.7	-174.2	88.8	0	0	0	111.5	L109 E110 L115 F116 R117 W140 F144	L109-D113 PolarHBondContact O-N 2.81Å; E110-D113 PolarHBondContact O-N 3.11Å; D113-L115 PolarHBondContact O-N 3.26Å; D113-F116 PolarHBondContact O-N 3.15Å; D113-R117 VanDerWaalsContact O-CB 3.31Å; D113-R117 WeakPolarHBondContact O-CB 3.37Å; D113-R117 PolarHBondContact O-N 2.99Å; D113-R117 IonicContact OD1-NH2 3.62Å; D113-R117 IonicContact OD2-CZ 3.1Å; D113-R117 IonicContact OD2-NE 2.89Å; D113-R117 IonicContact OD2-NH1 3.63Å; D113-R117 IonicContact OD2-NH2 3.63Å; D113-R117 PolarHBondContact OD2-NH2 2.92Å; D113-W140 HydrophobicContact CB-CZ2 3.96Å; D113-F144 WeakPolarHBondContact OD1-CZ 3.4Å
114	V	98	Very high	95.4	Very high	64 Å²	64	59.5 Å²	59.5	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-44.3	176.2	173	0	0	0	0	111.3	E110 F116 R117 Q118	E110-V114 WeakPolarHBondContact O-CG2 3.38Å; E110-V114 PolarHBondContact O-N 2.71Å; V114-F116 PolarHBondContact O-N 2.92Å; V114-R117 PolarHBondContact O-N 2.88Å; V114-Q118 HydrophobicContact CG1-CG 4.28Å; V114-Q118 WeakPolarHBondContact O-CB 3.4Å; V114-Q118 VanDerWaalsContact O-CG 3.26Å; V114-Q118 WeakPolarHBondContact O-CG 3.22Å; V114-Q118 PolarHBondContact O-N 3.27Å
115	L	97.8	Very high	95.9	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-56.2	-49.5	178.1	171	67.1	0	0	0	111.7	K111 V112 D113 S119 K462 A463 Y466	K111-L115 VanDerWaalsContact O-CB 3.31Å; K111-L115 WeakPolarHBondContact O-CB 3.46Å; K111-L115 PolarHBondContact O-N 3.03Å; V112-L115 WeakPolarHBondContact O-CB 3.43Å; V112-L115 PolarHBondContact O-N 2.83Å; D113-L115 PolarHBondContact O-N 3.26Å; L115-S119 PolarHBondContact O-N 3.33Å; L115-S119 VanDerWaalsContact O-N 3.13Å; L115-S119 PolarHBondContact O-OG 3.44Å; L115-K462 HydrophobicContact CD1-CB 4.41Å; L115-K462 HydrophobicContact CD1-CG 3.9Å; L115-K462 HydrophobicContact CD2-CB 3.92Å; L115-K462 HydrophobicContact CD2-CG 3.86Å; L115-A463 HydrophobicContact CD2-CB 4Å; L115-Y466 HydrophobicContact CD2-CE2 4.48Å
116	F	97.4	Very high	96.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-74	-37	-178.4	-70.2	-47.9	0	0	0	112.5	V112 D113 V114 Q118 S119 I120 L128 A130 W140 F144 L445 I447 V459 A463	V112-F116 HydrophobicContact CG1-CD2 3.61Å; V112-F116 HydrophobicContact CG1-CE2 3.36Å; V112-F116 HydrophobicContact CG1-CZ 4.4Å; V112-F116 VanDerWaalsContact O-CD2 3.31Å; V112-F116 WeakPolarHBondContact O-CD2 3.42Å; V112-F116 PolarHBondContact O-N 3.43Å; D113-F116 PolarHBondContact O-N 3.15Å; V114-F116 PolarHBondContact O-N 2.92Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-Q118 PolarHBondContact O-N 2.97Å; F116-S119 WeakPolarHBondContact O-CB 3.39Å; F116-S119 PolarHBondContact O-N 2.87Å; F116-S119 VanDerWaalsContact O-N 3.07Å; F116-I120 PolarHBondContact O-N 3.47Å; F116-L128 HydrophobicContact CB-CD2 4.08Å; F116-L128 HydrophobicContact CD1-CD1 4.25Å; F116-L128 HydrophobicContact CD1-CD2 4.24Å; F116-L128 HydrophobicContact CG-CD2 4.18Å; F116-A130 HydrophobicContact CD2-CB 4.16Å; F116-A130 HydrophobicContact CE2-CB 3.95Å; F116-A130 HydrophobicContact CZ-CB 4.4Å; F116-W140 AromaticContact CD2-CH2 3.58Å; F116-W140 HydrophobicContact CD2-CH2 3.58Å; F116-W140 AromaticContact CD2-CZ3 3.99Å; F116-W140 HydrophobicContact CD2-CZ3 3.99Å; F116-W140 HydrophobicContact CE2-CH2 4.14Å; F116-W140 HydrophobicContact CE2-CZ3 4.07Å; F116-F144 HydrophobicContact CB-CD2 3.93Å; F116-F144 HydrophobicContact CB-CE2 3.45Å; F116-F144 VanDerWaalsContact CB-CE2 3.45Å; F116-F144 HydrophobicContact CB-CZ 3.98Å; F116-F144 HydrophobicContact CG-CE2 4.43Å; F116-L445 HydrophobicContact CE2-CD1 4.49Å; F116-L445 HydrophobicContact CZ-CD1 4.42Å; F116-I447 HydrophobicContact CE1-CD1 3.62Å; F116-I447 HydrophobicContact CE1-CG1 4.32Å; F116-I447 HydrophobicContact CZ-CD1 3.56Å; F116-I447 HydrophobicContact CZ-CG1 4.04Å; F116-V459 HydrophobicContact CD1-CB 4.46Å; F116-V459 HydrophobicContact CE1-CB 3.93Å; F116-V459 HydrophobicContact CE1-CG2 4.04Å; F116-A463 HydrophobicContact CE2-CB 4.43Å; F116-A463 HydrophobicContact CZ-CB 4.04Å
117	R	96.8	Very high	96.5	Very high	148 Å²	148	52.1 Å²	52.1	56%	0.558	26%	0.262	S	S	*	.	H	α-helix	trans	-58.6	-43	172.6	-172.8	176.9	-65.9	149.6	9.5	112	D113 V114 S119 I120 F144	D113-R117 VanDerWaalsContact O-CB 3.31Å; D113-R117 WeakPolarHBondContact O-CB 3.37Å; D113-R117 PolarHBondContact O-N 2.99Å; D113-R117 IonicContact OD1-NH2 3.62Å; D113-R117 IonicContact OD2-CZ 3.1Å; D113-R117 IonicContact OD2-NE 2.89Å; D113-R117 IonicContact OD2-NH1 3.63Å; D113-R117 IonicContact OD2-NH2 3.63Å; D113-R117 PolarHBondContact OD2-NH2 2.92Å; V114-R117 PolarHBondContact O-N 2.88Å; R117-S119 VanDerWaalsContact C-N 3.25Å; R117-S119 PolarHBondContact O-N 2.85Å; R117-I120 PolarHBondContact O-N 2.86Å; R117-F144 HydrophobicContact CB-CD1 3.8Å; R117-F144 HydrophobicContact CB-CE1 3.78Å; R117-F144 HydrophobicContact CG-CD1 4.19Å; R117-F144 HydrophobicContact CG-CE1 4.47Å
118	Q	95.9	Very high	96.7	Very high	151 Å²	151	46.7 Å²	46.7	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-73	-17.5	177.4	-71.7	177.2	-9.8	0	0	113.5	V114 F116 I120	V114-Q118 HydrophobicContact CG1-CG 4.28Å; V114-Q118 WeakPolarHBondContact O-CB 3.4Å; V114-Q118 VanDerWaalsContact O-CG 3.26Å; V114-Q118 WeakPolarHBondContact O-CG 3.22Å; V114-Q118 PolarHBondContact O-N 3.27Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-Q118 PolarHBondContact O-N 2.97Å; Q118-I120 VanDerWaalsContact C-N 3.33Å
119	S	95.8	Very high	96.8	Very high	16 Å²	16	46.5 Å²	46.5	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-78.4	-19.1	177.6	-62.8	0	0	0	0	112.8	L115 F116 R117 N121	L115-S119 PolarHBondContact O-N 3.33Å; L115-S119 VanDerWaalsContact O-N 3.13Å; L115-S119 PolarHBondContact O-OG 3.44Å; F116-S119 WeakPolarHBondContact O-CB 3.39Å; F116-S119 PolarHBondContact O-N 2.87Å; F116-S119 VanDerWaalsContact O-N 3.07Å; R117-S119 VanDerWaalsContact C-N 3.25Å; R117-S119 PolarHBondContact O-N 2.85Å; S119-N121 PolarHBondContact O-N 3.03Å
120	I	96.4	Very high	96.9	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.195	23%	0.23	C	C	.	.			trans	-61.4	134.5	176.6	-70.2	-62.1	0	0	0	110.7	F116 R117 Q118 L128 F144	F116-I120 PolarHBondContact O-N 3.47Å; R117-I120 PolarHBondContact O-N 2.86Å; Q118-I120 VanDerWaalsContact C-N 3.33Å; I120-L128 HydrophobicContact CD1-CB 3.71Å; I120-F144 HydrophobicContact CD1-CB 3.84Å; I120-F144 HydrophobicContact CG1-CB 3.56Å
121	N	95.3	Very high	97	Very high	67 Å²	67	40.8 Å²	40.8	36%	0.358	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-127.9	115.9	169.6	-178.1	-55.5	0	0	0	107.9	S119 I123 S124 L125	S119-N121 PolarHBondContact O-N 3.03Å; N121-I123 PolarHBondContact O-N 3.47Å; N121-I123 WeakPolarHBondContact OD1-CA 2.84Å; N121-I123 WeakPolarHBondContact OD1-CB 3.06Å; N121-I123 PolarHBondContact OD1-N 3.39Å; N121-S124 WeakPolarHBondContact CB-OG 3.28Å; N121-S124 VanDerWaalsContact CG-OG 3.24Å; N121-S124 PolarHBondContact O-N 2.65Å; N121-S124 PolarHBondContact OD1-N 2.02Å; N121-L125 CarbonylContact C-O 3.57Å; N121-L125 HydrophobicContact CB-CB 4.34Å; N121-L125 PolarHBondContact N-O 3.2Å; N121-L125 VanDerWaalsContact N-O 3.14Å; N121-L125 CarbonylContact O-C 3.43Å; N121-L125 WeakPolarHBondContact O-CA 3.38Å; N121-L125 PolarHBondContact O-N 3.02Å
122	P	93.3	Very high	97	Very high	105 Å²	105	36.8 Å²	36.8	68%	0.682	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.2	-175.3	-27.4	34.9	0	0	0	115.1
123	I	94.7	Very high	96.9	Very high	103 Å²	103	36.8 Å²	36.8	53%	0.528	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-56.8	179.5	-58.1	174.2	0	0	0	110.3	N121 V339 G343	N121-I123 PolarHBondContact O-N 3.47Å; N121-I123 WeakPolarHBondContact OD1-CA 2.84Å; N121-I123 WeakPolarHBondContact OD1-CB 3.06Å; N121-I123 PolarHBondContact OD1-N 3.39Å; I123-V339 VanDerWaalsContact O-CG2 3.32Å; I123-V339 WeakPolarHBondContact O-CG2 3.3Å; I123-G343 WeakPolarHBondContact O-CA 3.22Å
124	S	95.5	Very high	96.8	Very high	27 Å²	27	35.9 Å²	35.9	19%	0.189	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-18.6	-168.7	67.8	0	0	0	0	115	N121 G451 S452	N121-S124 WeakPolarHBondContact CB-OG 3.28Å; N121-S124 VanDerWaalsContact CG-OG 3.24Å; N121-S124 PolarHBondContact O-N 2.65Å; N121-S124 PolarHBondContact OD1-N 2.02Å; S124-G451 CarbonylContact O-C 3.48Å; S124-G451 WeakPolarHBondContact O-CA 3.34Å; S124-S452 PolarHBondContact O-N 2.84Å
125	L	96.9	Very high	96.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-146.8	71.7	-179.6	-179	55	0	0	0	110.1	N121 A127 L128 M449 P454	N121-L125 CarbonylContact C-O 3.57Å; N121-L125 HydrophobicContact CB-CB 4.34Å; N121-L125 PolarHBondContact N-O 3.2Å; N121-L125 VanDerWaalsContact N-O 3.14Å; N121-L125 CarbonylContact O-C 3.43Å; N121-L125 WeakPolarHBondContact O-CA 3.38Å; N121-L125 PolarHBondContact O-N 3.02Å; L125-A127 WeakPolarHBondContact CD1-O 3.07Å; L125-L128 HydrophobicContact CD2-CD1 4.29Å; L125-M449 HydrophobicContact CD1-CB 3.6Å; L125-M449 HydrophobicContact CD1-CG 3.83Å; L125-M449 HydrophobicContact CD1-SD 4.21Å; L125-M449 HydrophobicContact CD2-SD 4.11Å; L125-P454 HydrophobicContact CD2-CG 3.87Å
126	P	96.8	Very high	96.1	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.032	20%	0.202	C	C	.	.			trans	-73	-27.2	-174.6	27.6	-37.8	0	0	0	114.2	G145 K146 A149 V339 A450	P126-G145 CarbonylContact O-C 3.29Å; P126-G145 WeakPolarHBondContact O-CA 3.26Å; P126-K146 PolarHBondContact O-N 3.16Å; P126-A149 HydrophobicContact CB-CB 3.59Å; P126-A149 HydrophobicContact CG-CB 4.09Å; P126-V339 HydrophobicContact CG-CG1 4.2Å; P126-V339 HydrophobicContact CG-CG2 3.57Å; P126-A450 WeakPolarHBondContact CD-O 3.25Å; P126-A450 VanDerWaalsContact CG-O 3.3Å; P126-A450 WeakPolarHBondContact CG-O 2.88Å
127	A	97.9	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.7	178	0	0	0	0	0	112	L125 K146 P157 Y163 A336 M449 A450	L125-A127 WeakPolarHBondContact CD1-O 3.07Å; A127-K146 WeakPolarHBondContact CB-O 3.21Å; A127-P157 HydrophobicContact CB-CG 4.24Å; A127-Y163 HydrophobicContact CB-CE1 4.29Å; A127-A336 HydrophobicContact CB-CB 4.49Å; A127-M449 WeakPolarHBondContact O-CA 3.36Å; A127-A450 HydrophobicContact CB-CB 3.99Å; A127-A450 PolarHBondContact O-N 3.14Å
128	L	98	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.7	172.8	-177.4	156.8	0	0	0	109	F116 I120 L125 A130 F144 I447 L448 M449	F116-L128 HydrophobicContact CB-CD2 4.08Å; F116-L128 HydrophobicContact CD1-CD1 4.25Å; F116-L128 HydrophobicContact CD1-CD2 4.24Å; F116-L128 HydrophobicContact CG-CD2 4.18Å; I120-L128 HydrophobicContact CD1-CB 3.71Å; L125-L128 HydrophobicContact CD2-CD1 4.29Å; L128-A130 HydrophobicContact CD2-CB 4.06Å; L128-F144 HydrophobicContact CD2-CD2 3.83Å; L128-F144 HydrophobicContact CD2-CE2 4.32Å; L128-F144 PolarHBondContact N-O 2.63Å; L128-F144 VanDerWaalsContact N-O 3.11Å; L128-F144 PolarHBondContact O-N 2.68Å; L128-I447 HydrophobicContact CD1-CG2 4.09Å; L128-I447 HydrophobicContact CD2-CG2 4.17Å; L128-I447 HydrophobicContact CG-CG2 3.98Å; L128-L448 WeakPolarHBondContact CA-O 3.43Å; L128-M449 HydrophobicContact CB-CG 4.21Å; L128-M449 HydrophobicContact CD1-CG 3.78Å; L128-M449 HydrophobicContact CD1-SD 3.98Å; L128-M449 HydrophobicContact CG-CG 3.8Å
129	S	98.6	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.9	168.7	-66.7	0	0	0	0	110	G142 N143 S158 Y163 I447 L448	S129-G142 CarbonylContact C-O 3.57Å; S129-G142 WeakPolarHBondContact CA-O 3.2Å; S129-N143 VanDerWaalsContact CB-OD1 3.22Å; S129-N143 WeakPolarHBondContact CB-OD1 3.37Å; S129-N143 PolarHBondContact OG-OD1 2.81Å; S129-S158 PolarHBondContact OG-O 2.95Å; S129-Y163 PolarHBondContact OG-OH 2.66Å; S129-I447 WeakPolarHBondContact O-CA 3.35Å; S129-L448 PolarHBondContact N-O 2.82Å; S129-L448 PolarHBondContact O-N 3.32Å
130	A	98.5	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.1	-178.4	0	0	0	0	0	112.2	F116 L128 W140 T141 G142 V446 I447	F116-A130 HydrophobicContact CD2-CB 4.16Å; F116-A130 HydrophobicContact CE2-CB 3.95Å; F116-A130 HydrophobicContact CZ-CB 4.4Å; L128-A130 HydrophobicContact CD2-CB 4.06Å; A130-W140 HydrophobicContact CB-CH2 4.23Å; A130-W140 HydrophobicContact CB-CZ3 3.77Å; A130-T141 WeakPolarHBondContact O-CA 3.43Å; A130-G142 PolarHBondContact N-O 3.13Å; A130-G142 PolarHBondContact O-N 3.04Å; A130-V446 CarbonylContact C-O 3.18Å; A130-V446 WeakPolarHBondContact CA-O 3.34Å; A130-I447 HydrophobicContact CB-CB 4.46Å; A130-I447 HydrophobicContact CB-CG1 4.05Å; A130-I447 HydrophobicContact CB-CG2 4.37Å
131	I	98.6	Very high	95.7	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.6	177.6	-64.7	-172.3	0	0	0	109.8	I133 V138 W140 T141 E159 P364 A368 L445 V446	I131-I133 HydrophobicContact CB-CD1 4.37Å; I131-I133 HydrophobicContact CG2-CD1 3.75Å; I131-I133 HydrophobicContact CG2-CG1 3.9Å; I131-V138 HydrophobicContact CG2-CB 4.46Å; I131-V138 HydrophobicContact CG2-CG1 3.71Å; I131-V138 HydrophobicContact CG2-CG2 4.03Å; I131-W140 WeakPolarHBondContact CA-O 3.17Å; I131-T141 HydrophobicContact CG1-CG2 4.23Å; I131-E159 HydrophobicContact CD1-CB 4.12Å; I131-P364 VanDerWaalsContact CD1-C 3.5Å; I131-P364 HydrophobicContact CD1-CB 3.63Å; I131-P364 HydrophobicContact CG1-CB 3.82Å; I131-A368 HydrophobicContact CD1-CB 4.22Å; I131-A368 HydrophobicContact CG2-CB 4.06Å; I131-L445 WeakPolarHBondContact O-CA 3.43Å; I131-L445 WeakPolarHBondContact O-CD1 3.37Å; I131-V446 PolarHBondContact N-O 2.93Å; I131-V446 PolarHBondContact O-N 2.85Å
132	V	98.3	Very high	95.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.7	168.7	178.6	0	0	0	0	108.7	L109 L139 W140 L443 G444 L445 I467	L109-V132 HydrophobicContact CD2-CB 4.26Å; L109-V132 HydrophobicContact CD2-CG1 4.26Å; L109-V132 HydrophobicContact CD2-CG2 4.14Å; V132-L139 HydrophobicContact CG1-CB 4.28Å; V132-L139 HydrophobicContact CG1-CD1 4.27Å; V132-L139 PolarHBondContact O-N 3.41Å; V132-W140 HydrophobicContact CB-CB 4.27Å; V132-W140 HydrophobicContact CB-CE3 4.5Å; V132-W140 HydrophobicContact CG2-CE3 3.86Å; V132-W140 PolarHBondContact N-O 2.8Å; V132-W140 PolarHBondContact O-N 2.83Å; V132-L443 HydrophobicContact CG1-CD1 3.95Å; V132-G444 WeakPolarHBondContact CA-O 3.38Å; V132-L445 HydrophobicContact CG2-CD1 3.99Å; V132-I467 HydrophobicContact CG1-CD1 4.08Å; V132-I467 HydrophobicContact CG2-CD1 3.82Å
133	I	96.8	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.7	-177.6	-57.1	94.1	0	0	0	109.1	I131 T137 A368 A371 M372 L375 L443 G444 V446	I131-I133 HydrophobicContact CB-CD1 4.37Å; I131-I133 HydrophobicContact CG2-CD1 3.75Å; I131-I133 HydrophobicContact CG2-CG1 3.9Å; I133-T137 WeakPolarHBondContact CA-O 3.44Å; I133-A368 HydrophobicContact CD1-CB 4.1Å; I133-A368 HydrophobicContact CG1-CB 3.98Å; I133-A371 HydrophobicContact CD1-CB 4.11Å; I133-A371 HydrophobicContact CG1-CB 4.47Å; I133-M372 HydrophobicContact CG1-CE 4.47Å; I133-M372 HydrophobicContact CG2-CE 3.94Å; I133-M372 HydrophobicContact CG2-CG 3.62Å; I133-L375 HydrophobicContact CG2-CD1 4.4Å; I133-L443 CarbonylContact O-C 3.44Å; I133-L443 WeakPolarHBondContact O-CA 3.43Å; I133-L443 WeakPolarHBondContact O-CD1 2.96Å; I133-G444 PolarHBondContact N-O 2.99Å; I133-G444 PolarHBondContact O-N 3.36Å; I133-V446 HydrophobicContact CD1-CG2 4.19Å
134	L	94.6	Very high	96.2	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.073	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.5	166.2	-179.1	64.4	0	0	0	108.9	L98 D136 T137 L139 L441 K442 I471 F475	L98-L134 HydrophobicContact CD1-CD2 3.89Å; L134-D136 PolarHBondContact O-N 3.17Å; L134-D136 VanDerWaalsContact O-N 3.15Å; L134-T137 PolarHBondContact N-O 3Å; L134-T137 PolarHBondContact O-N 3.37Å; L134-L139 HydrophobicContact CB-CD1 3.44Å; L134-L139 VanDerWaalsContact CB-CD1 3.44Å; L134-L139 HydrophobicContact CB-CD2 3.91Å; L134-L139 HydrophobicContact CB-CG 3.55Å; L134-L139 HydrophobicContact CD2-CD1 4Å; L134-L139 HydrophobicContact CD2-CD2 4.3Å; L134-L139 HydrophobicContact CG-CD1 4.33Å; L134-L441 WeakPolarHBondContact CD1-O 3.4Å; L134-K442 WeakPolarHBondContact CA-O 3.49Å; L134-I471 HydrophobicContact CD1-CD1 4.14Å; L134-F475 HydrophobicContact CD1-CZ 4.14Å
135	N	92.2	Very high	96.3	Very high	62 Å²	62	23.6 Å²	23.6	33%	0.332	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-113.4	-174.8	-165.1	52.7	0	0	0	111.1	A377 K442	N135-A377 HydrophobicContact CB-CB 4.34Å; N135-A377 WeakPolarHBondContact O-CB 3.38Å; N135-A377 WeakPolarHBondContact OD1-CB 3.48Å; N135-K442 HydrophobicContact CB-CB 4.39Å; N135-K442 PolarHBondContact N-O 3.31Å
136	D	90.8	Very high	96.2	Very high	85 Å²	85	27.7 Å²	27.7	46%	0.455	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	6.6	179.6	60.2	-20.1	0	0	0	112.8	L134 A377	L134-D136 PolarHBondContact O-N 3.17Å; L134-D136 VanDerWaalsContact O-N 3.15Å; D136-A377 HydrophobicContact CB-CB 4.1Å; D136-A377 WeakPolarHBondContact CB-O 3.39Å
137	T	91.1	Very high	96.1	Very high	57 Å²	57	31.5 Å²	31.5	35%	0.35	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.8	-172.7	-58.2	0	0	0	0	111.4	I133 L134 L139	I133-T137 WeakPolarHBondContact CA-O 3.44Å; L134-T137 PolarHBondContact N-O 3Å; L134-T137 PolarHBondContact O-N 3.37Å; T137-L139 PolarHBondContact O-N 3.03Å
138	V	94.5	Very high	95.9	Very high	60 Å²	60	33.5 Å²	33.5	36%	0.364	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.7	167	173.6	0	0	0	0	108.6	I131 T141 M372	I131-V138 HydrophobicContact CG2-CB 4.46Å; I131-V138 HydrophobicContact CG2-CG1 3.71Å; I131-V138 HydrophobicContact CG2-CG2 4.03Å; V138-T141 WeakPolarHBondContact CG1-OG1 3.39Å; V138-M372 HydrophobicContact CG2-CE 3.63Å
139	L	93.5	Very high	95.6	Very high	33 Å²	33	35.5 Å²	35.5	17%	0.173	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-33.1	177.6	-67.9	-172.6	0	0	0	112.5	L105 L109 V132 L134 T137	L105-L139 HydrophobicContact CD1-CD1 3.89Å; L105-L139 HydrophobicContact CD2-CD1 4.38Å; L109-L139 HydrophobicContact CD1-CB 4.23Å; V132-L139 HydrophobicContact CG1-CB 4.28Å; V132-L139 HydrophobicContact CG1-CD1 4.27Å; V132-L139 PolarHBondContact O-N 3.41Å; L134-L139 HydrophobicContact CB-CD1 3.44Å; L134-L139 VanDerWaalsContact CB-CD1 3.44Å; L134-L139 HydrophobicContact CB-CD2 3.91Å; L134-L139 HydrophobicContact CB-CG 3.55Å; L134-L139 HydrophobicContact CD2-CD1 4Å; L134-L139 HydrophobicContact CD2-CD2 4.3Å; L134-L139 HydrophobicContact CG-CD1 4.33Å; T137-L139 PolarHBondContact O-N 3.03Å
140	W	96.8	Very high	95.1	Very high	33 Å²	33	39.4 Å²	39.4	13%	0.125	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	145.2	-173.2	176.5	87.9	0	0	0	111.2	L109 V112 D113 F116 A130 I131 V132 F144	L109-W140 HydrophobicContact CB-CG 4.43Å; L109-W140 HydrophobicContact CD1-CB 4.05Å; L109-W140 HydrophobicContact CD2-CB 3.64Å; L109-W140 HydrophobicContact CD2-CG 4.09Å; L109-W140 HydrophobicContact CG-CB 4.25Å; V112-W140 HydrophobicContact CG1-CE3 4.42Å; V112-W140 HydrophobicContact CG1-CH2 4.21Å; V112-W140 HydrophobicContact CG1-CZ3 4.14Å; D113-W140 HydrophobicContact CB-CZ2 3.96Å; F116-W140 AromaticContact CD2-CH2 3.58Å; F116-W140 HydrophobicContact CD2-CH2 3.58Å; F116-W140 AromaticContact CD2-CZ3 3.99Å; F116-W140 HydrophobicContact CD2-CZ3 3.99Å; F116-W140 HydrophobicContact CE2-CH2 4.14Å; F116-W140 HydrophobicContact CE2-CZ3 4.07Å; A130-W140 HydrophobicContact CB-CH2 4.23Å; A130-W140 HydrophobicContact CB-CZ3 3.77Å; I131-W140 WeakPolarHBondContact CA-O 3.17Å; V132-W140 HydrophobicContact CB-CB 4.27Å; V132-W140 HydrophobicContact CB-CE3 4.5Å; V132-W140 HydrophobicContact CG2-CE3 3.86Å; V132-W140 PolarHBondContact N-O 2.8Å; V132-W140 PolarHBondContact O-N 2.83Å; W140-F144 AromaticContact CH2-CE2 3.89Å; W140-F144 HydrophobicContact CH2-CE2 3.89Å; W140-F144 HydrophobicContact CH2-CZ 4.05Å; W140-F144 HydrophobicContact CZ2-CE2 4.16Å; W140-F144 AromaticContact CZ2-CZ 3.85Å; W140-F144 HydrophobicContact CZ2-CZ 3.85Å
141	T	98	Very high	94.7	Very high	53 Å²	53	42.3 Å²	42.3	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.3	174.7	-61.1	0	0	0	0	107.8	A130 I131 V138 E159	A130-T141 WeakPolarHBondContact O-CA 3.43Å; I131-T141 HydrophobicContact CG1-CG2 4.23Å; V138-T141 WeakPolarHBondContact CG1-OG1 3.39Å; T141-E159 HydrophobicContact CG2-CB 3.74Å; T141-E159 HydrophobicContact CG2-CG 4.35Å
142	G	98	Very high	94.1	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.4	174.7	0	0	0	0	0	111.2	S129 A130	S129-G142 CarbonylContact C-O 3.57Å; S129-G142 WeakPolarHBondContact CA-O 3.2Å; A130-G142 PolarHBondContact N-O 3.13Å; A130-G142 PolarHBondContact O-N 3.04Å
143	N	98.3	Very high	93.7	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.214	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.9	-179.5	-61.1	-61.7	0	0	0	108.8	S129 P157 S158 E159	S129-N143 VanDerWaalsContact CB-OD1 3.22Å; S129-N143 WeakPolarHBondContact CB-OD1 3.37Å; S129-N143 PolarHBondContact OG-OD1 2.81Å; N143-P157 HydrophobicContact CB-CG 4.21Å; N143-P157 WeakPolarHBondContact CB-O 3.44Å; N143-S158 VanDerWaalsContact CG-C 3.48Å; N143-S158 VanDerWaalsContact CG-CA 3.47Å; N143-S158 PolarHBondContact OD1-O 3.44Å; N143-E159 PolarHBondContact ND2-N 3.1Å; N143-E159 PolarHBondContact ND2-OE2 3.15Å; N143-E159 PolarHBondContact OD1-N 2.98Å
144	F	97.5	Very high	93.5	Very high	14 Å²	14	55.2 Å²	55.2	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149	-167.5	-50.5	-84.6	0	0	0	112.3	D113 F116 R117 I120 L128 W140 P157	D113-F144 WeakPolarHBondContact OD1-CZ 3.4Å; F116-F144 HydrophobicContact CB-CD2 3.93Å; F116-F144 HydrophobicContact CB-CE2 3.45Å; F116-F144 VanDerWaalsContact CB-CE2 3.45Å; F116-F144 HydrophobicContact CB-CZ 3.98Å; F116-F144 HydrophobicContact CG-CE2 4.43Å; R117-F144 HydrophobicContact CB-CD1 3.8Å; R117-F144 HydrophobicContact CB-CE1 3.78Å; R117-F144 HydrophobicContact CG-CD1 4.19Å; R117-F144 HydrophobicContact CG-CE1 4.47Å; I120-F144 HydrophobicContact CD1-CB 3.84Å; I120-F144 HydrophobicContact CG1-CB 3.56Å; L128-F144 HydrophobicContact CD2-CD2 3.83Å; L128-F144 HydrophobicContact CD2-CE2 4.32Å; L128-F144 PolarHBondContact N-O 2.63Å; L128-F144 VanDerWaalsContact N-O 3.11Å; L128-F144 PolarHBondContact O-N 2.68Å; W140-F144 AromaticContact CH2-CE2 3.89Å; W140-F144 HydrophobicContact CH2-CE2 3.89Å; W140-F144 HydrophobicContact CH2-CZ 4.05Å; W140-F144 HydrophobicContact CZ2-CE2 4.16Å; W140-F144 AromaticContact CZ2-CZ 3.85Å; W140-F144 HydrophobicContact CZ2-CZ 3.85Å; F144-P157 WeakPolarHBondContact O-CD 3.4Å; F144-P157 WeakPolarHBondContact O-CG 3.35Å
145	G	96.4	Very high	93.3	Very high	31 Å²	31	56.4 Å²	56.4	32%	0.32	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.9	-140.7	175.8	0	0	0	0	0	113.1	P126 P156	P126-G145 CarbonylContact O-C 3.29Å; P126-G145 WeakPolarHBondContact O-CA 3.26Å; G145-P156 VanDerWaalsContact O-CA 3.24Å; G145-P156 WeakPolarHBondContact O-CA 3.39Å
146	K	95.6	Very high	93.4	Very high	88 Å²	88	57.8 Å²	57.8	38%	0.383	34%	0.341	S	S	.	.			trans	-133.7	130.8	-179.8	-68.8	-168.8	174.7	-162.8	0	110.7	P126 A127 N148 P152 G155	P126-K146 PolarHBondContact O-N 3.16Å; A127-K146 WeakPolarHBondContact CB-O 3.21Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 3.28Å; K146-P152 PolarHBondContact NZ-O 3.01Å; K146-G155 WeakPolarHBondContact CA-O 3.45Å
147	R	94.3	Very high	93.6	Very high	84 Å²	84	54.1 Å²	54.1	32%	0.317	32%	0.322	S	S	.	.	S	Bend	trans	-57.7	-37.6	179.3	-174.9	-177.8	64.7	162.8	8.1	113.1	S154 G155 T161 S333 F335 A336 V337	R147-S154 PolarHBondContact N-OG 3.35Å; R147-G155 PolarHBondContact N-O 2.79Å; R147-T161 HydrophobicContact CG-CG2 3.99Å; R147-S333 PolarHBondContact NH1-O 3.34Å; R147-F335 WeakPolarHBondContact CD-O 3.11Å; R147-F335 WeakPolarHBondContact CG-O 2.94Å; R147-A336 HydrophobicContact CG-CB 4.11Å; R147-A336 CarbonylContact O-C 3.55Å; R147-A336 WeakPolarHBondContact O-CA 3.27Å; R147-V337 PolarHBondContact O-N 3.02Å
148	N	93.9	Very high	93.9	Very high	43 Å²	43	53.2 Å²	53.2	23%	0.23	32%	0.318	C	S	.	.			trans	-128.7	107.4	171.8	-179.6	-1.9	0	0	0	109.7	K146 S150 D151 S154 V337	K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 3.28Å; N148-S150 PolarHBondContact O-N 3.1Å; N148-S150 PolarHBondContact OD1-N 3.47Å; N148-D151 HydrophobicContact CB-CB 4.15Å; N148-D151 PolarHBondContact O-N 3.46Å; N148-S154 PolarHBondContact N-OG 2.94Å; N148-S154 WeakPolarHBondContact O-CB 3.49Å; N148-V337 HydrophobicContact CB-CB 4.35Å; N148-V337 HydrophobicContact CB-CG2 3.89Å
149	A	91.1	Very high	94	Very high	41 Å²	41	53 Å²	53	34%	0.339	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.6	-178.1	0	0	0	0	0	113.8	P126 D151	P126-A149 HydrophobicContact CB-CB 3.59Å; P126-A149 HydrophobicContact CG-CB 4.09Å; A149-D151 VanDerWaalsContact C-N 3.32Å
150	S	89.1	Confident	94.1	Very high	83 Å²	83	56.9 Å²	56.9	58%	0.58	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.3	-178.5	-59.9	0	0	0	0	112.8	N148 P152	N148-S150 PolarHBondContact O-N 3.1Å; N148-S150 PolarHBondContact OD1-N 3.47Å; S150-P152 WeakPolarHBondContact O-CD 3.39Å
151	D	90.2	Very high	94.2	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	32%	0.322	S	S	.	.			trans	-100.5	111.6	178.2	177	7.4	0	0	0	110.1	N148 A149 L153 S154	N148-D151 HydrophobicContact CB-CB 4.15Å; N148-D151 PolarHBondContact O-N 3.46Å; A149-D151 VanDerWaalsContact C-N 3.32Å; D151-L153 PolarHBondContact O-N 3.24Å; D151-L153 WeakPolarHBondContact OD1-CB 3.35Å; D151-L153 PolarHBondContact OD1-N 3.5Å; D151-S154 VanDerWaalsContact O-CB 3.3Å; D151-S154 WeakPolarHBondContact O-CB 3.34Å; D151-S154 PolarHBondContact O-N 2.96Å
152	P	85.6	Confident	94.1	Very high	106 Å²	106	53 Å²	53	69%	0.688	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.7	178	-24.2	34.6	0	0	0	113.6	K146 S150 S154	K146-P152 PolarHBondContact NZ-O 3.01Å; S150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-S154 VanDerWaalsContact C-N 3.32Å
153	L	90.1	Very high	94.1	Very high	162 Å²	162	53 Å²	53	85%	0.848	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.9	-179.5	-59.3	178.3	0	0	0	112.8	D151 G155	D151-L153 PolarHBondContact O-N 3.24Å; D151-L153 WeakPolarHBondContact OD1-CB 3.35Å; D151-L153 PolarHBondContact OD1-N 3.5Å; L153-G155 PolarHBondContact O-N 3.38Å
154	S	91.4	Very high	94	Very high	8 Å²	8	51.1 Å²	51.1	6%	0.056	30%	0.295	C	S	.	.			trans	-64	121	175.9	179.3	0	0	0	0	110.6	R147 N148 D151 P152	R147-S154 PolarHBondContact N-OG 3.35Å; N148-S154 PolarHBondContact N-OG 2.94Å; N148-S154 WeakPolarHBondContact O-CB 3.49Å; D151-S154 VanDerWaalsContact O-CB 3.3Å; D151-S154 WeakPolarHBondContact O-CB 3.34Å; D151-S154 PolarHBondContact O-N 2.96Å; P152-S154 VanDerWaalsContact C-N 3.32Å
155	G	90.5	Very high	94.1	Very high	38 Å²	38	50.4 Å²	50.4	39%	0.392	29%	0.292	S	S	.	.			trans	-72.3	-179.9	169.4	0	0	0	0	0	113.7	K146 R147 L153	K146-G155 WeakPolarHBondContact CA-O 3.45Å; R147-G155 PolarHBondContact N-O 2.79Å; L153-G155 PolarHBondContact O-N 3.38Å
156	P	94.1	Very high	94.1	Very high	92 Å²	92	49 Å²	49	60%	0.597	28%	0.277	S	S	*	.			trans	-62.9	157.3	171	29.9	-35.2	0	0	0	111.3	G145	G145-P156 VanDerWaalsContact O-CA 3.24Å; G145-P156 WeakPolarHBondContact O-CA 3.39Å
157	P	96.8	Very high	94.2	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.045	26%	0.263	C	S	.	.			trans	-65.5	175.6	168.8	31.9	-35.2	0	0	0	110.9	A127 N143 F144 T161 Y163	A127-P157 HydrophobicContact CB-CG 4.24Å; N143-P157 HydrophobicContact CB-CG 4.21Å; N143-P157 WeakPolarHBondContact CB-O 3.44Å; F144-P157 WeakPolarHBondContact O-CD 3.4Å; F144-P157 WeakPolarHBondContact O-CG 3.35Å; P157-T161 WeakPolarHBondContact CA-OG1 3.34Å; P157-T161 HydrophobicContact CB-CG2 3.84Å; P157-Y163 WeakPolarHBondContact CB-OH 3.48Å; P157-Y163 WeakPolarHBondContact CG-OH 3.16Å
158	S	96.4	Very high	94.5	Very high	38 Å²	38	41.4 Å²	41.4	27%	0.266	25%	0.248	S	C	.	.			trans	-131	174	171.1	67.1	0	0	0	0	109.9	S129 N143 Y160 T161	S129-S158 PolarHBondContact OG-O 2.95Å; N143-S158 VanDerWaalsContact CG-C 3.48Å; N143-S158 VanDerWaalsContact CG-CA 3.47Å; N143-S158 PolarHBondContact OD1-O 3.44Å; S158-Y160 PolarHBondContact O-N 2.95Å; S158-Y160 VanDerWaalsContact O-N 3.16Å; S158-Y160 PolarHBondContact OG-N 3.36Å; S158-T161 PolarHBondContact N-OG1 3.02Å; S158-T161 VanDerWaalsContact O-CB 3.22Å; S158-T161 WeakPolarHBondContact O-CB 3.47Å; S158-T161 PolarHBondContact O-N 3Å; S158-T161 PolarHBondContact O-OG1 2.9Å; S158-T161 PolarHBondContact OG-N 3.18Å; S158-T161 PolarHBondContact OG-OG1 3.27Å
159	E	96.4	Very high	94.7	Very high	57 Å²	57	39.4 Å²	39.4	27%	0.266	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.5	173	63	-81	-169.1	0	0	114	I131 T141 N143 T363 P364 A365	I131-E159 HydrophobicContact CD1-CB 4.12Å; T141-E159 HydrophobicContact CG2-CB 3.74Å; T141-E159 HydrophobicContact CG2-CG 4.35Å; N143-E159 PolarHBondContact ND2-N 3.1Å; N143-E159 PolarHBondContact ND2-OE2 3.15Å; N143-E159 PolarHBondContact OD1-N 2.98Å; E159-T363 WeakPolarHBondContact O-CB 3.26Å; E159-P364 WeakPolarHBondContact O-CD 3.38Å; E159-A365 HydrophobicContact CB-CB 4.47Å; E159-A365 VanDerWaalsContact O-CB 3.32Å; E159-A365 WeakPolarHBondContact O-CB 3.13Å; E159-A365 PolarHBondContact O-N 3Å
160	Y	96.4	Very high	95.1	Very high	113 Å²	113	37.4 Å²	37.4	44%	0.443	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	0.8	173.6	-53.5	-73.1	0	0	0	112.3	S158 T363 A365	S158-Y160 PolarHBondContact O-N 2.95Å; S158-Y160 VanDerWaalsContact O-N 3.16Å; S158-Y160 PolarHBondContact OG-N 3.36Å; Y160-T363 WeakPolarHBondContact O-CG2 3.04Å; Y160-A365 HydrophobicContact CD1-CB 4.01Å; Y160-A365 HydrophobicContact CE1-CB 3.88Å
161	T	97.2	Very high	95.5	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.037	19%	0.194	C	C	.	.			trans	-68.4	135.5	173.8	-66.3	0	0	0	0	110.1	R147 P157 S158 Y163 Q334 A336 P364	R147-T161 HydrophobicContact CG-CG2 3.99Å; P157-T161 WeakPolarHBondContact CA-OG1 3.34Å; P157-T161 HydrophobicContact CB-CG2 3.84Å; S158-T161 PolarHBondContact N-OG1 3.02Å; S158-T161 VanDerWaalsContact O-CB 3.22Å; S158-T161 WeakPolarHBondContact O-CB 3.47Å; S158-T161 PolarHBondContact O-N 3Å; S158-T161 PolarHBondContact O-OG1 2.9Å; S158-T161 PolarHBondContact OG-N 3.18Å; S158-T161 PolarHBondContact OG-OG1 3.27Å; T161-Y163 HydrophobicContact CG2-CD2 4.4Å; T161-Y163 HydrophobicContact CG2-CE2 3.73Å; T161-Y163 WeakPolarHBondContact O-CD2 3.5Å; T161-Y163 VanDerWaalsContact O-CE2 3.32Å; T161-Y163 WeakPolarHBondContact O-CE2 3.48Å; T161-Q334 WeakPolarHBondContact CA-O 3.32Å; T161-Q334 WeakPolarHBondContact CG2-O 3.49Å; T161-A336 HydrophobicContact CG2-CB 3.72Å; T161-P364 WeakPolarHBondContact O-CD 3.48Å
162	I	97.3	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-92.7	132.5	-172.9	-63.3	162.7	0	0	0	109.7	L327 L331 Q334 F335 A336 F361 S362 T363	I162-L327 HydrophobicContact CG2-CD2 4.13Å; I162-L331 HydrophobicContact CD1-CB 3.47Å; I162-L331 VanDerWaalsContact CD1-CB 3.47Å; I162-L331 HydrophobicContact CD1-CD2 3.23Å; I162-L331 HydrophobicContact CD1-CG 3.83Å; I162-L331 WeakPolarHBondContact CD1-O 3.45Å; I162-L331 HydrophobicContact CG1-CD2 4.36Å; I162-Q334 HydrophobicContact CD1-CB 4.06Å; I162-Q334 HydrophobicContact CG1-CB 4.45Å; I162-Q334 PolarHBondContact N-O 3.42Å; I162-F335 HydrophobicContact CB-CD2 4.21Å; I162-F335 HydrophobicContact CG2-CD2 3.89Å; I162-F335 HydrophobicContact CG2-CE2 4.44Å; I162-F335 WeakPolarHBondContact O-CD2 3.45Å; I162-A336 PolarHBondContact O-N 2.74Å; I162-F361 HydrophobicContact CG2-CB 3.87Å; I162-S362 WeakPolarHBondContact CA-O 3.37Å; I162-T363 HydrophobicContact CG1-CG2 3.59Å
163	Y	97.7	Very high	96.5	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.7	176.4	-61.8	-97.5	0	0	0	109.4	A127 S129 P157 T161 I165 A336 F361 S362 P364 L448 A450	A127-Y163 HydrophobicContact CB-CE1 4.29Å; S129-Y163 PolarHBondContact OG-OH 2.66Å; P157-Y163 WeakPolarHBondContact CB-OH 3.48Å; P157-Y163 WeakPolarHBondContact CG-OH 3.16Å; T161-Y163 HydrophobicContact CG2-CD2 4.4Å; T161-Y163 HydrophobicContact CG2-CE2 3.73Å; T161-Y163 WeakPolarHBondContact O-CD2 3.5Å; T161-Y163 VanDerWaalsContact O-CE2 3.32Å; T161-Y163 WeakPolarHBondContact O-CE2 3.48Å; Y163-I165 PolarHBondContact O-N 2.8Å; Y163-A336 HydrophobicContact CD1-CB 3.81Å; Y163-A336 HydrophobicContact CE1-CB 3.54Å; Y163-A336 HydrophobicContact CG-CB 4.47Å; Y163-F361 VanDerWaalsContact O-CA 3.25Å; Y163-F361 WeakPolarHBondContact O-CA 3.27Å; Y163-S362 PolarHBondContact N-O 3.38Å; Y163-S362 PolarHBondContact O-N 3.48Å; Y163-P364 HydrophobicContact CE2-CG 4.36Å; Y163-L448 HydrophobicContact CD1-CB 4.16Å; Y163-L448 HydrophobicContact CD2-CB 3.57Å; Y163-L448 HydrophobicContact CD2-CD1 3.9Å; Y163-L448 HydrophobicContact CD2-CG 4.39Å; Y163-L448 HydrophobicContact CE2-CB 4.08Å; Y163-L448 HydrophobicContact CG-CB 3.61Å; Y163-L448 HydrophobicContact CG-CD1 4.33Å; Y163-A450 HydrophobicContact CD1-CB 4.01Å; Y163-A450 HydrophobicContact CE1-CB 3.9Å
164	R	96.9	Very high	96.9	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	122.5	162.8	-162.1	168.1	-169.7	-179.5	-2.3	108.4	Y349 F361 Y431	R164-Y349 PolarHBondContact NH2-O 3.22Å; R164-F361 HydrophobicContact CB-CD1 3.85Å; R164-F361 HydrophobicContact CB-CE1 3.75Å; R164-F361 HydrophobicContact CG-CD1 3.98Å; R164-F361 HydrophobicContact CG-CE1 3.64Å; R164-F361 HydrophobicContact CG-CZ 4.21Å; R164-Y431 HydrophobicContact CB-CD1 3.93Å; R164-Y431 HydrophobicContact CB-CD2 3.77Å; R164-Y431 HydrophobicContact CB-CE1 4.33Å; R164-Y431 HydrophobicContact CB-CE2 4.21Å; R164-Y431 HydrophobicContact CB-CG 3.66Å
165	I	98	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.			trans	-92.3	0.5	-175.3	67.3	170.2	0	0	0	113.3	Y163 S167 L168 F172 M360 M367 L448	Y163-I165 PolarHBondContact O-N 2.8Å; I165-S167 PolarHBondContact O-N 3.03Å; I165-L168 HydrophobicContact CB-CB 4.01Å; I165-L168 HydrophobicContact CB-CD1 4.29Å; I165-L168 HydrophobicContact CB-CG 4.31Å; I165-L168 HydrophobicContact CD1-CB 3.96Å; I165-L168 HydrophobicContact CG1-CB 4.1Å; I165-L168 VanDerWaalsContact O-CB 3.32Å; I165-L168 WeakPolarHBondContact O-CB 3.32Å; I165-L168 VanDerWaalsContact O-CG 3.29Å; I165-L168 WeakPolarHBondContact O-CG 3.46Å; I165-L168 PolarHBondContact O-N 2.88Å; I165-F172 HydrophobicContact CD1-CE2 4.25Å; I165-M360 HydrophobicContact CD1-CB 3.89Å; I165-M360 HydrophobicContact CG1-CB 3.84Å; I165-M360 VanDerWaalsContact CG1-O 3.31Å; I165-M360 WeakPolarHBondContact CG1-O 3.41Å; I165-M360 PolarHBondContact N-O 2.84Å; I165-M367 HydrophobicContact CD1-SD 4.02Å; I165-L448 HydrophobicContact CG2-CD1 4.14Å; I165-L448 HydrophobicContact CG2-CD2 3.97Å
166	A	97.6	Very high	97.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.008	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	47.7	-132	174.2	0	0	0	0	0	111.2	L168 S169 G358 L428	A166-L168 PolarHBondContact O-N 2.84Å; A166-S169 WeakPolarHBondContact O-CB 3.24Å; A166-S169 PolarHBondContact O-N 2.8Å; A166-S169 PolarHBondContact O-OG 3.38Å; A166-G358 WeakPolarHBondContact CA-O 3.36Å; A166-G358 CarbonylContact O-C 3.51Å; A166-G358 VanDerWaalsContact O-CA 3.27Å; A166-G358 WeakPolarHBondContact O-CA 3.43Å; A166-L428 HydrophobicContact CB-CB 3.67Å
167	S	98.3	Very high	97.9	Very high	13 Å²	13	11.5 Å²	11.5	9%	0.091	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-66.7	-1.8	-174.9	-64.4	0	0	0	0	116.2	I165 S169 K170 Y285 D425	I165-S167 PolarHBondContact O-N 3.03Å; S167-S169 PolarHBondContact O-N 3.38Å; S167-K170 WeakPolarHBondContact O-CB 3.26Å; S167-K170 PolarHBondContact O-N 3.24Å; S167-K170 VanDerWaalsContact O-N 3.16Å; S167-K170 PolarHBondContact OG-NZ 3.48Å; S167-Y285 WeakPolarHBondContact CB-OH 3.36Å; S167-Y285 PolarHBondContact OG-OH 2.93Å; S167-D425 WeakPolarHBondContact CB-O 3.45Å
168	L	98.8	Very high	98	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-61.3	-22.9	164.2	-57.8	-158.9	0	0	0	111.6	I165 A166 K170 I171 M367 K424 A433 F435 L448	I165-L168 HydrophobicContact CB-CB 4.01Å; I165-L168 HydrophobicContact CB-CD1 4.29Å; I165-L168 HydrophobicContact CB-CG 4.31Å; I165-L168 HydrophobicContact CD1-CB 3.96Å; I165-L168 HydrophobicContact CG1-CB 4.1Å; I165-L168 VanDerWaalsContact O-CB 3.32Å; I165-L168 WeakPolarHBondContact O-CB 3.32Å; I165-L168 VanDerWaalsContact O-CG 3.29Å; I165-L168 WeakPolarHBondContact O-CG 3.46Å; I165-L168 PolarHBondContact O-N 2.88Å; A166-L168 PolarHBondContact O-N 2.84Å; L168-K170 PolarHBondContact O-N 2.83Å; L168-I171 WeakPolarHBondContact O-CB 3.39Å; L168-I171 WeakPolarHBondContact O-CG1 3.4Å; L168-I171 PolarHBondContact O-N 2.69Å; L168-M367 HydrophobicContact CD1-CE 4.16Å; L168-K424 HydrophobicContact CD2-CB 3.99Å; L168-K424 HydrophobicContact CD2-CG 3.84Å; L168-K424 WeakPolarHBondContact CD2-O 3.47Å; L168-A433 HydrophobicContact CD1-CB 3.76Å; L168-A433 HydrophobicContact CG-CB 3.84Å; L168-F435 HydrophobicContact CD1-CB 3.83Å; L168-F435 HydrophobicContact CD2-CB 4.12Å; L168-L448 HydrophobicContact CD1-CD2 4.31Å
169	S	98.8	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-51.6	-28.2	171.7	-57.2	0	0	0	0	113.1	A166 S167 I171 F172 P173 P356 Q359 M360	A166-S169 WeakPolarHBondContact O-CB 3.24Å; A166-S169 PolarHBondContact O-N 2.8Å; A166-S169 PolarHBondContact O-OG 3.38Å; S167-S169 PolarHBondContact O-N 3.38Å; S169-I171 PolarHBondContact O-N 2.96Å; S169-I171 VanDerWaalsContact O-N 3.13Å; S169-F172 WeakPolarHBondContact O-CD2 3.28Å; S169-F172 PolarHBondContact O-N 2.66Å; S169-P173 WeakPolarHBondContact O-CD 3.45Å; S169-P356 CarbonylContact C-O 3.59Å; S169-Q359 PolarHBondContact OG-N 2.92Å; S169-M360 VanDerWaalsContact OG-CB 3.3Å; S169-M360 WeakPolarHBondContact OG-CB 2.94Å; S169-M360 WeakPolarHBondContact OG-CG 3.38Å; S169-M360 PolarHBondContact OG-N 2.99Å
170	K	98.8	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-63.3	-17.1	178.7	-69.8	-174.9	175.4	69	0	114.3	S167 L168 F172 P173 T174 Y285 N287 F290 S357	S167-K170 WeakPolarHBondContact O-CB 3.26Å; S167-K170 PolarHBondContact O-N 3.24Å; S167-K170 VanDerWaalsContact O-N 3.16Å; S167-K170 PolarHBondContact OG-NZ 3.48Å; L168-K170 PolarHBondContact O-N 2.83Å; K170-F172 VanDerWaalsContact C-N 3.27Å; K170-F172 PolarHBondContact O-N 3.1Å; K170-P173 WeakPolarHBondContact O-CD 3.42Å; K170-T174 PolarHBondContact O-OG1 3.06Å; K170-Y285 WeakPolarHBondContact CE-OH 3.18Å; K170-Y285 PolarHBondContact NZ-OH 2.9Å; K170-N287 WeakPolarHBondContact CE-OD1 3.49Å; K170-N287 PolarHBondContact NZ-OD1 2.93Å; K170-F290 HydrophobicContact CB-CD1 3.54Å; K170-F290 HydrophobicContact CB-CE1 3.63Å; K170-F290 HydrophobicContact CB-CG 4.08Å; K170-F290 HydrophobicContact CB-CZ 4.25Å; K170-F290 HydrophobicContact CD-CB 4.35Å; K170-F290 HydrophobicContact CD-CD1 4.01Å; K170-F290 HydrophobicContact CD-CD2 3.63Å; K170-F290 HydrophobicContact CD-CE1 4.2Å; K170-F290 HydrophobicContact CD-CE2 3.85Å; K170-F290 HydrophobicContact CD-CG 3.7Å; K170-F290 HydrophobicContact CD-CZ 4.1Å; K170-F290 HydrophobicContact CG-CB 4.06Å; K170-F290 HydrophobicContact CG-CD1 3.66Å; K170-F290 HydrophobicContact CG-CD2 4.14Å; K170-F290 HydrophobicContact CG-CE1 4.12Å; K170-F290 HydrophobicContact CG-CG 3.66Å; K170-F290 WeakPolarHBondContact O-CE1 3.31Å; K170-S357 PolarHBondContact NZ-O 3.3Å
171	I	98.8	Very high	98.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.5	-36.7	172.7	-61.5	169.4	0	0	0	110.3	L168 S169 T174 L175 L370 L374 P410 W411 K424 F435	L168-I171 WeakPolarHBondContact O-CB 3.39Å; L168-I171 WeakPolarHBondContact O-CG1 3.4Å; L168-I171 PolarHBondContact O-N 2.69Å; S169-I171 PolarHBondContact O-N 2.96Å; S169-I171 VanDerWaalsContact O-N 3.13Å; I171-T174 WeakPolarHBondContact O-CB 3.32Å; I171-T174 PolarHBondContact O-N 2.99Å; I171-L175 HydrophobicContact CG2-CD1 3.95Å; I171-L175 HydrophobicContact CG2-CG 4.24Å; I171-L175 WeakPolarHBondContact O-CG 3.46Å; I171-L175 PolarHBondContact O-N 3.11Å; I171-L370 HydrophobicContact CG2-CD2 4.08Å; I171-L374 HydrophobicContact CG2-CD1 4.45Å; I171-P410 HydrophobicContact CG1-CG 4.18Å; I171-W411 HydrophobicContact CD1-CH2 4.39Å; I171-W411 HydrophobicContact CD1-CZ3 4.39Å; I171-W411 HydrophobicContact CG1-CH2 4.44Å; I171-K424 HydrophobicContact CD1-CB 4.41Å; I171-K424 HydrophobicContact CG1-CG 4.49Å; I171-F435 HydrophobicContact CD1-CB 4.27Å; I171-F435 HydrophobicContact CD1-CD1 4.07Å; I171-F435 HydrophobicContact CD1-CE1 4.5Å; I171-F435 HydrophobicContact CD1-CG 4.07Å
172	F	98.8	Very high	98.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-73.4	-42.3	-173.4	-62.6	-92.8	0	0	0	114.4	I165 S169 K170 T174 L175 M176 Y306 V310 I314 L315 M320 T323 M360 L370	I165-F172 HydrophobicContact CD1-CE2 4.25Å; S169-F172 WeakPolarHBondContact O-CD2 3.28Å; S169-F172 PolarHBondContact O-N 2.66Å; K170-F172 VanDerWaalsContact C-N 3.27Å; K170-F172 PolarHBondContact O-N 3.1Å; F172-T174 PolarHBondContact O-N 2.83Å; F172-L175 PolarHBondContact O-N 3.11Å; F172-M176 PolarHBondContact O-N 2.73Å; F172-Y306 WeakPolarHBondContact CB-OH 3.47Å; F172-V310 HydrophobicContact CB-CG1 4.23Å; F172-V310 HydrophobicContact CB-CG2 4.29Å; F172-V310 HydrophobicContact CD1-CG1 3.7Å; F172-V310 HydrophobicContact CE1-CG1 4.45Å; F172-V310 HydrophobicContact CG-CG1 4.23Å; F172-I314 HydrophobicContact CD1-CD1 4.05Å; F172-I314 HydrophobicContact CD1-CG2 4.02Å; F172-I314 HydrophobicContact CE1-CG2 3.97Å; F172-L315 HydrophobicContact CD1-CD2 4.31Å; F172-L315 HydrophobicContact CE1-CD2 3.51Å; F172-L315 HydrophobicContact CZ-CD2 4.16Å; F172-M320 HydrophobicContact CE1-CE 4.49Å; F172-M320 HydrophobicContact CZ-CE 4.15Å; F172-T323 HydrophobicContact CZ-CG2 4.41Å; F172-M360 HydrophobicContact CB-SD 4.27Å; F172-M360 HydrophobicContact CD1-CE 4.05Å; F172-M360 HydrophobicContact CD1-SD 4.4Å; F172-M360 HydrophobicContact CD2-CE 3.8Å; F172-M360 HydrophobicContact CD2-SD 3.26Å; F172-M360 WeakPolarHBondContact CD2-SD 3.44Å; F172-M360 HydrophobicContact CE1-CE 3.92Å; F172-M360 HydrophobicContact CE2-CE 3.65Å; F172-M360 HydrophobicContact CE2-SD 3.54Å; F172-M360 VanDerWaalsContact CE2-SD 3.54Å; F172-M360 HydrophobicContact CG-CE 3.98Å; F172-M360 HydrophobicContact CG-SD 3.73Å; F172-M360 HydrophobicContact CZ-CE 3.7Å; F172-M360 HydrophobicContact CZ-SD 4.23Å; F172-L370 HydrophobicContact CZ-CD2 4.09Å
173	P	98.7	Very high	98.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-58.9	-35.7	168.8	-25.7	34.6	0	0	0	112.8	S169 K170 M176 L177 F290 A294 Y306 P356	S169-P173 WeakPolarHBondContact O-CD 3.45Å; K170-P173 WeakPolarHBondContact O-CD 3.42Å; P173-M176 WeakPolarHBondContact O-CB 3.36Å; P173-M176 PolarHBondContact O-N 2.82Å; P173-L177 PolarHBondContact O-N 3.31Å; P173-F290 HydrophobicContact CB-CD1 4.31Å; P173-F290 HydrophobicContact CG-CD1 4.47Å; P173-A294 HydrophobicContact CB-CB 4.05Å; P173-A294 HydrophobicContact CG-CB 4.08Å; P173-Y306 WeakPolarHBondContact CD-OH 3.38Å; P173-Y306 HydrophobicContact CG-CE2 4.33Å; P173-Y306 VanDerWaalsContact CG-OH 3.28Å; P173-Y306 WeakPolarHBondContact CG-OH 3.45Å; P173-P356 HydrophobicContact CG-CB 3.92Å
174	T	98.6	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-68.6	-45.1	176.1	-55.9	0	0	0	0	111.3	K170 I171 F172 M176 L177 Y178 A242 M391 T409	K170-T174 PolarHBondContact O-OG1 3.06Å; I171-T174 WeakPolarHBondContact O-CB 3.32Å; I171-T174 PolarHBondContact O-N 2.99Å; F172-T174 PolarHBondContact O-N 2.83Å; T174-M176 VanDerWaalsContact C-N 3.26Å; T174-M176 PolarHBondContact O-N 3.22Å; T174-L177 WeakPolarHBondContact O-CB 3.18Å; T174-L177 PolarHBondContact O-N 3.48Å; T174-L177 VanDerWaalsContact O-N 3.14Å; T174-Y178 HydrophobicContact CG2-CD2 3.8Å; T174-Y178 HydrophobicContact CG2-CE2 3.8Å; T174-Y178 WeakPolarHBondContact O-CD2 3.38Å; T174-Y178 PolarHBondContact O-N 3.21Å; T174-A242 HydrophobicContact CG2-CB 4.48Å; T174-M391 HydrophobicContact CG2-CE 3.82Å; T174-M391 HydrophobicContact CG2-CG 4.24Å; T174-M391 HydrophobicContact CG2-SD 4.39Å; T174-T409 WeakPolarHBondContact CG2-O 3.32Å
175	L	98.6	Very high	98.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-57.4	-42.1	173.7	-73.7	171.3	0	0	0	111.7	I171 F172 Y178 K179 I314 L370 L374 L382 L383 M391	I171-L175 HydrophobicContact CG2-CD1 3.95Å; I171-L175 HydrophobicContact CG2-CG 4.24Å; I171-L175 WeakPolarHBondContact O-CG 3.46Å; I171-L175 PolarHBondContact O-N 3.11Å; F172-L175 PolarHBondContact O-N 3.11Å; L175-Y178 PolarHBondContact O-N 2.61Å; L175-K179 VanDerWaalsContact O-CB 3.26Å; L175-K179 WeakPolarHBondContact O-CB 3.46Å; L175-K179 PolarHBondContact O-N 3.03Å; L175-I314 HydrophobicContact CB-CD1 3.65Å; L175-I314 HydrophobicContact CD1-CD1 4.08Å; L175-I314 HydrophobicContact CD1-CG2 4.29Å; L175-L370 HydrophobicContact CD1-CD1 3.88Å; L175-L374 HydrophobicContact CD2-CD2 4.13Å; L175-L382 HydrophobicContact CB-CD2 4.49Å; L175-L382 HydrophobicContact CD1-CD2 3.94Å; L175-L382 HydrophobicContact CD2-CD2 3.72Å; L175-L382 HydrophobicContact CG-CD2 4.27Å; L175-L383 HydrophobicContact CD2-CD1 4.19Å; L175-M391 HydrophobicContact CD2-CE 3.81Å; L175-M391 HydrophobicContact CD2-SD 3.81Å; L175-M391 HydrophobicContact CG-CE 4.11Å
176	M	98.6	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-50	173.6	-178.7	177.4	-172.7	0	0	111.8	F172 P173 T174 Y178 K179 L180 M297 S298 V302 Y306 W309	F172-M176 PolarHBondContact O-N 2.73Å; P173-M176 WeakPolarHBondContact O-CB 3.36Å; P173-M176 PolarHBondContact O-N 2.82Å; T174-M176 VanDerWaalsContact C-N 3.26Å; T174-M176 PolarHBondContact O-N 3.22Å; M176-Y178 PolarHBondContact O-N 2.93Å; M176-K179 PolarHBondContact O-N 3.32Å; M176-L180 HydrophobicContact CE-CD1 3.84Å; M176-L180 HydrophobicContact CG-CD1 3.95Å; M176-L180 HydrophobicContact CG-CG 4.28Å; M176-L180 WeakPolarHBondContact O-CB 3.33Å; M176-L180 VanDerWaalsContact O-CG 3.28Å; M176-L180 WeakPolarHBondContact O-CG 3.36Å; M176-L180 PolarHBondContact O-N 3.42Å; M176-M297 HydrophobicContact CE-CB 3.94Å; M176-M297 HydrophobicContact SD-CB 4.31Å; M176-S298 VanDerWaalsContact CE-CA 3.49Å; M176-V302 HydrophobicContact CE-CG2 3.86Å; M176-Y306 HydrophobicContact SD-CD2 3.7Å; M176-Y306 HydrophobicContact SD-CE2 3.93Å; M176-W309 VanDerWaalsContact CA-CZ3 3.48Å; M176-W309 HydrophobicContact CB-CE3 3.84Å; M176-W309 HydrophobicContact CB-CH2 3.85Å; M176-W309 HydrophobicContact CB-CZ3 3.37Å; M176-W309 HydrophobicContact CE-CD2 3.95Å; M176-W309 HydrophobicContact CE-CE3 4.33Å; M176-W309 HydrophobicContact CE-CG 4.05Å; M176-W309 HydrophobicContact CG-CD2 4.01Å; M176-W309 HydrophobicContact CG-CE3 3.61Å; M176-W309 HydrophobicContact CG-CH2 3.8Å; M176-W309 HydrophobicContact CG-CZ2 4.13Å; M176-W309 HydrophobicContact CG-CZ3 3.52Å; M176-W309 HydrophobicContact SD-CD2 4.13Å; M176-W309 HydrophobicContact SD-CE3 3.88Å; M176-W309 HydrophobicContact SD-CZ3 4.37Å
177	L	98.7	Very high	98	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56	-50.3	179.6	173.5	63.1	0	0	0	111.8	P173 T174 K179 L180 W181 I186 L189 L238 A242 L293 M297	P173-L177 PolarHBondContact O-N 3.31Å; T174-L177 WeakPolarHBondContact O-CB 3.18Å; T174-L177 PolarHBondContact O-N 3.48Å; T174-L177 VanDerWaalsContact O-N 3.14Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 3.48Å; L177-L180 PolarHBondContact O-N 3.3Å; L177-W181 PolarHBondContact O-N 3.23Å; L177-W181 VanDerWaalsContact O-N 3.08Å; L177-I186 HydrophobicContact CD1-CD1 3.35Å; L177-I186 HydrophobicContact CG-CD1 4.46Å; L177-L189 HydrophobicContact CD1-CD2 4.09Å; L177-L189 HydrophobicContact CD2-CD2 4.09Å; L177-L189 HydrophobicContact CG-CD2 3.69Å; L177-L238 HydrophobicContact CD1-CB 3.68Å; L177-L238 HydrophobicContact CD1-CD1 3.7Å; L177-L238 HydrophobicContact CD1-CG 4.29Å; L177-L238 HydrophobicContact CD2-CB 4.05Å; L177-A242 HydrophobicContact CD2-CB 3.81Å; L177-L293 HydrophobicContact CB-CD2 4.46Å; L177-L293 HydrophobicContact CD1-CD1 4.34Å; L177-L293 HydrophobicContact CD2-CD2 4.14Å; L177-M297 HydrophobicContact CD1-SD 4.49Å
178	Y	98.6	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-37.6	-179.5	-83.7	-103.8	0	0	0	111.8	T174 L175 M176 W181 E182 L189 I390 M391 T409	T174-Y178 HydrophobicContact CG2-CD2 3.8Å; T174-Y178 HydrophobicContact CG2-CE2 3.8Å; T174-Y178 WeakPolarHBondContact O-CD2 3.38Å; T174-Y178 PolarHBondContact O-N 3.21Å; L175-Y178 PolarHBondContact O-N 2.61Å; M176-Y178 PolarHBondContact O-N 2.93Å; Y178-W181 HydrophobicContact CD1-CE3 4.37Å; Y178-W181 WeakPolarHBondContact O-CB 3.36Å; Y178-W181 PolarHBondContact O-N 3.41Å; Y178-E182 WeakPolarHBondContact O-CG 3.4Å; Y178-E182 PolarHBondContact O-N 3.45Å; Y178-L189 HydrophobicContact CD1-CD1 4.19Å; Y178-L189 HydrophobicContact CD2-CD2 4.28Å; Y178-L189 HydrophobicContact CE1-CD1 3.64Å; Y178-L189 HydrophobicContact CE2-CD1 4.36Å; Y178-L189 HydrophobicContact CE2-CD2 4.31Å; Y178-L189 HydrophobicContact CG-CD2 4.42Å; Y178-I390 HydrophobicContact CE1-CB 4.24Å; Y178-I390 HydrophobicContact CE1-CG2 3.88Å; Y178-M391 HydrophobicContact CD1-CB 3.79Å; Y178-M391 HydrophobicContact CD1-CG 4.39Å; Y178-M391 HydrophobicContact CD2-CB 4.43Å; Y178-M391 HydrophobicContact CD2-CG 4.18Å; Y178-M391 VanDerWaalsContact CE1-CA 3.48Å; Y178-M391 HydrophobicContact CE1-CB 3.56Å; Y178-M391 HydrophobicContact CE1-CG 4.28Å; Y178-M391 HydrophobicContact CE2-CB 4.25Å; Y178-M391 HydrophobicContact CE2-CG 4.08Å; Y178-M391 HydrophobicContact CG-CB 4.22Å; Y178-M391 HydrophobicContact CG-CG 4.34Å; Y178-M391 HydrophobicContact CG-SD 4.5Å; Y178-T409 HydrophobicContact CE2-CG2 4.31Å; Y178-T409 PolarHBondContact OH-OG1 2.9Å
179	K	98.2	Very high	97.7	Very high	37 Å²	37	26.8 Å²	26.8	16%	0.161	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-42.8	177.8	-172.5	61.1	-173.7	139.7	0	112.2	L175 M176 L177 W181 E182 D183 W309 L383	L175-K179 VanDerWaalsContact O-CB 3.26Å; L175-K179 WeakPolarHBondContact O-CB 3.46Å; L175-K179 PolarHBondContact O-N 3.03Å; M176-K179 PolarHBondContact O-N 3.32Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 3.48Å; K179-W181 PolarHBondContact O-N 3.45Å; K179-E182 IonicContact NZ-OE2 2.87Å; K179-E182 PolarHBondContact O-N 2.96Å; K179-D183 WeakPolarHBondContact CE-OD1 3.44Å; K179-D183 IonicContact NZ-OD1 3.65Å; K179-D183 PolarHBondContact NZ-OD1 3.27Å; K179-D183 IonicContact NZ-OD2 3.7Å; K179-D183 WeakPolarHBondContact O-CB 3.49Å; K179-D183 PolarHBondContact O-N 3.44Å; K179-W309 HydrophobicContact CB-CH2 3.96Å; K179-W309 HydrophobicContact CB-CZ2 4.33Å; K179-W309 HydrophobicContact CG-CH2 4.11Å; K179-W309 HydrophobicContact CG-CZ2 4.17Å; K179-L383 HydrophobicContact CB-CD2 4.11Å; K179-L383 HydrophobicContact CD-CD2 4.11Å
180	L	98.4	Very high	97.6	Very high	5 Å²	5	30 Å²	30	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-31.4	175.3	-68.1	178.5	0	0	0	112.5	M176 L177 G184 K185 I186 M297 V302 W309	M176-L180 HydrophobicContact CE-CD1 3.84Å; M176-L180 HydrophobicContact CG-CD1 3.95Å; M176-L180 HydrophobicContact CG-CG 4.28Å; M176-L180 WeakPolarHBondContact O-CB 3.33Å; M176-L180 VanDerWaalsContact O-CG 3.28Å; M176-L180 WeakPolarHBondContact O-CG 3.36Å; M176-L180 PolarHBondContact O-N 3.42Å; L177-L180 PolarHBondContact O-N 3.3Å; L180-G184 PolarHBondContact O-N 2.96Å; L180-K185 HydrophobicContact CB-CB 4.2Å; L180-K185 HydrophobicContact CD2-CB 4.03Å; L180-K185 HydrophobicContact CD2-CG 4.11Å; L180-K185 WeakPolarHBondContact O-CA 3.3Å; L180-K185 WeakPolarHBondContact O-CB 3.45Å; L180-K185 PolarHBondContact O-N 3.24Å; L180-I186 HydrophobicContact CB-CG1 4.35Å; L180-I186 PolarHBondContact O-N 3.05Å; L180-M297 HydrophobicContact CD1-CB 3.86Å; L180-M297 HydrophobicContact CD1-CG 4.4Å; L180-M297 HydrophobicContact CD1-SD 4.48Å; L180-V302 HydrophobicContact CD1-CG2 4.05Å; L180-V302 HydrophobicContact CD2-CG2 3.6Å; L180-V302 HydrophobicContact CG-CG2 4.47Å; L180-W309 HydrophobicContact CD2-CZ2 4.48Å
181	W	98.3	Very high	97.4	Very high	72 Å²	72	31 Å²	31	27%	0.273	18%	0.178	S	C	.	.	H	α-helix	trans	-69.5	-47.4	174.2	175.8	54.8	0	0	0	111.9	L177 Y178 K179 D183 G184 I186 L189 I390	L177-W181 PolarHBondContact O-N 3.23Å; L177-W181 VanDerWaalsContact O-N 3.08Å; Y178-W181 HydrophobicContact CD1-CE3 4.37Å; Y178-W181 WeakPolarHBondContact O-CB 3.36Å; Y178-W181 PolarHBondContact O-N 3.41Å; K179-W181 PolarHBondContact O-N 3.45Å; W181-D183 VanDerWaalsContact C-N 3.3Å; W181-D183 PolarHBondContact O-N 3.24Å; W181-G184 PolarHBondContact O-N 3.17Å; W181-G184 VanDerWaalsContact O-N 3.09Å; W181-I186 VanDerWaalsContact CA-CG1 3.48Å; W181-I186 HydrophobicContact CB-CD1 3.92Å; W181-I186 HydrophobicContact CB-CG1 3.76Å; W181-L189 HydrophobicContact CB-CD2 3.81Å; W181-L189 HydrophobicContact CB-CG 4.27Å; W181-L189 HydrophobicContact CD2-CD1 4.04Å; W181-L189 HydrophobicContact CD2-CD2 4.22Å; W181-L189 HydrophobicContact CD2-CG 3.82Å; W181-L189 HydrophobicContact CE3-CD1 3.88Å; W181-L189 HydrophobicContact CE3-CD2 4.39Å; W181-L189 HydrophobicContact CE3-CG 4.13Å; W181-L189 HydrophobicContact CG-CD2 3.98Å; W181-L189 HydrophobicContact CG-CG 3.88Å; W181-L189 HydrophobicContact CZ3-CD1 4.2Å; W181-I390 HydrophobicContact CH2-CD1 3.65Å; W181-I390 HydrophobicContact CZ3-CD1 4.03Å
182	E	97	Very high	97.2	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-40.9	174.3	-72.3	-172.1	148.9	0	0	112.8	Y178 K179 G184 L383 E384 S387	Y178-E182 WeakPolarHBondContact O-CG 3.4Å; Y178-E182 PolarHBondContact O-N 3.45Å; K179-E182 IonicContact NZ-OE2 2.87Å; K179-E182 PolarHBondContact O-N 2.96Å; E182-G184 PolarHBondContact O-N 2.86Å; E182-L383 WeakPolarHBondContact OE2-CA 3.26Å; E182-L383 VanDerWaalsContact OE2-CD2 3.25Å; E182-L383 WeakPolarHBondContact OE2-CD2 3.45Å; E182-E384 WeakPolarHBondContact OE1-CB 3.49Å; E182-E384 PolarHBondContact OE1-N 3.24Å; E182-S387 WeakPolarHBondContact CG-OG 3.5Å; E182-S387 WeakPolarHBondContact OE1-CB 3.43Å; E182-S387 PolarHBondContact OE1-OG 3.19Å
183	D	96.6	Very high	97	Very high	82 Å²	82	32.4 Å²	32.4	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	3.3	-179.6	-64.6	-12.5	0	0	0	112.5	K179 W181 K185	K179-D183 WeakPolarHBondContact CE-OD1 3.44Å; K179-D183 IonicContact NZ-OD1 3.65Å; K179-D183 PolarHBondContact NZ-OD1 3.27Å; K179-D183 IonicContact NZ-OD2 3.7Å; K179-D183 WeakPolarHBondContact O-CB 3.49Å; K179-D183 PolarHBondContact O-N 3.44Å; W181-D183 VanDerWaalsContact C-N 3.3Å; W181-D183 PolarHBondContact O-N 3.24Å; D183-K185 HydrophobicContact CB-CG 4.15Å; D183-K185 PolarHBondContact O-N 3.35Å
184	G	97.1	Very high	96.7	Very high	61 Å²	61	36.3 Å²	36.3	63%	0.629	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	14.9	179.4	0	0	0	0	0	114.4	L180 W181 E182 I186	L180-G184 PolarHBondContact O-N 2.96Å; W181-G184 PolarHBondContact O-N 3.17Å; W181-G184 VanDerWaalsContact O-N 3.09Å; E182-G184 PolarHBondContact O-N 2.86Å; G184-I186 VanDerWaalsContact C-N 3.35Å
185	K	97.4	Very high	96.5	Very high	134 Å²	134	41.5 Å²	41.5	58%	0.583	23%	0.228	S	C	*	.	S	Bend	trans	-76.2	-25.8	177.8	-61.7	-63.4	-175.4	-179.7	0	112.3	L180 D183 V301	L180-K185 HydrophobicContact CB-CB 4.2Å; L180-K185 HydrophobicContact CD2-CB 4.03Å; L180-K185 HydrophobicContact CD2-CG 4.11Å; L180-K185 WeakPolarHBondContact O-CA 3.3Å; L180-K185 WeakPolarHBondContact O-CB 3.45Å; L180-K185 PolarHBondContact O-N 3.24Å; D183-K185 HydrophobicContact CB-CG 4.15Å; D183-K185 PolarHBondContact O-N 3.35Å; K185-V301 HydrophobicContact CB-CG1 3.84Å
186	I	96.6	Very high	96.3	Very high	4 Å²	4	43 Å²	43	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-121.4	144.7	165.7	62.7	169.7	0	0	0	109.3	L177 L180 W181 G184 L189 Y196 L238 M297 V301	L177-I186 HydrophobicContact CD1-CD1 3.35Å; L177-I186 HydrophobicContact CG-CD1 4.46Å; L180-I186 HydrophobicContact CB-CG1 4.35Å; L180-I186 PolarHBondContact O-N 3.05Å; W181-I186 VanDerWaalsContact CA-CG1 3.48Å; W181-I186 HydrophobicContact CB-CD1 3.92Å; W181-I186 HydrophobicContact CB-CG1 3.76Å; G184-I186 VanDerWaalsContact C-N 3.35Å; I186-L189 HydrophobicContact CD1-CD2 4.43Å; I186-Y196 VanDerWaalsContact CB-OH 3.32Å; I186-Y196 WeakPolarHBondContact CB-OH 3.26Å; I186-Y196 HydrophobicContact CG2-CE1 3.87Å; I186-Y196 WeakPolarHBondContact CG2-OH 3.32Å; I186-L238 HydrophobicContact CD1-CD1 3.74Å; I186-M297 HydrophobicContact CG2-SD 4.08Å; I186-V301 HydrophobicContact CG2-CG1 4.18Å; I186-V301 HydrophobicContact CG2-CG2 4.3Å
187	A	94.3	Very high	96	Very high	77 Å²	77	43.1 Å²	43.1	64%	0.636	24%	0.235	S	C	*	.	S	Bend	trans	-79.4	-35.6	-173.6	0	0	0	0	0	111.5	D191	A187-D191 PolarHBondContact N-OD2 3.14Å
188	S	96.1	Very high	95.4	Very high	37 Å²	37	51.3 Å²	51.3	26%	0.259	27%	0.273	S	S	.	.			trans	-147.6	145	179.8	-178.5	0	0	0	0	111.4	D190 D191	S188-D190 PolarHBondContact O-N 3.3Å; S188-D190 PolarHBondContact OG-N 3.17Å; S188-D191 PolarHBondContact N-OD2 3.12Å; S188-D191 VanDerWaalsContact O-CB 3.31Å; S188-D191 WeakPolarHBondContact O-CB 3.35Å; S188-D191 PolarHBondContact O-N 3.33Å; S188-D191 VanDerWaalsContact O-N 3.11Å
189	L	96.1	Very high	94.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	166.6	-62.8	171.1	0	0	0	111.5	L177 Y178 W181 I186 D191 L238 R239 I390	L177-L189 HydrophobicContact CD1-CD2 4.09Å; L177-L189 HydrophobicContact CD2-CD2 4.09Å; L177-L189 HydrophobicContact CG-CD2 3.69Å; Y178-L189 HydrophobicContact CD1-CD1 4.19Å; Y178-L189 HydrophobicContact CD2-CD2 4.28Å; Y178-L189 HydrophobicContact CE1-CD1 3.64Å; Y178-L189 HydrophobicContact CE2-CD1 4.36Å; Y178-L189 HydrophobicContact CE2-CD2 4.31Å; Y178-L189 HydrophobicContact CG-CD2 4.42Å; W181-L189 HydrophobicContact CB-CD2 3.81Å; W181-L189 HydrophobicContact CB-CG 4.27Å; W181-L189 HydrophobicContact CD2-CD1 4.04Å; W181-L189 HydrophobicContact CD2-CD2 4.22Å; W181-L189 HydrophobicContact CD2-CG 3.82Å; W181-L189 HydrophobicContact CE3-CD1 3.88Å; W181-L189 HydrophobicContact CE3-CD2 4.39Å; W181-L189 HydrophobicContact CE3-CG 4.13Å; W181-L189 HydrophobicContact CG-CD2 3.98Å; W181-L189 HydrophobicContact CG-CG 3.88Å; W181-L189 HydrophobicContact CZ3-CD1 4.2Å; I186-L189 HydrophobicContact CD1-CD2 4.43Å; L189-D191 VanDerWaalsContact C-N 3.34Å; L189-L238 WeakPolarHBondContact O-CB 3.36Å; L189-R239 HydrophobicContact CB-CB 4.17Å; L189-R239 HydrophobicContact CB-CG 4.47Å; L189-R239 WeakPolarHBondContact O-CB 3.41Å; L189-R239 PolarHBondContact O-N 3.45Å; L189-I390 HydrophobicContact CD1-CG2 4.33Å
190	D	95.4	Very high	94	Very high	68 Å²	68	56.2 Å²	56.2	36%	0.364	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	13.2	177.4	-56.1	-52.8	0	0	0	113	S188 T237 R239	S188-D190 PolarHBondContact O-N 3.3Å; S188-D190 PolarHBondContact OG-N 3.17Å; D190-T237 VanDerWaalsContact O-CG2 3.27Å; D190-T237 WeakPolarHBondContact O-CG2 3.35Å; D190-R239 WeakPolarHBondContact OD1-CB 3.45Å; D190-R239 WeakPolarHBondContact OD1-CD 3.39Å; D190-R239 IonicContact OD1-CZ 3.79Å; D190-R239 IonicContact OD1-NE 3.26Å; D190-R239 PolarHBondContact OD1-NE 3.45Å; D190-R239 IonicContact OD1-NH2 2.74Å; D190-R239 IonicContact OD2-CZ 3.15Å; D190-R239 IonicContact OD2-NE 2.9Å; D190-R239 PolarHBondContact OD2-NE 3.41Å; D190-R239 IonicContact OD2-NH2 2.87Å; D190-R239 PolarHBondContact OD2-NH2 3.11Å
191	D	94.9	Very high	93.5	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.102	32%	0.322	C	S	.	.			trans	-57.8	134.5	170.4	-81.2	-37.6	0	0	0	109.7	A187 S188 L189 K195 Y196 T237 L238	A187-D191 PolarHBondContact N-OD2 3.14Å; S188-D191 PolarHBondContact N-OD2 3.12Å; S188-D191 VanDerWaalsContact O-CB 3.31Å; S188-D191 WeakPolarHBondContact O-CB 3.35Å; S188-D191 PolarHBondContact O-N 3.33Å; S188-D191 VanDerWaalsContact O-N 3.11Å; L189-D191 VanDerWaalsContact C-N 3.34Å; D191-K195 HydrophobicContact CB-CD 4.01Å; D191-K195 IonicContact OD1-NZ 3.56Å; D191-K195 PolarHBondContact OD1-NZ 3.15Å; D191-K195 IonicContact OD2-NZ 3.15Å; D191-K195 PolarHBondContact OD2-NZ 3.12Å; D191-Y196 HydrophobicContact CB-CE2 3.68Å; D191-Y196 PolarHBondContact OD2-OH 2.97Å; D191-T237 WeakPolarHBondContact O-CA 3.36Å; D191-L238 HydrophobicContact CB-CD1 4.36Å; D191-L238 PolarHBondContact O-N 2.78Å; D191-L238 VanDerWaalsContact O-N 3.15Å
192	P	94.3	Very high	93.1	Very high	31 Å²	31	57.6 Å²	57.6	20%	0.201	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-67.4	143.9	175.9	27.5	-32.7	0	0	0	110.4	E194 K195	P192-E194 VanDerWaalsContact CB-OE2 3.23Å; P192-E194 WeakPolarHBondContact CB-OE2 3.41Å; P192-E194 PolarHBondContact O-N 3.49Å; P192-K195 HydrophobicContact CG-CB 4.32Å; P192-K195 WeakPolarHBondContact O-CB 3.39Å; P192-K195 PolarHBondContact O-N 3.07Å
193	L	94.8	Very high	92.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.6	179.6	-177.8	63.2	0	0	0	112	K195 Y196 V197 F200 V236 L238 M241 L292 V296	L193-K195 PolarHBondContact O-N 3.21Å; L193-K195 VanDerWaalsContact O-N 3.09Å; L193-Y196 PolarHBondContact O-N 2.9Å; L193-V197 HydrophobicContact CD1-CG2 4.06Å; L193-V197 HydrophobicContact CG-CG2 4.23Å; L193-V197 PolarHBondContact O-N 3.21Å; L193-F200 HydrophobicContact CB-CE1 4.5Å; L193-F200 HydrophobicContact CD2-CD1 4.43Å; L193-F200 HydrophobicContact CD2-CD2 3.98Å; L193-F200 HydrophobicContact CD2-CE1 4.11Å; L193-F200 HydrophobicContact CD2-CE2 3.64Å; L193-F200 HydrophobicContact CD2-CG 4.37Å; L193-F200 HydrophobicContact CD2-CZ 3.72Å; L193-V236 HydrophobicContact CB-CG1 4.38Å; L193-V236 WeakPolarHBondContact CB-O 3.42Å; L193-V236 HydrophobicContact CD2-CG1 4.39Å; L193-V236 PolarHBondContact N-O 2.9Å; L193-L238 HydrophobicContact CD1-CD2 4.29Å; L193-M241 HydrophobicContact CB-SD 4.3Å; L193-M241 HydrophobicContact CD1-CE 4.33Å; L193-M241 HydrophobicContact CD1-SD 4.07Å; L193-M241 HydrophobicContact CD2-CE 3.95Å; L193-M241 HydrophobicContact CD2-SD 3.92Å; L193-M241 HydrophobicContact CG-SD 4.33Å; L193-L292 HydrophobicContact CD2-CD2 3.67Å; L193-L292 HydrophobicContact CD2-CG 4.26Å; L193-V296 HydrophobicContact CD1-CB 4.38Å; L193-V296 HydrophobicContact CD1-CG1 3.96Å; L193-V296 HydrophobicContact CD1-CG2 4.37Å
194	E	92.9	Very high	92.5	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-52.5	-28.7	174.9	-65.2	77.1	-177	0	0	112.8	P192 Y196 F200	P192-E194 VanDerWaalsContact CB-OE2 3.23Å; P192-E194 WeakPolarHBondContact CB-OE2 3.41Å; P192-E194 PolarHBondContact O-N 3.49Å; E194-Y196 PolarHBondContact O-N 3.14Å; E194-F200 HydrophobicContact CG-CD1 3.86Å
195	K	93.7	Very high	92	Very high	109 Å²	109	59.5 Å²	59.5	47%	0.474	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-65	-27.8	177.7	-174.2	-178.5	178.9	-177.7	0	112.8	D191 P192 L193	D191-K195 HydrophobicContact CB-CD 4.01Å; D191-K195 IonicContact OD1-NZ 3.56Å; D191-K195 PolarHBondContact OD1-NZ 3.15Å; D191-K195 IonicContact OD2-NZ 3.15Å; D191-K195 PolarHBondContact OD2-NZ 3.12Å; P192-K195 HydrophobicContact CG-CB 4.32Å; P192-K195 WeakPolarHBondContact O-CB 3.39Å; P192-K195 PolarHBondContact O-N 3.07Å; L193-K195 PolarHBondContact O-N 3.21Å; L193-K195 VanDerWaalsContact O-N 3.09Å
196	Y	94.8	Very high	91.4	Very high	35 Å²	35	57.1 Å²	57.1	14%	0.137	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-9.4	-173.4	-58.2	-79.4	0	0	0	113.3	I186 D191 L193 E194 L238 M297 V301	I186-Y196 VanDerWaalsContact CB-OH 3.32Å; I186-Y196 WeakPolarHBondContact CB-OH 3.26Å; I186-Y196 HydrophobicContact CG2-CE1 3.87Å; I186-Y196 WeakPolarHBondContact CG2-OH 3.32Å; D191-Y196 HydrophobicContact CB-CE2 3.68Å; D191-Y196 PolarHBondContact OD2-OH 2.97Å; L193-Y196 PolarHBondContact O-N 2.9Å; E194-Y196 PolarHBondContact O-N 3.14Å; Y196-L238 HydrophobicContact CD2-CD1 4.43Å; Y196-L238 HydrophobicContact CD2-CD2 4.23Å; Y196-L238 HydrophobicContact CE2-CD1 3.72Å; Y196-L238 HydrophobicContact CE2-CD2 4.29Å; Y196-L238 HydrophobicContact CE2-CG 4.25Å; Y196-M297 HydrophobicContact CD1-CE 4.09Å; Y196-M297 HydrophobicContact CD2-CE 3.9Å; Y196-M297 HydrophobicContact CE1-CE 4.49Å; Y196-M297 HydrophobicContact CE2-CE 4.33Å; Y196-M297 HydrophobicContact CG-CE 3.76Å; Y196-V301 HydrophobicContact CD1-CG2 3.6Å; Y196-V301 HydrophobicContact CE1-CG2 3.82Å
197	V	92.4	Very high	90.1	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	33%	0.325	C	S	.	.	S	Bend	trans	-132.1	108.3	-174.7	-177.2	0	0	0	0	109.2	L193 N199 F200 I267 V296	L193-V197 HydrophobicContact CD1-CG2 4.06Å; L193-V197 HydrophobicContact CG-CG2 4.23Å; L193-V197 PolarHBondContact O-N 3.21Å; V197-N199 PolarHBondContact O-N 3.2Å; V197-F200 HydrophobicContact CB-CB 3.9Å; V197-F200 HydrophobicContact CG1-CB 3.84Å; V197-F200 PolarHBondContact O-N 2.89Å; V197-I267 HydrophobicContact CG1-CB 4.46Å; V197-I267 HydrophobicContact CG1-CD1 3.42Å; V197-I267 VanDerWaalsContact CG1-CD1 3.42Å; V197-I267 HydrophobicContact CG1-CG1 3.86Å; V197-I267 HydrophobicContact CG1-CG2 3.77Å; V197-I267 HydrophobicContact CG2-CD1 4.38Å; V197-V296 HydrophobicContact CG2-CB 4.27Å; V197-V296 HydrophobicContact CG2-CG1 3.5Å; V197-V296 VanDerWaalsContact CG2-CG1 3.5Å; V197-V296 HydrophobicContact CG2-CG2 3.66Å
198	E	85.2	Confident	88.2	Confident	172 Å²	172	64.2 Å²	64.2	80%	0.804	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	134.9	171.9	-64.7	179.4	-176.4	0	0	110.6	F200	E198-F200 PolarHBondContact O-N 3.39Å
199	N	80.1	Confident	86	Confident	130 Å²	130	68 Å²	68	70%	0.695	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	26.2	179.4	-54.5	-39.9	0	0	0	114.8	V197 T201 Q271	V197-N199 PolarHBondContact O-N 3.2Å; N199-T201 PolarHBondContact O-N 2.95Å; N199-Q271 PolarHBondContact O-NE2 3.23Å; N199-Q271 VanDerWaalsContact O-NE2 3.14Å
200	F	87.7	Confident	83.5	Confident	10 Å²	10	79.4 Å²	79.4	4%	0.044	40%	0.399	C	S	.	.			trans	-65.4	119.4	167.7	-179.4	-101.1	0	0	0	109.9	L193 E194 V197 E198 I202 V236 L270 L292	L193-F200 HydrophobicContact CB-CE1 4.5Å; L193-F200 HydrophobicContact CD2-CD1 4.43Å; L193-F200 HydrophobicContact CD2-CD2 3.98Å; L193-F200 HydrophobicContact CD2-CE1 4.11Å; L193-F200 HydrophobicContact CD2-CE2 3.64Å; L193-F200 HydrophobicContact CD2-CG 4.37Å; L193-F200 HydrophobicContact CD2-CZ 3.72Å; E194-F200 HydrophobicContact CG-CD1 3.86Å; V197-F200 HydrophobicContact CB-CB 3.9Å; V197-F200 HydrophobicContact CG1-CB 3.84Å; V197-F200 PolarHBondContact O-N 2.89Å; E198-F200 PolarHBondContact O-N 3.39Å; F200-I202 HydrophobicContact CE1-CG2 4.13Å; F200-I202 HydrophobicContact CZ-CG2 3.97Å; F200-V236 HydrophobicContact CE1-CB 4.48Å; F200-L270 HydrophobicContact CE2-CD1 4Å; F200-L292 HydrophobicContact CE2-CD2 4.42Å
201	T	87.3	Confident	80.9	Confident	77 Å²	77	83.2 Å²	83.2	47%	0.472	42%	0.419	S	S	.	.			trans	-142	145.4	172.3	53.7	0	0	0	0	108.7	N199 L270 Q271	N199-T201 PolarHBondContact O-N 2.95Å; T201-L270 CarbonylContact O-C 3.32Å; T201-Q271 VanDerWaalsContact O-CA 3.28Å; T201-Q271 WeakPolarHBondContact O-CA 3.35Å; T201-Q271 PolarHBondContact O-N 2.88Å; T201-Q271 WeakPolarHBondContact OG1-CG 3.41Å
202	I	90.8	Very high	78.5	Confident	28 Å²	28	87.2 Å²	87.2	14%	0.144	45%	0.448	C	S	.	.			trans	-149.9	141.3	170.3	-175.2	162.8	0	0	0	108	F200 N204 L248 L270 D273 L275	F200-I202 HydrophobicContact CE1-CG2 4.13Å; F200-I202 HydrophobicContact CZ-CG2 3.97Å; I202-N204 PolarHBondContact O-N 3.31Å; I202-L248 HydrophobicContact CD1-CD2 3.92Å; I202-L270 HydrophobicContact CD1-CD2 4.1Å; I202-D273 HydrophobicContact CD1-CB 4.37Å; I202-L275 HydrophobicContact CD1-CD2 3.77Å; I202-L275 HydrophobicContact CD1-CG 4.27Å; I202-L275 HydrophobicContact CG1-CD2 4.25Å; I202-L275 HydrophobicContact CG1-CG 4.27Å; I202-L275 HydrophobicContact CG2-CD1 4.39Å; I202-L275 HydrophobicContact CG2-CD2 3.92Å; I202-L275 HydrophobicContact CG2-CG 4.02Å
203	K	91.1	Very high	76.1	Confident	105 Å²	105	93.9 Å²	93.9	46%	0.457	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-75	127.9	-175.3	-63.9	165.4	-170.1	162	0	109.2	P205 D272 D273 V274 L275	K203-P205 WeakPolarHBondContact O-CD 3.32Å; K203-D272 IonicContact NZ-OD1 2.75Å; K203-D272 PolarHBondContact NZ-OD1 3.26Å; K203-D273 WeakPolarHBondContact CB-O 3.06Å; K203-D273 PolarHBondContact N-O 3.16Å; K203-V274 HydrophobicContact CB-CG1 3.89Å; K203-V274 CarbonylContact O-C 3.59Å; K203-V274 VanDerWaalsContact O-CA 3.25Å; K203-V274 WeakPolarHBondContact O-CA 3.15Å; K203-L275 PolarHBondContact O-N 2.91Å
204	N	90.3	Very high	73.7	Confident	44 Å²	44	101.6 Å²	101.6	24%	0.235	52%	0.517	C	S	.	.			trans	-109.4	85.5	172	-172.7	1.5	0	0	0	110.6	I202 L206 G207 S234 L275 D278	I202-N204 PolarHBondContact O-N 3.31Å; N204-L206 PolarHBondContact O-N 3.2Å; N204-L206 PolarHBondContact OD1-N 2.94Å; N204-G207 PolarHBondContact OD1-N 2.89Å; N204-S234 PolarHBondContact ND2-OG 2.64Å; N204-L275 HydrophobicContact CB-CD1 3.88Å; N204-D278 PolarHBondContact ND2-OD1 3.39Å
205	P	85.9	Confident	71.2	Confident	85 Å²	85	106.9 Å²	106.9	55%	0.552	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.5	175.4	29.9	-33.8	0	0	0	112.9	K203 V274	K203-P205 WeakPolarHBondContact O-CD 3.32Å; P205-V274 HydrophobicContact CG-CB 4.26Å; P205-V274 HydrophobicContact CG-CG1 4.25Å
206	L	84.1	Confident	68.9	Low	84 Å²	84	110.4 Å²	110.4	44%	0.44	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	-16.7	-173.6	-57.4	175.2	0	0	0	113.1	N204 K208 V276 D278	N204-L206 PolarHBondContact O-N 3.2Å; N204-L206 PolarHBondContact OD1-N 2.94Å; L206-K208 PolarHBondContact O-N 3.44Å; L206-V276 VanDerWaalsContact CD1-C 3.48Å; L206-V276 WeakPolarHBondContact CD1-O 3.45Å; L206-D278 HydrophobicContact CB-CB 4.36Å
207	G	70.3	Confident	66.4	Low	39 Å²	39	115.3 Å²	115.3	40%	0.402	58%	0.584	S	S	.	*			trans	-69.8	23.3	-180	0	0	0	0	0	115.3	N204 D278	N204-G207 PolarHBondContact OD1-N 2.89Å; G207-D278 WeakPolarHBondContact CA-OD1 3.31Å
208	K	55.3	Low	64	Low	190 Å²	190	121.4 Å²	121.4	83%	0.826	62%	0.621	S	S	*	*			trans	-127.2	79.6	177.6	-71.2	-172.8	179.8	-179.7	0	110.8	L206	L206-K208 PolarHBondContact O-N 3.44Å
209	T	49.2	Very low	61.9	Low	116 Å²	116	118.4 Å²	118.4	71%	0.712	61%	0.61	S	S	*	*			trans	-109.8	107.4	147.8	29.2	0	0	0	0	108.5	D211	T209-D211 PolarHBondContact O-N 2.97Å; T209-D211 VanDerWaalsContact O-N 3.1Å
210	R	43.3	Very low	60.2	Low	241 Å²	241	115.5 Å²	115.5	91%	0.909	61%	0.611	S	S	*	*			trans	-82.5	46.4	178.3	-153.3	179.9	-179.4	-174.8	-1.7	109.9
211	D	40.5	Very low	58	Low	148 Å²	148	120.9 Å²	120.9	79%	0.791	64%	0.64	S	S	*	*			trans	-120.4	74.2	167.9	-81.9	-28.2	0	0	0	107.8	T209 E213	T209-D211 PolarHBondContact O-N 2.97Å; T209-D211 VanDerWaalsContact O-N 3.1Å; D211-E213 PolarHBondContact O-N 2.89Å
212	S	45.3	Very low	55.8	Low	103 Å²	103	121.7 Å²	121.7	72%	0.72	64%	0.64	S	S	*	*			trans	-58.8	86.5	153.9	44.5	0	0	0	0	109.1
213	E	43.8	Very low	53.3	Low	171 Å²	171	128.4 Å²	128.4	80%	0.799	67%	0.669	S	S	*	*	S	Bend	trans	-176.9	114.4	147.9	-102.4	167.1	-161	0	0	109.3	D211	D211-E213 PolarHBondContact O-N 2.89Å
214	L	44.9	Very low	50.9	Low	161 Å²	161	126.5 Å²	126.5	84%	0.843	66%	0.663	S	S	*	*	S	Bend	trans	63.4	80.6	170.8	-69.3	106.6	0	0	0	118.8
215	K	40.2	Very low	48.8	Very low	194 Å²	194	133.3 Å²	133.3	84%	0.843	70%	0.7	S	S	*	*			trans	-175.8	57.2	138.5	-109.4	174.1	-177	179	0	114.6
216	Y	44.2	Very low	46.9	Very low	183 Å²	183	133.3 Å²	133.3	72%	0.718	70%	0.702	S	S	*	*			trans	-137.7	70	163.6	-63.3	-75.8	0	0	0	109.9
217	V	43	Very low	45	Very low	138 Å²	138	132.6 Å²	132.6	84%	0.836	71%	0.714	S	S	*	*			trans	-98.7	94.6	161.6	-176.8	0	0	0	0	105.3
218	T	41	Very low	43.4	Very low	130 Å²	130	136.6 Å²	136.6	80%	0.798	72%	0.723	S	S	*	*	S	Bend	trans	161.2	-9.5	136.9	46.1	0	0	0	0	114.5	G220	T218-G220 PolarHBondContact O-N 2.88Å
219	D	42.2	Very low	42.7	Very low	109 Å²	109	132.4 Å²	132.4	58%	0.583	71%	0.713	S	S	*	*	S	Bend	trans	-99.2	91.8	178.1	-85.3	6.6	0	0	0	111.5	R240	D219-R240 IonicContact OD2-CZ 2.77Å; D219-R240 IonicContact OD2-NE 3.58Å; D219-R240 IonicContact OD2-NH2 3.75Å; D219-R240 PolarHBondContact OD2-NH2 2.85Å
220	G	44	Very low	42.2	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	71%	0.711	S	S	*	*			trans	57.6	77.5	154.6	0	0	0	0	0	117.4	T218 I222	T218-G220 PolarHBondContact O-N 2.88Å; G220-I222 PolarHBondContact O-N 3.21Å
221	L	40.5	Very low	42.2	Very low	124 Å²	124	129.6 Å²	129.6	65%	0.649	71%	0.705	S	S	*	*			trans	-69.1	112.3	155.5	-70.4	171.2	0	0	0	108.3	F223 V229	L221-F223 HydrophobicContact CB-CD2 4.43Å; L221-F223 HydrophobicContact CB-CE2 4.06Å; L221-F223 HydrophobicContact CD1-CE2 4.27Å; L221-F223 HydrophobicContact CD1-CZ 4.17Å; L221-V229 HydrophobicContact CD2-CG1 4.4Å
222	I	41.1	Very low	42.6	Very low	93 Å²	93	130.4 Å²	130.4	48%	0.477	70%	0.697	S	S	.	*			trans	-85.7	109.4	159.7	-59.5	175.2	0	0	0	105.6	G220 L224	G220-I222 PolarHBondContact O-N 3.21Å; I222-L224 HydrophobicContact CG2-CD2 4.1Å; I222-L224 HydrophobicContact CG2-CG 4.36Å; I222-L224 PolarHBondContact O-N 3.4Å
223	F	39.5	Very low	43	Very low	169 Å²	169	130.1 Å²	130.1	74%	0.741	70%	0.696	S	S	*	*			trans	-76.2	105.5	162.7	-70.3	-83.9	0	0	0	106.8	L221	L221-F223 HydrophobicContact CB-CD2 4.43Å; L221-F223 HydrophobicContact CB-CE2 4.06Å; L221-F223 HydrophobicContact CD1-CE2 4.27Å; L221-F223 HydrophobicContact CD1-CZ 4.17Å
224	L	41.2	Very low	44.2	Very low	65 Å²	65	123.3 Å²	123.3	34%	0.34	67%	0.666	S	S	.	*			trans	-69	140.7	164.3	-64.8	169.7	0	0	0	107.3	I222 S226 G227 E228 Q230	I222-L224 HydrophobicContact CG2-CD2 4.1Å; I222-L224 HydrophobicContact CG2-CG 4.36Å; I222-L224 PolarHBondContact O-N 3.4Å; L224-S226 WeakPolarHBondContact CB-OG 3.26Å; L224-S226 PolarHBondContact O-N 3.25Å; L224-G227 PolarHBondContact O-N 2.82Å; L224-E228 HydrophobicContact CD1-CB 4.41Å; L224-Q230 HydrophobicContact CD1-CG 4.24Å
225	D	44.5	Very low	46.1	Very low	188 Å²	188	116.8 Å²	116.8	100%	1.005	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-13.1	174.8	-94.6	-15.1	0	0	0	113
226	S	47.7	Very low	48.6	Very low	84 Å²	84	107.7 Å²	107.7	59%	0.587	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-4.4	174.6	58.8	0	0	0	0	115.2	L224 E228	L224-S226 WeakPolarHBondContact CB-OG 3.26Å; L224-S226 PolarHBondContact O-N 3.25Å; S226-E228 VanDerWaalsContact C-N 3.27Å; S226-E228 PolarHBondContact O-N 2.87Å
227	G	43	Very low	51.1	Low	69 Å²	69	99.3 Å²	99.3	71%	0.711	56%	0.563	S	S	*	*			trans	74.9	7.6	-178.1	0	0	0	0	0	115.2	L224	L224-G227 PolarHBondContact O-N 2.82Å
228	E	36.9	Very low	53.7	Low	124 Å²	124	92.8 Å²	92.8	58%	0.579	52%	0.523	S	S	*	.			trans	-86.4	127.2	175.9	-71.3	-173.8	163.2	0	0	112	L224 S226	L224-E228 HydrophobicContact CD1-CB 4.41Å; S226-E228 VanDerWaalsContact C-N 3.27Å; S226-E228 PolarHBondContact O-N 2.87Å
229	V	41.7	Very low	56.4	Low	101 Å²	101	88.8 Å²	88.8	61%	0.612	49%	0.494	S	S	*	.			trans	-88.7	102.6	169.5	179.9	0	0	0	0	108.4	L221	L221-V229 HydrophobicContact CD2-CG1 4.4Å
230	Q	38.2	Very low	59	Low	144 Å²	144	85.3 Å²	85.3	67%	0.673	47%	0.473	S	S	*	.			trans	-81.9	121.7	168.6	-76	-169.7	-2.4	0	0	110.4	L224 R232	L224-Q230 HydrophobicContact CD1-CG 4.24Å; Q230-R232 PolarHBondContact O-N 3.11Å; Q230-R232 VanDerWaalsContact O-N 3.08Å
231	I	42.3	Very low	61.6	Low	155 Å²	155	82 Å²	82	80%	0.795	44%	0.439	S	S	*	.			trans	-67.8	103.5	166.1	-58.8	172.6	0	0	0	106.7	S233	I231-S233 PolarHBondContact O-N 2.86Å
232	R	48.8	Very low	64.4	Low	164 Å²	164	76.1 Å²	76.1	62%	0.619	41%	0.408	S	S	*	.			trans	-62.8	129.8	168.1	-90.5	-170.4	173.7	-167.8	-0.1	108.3	Q230 S234	Q230-R232 PolarHBondContact O-N 3.11Å; Q230-R232 VanDerWaalsContact O-N 3.08Å; R232-S234 PolarHBondContact O-N 3.27Å
233	S	54.2	Low	67.1	Low	98 Å²	98	71.8 Å²	71.8	69%	0.685	39%	0.385	S	S	*	.			trans	-48.2	130.5	157.3	179.7	0	0	0	0	107.9	I231 S235	I231-S233 PolarHBondContact O-N 2.86Å; S233-S235 PolarHBondContact O-N 3.1Å
234	S	68.8	Low	69.8	Low	27 Å²	27	63.9 Å²	63.9	19%	0.189	35%	0.351	C	S	.	.			trans	-52.5	101.9	171.5	43	0	0	0	0	109.5	N204 R232 D278 P279	N204-S234 PolarHBondContact ND2-OG 2.64Å; R232-S234 PolarHBondContact O-N 3.27Å; S234-D278 WeakPolarHBondContact CB-OD1 3.46Å; S234-D278 PolarHBondContact OG-OD1 3.05Å; S234-D278 PolarHBondContact OG-OD2 2.97Å; S234-P279 WeakPolarHBondContact O-CG 3.16Å
235	S	84.5	Confident	72.4	Confident	24 Å²	24	61.2 Å²	61.2	17%	0.168	34%	0.337	C	S	.	.			trans	-91.5	155.3	-177.9	61.2	0	0	0	0	111.7	S233 T237 R240 P279	S233-S235 PolarHBondContact O-N 3.1Å; S235-T237 PolarHBondContact O-N 2.84Å; S235-T237 WeakPolarHBondContact OG-CG2 3.49Å; S235-R240 PolarHBondContact O-NH1 2.64Å; S235-P279 VanDerWaalsContact O-CB 3.26Å; S235-P279 WeakPolarHBondContact O-CB 3.39Å
236	V	93.8	Very high	74.9	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	29%	0.289	C	S	.	.			trans	-78.5	96.8	169.5	176.9	0	0	0	0	107.9	L193 F200 M241 L248 L275 P279	L193-V236 HydrophobicContact CB-CG1 4.38Å; L193-V236 WeakPolarHBondContact CB-O 3.42Å; L193-V236 HydrophobicContact CD2-CG1 4.39Å; L193-V236 PolarHBondContact N-O 2.9Å; F200-V236 HydrophobicContact CE1-CB 4.48Å; V236-M241 HydrophobicContact CG1-CG 3.63Å; V236-M241 HydrophobicContact CG1-SD 3.79Å; V236-L248 HydrophobicContact CG1-CD1 4.08Å; V236-L248 HydrophobicContact CG1-CG 4.28Å; V236-L275 HydrophobicContact CG2-CD1 4.42Å; V236-L275 HydrophobicContact CG2-CD2 4.1Å; V236-P279 HydrophobicContact CG2-CG 4.19Å
237	T	96.1	Very high	77.2	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.043	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-93	159.7	178.1	70.8	0	0	0	0	112.3	D190 D191 S235 R239 R240 M241	D190-T237 VanDerWaalsContact O-CG2 3.27Å; D190-T237 WeakPolarHBondContact O-CG2 3.35Å; D191-T237 WeakPolarHBondContact O-CA 3.36Å; S235-T237 PolarHBondContact O-N 2.84Å; S235-T237 WeakPolarHBondContact OG-CG2 3.49Å; T237-R239 VanDerWaalsContact C-N 3.34Å; T237-R239 PolarHBondContact O-N 3.49Å; T237-R240 PolarHBondContact O-N 3.01Å; T237-R240 VanDerWaalsContact O-N 3.15Å; T237-R240 WeakPolarHBondContact OG1-CB 3.44Å; T237-R240 WeakPolarHBondContact OG1-CD 3.41Å; T237-R240 VanDerWaalsContact OG1-CG 3.24Å; T237-R240 WeakPolarHBondContact OG1-CG 3.39Å; T237-R240 PolarHBondContact OG1-N 2.87Å; T237-M241 WeakPolarHBondContact O-CG 3.38Å; T237-M241 PolarHBondContact O-N 2.84Å
238	L	98.1	Very high	79.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-44.4	179.6	-52	177.2	0	0	0	112	L177 I186 L189 D191 L193 Y196 R240 M241 A242 L293 M297	L177-L238 HydrophobicContact CD1-CB 3.68Å; L177-L238 HydrophobicContact CD1-CD1 3.7Å; L177-L238 HydrophobicContact CD1-CG 4.29Å; L177-L238 HydrophobicContact CD2-CB 4.05Å; I186-L238 HydrophobicContact CD1-CD1 3.74Å; L189-L238 WeakPolarHBondContact O-CB 3.36Å; D191-L238 HydrophobicContact CB-CD1 4.36Å; D191-L238 PolarHBondContact O-N 2.78Å; D191-L238 VanDerWaalsContact O-N 3.15Å; L193-L238 HydrophobicContact CD1-CD2 4.29Å; Y196-L238 HydrophobicContact CD2-CD1 4.43Å; Y196-L238 HydrophobicContact CD2-CD2 4.23Å; Y196-L238 HydrophobicContact CE2-CD1 3.72Å; Y196-L238 HydrophobicContact CE2-CD2 4.29Å; Y196-L238 HydrophobicContact CE2-CG 4.25Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.84Å; L238-M241 WeakPolarHBondContact O-CB 3.35Å; L238-M241 PolarHBondContact O-N 2.77Å; L238-A242 PolarHBondContact O-N 2.91Å; L238-L293 HydrophobicContact CB-CD1 4.04Å; L238-L293 HydrophobicContact CD2-CD1 3.7Å; L238-L293 HydrophobicContact CG-CD1 4.41Å; L238-M297 HydrophobicContact CD1-CE 4.14Å; L238-M297 HydrophobicContact CD1-SD 3.88Å; L238-M297 HydrophobicContact CD2-CE 3.66Å; L238-M297 HydrophobicContact CD2-SD 4.19Å
239	R	97.6	Very high	82.5	Confident	47 Å²	47	39.7 Å²	39.7	18%	0.177	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-41.3	176.5	-160.6	-169.9	-51.7	-117.2	7.9	111.4	L189 D190 T237 M241 A242 S243 L395 T409	L189-R239 HydrophobicContact CB-CB 4.17Å; L189-R239 HydrophobicContact CB-CG 4.47Å; L189-R239 WeakPolarHBondContact O-CB 3.41Å; L189-R239 PolarHBondContact O-N 3.45Å; D190-R239 WeakPolarHBondContact OD1-CB 3.45Å; D190-R239 WeakPolarHBondContact OD1-CD 3.39Å; D190-R239 IonicContact OD1-CZ 3.79Å; D190-R239 IonicContact OD1-NE 3.26Å; D190-R239 PolarHBondContact OD1-NE 3.45Å; D190-R239 IonicContact OD1-NH2 2.74Å; D190-R239 IonicContact OD2-CZ 3.15Å; D190-R239 IonicContact OD2-NE 2.9Å; D190-R239 PolarHBondContact OD2-NE 3.41Å; D190-R239 IonicContact OD2-NH2 2.87Å; D190-R239 PolarHBondContact OD2-NH2 3.11Å; T237-R239 VanDerWaalsContact C-N 3.34Å; T237-R239 PolarHBondContact O-N 3.49Å; R239-M241 VanDerWaalsContact C-N 3.35Å; R239-M241 PolarHBondContact O-N 3.3Å; R239-A242 CarbonylContact O-C 3.57Å; R239-A242 PolarHBondContact O-N 3Å; R239-S243 WeakPolarHBondContact O-CB 3.37Å; R239-S243 PolarHBondContact O-N 3.01Å; R239-S243 PolarHBondContact O-OG 2.83Å; R239-L395 HydrophobicContact CG-CD1 3.9Å; R239-T409 HydrophobicContact CG-CG2 3.98Å
240	R	97.2	Very high	85.1	Confident	36 Å²	36	41 Å²	41	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-37.8	177.8	-73.8	174.1	179.4	-175.4	-7.3	111.6	D219 S235 T237 L238 S243 Q244 L245 S246 P279	D219-R240 IonicContact OD2-CZ 2.77Å; D219-R240 IonicContact OD2-NE 3.58Å; D219-R240 IonicContact OD2-NH2 3.75Å; D219-R240 PolarHBondContact OD2-NH2 2.85Å; S235-R240 PolarHBondContact O-NH1 2.64Å; T237-R240 PolarHBondContact O-N 3.01Å; T237-R240 VanDerWaalsContact O-N 3.15Å; T237-R240 WeakPolarHBondContact OG1-CB 3.44Å; T237-R240 WeakPolarHBondContact OG1-CD 3.41Å; T237-R240 VanDerWaalsContact OG1-CG 3.24Å; T237-R240 WeakPolarHBondContact OG1-CG 3.39Å; T237-R240 PolarHBondContact OG1-N 2.87Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.84Å; R240-S243 WeakPolarHBondContact CA-OG 3.38Å; R240-S243 PolarHBondContact O-N 2.9Å; R240-S243 PolarHBondContact O-OG 3.17Å; R240-Q244 PolarHBondContact O-N 3.49Å; R240-L245 HydrophobicContact CB-CB 4.18Å; R240-L245 HydrophobicContact CG-CB 4.17Å; R240-L245 CarbonylContact O-C 3.55Å; R240-L245 PolarHBondContact O-N 3.17Å; R240-S246 PolarHBondContact O-N 3.4Å; R240-S246 VanDerWaalsContact O-N 3.08Å; R240-P279 PolarHBondContact NH1-O 3.38Å
241	M	98.4	Very high	87.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-45.4	172.3	-65.8	170.2	75.9	0	0	111.5	L193 V236 T237 L238 R239 S243 L248 A289 F290 L292 L293	L193-M241 HydrophobicContact CB-SD 4.3Å; L193-M241 HydrophobicContact CD1-CE 4.33Å; L193-M241 HydrophobicContact CD1-SD 4.07Å; L193-M241 HydrophobicContact CD2-CE 3.95Å; L193-M241 HydrophobicContact CD2-SD 3.92Å; L193-M241 HydrophobicContact CG-SD 4.33Å; V236-M241 HydrophobicContact CG1-CG 3.63Å; V236-M241 HydrophobicContact CG1-SD 3.79Å; T237-M241 WeakPolarHBondContact O-CG 3.38Å; T237-M241 PolarHBondContact O-N 2.84Å; L238-M241 WeakPolarHBondContact O-CB 3.35Å; L238-M241 PolarHBondContact O-N 2.77Å; R239-M241 VanDerWaalsContact C-N 3.35Å; R239-M241 PolarHBondContact O-N 3.3Å; M241-S243 PolarHBondContact O-N 2.98Å; M241-L248 HydrophobicContact CE-CD1 4.1Å; M241-L248 HydrophobicContact CG-CD1 4.24Å; M241-A289 HydrophobicContact CB-CB 4.16Å; M241-A289 VanDerWaalsContact CE-O 3.27Å; M241-A289 WeakPolarHBondContact CE-O 3.47Å; M241-A289 HydrophobicContact CG-CB 4.49Å; M241-F290 WeakPolarHBondContact O-CE2 3.47Å; M241-L292 HydrophobicContact CE-CB 3.84Å; M241-L292 HydrophobicContact CE-CD2 3.96Å; M241-L292 HydrophobicContact CE-CG 3.94Å; M241-L293 HydrophobicContact CB-CB 4.48Å; M241-L293 HydrophobicContact CE-CB 3.92Å
242	A	98.4	Very high	90.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70.6	-9.8	178.7	0	0	0	0	0	114.3	T174 L177 L238 R239 F290 L293 T409 P410	T174-A242 HydrophobicContact CG2-CB 4.48Å; L177-A242 HydrophobicContact CD2-CB 3.81Å; L238-A242 PolarHBondContact O-N 2.91Å; R239-A242 CarbonylContact O-C 3.57Å; R239-A242 PolarHBondContact O-N 3Å; A242-F290 VanDerWaalsContact O-CZ 3.24Å; A242-F290 WeakPolarHBondContact O-CZ 3.13Å; A242-L293 HydrophobicContact CB-CD2 3.92Å; A242-T409 HydrophobicContact CB-CG2 3.82Å; A242-T409 WeakPolarHBondContact O-CA 3.31Å; A242-P410 WeakPolarHBondContact O-CA 3.43Å
243	S	97.5	Very high	92.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	11.6	-175.4	55.7	0	0	0	0	115.6	R239 R240 M241 L245 T407 G408	R239-S243 WeakPolarHBondContact O-CB 3.37Å; R239-S243 PolarHBondContact O-N 3.01Å; R239-S243 PolarHBondContact O-OG 2.83Å; R240-S243 WeakPolarHBondContact CA-OG 3.38Å; R240-S243 PolarHBondContact O-N 2.9Å; R240-S243 PolarHBondContact O-OG 3.17Å; M241-S243 PolarHBondContact O-N 2.98Å; S243-L245 PolarHBondContact O-N 3.02Å; S243-T407 VanDerWaalsContact O-CG2 3.27Å; S243-T407 WeakPolarHBondContact O-CG2 3.43Å; S243-T407 PolarHBondContact O-OG1 3.12Å; S243-G408 WeakPolarHBondContact CA-O 3.07Å; S243-G408 WeakPolarHBondContact CB-O 3.37Å
244	Q	97.1	Very high	93.7	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	27.8	-177.4	-50	-71.3	22.3	0	0	113.5	R240 H284 S286 F290	R240-Q244 PolarHBondContact O-N 3.49Å; Q244-H284 WeakPolarHBondContact CB-O 3.31Å; Q244-H284 PolarHBondContact O-N 2.87Å; Q244-H284 PolarHBondContact OE1-O 2.59Å; Q244-S286 PolarHBondContact OE1-O 2.9Å; Q244-F290 HydrophobicContact CG-CE2 4.29Å
245	L	96.4	Very high	94.7	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	15%	0.153	C	C	.	.			trans	-114.9	6.3	-179.4	-64.7	174.3	0	0	0	112.7	R240 S243 G247 P279 G280 L395 F396 T407	R240-L245 HydrophobicContact CB-CB 4.18Å; R240-L245 HydrophobicContact CG-CB 4.17Å; R240-L245 CarbonylContact O-C 3.55Å; R240-L245 PolarHBondContact O-N 3.17Å; S243-L245 PolarHBondContact O-N 3.02Å; L245-G247 VanDerWaalsContact C-N 3.29Å; L245-G247 PolarHBondContact O-N 3.06Å; L245-P279 CarbonylContact O-C 3.48Å; L245-P279 WeakPolarHBondContact O-CA 3.49Å; L245-G280 PolarHBondContact O-N 2.86Å; L245-L395 HydrophobicContact CD1-CB 4.42Å; L245-F396 HydrophobicContact CD1-CB 3.64Å; L245-F396 HydrophobicContact CD1-CG 4.28Å; L245-F396 HydrophobicContact CD2-CB 3.92Å; L245-F396 HydrophobicContact CD2-CD1 3.93Å; L245-F396 HydrophobicContact CD2-CG 3.94Å; L245-F396 HydrophobicContact CG-CB 4.4Å; L245-T407 HydrophobicContact CD1-CG2 4.08Å; L245-T407 HydrophobicContact CD2-CG2 3.81Å; L245-T407 HydrophobicContact CG-CG2 3.88Å
246	S	96.3	Very high	95	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-73.5	-17.8	-177.8	57.8	0	0	0	0	114.3	R240 L248 P279	R240-S246 PolarHBondContact O-N 3.4Å; R240-S246 VanDerWaalsContact O-N 3.08Å; S246-L248 PolarHBondContact O-N 3.32Å; S246-L248 VanDerWaalsContact O-N 3.17Å; S246-L248 PolarHBondContact OG-N 2.87Å; S246-P279 WeakPolarHBondContact O-CG 3.45Å
247	G	95.1	Very high	94.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.			trans	69	4.1	-171.7	0	0	0	0	0	114.4	L245 L275 V276 A277	L245-G247 VanDerWaalsContact C-N 3.29Å; L245-G247 PolarHBondContact O-N 3.06Å; G247-L275 CarbonylContact O-C 3.57Å; G247-L275 WeakPolarHBondContact O-CA 3.08Å; G247-L275 WeakPolarHBondContact O-CD2 3.31Å; G247-V276 WeakPolarHBondContact O-CG2 3.4Å; G247-V276 PolarHBondContact O-N 2.75Å; G247-A277 WeakPolarHBondContact CA-O 3.31Å
248	L	96.8	Very high	94.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.198	C	C	.	.			trans	-64.9	143.4	174.5	-72.5	172.1	0	0	0	110.3	I202 V236 M241 S246 L275 H284 L288 A289 L292	I202-L248 HydrophobicContact CD1-CD2 3.92Å; V236-L248 HydrophobicContact CG1-CD1 4.08Å; V236-L248 HydrophobicContact CG1-CG 4.28Å; M241-L248 HydrophobicContact CE-CD1 4.1Å; M241-L248 HydrophobicContact CG-CD1 4.24Å; S246-L248 PolarHBondContact O-N 3.32Å; S246-L248 VanDerWaalsContact O-N 3.17Å; S246-L248 PolarHBondContact OG-N 2.87Å; L248-L275 HydrophobicContact CD2-CD2 4Å; L248-L275 HydrophobicContact CG-CD2 4.48Å; L248-H284 PolarHBondContact O-CD2 3.21Å; L248-H284 VanDerWaalsContact O-CD2 3.26Å; L248-L288 HydrophobicContact CB-CD2 4.35Å; L248-A289 HydrophobicContact CD1-CB 3.96Å; L248-L292 HydrophobicContact CD1-CD2 4.37Å
249	P	96	Very high	94.4	Very high	12 Å²	12	43.5 Å²	43.5	8%	0.078	21%	0.207	C	C	.	.			trans	-52.9	157	174.4	-26	33.4	0	0	0	112.6	R251 V274 V276 S286	P249-R251 PolarHBondContact O-N 2.98Å; P249-V274 WeakPolarHBondContact CG-O 3.24Å; P249-V276 HydrophobicContact CB-CG1 4.35Å; P249-V276 HydrophobicContact CG-CG1 4.28Å; P249-S286 PolarHBondContact O-OG 2.86Å
250	R	95.5	Very high	94.3	Very high	129 Å²	129	49 Å²	49	49%	0.487	23%	0.232	S	C	.	.	S	Bend	trans	-54.6	-33.8	178.9	-176.1	172.3	179.4	110.1	-2.5	113.3	H284 Y285 N287 L288	R250-H284 PolarHBondContact N-NE2 2.94Å; R250-Y285 HydrophobicContact CG-CD1 4.45Å; R250-Y285 VanDerWaalsContact NH1-CD1 3.29Å; R250-N287 WeakPolarHBondContact O-CB 3.36Å; R250-N287 PolarHBondContact O-N 2.86Å; R250-L288 PolarHBondContact O-N 2.92Å
251	R	95.5	Very high	94.1	Very high	106 Å²	106	48.5 Å²	48.5	40%	0.4	24%	0.237	S	C	.	.	S	Bend	trans	-159.8	156.9	-170.9	45.3	-174.3	-127.3	86.7	2	108.4	P249 T255	P249-R251 PolarHBondContact O-N 2.98Å; R251-T255 PolarHBondContact NH1-O 3.01Å; R251-T255 PolarHBondContact NH2-O 2.67Å
252	L	93.7	Very high	93.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	27%	0.272	C	S	.	.			trans	-62.3	140.5	178.4	-69.2	162.7	0	0	0	109.8	T255 W259 A266 L269 L270 L288 W353 Y354	L252-T255 HydrophobicContact CB-CG2 3.82Å; L252-T255 WeakPolarHBondContact CB-OG1 3.37Å; L252-T255 HydrophobicContact CD1-CG2 4.38Å; L252-T255 PolarHBondContact O-OG1 3.4Å; L252-W259 HydrophobicContact CD1-CE3 3.92Å; L252-W259 HydrophobicContact CD1-CH2 4.13Å; L252-W259 HydrophobicContact CD1-CZ3 3.62Å; L252-A266 HydrophobicContact CD1-CB 3.62Å; L252-A266 HydrophobicContact CD2-CB 4.2Å; L252-L269 HydrophobicContact CD2-CB 4.42Å; L252-L270 HydrophobicContact CD2-CD1 4.43Å; L252-L270 HydrophobicContact CD2-CD2 3.81Å; L252-L270 HydrophobicContact CD2-CG 3.91Å; L252-L288 HydrophobicContact CD1-CD1 4.49Å; L252-L288 HydrophobicContact CD2-CD1 3.69Å; L252-L288 HydrophobicContact CD2-CD2 4.13Å; L252-L288 HydrophobicContact CG-CD1 3.82Å; L252-W353 HydrophobicContact CD1-CE3 4.24Å; L252-W353 HydrophobicContact CD1-CZ3 4.04Å; L252-Y354 WeakPolarHBondContact CB-OH 3.46Å; L252-Y354 VanDerWaalsContact CG-OH 3.29Å; L252-Y354 WeakPolarHBondContact CG-OH 3.47Å; L252-Y354 PolarHBondContact N-OH 3.45Å
253	R	89.2	Confident	93.7	Very high	176 Å²	176	56.5 Å²	56.5	66%	0.664	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	144.5	172.2	-171.1	174.9	179.8	-179.2	-0.3	110.6	T255	R253-T255 PolarHBondContact O-N 3.43Å
254	A	85.2	Confident	93.6	Very high	103 Å²	103	60 Å²	60	85%	0.851	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	10.2	178.1	0	0	0	0	0	116.4
255	T	89.9	Confident	93.5	Very high	17 Å²	17	62.4 Å²	62.4	10%	0.104	31%	0.306	C	S	.	.			trans	-108.5	177.9	170.6	76.4	0	0	0	0	111	R251 L252 R253 W259 L269	R251-T255 PolarHBondContact NH1-O 3.01Å; R251-T255 PolarHBondContact NH2-O 2.67Å; L252-T255 HydrophobicContact CB-CG2 3.82Å; L252-T255 WeakPolarHBondContact CB-OG1 3.37Å; L252-T255 HydrophobicContact CD1-CG2 4.38Å; L252-T255 PolarHBondContact O-OG1 3.4Å; R253-T255 PolarHBondContact O-N 3.43Å; T255-W259 HydrophobicContact CG2-CB 4.47Å; T255-W259 HydrophobicContact CG2-CD2 3.93Å; T255-W259 HydrophobicContact CG2-CG 3.88Å; T255-L269 HydrophobicContact CG2-CD1 4.03Å
256	N	90.4	Very high	93.4	Very high	89 Å²	89	62 Å²	62	48%	0.476	30%	0.304	S	S	.	.			trans	-125.2	176.5	166.2	64	35.5	0	0	0	109.6	L258 W259	N256-L258 PolarHBondContact O-N 3.45Å; N256-L258 VanDerWaalsContact O-N 3.12Å; N256-L258 VanDerWaalsContact OD1-CA 3.32Å; N256-L258 WeakPolarHBondContact OD1-CA 3.34Å; N256-L258 WeakPolarHBondContact OD1-CB 3.33Å; N256-L258 PolarHBondContact OD1-N 3.48Å; N256-W259 VanDerWaalsContact O-CB 3.31Å; N256-W259 WeakPolarHBondContact O-CB 3.35Å; N256-W259 PolarHBondContact O-N 2.9Å; N256-W259 PolarHBondContact OD1-N 3.37Å
257	L	87.4	Confident	93.3	Very high	59 Å²	59	62 Å²	62	31%	0.309	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.9	179.7	-71.1	176.9	0	0	0	114	L351 Y354	L257-L351 HydrophobicContact CB-CD2 4.05Å; L257-L351 CarbonylContact O-C 3.6Å; L257-L351 VanDerWaalsContact O-CA 3.24Å; L257-L351 WeakPolarHBondContact O-CA 3.33Å; L257-L351 WeakPolarHBondContact O-CD2 3.44Å; L257-Y354 HydrophobicContact CD2-CD2 4.43Å; L257-Y354 HydrophobicContact CD2-CG 4.32Å
258	L	94.3	Very high	93.2	Very high	74 Å²	74	65.8 Å²	65.8	39%	0.387	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	11.1	179.6	-45.9	-177	0	0	0	112.1	N256 K260 Y349 D350 L351	N256-L258 PolarHBondContact O-N 3.45Å; N256-L258 VanDerWaalsContact O-N 3.12Å; N256-L258 VanDerWaalsContact OD1-CA 3.32Å; N256-L258 WeakPolarHBondContact OD1-CA 3.34Å; N256-L258 WeakPolarHBondContact OD1-CB 3.33Å; N256-L258 PolarHBondContact OD1-N 3.48Å; L258-K260 PolarHBondContact O-N 2.73Å; L258-Y349 HydrophobicContact CD2-CD2 3.22Å; L258-Y349 HydrophobicContact CD2-CE2 3.7Å; L258-Y349 HydrophobicContact CD2-CG 3.91Å; L258-D350 WeakPolarHBondContact CD2-O 3.42Å; L258-L351 HydrophobicContact CD2-CD2 4.14Å
259	W	95.5	Very high	93	Very high	51 Å²	51	69 Å²	69	19%	0.193	34%	0.341	C	S	.	.			trans	-65.3	127.1	-175.2	179.9	69.7	0	0	0	111.6	L252 T255 N256 G261 K262 A266 L269 W353	L252-W259 HydrophobicContact CD1-CE3 3.92Å; L252-W259 HydrophobicContact CD1-CH2 4.13Å; L252-W259 HydrophobicContact CD1-CZ3 3.62Å; T255-W259 HydrophobicContact CG2-CB 4.47Å; T255-W259 HydrophobicContact CG2-CD2 3.93Å; T255-W259 HydrophobicContact CG2-CG 3.88Å; N256-W259 VanDerWaalsContact O-CB 3.31Å; N256-W259 WeakPolarHBondContact O-CB 3.35Å; N256-W259 PolarHBondContact O-N 2.9Å; N256-W259 PolarHBondContact OD1-N 3.37Å; W259-G261 VanDerWaalsContact CZ2-CA 3.47Å; W259-K262 WeakPolarHBondContact CH2-O 3.41Å; W259-A266 HydrophobicContact CH2-CB 3.92Å; W259-A266 HydrophobicContact CZ3-CB 3.98Å; W259-L269 HydrophobicContact CZ2-CD1 4.34Å; W259-W353 HydrophobicContact CE3-CB 3.62Å; W259-W353 HydrophobicContact CE3-CD2 4.12Å; W259-W353 HydrophobicContact CE3-CE3 4.21Å; W259-W353 AromaticContact CE3-CG 3.88Å; W259-W353 HydrophobicContact CE3-CG 3.88Å; W259-W353 HydrophobicContact CZ3-CB 3.85Å; W259-W353 AromaticContact CZ3-CD2 3.68Å; W259-W353 HydrophobicContact CZ3-CD2 3.68Å; W259-W353 HydrophobicContact CZ3-CE3 4.02Å; W259-W353 AromaticContact CZ3-CG 3.59Å; W259-W353 HydrophobicContact CZ3-CG 3.59Å; W259-W353 WeakPolarHBondContact O-CB 3.35Å; W259-W353 PolarHBondContact O-N 2.87Å
260	K	94.1	Very high	92.9	Very high	163 Å²	163	68.5 Å²	68.5	71%	0.709	34%	0.337	S	S	*	.			trans	-105.7	29.2	-175.9	-58.7	-173.6	177.9	-174.4	0	113.3	L258	L258-K260 PolarHBondContact O-N 2.73Å
261	G	93.1	Very high	92.7	Very high	24 Å²	24	65.6 Å²	65.6	25%	0.247	33%	0.329	C	S	.	.			trans	-78.1	-179.5	178.8	0	0	0	0	0	113.3	W259	W259-G261 VanDerWaalsContact CZ2-CA 3.47Å
262	K	94.4	Very high	92.4	Very high	166 Å²	166	66.1 Å²	66.1	72%	0.722	34%	0.34	S	S	*	.			trans	-96.3	157.1	178.9	-61.7	-175.8	179.8	-176.9	0	111	W259 Q264 S265 A266	W259-K262 WeakPolarHBondContact CH2-O 3.41Å; K262-Q264 VanDerWaalsContact C-N 3.27Å; K262-Q264 PolarHBondContact O-N 3.13Å; K262-S265 WeakPolarHBondContact O-CA 3.05Å; K262-S265 WeakPolarHBondContact O-CB 3.28Å; K262-S265 PolarHBondContact O-N 3.35Å; K262-A266 PolarHBondContact O-N 3.17Å; K262-A266 VanDerWaalsContact O-N 3.11Å
263	T	95.1	Very high	92.4	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-56.1	-39.9	177.2	-54.4	0	0	0	0	112.4	S265 A266 I267 L292 H295 V296 E299 W353	T263-S265 VanDerWaalsContact C-N 3.31Å; T263-S265 PolarHBondContact O-N 3.07Å; T263-A266 WeakPolarHBondContact O-CB 3.43Å; T263-A266 PolarHBondContact O-N 3.06Å; T263-A266 VanDerWaalsContact O-N 3.11Å; T263-I267 HydrophobicContact CG2-CD1 4.1Å; T263-I267 WeakPolarHBondContact O-CG1 3.27Å; T263-I267 PolarHBondContact O-N 2.87Å; T263-L292 HydrophobicContact CG2-CD1 4.36Å; T263-H295 HydrophobicContact CG2-CB 3.94Å; T263-H295 VanDerWaalsContact OG1-CB 3.32Å; T263-H295 WeakPolarHBondContact OG1-CB 3.31Å; T263-V296 HydrophobicContact CG2-CG2 4.14Å; T263-E299 WeakPolarHBondContact CB-OE1 3.17Å; T263-E299 WeakPolarHBondContact CB-OE2 3.39Å; T263-E299 PolarHBondContact OG1-OE1 3.15Å; T263-W353 HydrophobicContact CG2-CZ2 4.45Å; T263-W353 PolarHBondContact OG1-NE1 3.17Å
264	Q	94.4	Very high	92.6	Very high	76 Å²	76	61.4 Å²	61.4	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-38.4	174.3	-168.2	61.2	51.5	0	0	112.9	K262 A266 I267 N268	K262-Q264 VanDerWaalsContact C-N 3.27Å; K262-Q264 PolarHBondContact O-N 3.13Å; Q264-A266 VanDerWaalsContact C-N 3.31Å; Q264-A266 PolarHBondContact O-N 3.45Å; Q264-I267 PolarHBondContact O-N 3.24Å; Q264-N268 PolarHBondContact NE2-OD1 3.27Å; Q264-N268 PolarHBondContact O-N 3.03Å; Q264-N268 PolarHBondContact O-OD1 2.86Å; Q264-N268 VanDerWaalsContact O-OD1 3.11Å
265	S	94.4	Very high	93	Very high	53 Å²	53	56.9 Å²	56.9	37%	0.371	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-36.5	175.7	-52.5	0	0	0	0	111.5	K262 T263 N268 L269	K262-S265 WeakPolarHBondContact O-CA 3.05Å; K262-S265 WeakPolarHBondContact O-CB 3.28Å; K262-S265 PolarHBondContact O-N 3.35Å; T263-S265 VanDerWaalsContact C-N 3.31Å; T263-S265 PolarHBondContact O-N 3.07Å; S265-N268 PolarHBondContact O-N 3.45Å; S265-L269 VanDerWaalsContact O-CG 3.3Å; S265-L269 WeakPolarHBondContact O-CG 3.43Å; S265-L269 PolarHBondContact O-N 3.29Å
266	A	94.3	Very high	93.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-45.5	174.3	0	0	0	0	0	111.2	L252 W259 K262 T263 Q264 N268 L269 L270 W353	L252-A266 HydrophobicContact CD1-CB 3.62Å; L252-A266 HydrophobicContact CD2-CB 4.2Å; W259-A266 HydrophobicContact CH2-CB 3.92Å; W259-A266 HydrophobicContact CZ3-CB 3.98Å; K262-A266 PolarHBondContact O-N 3.17Å; K262-A266 VanDerWaalsContact O-N 3.11Å; T263-A266 WeakPolarHBondContact O-CB 3.43Å; T263-A266 PolarHBondContact O-N 3.06Å; T263-A266 VanDerWaalsContact O-N 3.11Å; Q264-A266 VanDerWaalsContact C-N 3.31Å; Q264-A266 PolarHBondContact O-N 3.45Å; A266-N268 VanDerWaalsContact C-N 3.35Å; A266-N268 PolarHBondContact O-N 2.71Å; A266-L269 PolarHBondContact O-N 3.36Å; A266-L270 WeakPolarHBondContact O-CG 3.4Å; A266-L270 PolarHBondContact O-N 3.22Å; A266-W353 HydrophobicContact CB-CH2 3.91Å; A266-W353 HydrophobicContact CB-CZ2 3.67Å; A266-W353 HydrophobicContact CB-CZ3 4.48Å
267	I	94.4	Very high	93.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-46.2	176.4	-67.5	156.6	0	0	0	110.8	V197 T263 Q264 L269 L270 L292	V197-I267 HydrophobicContact CG1-CB 4.46Å; V197-I267 HydrophobicContact CG1-CD1 3.42Å; V197-I267 VanDerWaalsContact CG1-CD1 3.42Å; V197-I267 HydrophobicContact CG1-CG1 3.86Å; V197-I267 HydrophobicContact CG1-CG2 3.77Å; V197-I267 HydrophobicContact CG2-CD1 4.38Å; T263-I267 HydrophobicContact CG2-CD1 4.1Å; T263-I267 WeakPolarHBondContact O-CG1 3.27Å; T263-I267 PolarHBondContact O-N 2.87Å; Q264-I267 PolarHBondContact O-N 3.24Å; I267-L269 VanDerWaalsContact C-N 3.32Å; I267-L269 PolarHBondContact O-N 3.23Å; I267-L270 WeakPolarHBondContact O-CB 3.46Å; I267-L270 PolarHBondContact O-N 2.87Å; I267-L270 VanDerWaalsContact O-N 3.11Å; I267-L292 HydrophobicContact CG1-CD1 4.2Å
268	N	93.6	Very high	93.5	Very high	79 Å²	79	53.4 Å²	53.4	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-39.3	178.7	-65.1	-0.4	0	0	0	112	Q264 S265 A266 L270 Q271	Q264-N268 PolarHBondContact NE2-OD1 3.27Å; Q264-N268 PolarHBondContact O-N 3.03Å; Q264-N268 PolarHBondContact O-OD1 2.86Å; Q264-N268 VanDerWaalsContact O-OD1 3.11Å; S265-N268 PolarHBondContact O-N 3.45Å; A266-N268 VanDerWaalsContact C-N 3.35Å; A266-N268 PolarHBondContact O-N 2.71Å; N268-L270 PolarHBondContact O-N 2.9Å; N268-Q271 PolarHBondContact O-N 3.03Å
269	L	93.4	Very high	93.4	Very high	69 Å²	69	50 Å²	50	36%	0.361	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-28.1	176.5	-73.6	169.5	0	0	0	113	L252 T255 W259 S265 A266 I267	L252-L269 HydrophobicContact CD2-CB 4.42Å; T255-L269 HydrophobicContact CG2-CD1 4.03Å; W259-L269 HydrophobicContact CZ2-CD1 4.34Å; S265-L269 VanDerWaalsContact O-CG 3.3Å; S265-L269 WeakPolarHBondContact O-CG 3.43Å; S265-L269 PolarHBondContact O-N 3.29Å; A266-L269 PolarHBondContact O-N 3.36Å; I267-L269 VanDerWaalsContact C-N 3.32Å; I267-L269 PolarHBondContact O-N 3.23Å
270	L	93.6	Very high	93.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-75.1	-23.1	-179.7	-68.1	169.3	0	0	0	113.5	F200 T201 I202 L252 A266 I267 N268 D272 D273 L288 L292	F200-L270 HydrophobicContact CE2-CD1 4Å; T201-L270 CarbonylContact O-C 3.32Å; I202-L270 HydrophobicContact CD1-CD2 4.1Å; L252-L270 HydrophobicContact CD2-CD1 4.43Å; L252-L270 HydrophobicContact CD2-CD2 3.81Å; L252-L270 HydrophobicContact CD2-CG 3.91Å; A266-L270 WeakPolarHBondContact O-CG 3.4Å; A266-L270 PolarHBondContact O-N 3.22Å; I267-L270 WeakPolarHBondContact O-CB 3.46Å; I267-L270 PolarHBondContact O-N 2.87Å; I267-L270 VanDerWaalsContact O-N 3.11Å; N268-L270 PolarHBondContact O-N 2.9Å; L270-D272 PolarHBondContact O-N 2.79Å; L270-D273 HydrophobicContact CD2-CB 4.48Å; L270-D273 PolarHBondContact O-N 2.98Å; L270-L288 HydrophobicContact CD1-CD1 4.5Å; L270-L288 HydrophobicContact CD2-CD2 3.68Å; L270-L292 HydrophobicContact CD1-CD2 3.74Å
271	Q	91.5	Very high	93	Very high	69 Å²	69	43.4 Å²	43.4	32%	0.322	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.2	178.7	-60	-173.8	-15	0	0	112.3	N199 T201 N268	N199-Q271 PolarHBondContact O-NE2 3.23Å; N199-Q271 VanDerWaalsContact O-NE2 3.14Å; T201-Q271 VanDerWaalsContact O-CA 3.28Å; T201-Q271 WeakPolarHBondContact O-CA 3.35Å; T201-Q271 PolarHBondContact O-N 2.88Å; T201-Q271 WeakPolarHBondContact OG1-CG 3.41Å; N268-Q271 PolarHBondContact O-N 3.03Å
272	D	88.3	Confident	92.9	Very high	116 Å²	116	47.1 Å²	47.1	62%	0.62	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	0.8	178.2	-79.1	-42.6	0	0	0	114.6	K203 L270	K203-D272 IonicContact NZ-OD1 2.75Å; K203-D272 PolarHBondContact NZ-OD1 3.26Å; L270-D272 PolarHBondContact O-N 2.79Å
273	D	92.9	Very high	92.9	Very high	16 Å²	16	39.7 Å²	39.7	9%	0.086	22%	0.218	C	C	.	.			trans	-93.8	173.4	179.4	-143.9	-16.6	0	0	0	112	I202 K203 L270	I202-D273 HydrophobicContact CD1-CB 4.37Å; K203-D273 WeakPolarHBondContact CB-O 3.06Å; K203-D273 PolarHBondContact N-O 3.16Å; L270-D273 HydrophobicContact CD2-CB 4.48Å; L270-D273 PolarHBondContact O-N 2.98Å
274	V	94	Very high	92.9	Very high	62 Å²	62	42.4 Å²	42.4	38%	0.376	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-123.5	144.7	179.9	-66.3	0	0	0	0	111.5	K203 P205 P249	K203-V274 HydrophobicContact CB-CG1 3.89Å; K203-V274 CarbonylContact O-C 3.59Å; K203-V274 VanDerWaalsContact O-CA 3.25Å; K203-V274 WeakPolarHBondContact O-CA 3.15Å; P205-V274 HydrophobicContact CG-CB 4.26Å; P205-V274 HydrophobicContact CG-CG1 4.25Å; P249-V274 WeakPolarHBondContact CG-O 3.24Å
275	L	94.7	Very high	93	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	22%	0.218	C	C	.	.			trans	-65.5	138.5	165.5	-64.7	179	0	0	0	110	I202 K203 N204 V236 G247 L248 P279	I202-L275 HydrophobicContact CD1-CD2 3.77Å; I202-L275 HydrophobicContact CD1-CG 4.27Å; I202-L275 HydrophobicContact CG1-CD2 4.25Å; I202-L275 HydrophobicContact CG1-CG 4.27Å; I202-L275 HydrophobicContact CG2-CD1 4.39Å; I202-L275 HydrophobicContact CG2-CD2 3.92Å; I202-L275 HydrophobicContact CG2-CG 4.02Å; K203-L275 PolarHBondContact O-N 2.91Å; N204-L275 HydrophobicContact CB-CD1 3.88Å; V236-L275 HydrophobicContact CG2-CD1 4.42Å; V236-L275 HydrophobicContact CG2-CD2 4.1Å; G247-L275 CarbonylContact O-C 3.57Å; G247-L275 WeakPolarHBondContact O-CA 3.08Å; G247-L275 WeakPolarHBondContact O-CD2 3.31Å; L248-L275 HydrophobicContact CD2-CD2 4Å; L248-L275 HydrophobicContact CG-CD2 4.48Å; L275-P279 HydrophobicContact CD1-CG 3.73Å
276	V	94.6	Very high	93.2	Very high	68 Å²	68	37.3 Å²	37.3	41%	0.412	20%	0.2	S	C	.	.	S	Bend	trans	-91.4	-12.6	179.3	-60	0	0	0	0	112.8	L206 G247 P249 H284	L206-V276 VanDerWaalsContact CD1-C 3.48Å; L206-V276 WeakPolarHBondContact CD1-O 3.45Å; G247-V276 WeakPolarHBondContact O-CG2 3.4Å; G247-V276 PolarHBondContact O-N 2.75Å; P249-V276 HydrophobicContact CB-CG1 4.35Å; P249-V276 HydrophobicContact CG-CG1 4.28Å; V276-H284 HydrophobicContact CG2-CB 4.36Å; V276-H284 VanDerWaalsContact CG2-CD2 3.44Å; V276-H284 WeakPolarHBondContact CG2-CD2 3.49Å
277	A	91.6	Very high	93.4	Very high	6 Å²	6	37.9 Å²	37.9	5%	0.05	20%	0.203	C	C	.	.	S	Bend	trans	-148.8	153.1	170.7	0	0	0	0	0	108.9	G247 K282	G247-A277 WeakPolarHBondContact CA-O 3.31Å; A277-K282 HydrophobicContact CB-CB 3.97Å
278	D	91.5	Very high	93.5	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.102	20%	0.203	C	C	.	.			trans	-68.4	129.3	171.3	-166.8	44.9	0	0	0	109.5	N204 L206 G207 S234 G280 T281	N204-D278 PolarHBondContact ND2-OD1 3.39Å; L206-D278 HydrophobicContact CB-CB 4.36Å; G207-D278 WeakPolarHBondContact CA-OD1 3.31Å; S234-D278 WeakPolarHBondContact CB-OD1 3.46Å; S234-D278 PolarHBondContact OG-OD1 3.05Å; S234-D278 PolarHBondContact OG-OD2 2.97Å; D278-G280 PolarHBondContact O-N 2.86Å; D278-T281 HydrophobicContact CB-CG2 3.8Å; D278-T281 WeakPolarHBondContact O-CB 3.44Å; D278-T281 PolarHBondContact O-N 3.11Å; D278-T281 PolarHBondContact O-OG1 3.04Å
279	P	92.8	Very high	93.8	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.019	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	128.8	-172.9	-29.3	35.4	0	0	0	113.2	S234 S235 V236 R240 L245 S246 L275 T281	S234-P279 WeakPolarHBondContact O-CG 3.16Å; S235-P279 VanDerWaalsContact O-CB 3.26Å; S235-P279 WeakPolarHBondContact O-CB 3.39Å; V236-P279 HydrophobicContact CG2-CG 4.19Å; R240-P279 PolarHBondContact NH1-O 3.38Å; L245-P279 CarbonylContact O-C 3.48Å; L245-P279 WeakPolarHBondContact O-CA 3.49Å; S246-P279 WeakPolarHBondContact O-CG 3.45Å; L275-P279 HydrophobicContact CD1-CG 3.73Å; P279-T281 VanDerWaalsContact C-N 3.34Å
280	G	90.5	Very high	94	Very high	14 Å²	14	30.8 Å²	30.8	14%	0.144	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-5.5	-177.9	0	0	0	0	0	115.3	L245 D278 F396	L245-G280 PolarHBondContact O-N 2.86Å; D278-G280 PolarHBondContact O-N 2.86Å; G280-F396 WeakPolarHBondContact O-CE2 3.44Å
281	T	89.6	Confident	94.2	Very high	61 Å²	61	30.8 Å²	30.8	37%	0.374	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-24	-174.2	67.8	0	0	0	0	114.4	D278 P279 F396	D278-T281 HydrophobicContact CB-CG2 3.8Å; D278-T281 WeakPolarHBondContact O-CB 3.44Å; D278-T281 PolarHBondContact O-N 3.11Å; D278-T281 PolarHBondContact O-OG1 3.04Å; P279-T281 VanDerWaalsContact C-N 3.34Å; T281-F396 WeakPolarHBondContact O-CZ 3.45Å
282	K	91	Very high	94.6	Very high	102 Å²	102	27.5 Å²	27.5	44%	0.443	15%	0.15	S	C	.	.	S	Bend	trans	-149.9	140	-175.7	-172	171.6	-174.9	169.3	0	112.2	A277 H284	A277-K282 HydrophobicContact CB-CB 3.97Å; K282-H284 PolarHBondContact O-N 3.34Å
283	C	94.8	Very high	95.1	Very high	10 Å²	10	22 Å²	22	7%	0.068	12%	0.121	C	C	.	.			trans	-69.3	121	171.8	-55.2	0	0	0	0	110.4	C398 Y402	C283-C398 HydrophobicContact CB-CB 3.77Å; C283-C398 WeakPolarHBondContact CB-SG 3.21Å; C283-C398 WeakPolarHBondContact SG-CA 3.48Å; C283-C398 WeakPolarHBondContact SG-CB 3.3Å; C283-C398 CovalentContact SG-SG 2.04Å; C283-C398 PolarHBondContact SG-SG 3.35Å; C283-Y402 HydrophobicContact CB-CD1 3.99Å; C283-Y402 HydrophobicContact CB-CD2 3.78Å; C283-Y402 HydrophobicContact CB-CE1 4.09Å; C283-Y402 HydrophobicContact CB-CE2 3.88Å; C283-Y402 HydrophobicContact CB-CG 3.83Å
284	H	95.6	Very high	95.3	Very high	58 Å²	58	21.3 Å²	21.3	27%	0.269	12%	0.118	S	C	.	.			trans	-139.3	118.8	175.3	-176.2	80.3	0	0	0	111.1	Q244 L248 R250 V276 K282 S286	Q244-H284 WeakPolarHBondContact CB-O 3.31Å; Q244-H284 PolarHBondContact O-N 2.87Å; Q244-H284 PolarHBondContact OE1-O 2.59Å; L248-H284 PolarHBondContact O-CD2 3.21Å; L248-H284 VanDerWaalsContact O-CD2 3.26Å; R250-H284 PolarHBondContact N-NE2 2.94Å; V276-H284 HydrophobicContact CG2-CB 4.36Å; V276-H284 VanDerWaalsContact CG2-CD2 3.44Å; V276-H284 WeakPolarHBondContact CG2-CD2 3.49Å; K282-H284 PolarHBondContact O-N 3.34Å; H284-S286 PolarHBondContact O-N 3.46Å
285	Y	96.8	Very high	95.5	Very high	22 Å²	22	19 Å²	19	9%	0.086	10%	0.103	C	C	.	.			trans	-69.8	119.8	-179.1	-174	-80.2	0	0	0	112.3	S167 K170 R250 N287 F403	S167-Y285 WeakPolarHBondContact CB-OH 3.36Å; S167-Y285 PolarHBondContact OG-OH 2.93Å; K170-Y285 WeakPolarHBondContact CE-OH 3.18Å; K170-Y285 PolarHBondContact NZ-OH 2.9Å; R250-Y285 HydrophobicContact CG-CD1 4.45Å; R250-Y285 VanDerWaalsContact NH1-CD1 3.29Å; Y285-N287 VanDerWaalsContact CE1-OD1 3.29Å; Y285-N287 WeakPolarHBondContact CE1-OD1 3.37Å; Y285-N287 PolarHBondContact OH-OD1 2.04Å; Y285-F403 AromaticContact CD2-CE1 3.92Å; Y285-F403 HydrophobicContact CD2-CE1 3.92Å; Y285-F403 AromaticContact CD2-CZ 3.78Å; Y285-F403 HydrophobicContact CD2-CZ 3.78Å; Y285-F403 HydrophobicContact CE2-CZ 4.47Å; Y285-F403 HydrophobicContact CG-CE1 4.42Å
286	S	97.8	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.			trans	-128	119.7	179.9	-175.6	0	0	0	0	113.6	Q244 P249 H284 L288 A289 F290	Q244-S286 PolarHBondContact OE1-O 2.9Å; P249-S286 PolarHBondContact O-OG 2.86Å; H284-S286 PolarHBondContact O-N 3.46Å; S286-L288 PolarHBondContact OG-N 3.03Å; S286-A289 PolarHBondContact OG-N 2.96Å; S286-F290 WeakPolarHBondContact O-CD2 3.38Å
287	N	98	Very high	95.9	Very high	13 Å²	13	15.5 Å²	15.5	7%	0.07	8%	0.081	C	C	.	.	H	α-helix	trans	-73	-37.2	166.1	-70.4	-34.8	0	0	0	110.6	K170 R250 Y285 A289 F290 S291 Y354 S357	K170-N287 WeakPolarHBondContact CE-OD1 3.49Å; K170-N287 PolarHBondContact NZ-OD1 2.93Å; R250-N287 WeakPolarHBondContact O-CB 3.36Å; R250-N287 PolarHBondContact O-N 2.86Å; Y285-N287 VanDerWaalsContact CE1-OD1 3.29Å; Y285-N287 WeakPolarHBondContact CE1-OD1 3.37Å; Y285-N287 PolarHBondContact OH-OD1 2.04Å; N287-A289 VanDerWaalsContact C-N 3.34Å; N287-A289 PolarHBondContact O-N 2.84Å; N287-F290 PolarHBondContact O-N 3.14Å; N287-S291 PolarHBondContact O-N 3.1Å; N287-S291 VanDerWaalsContact O-N 3.12Å; N287-Y354 HydrophobicContact CB-CD1 4.11Å; N287-Y354 HydrophobicContact CB-CE1 4.26Å; N287-S357 WeakPolarHBondContact O-CB 3.42Å
288	L	97.8	Very high	96.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-55.6	-47.3	176.1	164.1	61	0	0	0	111.6	L248 R250 L252 L270 S286 F290 S291 L292 W353 Y354	L248-L288 HydrophobicContact CB-CD2 4.35Å; R250-L288 PolarHBondContact O-N 2.92Å; L252-L288 HydrophobicContact CD1-CD1 4.49Å; L252-L288 HydrophobicContact CD2-CD1 3.69Å; L252-L288 HydrophobicContact CD2-CD2 4.13Å; L252-L288 HydrophobicContact CG-CD1 3.82Å; L270-L288 HydrophobicContact CD1-CD1 4.5Å; L270-L288 HydrophobicContact CD2-CD2 3.68Å; S286-L288 PolarHBondContact OG-N 3.03Å; L288-F290 VanDerWaalsContact C-N 3.32Å; L288-F290 PolarHBondContact O-N 3.47Å; L288-S291 PolarHBondContact O-N 2.83Å; L288-L292 HydrophobicContact CD1-CB 4.25Å; L288-L292 WeakPolarHBondContact O-CB 3.36Å; L288-L292 PolarHBondContact O-N 2.82Å; L288-W353 HydrophobicContact CD1-CH2 3.84Å; L288-W353 HydrophobicContact CD1-CZ3 3.91Å; L288-Y354 HydrophobicContact CB-CE1 4.42Å
289	A	98.2	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.2	-45.8	-178.3	0	0	0	0	0	112.2	M241 L248 S286 N287 L293	M241-A289 HydrophobicContact CB-CB 4.16Å; M241-A289 VanDerWaalsContact CE-O 3.27Å; M241-A289 WeakPolarHBondContact CE-O 3.47Å; M241-A289 HydrophobicContact CG-CB 4.49Å; L248-A289 HydrophobicContact CD1-CB 3.96Å; S286-A289 PolarHBondContact OG-N 2.96Å; N287-A289 VanDerWaalsContact C-N 3.34Å; N287-A289 PolarHBondContact O-N 2.84Å; A289-L293 WeakPolarHBondContact O-CB 3.15Å; A289-L293 PolarHBondContact O-N 3.33Å
290	F	98.7	Very high	96.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.3	-41.5	-179.1	-77.6	-96.6	0	0	0	113.1	K170 P173 M241 A242 Q244 S286 N287 L288 A294 P410	K170-F290 HydrophobicContact CB-CD1 3.54Å; K170-F290 HydrophobicContact CB-CE1 3.63Å; K170-F290 HydrophobicContact CB-CG 4.08Å; K170-F290 HydrophobicContact CB-CZ 4.25Å; K170-F290 HydrophobicContact CD-CB 4.35Å; K170-F290 HydrophobicContact CD-CD1 4.01Å; K170-F290 HydrophobicContact CD-CD2 3.63Å; K170-F290 HydrophobicContact CD-CE1 4.2Å; K170-F290 HydrophobicContact CD-CE2 3.85Å; K170-F290 HydrophobicContact CD-CG 3.7Å; K170-F290 HydrophobicContact CD-CZ 4.1Å; K170-F290 HydrophobicContact CG-CB 4.06Å; K170-F290 HydrophobicContact CG-CD1 3.66Å; K170-F290 HydrophobicContact CG-CD2 4.14Å; K170-F290 HydrophobicContact CG-CE1 4.12Å; K170-F290 HydrophobicContact CG-CG 3.66Å; K170-F290 WeakPolarHBondContact O-CE1 3.31Å; P173-F290 HydrophobicContact CB-CD1 4.31Å; P173-F290 HydrophobicContact CG-CD1 4.47Å; M241-F290 WeakPolarHBondContact O-CE2 3.47Å; A242-F290 VanDerWaalsContact O-CZ 3.24Å; A242-F290 WeakPolarHBondContact O-CZ 3.13Å; Q244-F290 HydrophobicContact CG-CE2 4.29Å; S286-F290 WeakPolarHBondContact O-CD2 3.38Å; N287-F290 PolarHBondContact O-N 3.14Å; L288-F290 VanDerWaalsContact C-N 3.32Å; L288-F290 PolarHBondContact O-N 3.47Å; F290-A294 VanDerWaalsContact O-CB 3.3Å; F290-A294 WeakPolarHBondContact O-CB 3.39Å; F290-A294 PolarHBondContact O-N 3.43Å; F290-P410 HydrophobicContact CE1-CB 3.59Å; F290-P410 HydrophobicContact CZ-CB 3.53Å
291	S	98.5	Very high	96.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-41.6	176.6	-71.3	0	0	0	0	112	N287 L288 H295 Y354 S357	N287-S291 PolarHBondContact O-N 3.1Å; N287-S291 VanDerWaalsContact O-N 3.12Å; L288-S291 PolarHBondContact O-N 2.83Å; S291-H295 PolarHBondContact O-CD2 2.83Å; S291-H295 PolarHBondContact O-N 3.03Å; S291-H295 VanDerWaalsContact O-N 3.08Å; S291-Y354 WeakPolarHBondContact OG-CA 3.42Å; S291-Y354 PolarHBondContact OG-O 3.46Å; S291-S357 WeakPolarHBondContact OG-CB 3.33Å
292	L	98.3	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-45.9	176.1	-171.8	60.9	0	0	0	111	L193 F200 M241 L248 T263 I267 L270 L288 V296 W353	L193-L292 HydrophobicContact CD2-CD2 3.67Å; L193-L292 HydrophobicContact CD2-CG 4.26Å; F200-L292 HydrophobicContact CE2-CD2 4.42Å; M241-L292 HydrophobicContact CE-CB 3.84Å; M241-L292 HydrophobicContact CE-CD2 3.96Å; M241-L292 HydrophobicContact CE-CG 3.94Å; L248-L292 HydrophobicContact CD1-CD2 4.37Å; T263-L292 HydrophobicContact CG2-CD1 4.36Å; I267-L292 HydrophobicContact CG1-CD1 4.2Å; L270-L292 HydrophobicContact CD1-CD2 3.74Å; L288-L292 HydrophobicContact CD1-CB 4.25Å; L288-L292 WeakPolarHBondContact O-CB 3.36Å; L288-L292 PolarHBondContact O-N 2.82Å; L292-V296 HydrophobicContact CD1-CG2 3.84Å; L292-V296 HydrophobicContact CG-CG2 4.18Å; L292-V296 VanDerWaalsContact O-CB 3.26Å; L292-V296 WeakPolarHBondContact O-CB 3.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.14Å; L292-V296 PolarHBondContact O-N 2.87Å; L292-W353 HydrophobicContact CB-CH2 3.95Å; L292-W353 HydrophobicContact CB-CZ2 4.46Å; L292-W353 HydrophobicContact CD1-CH2 4.2Å; L292-W353 HydrophobicContact CD1-CZ2 4.11Å
293	L	98.6	Very high	97.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-54	176.1	176.5	65.2	0	0	0	110.9	L177 L238 M241 A242 A289 H295 V296 M297	L177-L293 HydrophobicContact CB-CD2 4.46Å; L177-L293 HydrophobicContact CD1-CD1 4.34Å; L177-L293 HydrophobicContact CD2-CD2 4.14Å; L238-L293 HydrophobicContact CB-CD1 4.04Å; L238-L293 HydrophobicContact CD2-CD1 3.7Å; L238-L293 HydrophobicContact CG-CD1 4.41Å; M241-L293 HydrophobicContact CB-CB 4.48Å; M241-L293 HydrophobicContact CE-CB 3.92Å; A242-L293 HydrophobicContact CB-CD2 3.92Å; A289-L293 WeakPolarHBondContact O-CB 3.15Å; A289-L293 PolarHBondContact O-N 3.33Å; L293-H295 PolarHBondContact O-N 2.93Å; L293-V296 PolarHBondContact O-N 2.91Å; L293-M297 HydrophobicContact CD1-CG 3.85Å; L293-M297 HydrophobicContact CG-CG 4.42Å; L293-M297 WeakPolarHBondContact O-CB 3.44Å; L293-M297 WeakPolarHBondContact O-CG 3.5Å; L293-M297 PolarHBondContact O-N 2.93Å
294	A	98.6	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-55.5	-53.6	-178.4	0	0	0	0	0	112.2	P173 F290 M297 S298 Y306 P356	P173-A294 HydrophobicContact CB-CB 4.05Å; P173-A294 HydrophobicContact CG-CB 4.08Å; F290-A294 VanDerWaalsContact O-CB 3.3Å; F290-A294 WeakPolarHBondContact O-CB 3.39Å; F290-A294 PolarHBondContact O-N 3.43Å; A294-M297 PolarHBondContact O-N 3.47Å; A294-S298 WeakPolarHBondContact O-CB 3.45Å; A294-S298 PolarHBondContact O-N 2.87Å; A294-S298 PolarHBondContact O-OG 3.24Å; A294-Y306 HydrophobicContact CB-CD1 4.32Å; A294-Y306 HydrophobicContact CB-CD2 3.64Å; A294-Y306 HydrophobicContact CB-CE1 4.34Å; A294-Y306 HydrophobicContact CB-CE2 3.68Å; A294-Y306 HydrophobicContact CB-CG 3.97Å; A294-P356 HydrophobicContact CB-CB 3.45Å; A294-P356 VanDerWaalsContact CB-CB 3.45Å; A294-P356 HydrophobicContact CB-CG 3.62Å
295	H	98.2	Very high	97.6	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-69.5	-39.2	-176.4	-68.9	-53.4	0	0	0	112.7	T263 S291 L293 S298 E299 W353	T263-H295 HydrophobicContact CG2-CB 3.94Å; T263-H295 VanDerWaalsContact OG1-CB 3.32Å; T263-H295 WeakPolarHBondContact OG1-CB 3.31Å; S291-H295 PolarHBondContact O-CD2 2.83Å; S291-H295 PolarHBondContact O-N 3.03Å; S291-H295 VanDerWaalsContact O-N 3.08Å; L293-H295 PolarHBondContact O-N 2.93Å; H295-S298 PolarHBondContact O-N 3.15Å; H295-S298 PolarHBondContact O-OG 3.07Å; H295-E299 WeakPolarHBondContact O-CB 3.4Å; H295-E299 WeakPolarHBondContact O-CG 3.49Å; H295-E299 PolarHBondContact O-N 2.9Å; H295-W353 AromaticContact CD2-CD1 3.76Å; H295-W353 AromaticContact CD2-CD2 4Å; H295-W353 AromaticContact CD2-CE2 3.45Å; H295-W353 VanDerWaalsContact CD2-CE2 3.45Å; H295-W353 AromaticContact CD2-CZ2 3.87Å; H295-W353 AromaticContact CD2-NE1 3.26Å; H295-W353 PolarHBondContact CD2-NE1 2.95Å; H295-W353 VanDerWaalsContact CD2-NE1 3.26Å; H295-W353 AromaticContact CG-NE1 3.93Å; H295-W353 AromaticContact NE2-CD1 3.78Å; H295-W353 AromaticContact NE2-NE1 3.78Å; H295-W353 PolarHBondContact NE2-O 2.98Å
296	V	97.9	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-45.9	176.9	171.3	0	0	0	0	110.4	L193 V197 T263 L292 L293 R300	L193-V296 HydrophobicContact CD1-CB 4.38Å; L193-V296 HydrophobicContact CD1-CG1 3.96Å; L193-V296 HydrophobicContact CD1-CG2 4.37Å; V197-V296 HydrophobicContact CG2-CB 4.27Å; V197-V296 HydrophobicContact CG2-CG1 3.5Å; V197-V296 VanDerWaalsContact CG2-CG1 3.5Å; V197-V296 HydrophobicContact CG2-CG2 3.66Å; T263-V296 HydrophobicContact CG2-CG2 4.14Å; L292-V296 HydrophobicContact CD1-CG2 3.84Å; L292-V296 HydrophobicContact CG-CG2 4.18Å; L292-V296 VanDerWaalsContact O-CB 3.26Å; L292-V296 WeakPolarHBondContact O-CB 3.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.14Å; L292-V296 PolarHBondContact O-N 2.87Å; L293-V296 PolarHBondContact O-N 2.91Å; V296-R300 HydrophobicContact CG1-CG 4.24Å; V296-R300 WeakPolarHBondContact O-CA 3.34Å; V296-R300 WeakPolarHBondContact O-CB 3.46Å; V296-R300 WeakPolarHBondContact O-CG 3.45Å; V296-R300 PolarHBondContact O-N 2.97Å
297	M	98.4	Very high	97.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.145	C	C	.	.	I	π-helix	trans	-62.8	-44.8	177.3	-65.4	-61.6	95	0	0	111.3	M176 L177 L180 I186 Y196 L238 L293 A294 V301 V302	M176-M297 HydrophobicContact CE-CB 3.94Å; M176-M297 HydrophobicContact SD-CB 4.31Å; L177-M297 HydrophobicContact CD1-SD 4.49Å; L180-M297 HydrophobicContact CD1-CB 3.86Å; L180-M297 HydrophobicContact CD1-CG 4.4Å; L180-M297 HydrophobicContact CD1-SD 4.48Å; I186-M297 HydrophobicContact CG2-SD 4.08Å; Y196-M297 HydrophobicContact CD1-CE 4.09Å; Y196-M297 HydrophobicContact CD2-CE 3.9Å; Y196-M297 HydrophobicContact CE1-CE 4.49Å; Y196-M297 HydrophobicContact CE2-CE 4.33Å; Y196-M297 HydrophobicContact CG-CE 3.76Å; L238-M297 HydrophobicContact CD1-CE 4.14Å; L238-M297 HydrophobicContact CD1-SD 3.88Å; L238-M297 HydrophobicContact CD2-CE 3.66Å; L238-M297 HydrophobicContact CD2-SD 4.19Å; L293-M297 HydrophobicContact CD1-CG 3.85Å; L293-M297 HydrophobicContact CG-CG 4.42Å; L293-M297 WeakPolarHBondContact O-CB 3.44Å; L293-M297 WeakPolarHBondContact O-CG 3.5Å; L293-M297 PolarHBondContact O-N 2.93Å; A294-M297 PolarHBondContact O-N 3.47Å; M297-V301 HydrophobicContact CE-CG2 4Å; M297-V301 VanDerWaalsContact O-CB 3.25Å; M297-V301 WeakPolarHBondContact O-CB 3.39Å; M297-V301 PolarHBondContact O-N 2.88Å; M297-V301 VanDerWaalsContact O-N 3.14Å; M297-V301 HydrophobicContact SD-CG2 4.09Å; M297-V302 PolarHBondContact O-N 2.96Å
298	S	97.9	Very high	97.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.168	C	C	.	.	I	π-helix	trans	-68.2	-46.5	-179.1	71.9	0	0	0	0	112.7	M176 A294 H295 V302 G303 V304	M176-S298 VanDerWaalsContact CE-CA 3.49Å; A294-S298 WeakPolarHBondContact O-CB 3.45Å; A294-S298 PolarHBondContact O-N 2.87Å; A294-S298 PolarHBondContact O-OG 3.24Å; H295-S298 PolarHBondContact O-N 3.15Å; H295-S298 PolarHBondContact O-OG 3.07Å; S298-V302 CarbonylContact O-C 3.57Å; S298-G303 PolarHBondContact O-N 2.59Å; S298-V304 CarbonylContact C-O 3.56Å; S298-V304 VanDerWaalsContact C-O 3.32Å; S298-V304 VanDerWaalsContact CB-O 3.29Å; S298-V304 WeakPolarHBondContact CB-O 3.23Å; S298-V304 PolarHBondContact O-N 2.94Å; S298-V304 VanDerWaalsContact O-N 3.11Å; S298-V304 PolarHBondContact OG-O 2.81Å
299	E	96.6	Very high	97.6	Very high	80 Å²	80	33.2 Å²	33.2	37%	0.374	17%	0.171	S	C	.	.	I	π-helix	trans	-76.8	-40.7	-175.4	-66.2	174.5	-158	0	0	112.6	T263 H295	T263-E299 WeakPolarHBondContact CB-OE1 3.17Å; T263-E299 WeakPolarHBondContact CB-OE2 3.39Å; T263-E299 PolarHBondContact OG1-OE1 3.15Å; H295-E299 WeakPolarHBondContact O-CB 3.4Å; H295-E299 WeakPolarHBondContact O-CG 3.49Å; H295-E299 PolarHBondContact O-N 2.9Å
300	R	95.8	Very high	97.6	Very high	128 Å²	128	33.2 Å²	33.2	48%	0.483	17%	0.171	S	C	.	.	I	π-helix	trans	-99.1	-26.3	-169.4	-51.4	-59.4	-175.4	161.2	6.7	114.1	V296	V296-R300 HydrophobicContact CG1-CG 4.24Å; V296-R300 WeakPolarHBondContact O-CA 3.34Å; V296-R300 WeakPolarHBondContact O-CB 3.46Å; V296-R300 WeakPolarHBondContact O-CG 3.45Å; V296-R300 PolarHBondContact O-N 2.97Å
301	V	97.1	Very high	97.6	Very high	36 Å²	36	35.6 Å²	35.6	22%	0.218	19%	0.185	C	C	.	.	I	π-helix	trans	-101.9	-43	-179.6	-176.1	0	0	0	0	111.2	K185 I186 Y196 M297	K185-V301 HydrophobicContact CB-CG1 3.84Å; I186-V301 HydrophobicContact CG2-CG1 4.18Å; I186-V301 HydrophobicContact CG2-CG2 4.3Å; Y196-V301 HydrophobicContact CD1-CG2 3.6Å; Y196-V301 HydrophobicContact CE1-CG2 3.82Å; M297-V301 HydrophobicContact CE-CG2 4Å; M297-V301 VanDerWaalsContact O-CB 3.25Å; M297-V301 WeakPolarHBondContact O-CB 3.39Å; M297-V301 PolarHBondContact O-N 2.88Å; M297-V301 VanDerWaalsContact O-N 3.14Å; M297-V301 HydrophobicContact SD-CG2 4.09Å
302	V	97.1	Very high	97.5	Very high	53 Å²	53	39.5 Å²	39.5	32%	0.321	20%	0.204	S	C	.	.	I	π-helix	trans	-96.7	-38.4	-175.6	-169.1	0	0	0	0	112.9	M176 L180 M297 S298 V304	M176-V302 HydrophobicContact CE-CG2 3.86Å; L180-V302 HydrophobicContact CD1-CG2 4.05Å; L180-V302 HydrophobicContact CD2-CG2 3.6Å; L180-V302 HydrophobicContact CG-CG2 4.47Å; M297-V302 PolarHBondContact O-N 2.96Å; S298-V302 CarbonylContact O-C 3.57Å; V302-V304 HydrophobicContact CB-CG2 4.18Å; V302-V304 HydrophobicContact CG1-CG1 4.45Å; V302-V304 HydrophobicContact CG1-CG2 3.7Å
303	G	96.6	Very high	97.5	Very high	59 Å²	59	41.4 Å²	41.4	61%	0.608	21%	0.214	S	C	*	.			trans	83.3	27.8	-176.2	0	0	0	0	0	114.4	S298	S298-G303 PolarHBondContact O-N 2.59Å
304	V	96.9	Very high	97.4	Very high	50 Å²	50	41.4 Å²	41.4	30%	0.303	21%	0.214	S	C	.	.	S	Bend	trans	-134.8	165	178.2	-58.6	0	0	0	0	111.7	S298 V302 W309	S298-V304 CarbonylContact C-O 3.56Å; S298-V304 VanDerWaalsContact C-O 3.32Å; S298-V304 VanDerWaalsContact CB-O 3.29Å; S298-V304 WeakPolarHBondContact CB-O 3.23Å; S298-V304 PolarHBondContact O-N 2.94Å; S298-V304 VanDerWaalsContact O-N 3.11Å; S298-V304 PolarHBondContact OG-O 2.81Å; V302-V304 HydrophobicContact CB-CG2 4.18Å; V302-V304 HydrophobicContact CG1-CG1 4.45Å; V302-V304 HydrophobicContact CG1-CG2 3.7Å; V304-W309 HydrophobicContact CG2-CB 3.84Å; V304-W309 HydrophobicContact CG2-CG 4.32Å
305	D	95.8	Very high	97.4	Very high	79 Å²	79	41.5 Å²	41.5	42%	0.422	21%	0.214	S	C	.	.			trans	-65.7	139.3	170.2	177.7	79	0	0	0	110.9	Q307 R308 W309	D305-Q307 VanDerWaalsContact C-N 3.35Å; D305-Q307 PolarHBondContact O-N 2.85Å; D305-Q307 PolarHBondContact OD1-NE2 2.8Å; D305-Q307 VanDerWaalsContact OD2-CB 3.28Å; D305-Q307 WeakPolarHBondContact OD2-CB 3.21Å; D305-Q307 PolarHBondContact OD2-N 2.83Å; D305-Q307 PolarHBondContact OD2-NE2 2.73Å; D305-Q307 VanDerWaalsContact OD2-NE2 3.09Å; D305-R308 HydrophobicContact CB-CB 4.35Å; D305-R308 PolarHBondContact O-N 3.48Å; D305-R308 PolarHBondContact OD2-N 2.55Å; D305-W309 PolarHBondContact O-N 2.84Å
306	Y	98	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-42.7	-176.9	167.3	-104.4	0	0	0	112.8	F172 P173 M176 A294 R308 W309 V310 F325 P356	F172-Y306 WeakPolarHBondContact CB-OH 3.47Å; P173-Y306 WeakPolarHBondContact CD-OH 3.38Å; P173-Y306 HydrophobicContact CG-CE2 4.33Å; P173-Y306 VanDerWaalsContact CG-OH 3.28Å; P173-Y306 WeakPolarHBondContact CG-OH 3.45Å; M176-Y306 HydrophobicContact SD-CD2 3.7Å; M176-Y306 HydrophobicContact SD-CE2 3.93Å; A294-Y306 HydrophobicContact CB-CD1 4.32Å; A294-Y306 HydrophobicContact CB-CD2 3.64Å; A294-Y306 HydrophobicContact CB-CE1 4.34Å; A294-Y306 HydrophobicContact CB-CE2 3.68Å; A294-Y306 HydrophobicContact CB-CG 3.97Å; Y306-R308 VanDerWaalsContact C-N 3.31Å; Y306-R308 PolarHBondContact O-N 3.25Å; Y306-W309 PolarHBondContact O-N 2.9Å; Y306-V310 HydrophobicContact CD2-CG2 4.03Å; Y306-V310 HydrophobicContact CE1-CG2 4.08Å; Y306-V310 HydrophobicContact CE2-CG2 3.4Å; Y306-V310 VanDerWaalsContact CZ-CG2 3.41Å; Y306-V310 WeakPolarHBondContact O-CG2 3.31Å; Y306-V310 PolarHBondContact O-N 2.8Å; Y306-V310 WeakPolarHBondContact OH-CG2 3.36Å; Y306-F325 HydrophobicContact CD1-CE1 4.42Å; Y306-F325 HydrophobicContact CD1-CZ 4.12Å; Y306-F325 AromaticContact CE1-CE1 3.76Å; Y306-F325 HydrophobicContact CE1-CE1 3.76Å; Y306-F325 HydrophobicContact CE1-CE2 4.39Å; Y306-F325 AromaticContact CE1-CZ 3.41Å; Y306-F325 HydrophobicContact CE1-CZ 3.41Å; Y306-F325 VanDerWaalsContact CE1-CZ 3.41Å; Y306-P356 HydrophobicContact CD1-CB 3.98Å; Y306-P356 HydrophobicContact CD1-CG 3.59Å; Y306-P356 HydrophobicContact CE1-CB 3.49Å; Y306-P356 VanDerWaalsContact CE1-CB 3.49Å; Y306-P356 HydrophobicContact CE1-CG 3.65Å; Y306-P356 HydrophobicContact CG-CG 4.32Å
307	Q	97.1	Very high	97.2	Very high	33 Å²	33	51.6 Å²	51.6	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-43.1	-178.2	-61.1	79.8	-95.4	0	0	110.1	D305 W309 V310 T311 F325	D305-Q307 VanDerWaalsContact C-N 3.35Å; D305-Q307 PolarHBondContact O-N 2.85Å; D305-Q307 PolarHBondContact OD1-NE2 2.8Å; D305-Q307 VanDerWaalsContact OD2-CB 3.28Å; D305-Q307 WeakPolarHBondContact OD2-CB 3.21Å; D305-Q307 PolarHBondContact OD2-N 2.83Å; D305-Q307 PolarHBondContact OD2-NE2 2.73Å; D305-Q307 VanDerWaalsContact OD2-NE2 3.09Å; Q307-W309 PolarHBondContact O-N 2.8Å; Q307-V310 PolarHBondContact O-N 2.96Å; Q307-T311 PolarHBondContact O-N 3.18Å; Q307-T311 PolarHBondContact O-OG1 2.81Å; Q307-T311 VanDerWaalsContact O-OG1 3.09Å; Q307-F325 HydrophobicContact CB-CD2 3.67Å; Q307-F325 HydrophobicContact CB-CE2 3.99Å; Q307-F325 HydrophobicContact CB-CG 4.16Å; Q307-F325 HydrophobicContact CG-CB 4.07Å; Q307-F325 HydrophobicContact CG-CD1 3.94Å; Q307-F325 HydrophobicContact CG-CD2 3.58Å; Q307-F325 HydrophobicContact CG-CE1 4.29Å; Q307-F325 HydrophobicContact CG-CE2 3.97Å; Q307-F325 HydrophobicContact CG-CG 3.57Å; Q307-F325 HydrophobicContact CG-CZ 4.32Å
308	R	97.5	Very high	97	Very high	148 Å²	148	51.7 Å²	51.7	56%	0.558	26%	0.259	S	S	*	.	H	α-helix	trans	-59.2	-46.7	174.9	-177.6	177.4	179.1	167	4.2	111.7	D305 Y306 V310 T311 E312	D305-R308 HydrophobicContact CB-CB 4.35Å; D305-R308 PolarHBondContact O-N 3.48Å; D305-R308 PolarHBondContact OD2-N 2.55Å; Y306-R308 VanDerWaalsContact C-N 3.31Å; Y306-R308 PolarHBondContact O-N 3.25Å; R308-V310 VanDerWaalsContact C-N 3.34Å; R308-V310 PolarHBondContact O-N 2.68Å; R308-T311 PolarHBondContact O-N 3.41Å; R308-E312 HydrophobicContact CG-CG 4.37Å; R308-E312 IonicContact CZ-OE1 3.34Å; R308-E312 IonicContact NE-OE1 2.74Å; R308-E312 PolarHBondContact NE-OE1 3.07Å; R308-E312 IonicContact NE-OE2 3.75Å; R308-E312 IonicContact NH2-OE1 3.03Å; R308-E312 PolarHBondContact NH2-OE1 3.4Å; R308-E312 WeakPolarHBondContact O-CG 3.39Å; R308-E312 PolarHBondContact O-N 2.74Å
309	W	98.3	Very high	96.9	Very high	13 Å²	13	52.1 Å²	52.1	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-45.9	179.2	-170.2	87.8	0	0	0	111.8	M176 K179 L180 V304 D305 Y306 Q307 N313 I314	M176-W309 VanDerWaalsContact CA-CZ3 3.48Å; M176-W309 HydrophobicContact CB-CE3 3.84Å; M176-W309 HydrophobicContact CB-CH2 3.85Å; M176-W309 HydrophobicContact CB-CZ3 3.37Å; M176-W309 HydrophobicContact CE-CD2 3.95Å; M176-W309 HydrophobicContact CE-CE3 4.33Å; M176-W309 HydrophobicContact CE-CG 4.05Å; M176-W309 HydrophobicContact CG-CD2 4.01Å; M176-W309 HydrophobicContact CG-CE3 3.61Å; M176-W309 HydrophobicContact CG-CH2 3.8Å; M176-W309 HydrophobicContact CG-CZ2 4.13Å; M176-W309 HydrophobicContact CG-CZ3 3.52Å; M176-W309 HydrophobicContact SD-CD2 4.13Å; M176-W309 HydrophobicContact SD-CE3 3.88Å; M176-W309 HydrophobicContact SD-CZ3 4.37Å; K179-W309 HydrophobicContact CB-CH2 3.96Å; K179-W309 HydrophobicContact CB-CZ2 4.33Å; K179-W309 HydrophobicContact CG-CH2 4.11Å; K179-W309 HydrophobicContact CG-CZ2 4.17Å; L180-W309 HydrophobicContact CD2-CZ2 4.48Å; V304-W309 HydrophobicContact CG2-CB 3.84Å; V304-W309 HydrophobicContact CG2-CG 4.32Å; D305-W309 PolarHBondContact O-N 2.84Å; Y306-W309 PolarHBondContact O-N 2.9Å; Q307-W309 PolarHBondContact O-N 2.8Å; W309-N313 HydrophobicContact CD2-CB 4.16Å; W309-N313 HydrophobicContact CE3-CB 4.32Å; W309-N313 HydrophobicContact CH2-CB 3.99Å; W309-N313 HydrophobicContact CZ2-CB 3.87Å; W309-N313 HydrophobicContact CZ3-CB 4.22Å; W309-N313 VanDerWaalsContact O-CB 3.25Å; W309-N313 WeakPolarHBondContact O-CB 3.49Å; W309-N313 PolarHBondContact O-N 2.81Å; W309-N313 PolarHBondContact O-ND2 2.77Å; W309-I314 HydrophobicContact CZ3-CD1 3.81Å; W309-I314 HydrophobicContact CZ3-CG1 4.02Å
310	V	98.6	Very high	96.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-44.1	178.5	169.5	0	0	0	0	111.5	F172 Y306 Q307 R308 I314 L315 F325 M360	F172-V310 HydrophobicContact CB-CG1 4.23Å; F172-V310 HydrophobicContact CB-CG2 4.29Å; F172-V310 HydrophobicContact CD1-CG1 3.7Å; F172-V310 HydrophobicContact CE1-CG1 4.45Å; F172-V310 HydrophobicContact CG-CG1 4.23Å; Y306-V310 HydrophobicContact CD2-CG2 4.03Å; Y306-V310 HydrophobicContact CE1-CG2 4.08Å; Y306-V310 HydrophobicContact CE2-CG2 3.4Å; Y306-V310 VanDerWaalsContact CZ-CG2 3.41Å; Y306-V310 WeakPolarHBondContact O-CG2 3.31Å; Y306-V310 PolarHBondContact O-N 2.8Å; Y306-V310 WeakPolarHBondContact OH-CG2 3.36Å; Q307-V310 PolarHBondContact O-N 2.96Å; R308-V310 VanDerWaalsContact C-N 3.34Å; R308-V310 PolarHBondContact O-N 2.68Å; V310-I314 HydrophobicContact CG1-CD1 4.42Å; V310-I314 WeakPolarHBondContact O-CA 3.34Å; V310-I314 VanDerWaalsContact O-CB 3.32Å; V310-I314 WeakPolarHBondContact O-CB 3.29Å; V310-I314 PolarHBondContact O-N 3.39Å; V310-L315 HydrophobicContact CG1-CD1 4.24Å; V310-L315 HydrophobicContact CG1-CD2 4.45Å; V310-L315 HydrophobicContact CG1-CG 4.07Å; V310-L315 PolarHBondContact O-N 3.36Å; V310-F325 HydrophobicContact CB-CE2 4.06Å; V310-F325 HydrophobicContact CB-CZ 4.46Å; V310-F325 HydrophobicContact CG1-CE2 3.97Å; V310-F325 HydrophobicContact CG1-CZ 4.35Å; V310-F325 HydrophobicContact CG2-CZ 4.49Å; V310-M360 HydrophobicContact CG1-CE 4.28Å
311	T	97.6	Very high	96.7	Very high	50 Å²	50	50.2 Å²	50.2	31%	0.307	26%	0.26	S	S	.	.	I	π-helix	trans	-58.2	-55.9	177.1	-60.8	0	0	0	0	110.9	Q307 R308 N313 L315 D316	Q307-T311 PolarHBondContact O-N 3.18Å; Q307-T311 PolarHBondContact O-OG1 2.81Å; Q307-T311 VanDerWaalsContact O-OG1 3.09Å; R308-T311 PolarHBondContact O-N 3.41Å; T311-N313 PolarHBondContact O-N 3Å; T311-L315 PolarHBondContact O-N 2.64Å; T311-D316 WeakPolarHBondContact O-CB 3.45Å; T311-D316 VanDerWaalsContact O-CG 3.25Å; T311-D316 PolarHBondContact O-N 3.27Å
312	E	97.4	Very high	96.6	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	26%	0.26	S	S	.	.	I	π-helix	trans	-70.2	-34.7	-173.6	-67.2	175.1	172.6	0	0	113.2	R308	R308-E312 HydrophobicContact CG-CG 4.37Å; R308-E312 IonicContact CZ-OE1 3.34Å; R308-E312 IonicContact NE-OE1 2.74Å; R308-E312 PolarHBondContact NE-OE1 3.07Å; R308-E312 IonicContact NE-OE2 3.75Å; R308-E312 IonicContact NH2-OE1 3.03Å; R308-E312 PolarHBondContact NH2-OE1 3.4Å; R308-E312 WeakPolarHBondContact O-CG 3.39Å; R308-E312 PolarHBondContact O-N 2.74Å
313	N	97.3	Very high	96.6	Very high	39 Å²	39	48.3 Å²	48.3	21%	0.209	25%	0.247	C	C	.	.	I	π-helix	trans	-102.5	-17.3	-170.8	-63.7	-84	0	0	0	114.2	W309 T311 R317	W309-N313 HydrophobicContact CD2-CB 4.16Å; W309-N313 HydrophobicContact CE3-CB 4.32Å; W309-N313 HydrophobicContact CH2-CB 3.99Å; W309-N313 HydrophobicContact CZ2-CB 3.87Å; W309-N313 HydrophobicContact CZ3-CB 4.22Å; W309-N313 VanDerWaalsContact O-CB 3.25Å; W309-N313 WeakPolarHBondContact O-CB 3.49Å; W309-N313 PolarHBondContact O-N 2.81Å; W309-N313 PolarHBondContact O-ND2 2.77Å; T311-N313 PolarHBondContact O-N 3Å; N313-R317 WeakPolarHBondContact O-CD 3.34Å
314	I	97.8	Very high	96.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.224	C	C	.	.	I	π-helix	trans	-119.6	-62.3	178.1	-56.2	176	0	0	0	110	F172 L175 W309 V310 R317 L318 L382	F172-I314 HydrophobicContact CD1-CD1 4.05Å; F172-I314 HydrophobicContact CD1-CG2 4.02Å; F172-I314 HydrophobicContact CE1-CG2 3.97Å; L175-I314 HydrophobicContact CB-CD1 3.65Å; L175-I314 HydrophobicContact CD1-CD1 4.08Å; L175-I314 HydrophobicContact CD1-CG2 4.29Å; W309-I314 HydrophobicContact CZ3-CD1 3.81Å; W309-I314 HydrophobicContact CZ3-CG1 4.02Å; V310-I314 HydrophobicContact CG1-CD1 4.42Å; V310-I314 WeakPolarHBondContact O-CA 3.34Å; V310-I314 VanDerWaalsContact O-CB 3.32Å; V310-I314 WeakPolarHBondContact O-CB 3.29Å; V310-I314 PolarHBondContact O-N 3.39Å; I314-R317 PolarHBondContact O-N 2.87Å; I314-L318 HydrophobicContact CG2-CD1 4.06Å; I314-L318 WeakPolarHBondContact O-CB 3.27Å; I314-L318 VanDerWaalsContact O-CG 3.27Å; I314-L318 WeakPolarHBondContact O-CG 3.47Å; I314-L318 PolarHBondContact O-N 2.82Å; I314-L382 HydrophobicContact CG1-CD1 4.39Å; I314-L382 HydrophobicContact CG1-CD2 4.44Å; I314-L382 HydrophobicContact CG2-CD2 4.17Å
315	L	97.5	Very high	96.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	21%	0.212	C	C	.	.	I	π-helix	trans	-66.6	-53.1	-167.1	-53.8	-178.5	0	0	0	111.9	F172 V310 T311 R317 L318 G319 M320 T323 M360	F172-L315 HydrophobicContact CD1-CD2 4.31Å; F172-L315 HydrophobicContact CE1-CD2 3.51Å; F172-L315 HydrophobicContact CZ-CD2 4.16Å; V310-L315 HydrophobicContact CG1-CD1 4.24Å; V310-L315 HydrophobicContact CG1-CD2 4.45Å; V310-L315 HydrophobicContact CG1-CG 4.07Å; V310-L315 PolarHBondContact O-N 3.36Å; T311-L315 PolarHBondContact O-N 2.64Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 3.03Å; L315-L318 CarbonylContact O-C 3.38Å; L315-L318 PolarHBondContact O-N 2.84Å; L315-G319 PolarHBondContact O-N 3.23Å; L315-M320 HydrophobicContact CB-CB 4.28Å; L315-M320 HydrophobicContact CD2-CB 4.07Å; L315-M320 HydrophobicContact CD2-CE 4.2Å; L315-M320 HydrophobicContact CD2-SD 4.03Å; L315-M320 PolarHBondContact O-N 3.06Å; L315-T323 HydrophobicContact CD1-CG2 4.12Å; L315-T323 WeakPolarHBondContact CD1-O 3.24Å; L315-T323 HydrophobicContact CD2-CG2 3.66Å; L315-M360 HydrophobicContact CD1-CE 4.33Å; L315-M360 HydrophobicContact CD2-CE 4.41Å
316	D	96.3	Very high	96.3	Very high	92 Å²	92	45.8 Å²	45.8	49%	0.492	22%	0.216	S	C	.	.	H	α-helix	trans	-62.8	-40.8	-179.7	-64.2	-14.8	0	0	0	110.9	T311 L318 G319	T311-D316 WeakPolarHBondContact O-CB 3.45Å; T311-D316 VanDerWaalsContact O-CG 3.25Å; T311-D316 PolarHBondContact O-N 3.27Å; D316-L318 VanDerWaalsContact C-N 3.32Å; D316-L318 PolarHBondContact O-N 3.29Å; D316-G319 PolarHBondContact O-N 2.74Å
317	R	94.9	Very high	95.8	Very high	135 Å²	135	47.7 Å²	47.7	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-40.8	177.2	-68.6	-158.9	-177.3	-155.2	2.6	112	N313 I314 L315 G319 R380	N313-R317 WeakPolarHBondContact O-CD 3.34Å; I314-R317 PolarHBondContact O-N 2.87Å; L315-R317 VanDerWaalsContact C-N 3.31Å; L315-R317 PolarHBondContact O-N 3.03Å; R317-G319 VanDerWaalsContact C-N 3.33Å; R317-R380 WeakPolarHBondContact O-CD 3.43Å; R317-R380 PolarHBondContact O-NH1 3.26Å
318	L	95.6	Very high	95	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-85	-9	179.8	-62.9	-173.8	0	0	0	113.3	I314 L315 D316 M320 L370 V373 Y378 R380 L382	I314-L318 HydrophobicContact CG2-CD1 4.06Å; I314-L318 WeakPolarHBondContact O-CB 3.27Å; I314-L318 VanDerWaalsContact O-CG 3.27Å; I314-L318 WeakPolarHBondContact O-CG 3.47Å; I314-L318 PolarHBondContact O-N 2.82Å; L315-L318 CarbonylContact O-C 3.38Å; L315-L318 PolarHBondContact O-N 2.84Å; D316-L318 VanDerWaalsContact C-N 3.32Å; D316-L318 PolarHBondContact O-N 3.29Å; L318-M320 HydrophobicContact CB-CG 3.89Å; L318-M320 HydrophobicContact CB-SD 4.07Å; L318-M320 HydrophobicContact CD1-SD 3.96Å; L318-L370 HydrophobicContact CD1-CD1 4.16Å; L318-V373 HydrophobicContact CD1-CG2 4.01Å; L318-V373 HydrophobicContact CD2-CG2 3.53Å; L318-V373 HydrophobicContact CG-CG2 4.37Å; L318-Y378 HydrophobicContact CD2-CD1 4.4Å; L318-Y378 HydrophobicContact CD2-CE1 4.42Å; L318-Y378 PolarHBondContact O-OH 3.34Å; L318-R380 HydrophobicContact CD2-CB 4.25Å; L318-L382 HydrophobicContact CD1-CD2 4.36Å
319	G	95.1	Very high	94.1	Very high	11 Å²	11	47.8 Å²	47.8	11%	0.113	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	36.6	-173.4	0	0	0	0	0	111.9	L315 D316 R317 E321 K369	L315-G319 PolarHBondContact O-N 3.23Å; D316-G319 PolarHBondContact O-N 2.74Å; R317-G319 VanDerWaalsContact C-N 3.33Å; G319-E321 VanDerWaalsContact C-N 3.26Å; G319-E321 PolarHBondContact O-N 3.47Å; G319-K369 PolarHBondContact O-NZ 3.04Å
320	M	96	Very high	93	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.268	C	S	.	.			trans	-87.7	63.1	176.8	-64.9	174.7	70.4	0	0	110.5	F172 L315 L318 D322 T323 D366 M367 K369 L370	F172-M320 HydrophobicContact CE1-CE 4.49Å; F172-M320 HydrophobicContact CZ-CE 4.15Å; L315-M320 HydrophobicContact CB-CB 4.28Å; L315-M320 HydrophobicContact CD2-CB 4.07Å; L315-M320 HydrophobicContact CD2-CE 4.2Å; L315-M320 HydrophobicContact CD2-SD 4.03Å; L315-M320 PolarHBondContact O-N 3.06Å; L318-M320 HydrophobicContact CB-CG 3.89Å; L318-M320 HydrophobicContact CB-SD 4.07Å; L318-M320 HydrophobicContact CD1-SD 3.96Å; M320-D322 VanDerWaalsContact C-N 3.27Å; M320-D322 PolarHBondContact O-N 3.28Å; M320-T323 HydrophobicContact CE-CG2 4.12Å; M320-T323 WeakPolarHBondContact O-CB 3.42Å; M320-T323 PolarHBondContact O-N 2.76Å; M320-D366 VanDerWaalsContact CA-CG 3.43Å; M320-D366 WeakPolarHBondContact CA-OD1 3.23Å; M320-D366 VanDerWaalsContact CA-OD2 3.22Å; M320-D366 WeakPolarHBondContact CA-OD2 3.45Å; M320-D366 HydrophobicContact CB-CB 4.12Å; M320-D366 HydrophobicContact CE-CB 3.99Å; M320-D366 WeakPolarHBondContact CE-O 3.35Å; M320-D366 HydrophobicContact CG-CB 4.1Å; M320-M367 HydrophobicContact CE-SD 4.28Å; M320-K369 HydrophobicContact CG-CD 4.4Å; M320-L370 HydrophobicContact CE-CB 4.2Å; M320-L370 HydrophobicContact SD-CB 4.21Å
321	E	92.6	Very high	92.1	Very high	166 Å²	166	49.9 Å²	49.9	78%	0.776	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.2	-170.5	-63.5	175.1	-169.5	0	0	113.3	G319 T323 D366	G319-E321 VanDerWaalsContact C-N 3.26Å; G319-E321 PolarHBondContact O-N 3.47Å; E321-T323 VanDerWaalsContact C-N 3.33Å; E321-D366 PolarHBondContact N-OD2 3.36Å
322	D	95.3	Very high	91.3	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.214	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	18.2	179.1	-62.1	-55.6	0	0	0	112.5	M320 L331 T363 D366	M320-D322 VanDerWaalsContact C-N 3.27Å; M320-D322 PolarHBondContact O-N 3.28Å; D322-L331 HydrophobicContact CB-CD2 4.11Å; D322-T363 HydrophobicContact CB-CG2 3.5Å; D322-T363 VanDerWaalsContact CB-CG2 3.5Å; D322-D366 WeakPolarHBondContact CA-OD2 3.49Å; D322-D366 PolarHBondContact N-OD2 3.17Å
323	T	97	Very high	90.5	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.049	29%	0.292	C	S	.	.			trans	-115.4	131	179.1	-59.3	0	0	0	0	110.7	F172 L315 M320 E321 M360 F361 S362 D366	F172-T323 HydrophobicContact CZ-CG2 4.41Å; L315-T323 HydrophobicContact CD1-CG2 4.12Å; L315-T323 WeakPolarHBondContact CD1-O 3.24Å; L315-T323 HydrophobicContact CD2-CG2 3.66Å; M320-T323 HydrophobicContact CE-CG2 4.12Å; M320-T323 WeakPolarHBondContact O-CB 3.42Å; M320-T323 PolarHBondContact O-N 2.76Å; E321-T323 VanDerWaalsContact C-N 3.33Å; T323-M360 HydrophobicContact CG2-CE 3.83Å; T323-F361 VanDerWaalsContact CA-O 3.3Å; T323-F361 WeakPolarHBondContact CA-O 3.29Å; T323-F361 WeakPolarHBondContact CG2-O 3.46Å; T323-S362 WeakPolarHBondContact OG1-CB 3.26Å; T323-S362 PolarHBondContact OG1-OG 3.2Å; T323-D366 PolarHBondContact N-OD2 3.11Å; T323-D366 VanDerWaalsContact OG1-CB 3.26Å; T323-D366 WeakPolarHBondContact OG1-CB 3.24Å; T323-D366 PolarHBondContact OG1-OD2 3.08Å
324	S	95.8	Very high	89.9	Confident	18 Å²	18	54.9 Å²	54.9	13%	0.126	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-160.3	169.6	-176.6	72.2	0	0	0	0	113.2	E326 L331 M360 F361	S324-E326 WeakPolarHBondContact CB-O 3.41Å; S324-E326 PolarHBondContact OG-N 3.38Å; S324-E326 PolarHBondContact OG-O 3.18Å; S324-L331 WeakPolarHBondContact OG-CD1 3.49Å; S324-M360 CarbonylContact O-C 3.4Å; S324-M360 WeakPolarHBondContact O-CA 3.35Å; S324-F361 PolarHBondContact N-O 2.87Å; S324-F361 PolarHBondContact O-N 3.2Å
325	F	95.3	Very high	89.7	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.039	30%	0.302	C	S	.	.	S	Bend	trans	-85.9	-15	167.8	-70.7	-89	0	0	0	113.2	Y306 Q307 V310 R355 Q359 M360	Y306-F325 HydrophobicContact CD1-CE1 4.42Å; Y306-F325 HydrophobicContact CD1-CZ 4.12Å; Y306-F325 AromaticContact CE1-CE1 3.76Å; Y306-F325 HydrophobicContact CE1-CE1 3.76Å; Y306-F325 HydrophobicContact CE1-CE2 4.39Å; Y306-F325 AromaticContact CE1-CZ 3.41Å; Y306-F325 HydrophobicContact CE1-CZ 3.41Å; Y306-F325 VanDerWaalsContact CE1-CZ 3.41Å; Q307-F325 HydrophobicContact CB-CD2 3.67Å; Q307-F325 HydrophobicContact CB-CE2 3.99Å; Q307-F325 HydrophobicContact CB-CG 4.16Å; Q307-F325 HydrophobicContact CG-CB 4.07Å; Q307-F325 HydrophobicContact CG-CD1 3.94Å; Q307-F325 HydrophobicContact CG-CD2 3.58Å; Q307-F325 HydrophobicContact CG-CE1 4.29Å; Q307-F325 HydrophobicContact CG-CE2 3.97Å; Q307-F325 HydrophobicContact CG-CG 3.57Å; Q307-F325 HydrophobicContact CG-CZ 4.32Å; V310-F325 HydrophobicContact CB-CE2 4.06Å; V310-F325 HydrophobicContact CB-CZ 4.46Å; V310-F325 HydrophobicContact CG1-CE2 3.97Å; V310-F325 HydrophobicContact CG1-CZ 4.35Å; V310-F325 HydrophobicContact CG2-CZ 4.49Å; F325-R355 HydrophobicContact CD1-CB 4.26Å; F325-Q359 HydrophobicContact CD1-CB 4.39Å; F325-Q359 VanDerWaalsContact O-CG 3.25Å; F325-Q359 WeakPolarHBondContact O-CG 3.46Å; F325-M360 HydrophobicContact CD1-CG 3.63Å; F325-M360 HydrophobicContact CD2-CG 4.46Å; F325-M360 HydrophobicContact CE1-CG 3.39Å; F325-M360 HydrophobicContact CE1-SD 3.83Å; F325-M360 HydrophobicContact CE2-CE 4Å; F325-M360 HydrophobicContact CE2-CG 4.27Å; F325-M360 HydrophobicContact CE2-SD 4.19Å; F325-M360 HydrophobicContact CG-CG 4.16Å; F325-M360 HydrophobicContact CZ-CE 4.03Å; F325-M360 HydrophobicContact CZ-CG 3.74Å; F325-M360 HydrophobicContact CZ-SD 3.6Å; F325-M360 VanDerWaalsContact CZ-SD 3.6Å
326	E	92	Very high	89.6	Confident	108 Å²	108	55.7 Å²	55.7	51%	0.505	30%	0.301	S	S	.	.	S	Bend	trans	-135.5	136.9	-174.1	-60.8	-170.7	173.7	0	0	110.5	S324 T328 R355	S324-E326 WeakPolarHBondContact CB-O 3.41Å; S324-E326 PolarHBondContact OG-N 3.38Å; S324-E326 PolarHBondContact OG-O 3.18Å; E326-T328 PolarHBondContact O-N 3.01Å; E326-R355 IonicContact OE1-CZ 3.27Å; E326-R355 VanDerWaalsContact OE1-CZ 3.27Å; E326-R355 IonicContact OE1-NH1 2.79Å; E326-R355 PolarHBondContact OE1-NH1 3.39Å; E326-R355 IonicContact OE1-NH2 2.81Å; E326-R355 PolarHBondContact OE1-NH2 2.87Å
327	L	86	Confident	89.6	Confident	41 Å²	41	53.1 Å²	53.1	22%	0.215	29%	0.289	C	S	.	.			trans	-72.7	97.7	174	-69	169.3	0	0	0	109.1	I162 L331 F335 L348 F361	I162-L327 HydrophobicContact CG2-CD2 4.13Å; L327-L331 HydrophobicContact CD2-CB 4.33Å; L327-F335 HydrophobicContact CD1-CD2 4.2Å; L327-F335 HydrophobicContact CD1-CE2 4.08Å; L327-F335 HydrophobicContact CD1-CZ 4.25Å; L327-F335 HydrophobicContact CD2-CD2 3.66Å; L327-F335 HydrophobicContact CD2-CE2 3.96Å; L327-F335 HydrophobicContact CD2-CG 4.4Å; L327-L348 HydrophobicContact CD1-CD1 3.54Å; L327-F361 HydrophobicContact CD1-CD1 4.31Å; L327-F361 HydrophobicContact CD1-CE1 3.84Å; L327-F361 HydrophobicContact CD1-CZ 3.99Å; L327-F361 HydrophobicContact CD2-CB 4.15Å; L327-F361 HydrophobicContact CD2-CD1 3.68Å; L327-F361 HydrophobicContact CD2-CD2 4.18Å; L327-F361 HydrophobicContact CD2-CE1 4.07Å; L327-F361 HydrophobicContact CD2-CG 3.73Å; L327-F361 HydrophobicContact CD2-CZ 4.49Å; L327-F361 HydrophobicContact CG-CD1 3.99Å; L327-F361 HydrophobicContact CG-CD2 4.06Å; L327-F361 HydrophobicContact CG-CE1 3.89Å; L327-F361 HydrophobicContact CG-CE2 3.99Å; L327-F361 HydrophobicContact CG-CG 4.06Å; L327-F361 HydrophobicContact CG-CZ 3.89Å
328	T	81.4	Confident	89.7	Confident	70 Å²	70	46.7 Å²	46.7	43%	0.429	26%	0.264	S	S	.	.			trans	-66.7	159.4	170.5	70.8	0	0	0	0	109.7	E326 G330 L331 Q332	E326-T328 PolarHBondContact O-N 3.01Å; T328-G330 PolarHBondContact O-N 2.95Å; T328-G330 VanDerWaalsContact O-N 3.13Å; T328-L331 HydrophobicContact CG2-CD1 4.46Å; T328-L331 PolarHBondContact O-N 2.83Å; T328-L331 WeakPolarHBondContact OG1-CG 3.48Å; T328-Q332 PolarHBondContact O-N 3.35Å
329	P	79.4	Confident	89.8	Confident	113 Å²	113	46.7 Å²	46.7	73%	0.734	26%	0.264	S	S	*	.	H	α-helix	trans	-53.6	-35.3	179	-28.6	35.9	0	0	0	113.8
330	G	74.4	Confident	89.8	Confident	47 Å²	47	49.8 Å²	49.8	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-47.6	174.9	0	0	0	0	0	112.4	T328 Q332 S333	T328-G330 PolarHBondContact O-N 2.95Å; T328-G330 VanDerWaalsContact O-N 3.13Å; G330-Q332 VanDerWaalsContact C-N 3.34Å; G330-Q332 PolarHBondContact O-N 2.8Å; G330-S333 PolarHBondContact O-N 2.89Å; G330-S333 PolarHBondContact O-OG 3.32Å
331	L	79.1	Confident	89.7	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-37.1	178.4	-64.6	-178	0	0	0	112.2	I162 D322 S324 L327 T328 S333 Q334 F335	I162-L331 HydrophobicContact CD1-CB 3.47Å; I162-L331 VanDerWaalsContact CD1-CB 3.47Å; I162-L331 HydrophobicContact CD1-CD2 3.23Å; I162-L331 HydrophobicContact CD1-CG 3.83Å; I162-L331 WeakPolarHBondContact CD1-O 3.45Å; I162-L331 HydrophobicContact CG1-CD2 4.36Å; D322-L331 HydrophobicContact CB-CD2 4.11Å; S324-L331 WeakPolarHBondContact OG-CD1 3.49Å; L327-L331 HydrophobicContact CD2-CB 4.33Å; T328-L331 HydrophobicContact CG2-CD1 4.46Å; T328-L331 PolarHBondContact O-N 2.83Å; T328-L331 WeakPolarHBondContact OG1-CG 3.48Å; L331-S333 PolarHBondContact O-N 3.27Å; L331-Q334 PolarHBondContact O-N 3.39Å; L331-F335 PolarHBondContact O-N 2.77Å
332	Q	80.7	Confident	89.8	Confident	131 Å²	131	50.4 Å²	50.4	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-60.4	-31	-178.2	-168.1	172.5	1.4	0	0	112.8	T328 G330 Q334 F335	T328-Q332 PolarHBondContact O-N 3.35Å; G330-Q332 VanDerWaalsContact C-N 3.34Å; G330-Q332 PolarHBondContact O-N 2.8Å; Q332-Q334 VanDerWaalsContact C-N 3.28Å; Q332-Q334 PolarHBondContact O-N 2.87Å; Q332-F335 WeakPolarHBondContact O-CB 3.22Å; Q332-F335 PolarHBondContact O-N 3.08Å
333	S	80.9	Confident	89.7	Confident	77 Å²	77	49.7 Å²	49.7	54%	0.538	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.2	178.5	73.8	0	0	0	0	114.2	R147 G330 L331	R147-S333 PolarHBondContact NH1-O 3.34Å; G330-S333 PolarHBondContact O-N 2.89Å; G330-S333 PolarHBondContact O-OG 3.32Å; L331-S333 PolarHBondContact O-N 3.27Å
334	Q	85.4	Confident	89.6	Confident	69 Å²	69	55.8 Å²	55.8	32%	0.322	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8	-177.6	-61.5	-168.5	68.5	0	0	113	T161 I162 L331 Q332	T161-Q334 WeakPolarHBondContact CA-O 3.32Å; T161-Q334 WeakPolarHBondContact CG2-O 3.49Å; I162-Q334 HydrophobicContact CD1-CB 4.06Å; I162-Q334 HydrophobicContact CG1-CB 4.45Å; I162-Q334 PolarHBondContact N-O 3.42Å; L331-Q334 PolarHBondContact O-N 3.39Å; Q332-Q334 VanDerWaalsContact C-N 3.28Å; Q332-Q334 PolarHBondContact O-N 2.87Å
335	F	93.3	Very high	89.6	Confident	20 Å²	20	58.3 Å²	58.3	9%	0.088	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-77.8	135.8	-172.6	-171.8	-109.3	0	0	0	113.3	R147 I162 L327 L331 Q332 L348 F361 Y431	R147-F335 WeakPolarHBondContact CD-O 3.11Å; R147-F335 WeakPolarHBondContact CG-O 2.94Å; I162-F335 HydrophobicContact CB-CD2 4.21Å; I162-F335 HydrophobicContact CG2-CD2 3.89Å; I162-F335 HydrophobicContact CG2-CE2 4.44Å; I162-F335 WeakPolarHBondContact O-CD2 3.45Å; L327-F335 HydrophobicContact CD1-CD2 4.2Å; L327-F335 HydrophobicContact CD1-CE2 4.08Å; L327-F335 HydrophobicContact CD1-CZ 4.25Å; L327-F335 HydrophobicContact CD2-CD2 3.66Å; L327-F335 HydrophobicContact CD2-CE2 3.96Å; L327-F335 HydrophobicContact CD2-CG 4.4Å; L331-F335 PolarHBondContact O-N 2.77Å; Q332-F335 WeakPolarHBondContact O-CB 3.22Å; Q332-F335 PolarHBondContact O-N 3.08Å; F335-L348 HydrophobicContact CD1-CD1 4.46Å; F335-L348 HydrophobicContact CE1-CD1 3.77Å; F335-L348 HydrophobicContact CE1-CD2 4.02Å; F335-L348 HydrophobicContact CE1-CG 4.35Å; F335-L348 HydrophobicContact CZ-CD1 4.13Å; F335-L348 HydrophobicContact CZ-CD2 3.72Å; F335-L348 HydrophobicContact CZ-CG 4.5Å; F335-F361 AromaticContact CE2-CD1 3.78Å; F335-F361 HydrophobicContact CE2-CD1 3.78Å; F335-F361 AromaticContact CE2-CE1 3.95Å; F335-F361 HydrophobicContact CE2-CE1 3.95Å; F335-F361 HydrophobicContact CZ-CE1 4.27Å; F335-Y431 HydrophobicContact CE1-CE1 4.43Å; F335-Y431 AromaticContact CE1-CZ 3.96Å; F335-Y431 WeakPolarHBondContact CE1-OH 3.14Å; F335-Y431 HydrophobicContact CE2-CE1 4.4Å; F335-Y431 AromaticContact CZ-CE1 3.81Å; F335-Y431 HydrophobicContact CZ-CE1 3.81Å; F335-Y431 HydrophobicContact CZ-CE2 4.41Å; F335-Y431 AromaticContact CZ-CZ 3.49Å; F335-Y431 VanDerWaalsContact CZ-CZ 3.49Å; F335-Y431 WeakPolarHBondContact CZ-OH 3.5Å
336	A	96	Very high	89.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.335	C	S	.	.			trans	-82.1	129.5	170	0	0	0	0	0	111.3	A127 R147 T161 I162 Y163 G338 Y431 A450	A127-A336 HydrophobicContact CB-CB 4.49Å; R147-A336 HydrophobicContact CG-CB 4.11Å; R147-A336 CarbonylContact O-C 3.55Å; R147-A336 WeakPolarHBondContact O-CA 3.27Å; T161-A336 HydrophobicContact CG2-CB 3.72Å; I162-A336 PolarHBondContact O-N 2.74Å; Y163-A336 HydrophobicContact CD1-CB 3.81Å; Y163-A336 HydrophobicContact CE1-CB 3.54Å; Y163-A336 HydrophobicContact CG-CB 4.47Å; A336-G338 PolarHBondContact O-N 2.83Å; A336-Y431 WeakPolarHBondContact O-CE1 3.45Å; A336-Y431 PolarHBondContact O-OH 2.84Å; A336-Y431 VanDerWaalsContact O-OH 3.12Å; A336-A450 HydrophobicContact CB-CB 3.69Å
337	V	95.9	Very high	89.6	Confident	39 Å²	39	56.6 Å²	56.6	24%	0.236	33%	0.332	C	S	.	.			trans	-80.9	103.2	179.8	-177.8	0	0	0	0	109.6	R147 N148 P345	R147-V337 PolarHBondContact O-N 3.02Å; N148-V337 HydrophobicContact CB-CB 4.35Å; N148-V337 HydrophobicContact CB-CG2 3.89Å; V337-P345 HydrophobicContact CG1-CB 4.27Å
338	G	96.5	Very high	89.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.343	C	S	.	.			trans	-68	146.3	175.3	0	0	0	0	0	113.3	A336 P345 A346 G430 Y431	A336-G338 PolarHBondContact O-N 2.83Å; G338-P345 WeakPolarHBondContact O-CA 3.45Å; G338-A346 PolarHBondContact O-N 3.44Å; G338-G430 CarbonylContact C-O 3.54Å; G338-G430 WeakPolarHBondContact CA-O 3.31Å; G338-Y431 VanDerWaalsContact CA-CZ 3.45Å; G338-Y431 WeakPolarHBondContact CA-OH 3.18Å; G338-Y431 VanDerWaalsContact N-CZ 3.34Å; G338-Y431 PolarHBondContact N-OH 2.81Å
339	V	97.2	Very high	90.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-133.9	147.8	-177	-59.1	0	0	0	0	111.4	I123 P126 K344 G430	I123-V339 VanDerWaalsContact O-CG2 3.32Å; I123-V339 WeakPolarHBondContact O-CG2 3.3Å; P126-V339 HydrophobicContact CG-CG1 4.2Å; P126-V339 HydrophobicContact CG-CG2 3.57Å; V339-K344 CarbonylContact C-O 3.58Å; V339-K344 VanDerWaalsContact CA-O 3.29Å; V339-K344 WeakPolarHBondContact CA-O 3.29Å; V339-G430 PolarHBondContact N-O 3.03Å; V339-G430 WeakPolarHBondContact O-CA 3.32Å
340	Y	96.3	Very high	91.1	Very high	76 Å²	76	54.7 Å²	54.7	30%	0.298	31%	0.31	S	S	.	.			trans	-69.8	171.1	167.3	-62.7	-69.5	0	0	0	111.1	N342 G343 K344 A346 P347 D429	Y340-N342 PolarHBondContact O-N 2.84Å; Y340-G343 PolarHBondContact O-N 2.91Å; Y340-K344 HydrophobicContact CD2-CB 4.48Å; Y340-K344 PolarHBondContact N-O 3.42Å; Y340-A346 HydrophobicContact CD2-CB 4.26Å; Y340-A346 HydrophobicContact CE1-CB 4.3Å; Y340-A346 HydrophobicContact CE2-CB 3.92Å; Y340-P347 WeakPolarHBondContact OH-CD 3.18Å; Y340-D429 HydrophobicContact CE1-CB 3.75Å; Y340-D429 PolarHBondContact OH-OD2 2.75Å
341	S	93.2	Very high	92.2	Very high	86 Å²	86	52.7 Å²	52.7	60%	0.601	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21	-179.9	57.4	0	0	0	0	114.7	G343	S341-G343 VanDerWaalsContact C-N 3.34Å
342	N	94	Very high	93	Very high	96 Å²	96	52.8 Å²	52.8	51%	0.513	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5	175.1	65.8	8.3	0	0	0	114	Y340 K344	Y340-N342 PolarHBondContact O-N 2.84Å; N342-K344 VanDerWaalsContact C-N 3.29Å; N342-K344 PolarHBondContact O-N 2.94Å; N342-K344 VanDerWaalsContact OD1-CB 3.31Å; N342-K344 WeakPolarHBondContact OD1-CB 3.3Å; N342-K344 WeakPolarHBondContact OD1-CG 3.47Å; N342-K344 PolarHBondContact OD1-N 3.15Å
343	G	94.1	Very high	93.8	Very high	24 Å²	24	47.1 Å²	47.1	25%	0.247	26%	0.264	C	S	.	.	S	Bend	trans	79.2	0.6	-179.7	0	0	0	0	0	115.6	I123 Y340 S341	I123-G343 WeakPolarHBondContact O-CA 3.22Å; Y340-G343 PolarHBondContact O-N 2.91Å; S341-G343 VanDerWaalsContact C-N 3.34Å
344	K	95.7	Very high	94.6	Very high	137 Å²	137	43.4 Å²	43.4	60%	0.596	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-71.8	134.4	174	-66.9	-172.5	179.3	-175.1	0	110	V339 Y340 N342 A346	V339-K344 CarbonylContact C-O 3.58Å; V339-K344 VanDerWaalsContact CA-O 3.29Å; V339-K344 WeakPolarHBondContact CA-O 3.29Å; Y340-K344 HydrophobicContact CD2-CB 4.48Å; Y340-K344 PolarHBondContact N-O 3.42Å; N342-K344 VanDerWaalsContact C-N 3.29Å; N342-K344 PolarHBondContact O-N 2.94Å; N342-K344 VanDerWaalsContact OD1-CB 3.31Å; N342-K344 WeakPolarHBondContact OD1-CB 3.3Å; N342-K344 WeakPolarHBondContact OD1-CG 3.47Å; N342-K344 PolarHBondContact OD1-N 3.15Å; K344-A346 PolarHBondContact O-N 2.95Å
345	P	95.4	Very high	95.1	Very high	71 Å²	71	41.7 Å²	41.7	46%	0.461	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-53.9	133.4	172.5	-26.5	35	0	0	0	111.6	V337 G338	V337-P345 HydrophobicContact CG1-CB 4.27Å; G338-P345 WeakPolarHBondContact O-CA 3.45Å
346	A	95.2	Very high	95.4	Very high	11 Å²	11	40.7 Å²	40.7	9%	0.091	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-82.6	138.1	174.7	0	0	0	0	0	110.3	G338 Y340 K344 D429	G338-A346 PolarHBondContact O-N 3.44Å; Y340-A346 HydrophobicContact CD2-CB 4.26Å; Y340-A346 HydrophobicContact CE1-CB 4.3Å; Y340-A346 HydrophobicContact CE2-CB 3.92Å; K344-A346 PolarHBondContact O-N 2.95Å; A346-D429 VanDerWaalsContact CB-C 3.45Å; A346-D429 HydrophobicContact CB-CB 4.24Å; A346-D429 WeakPolarHBondContact CB-O 3.48Å
347	P	92	Very high	95.4	Very high	70 Å²	70	40.9 Å²	40.9	46%	0.455	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-70.1	145.4	178.9	30.7	-33.3	0	0	0	110.8	Y340 Y349	Y340-P347 WeakPolarHBondContact OH-CD 3.18Å; P347-Y349 HydrophobicContact CG-CD1 4.22Å; P347-Y349 HydrophobicContact CG-CE1 4.4Å; P347-Y349 WeakPolarHBondContact O-CD1 3.4Å
348	L	90.5	Very high	95.5	Very high	85 Å²	85	39.2 Å²	39.2	45%	0.445	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-87.8	133.1	166.6	-64.7	173.9	0	0	0	109.4	L327 F335 F361 Y431	L327-L348 HydrophobicContact CD1-CD1 3.54Å; F335-L348 HydrophobicContact CD1-CD1 4.46Å; F335-L348 HydrophobicContact CE1-CD1 3.77Å; F335-L348 HydrophobicContact CE1-CD2 4.02Å; F335-L348 HydrophobicContact CE1-CG 4.35Å; F335-L348 HydrophobicContact CZ-CD1 4.13Å; F335-L348 HydrophobicContact CZ-CD2 3.72Å; F335-L348 HydrophobicContact CZ-CG 4.5Å; L348-F361 HydrophobicContact CD2-CE1 4.35Å; L348-Y431 HydrophobicContact CD2-CE2 4.29Å
349	Y	93.5	Very high	95.5	Very high	52 Å²	52	39.7 Å²	39.7	20%	0.204	22%	0.219	C	C	.	.			trans	-146.7	156.2	-179.6	51.2	-103	0	0	0	110.3	R164 L258 P347 L351 Q359 L428 D429	R164-Y349 PolarHBondContact NH2-O 3.22Å; L258-Y349 HydrophobicContact CD2-CD2 3.22Å; L258-Y349 HydrophobicContact CD2-CE2 3.7Å; L258-Y349 HydrophobicContact CD2-CG 3.91Å; P347-Y349 HydrophobicContact CG-CD1 4.22Å; P347-Y349 HydrophobicContact CG-CE1 4.4Å; P347-Y349 WeakPolarHBondContact O-CD1 3.4Å; Y349-L351 HydrophobicContact CD2-CD2 4.12Å; Y349-L351 HydrophobicContact CE2-CD2 3.69Å; Y349-Q359 PolarHBondContact O-NE2 3.32Å; Y349-Q359 PolarHBondContact O-OE1 3.27Å; Y349-L428 HydrophobicContact CE2-CD1 4.48Å; Y349-L428 HydrophobicContact CE2-CD2 4.31Å; Y349-L428 WeakPolarHBondContact OH-CD1 3.31Å; Y349-L428 WeakPolarHBondContact OH-CG 3.45Å; Y349-D429 HydrophobicContact CE1-CB 3.96Å; Y349-D429 WeakPolarHBondContact OH-CB 3.49Å; Y349-D429 VanDerWaalsContact OH-CG 3.23Å
350	D	94.6	Very high	95.5	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.251	22%	0.219	S	C	.	.			trans	-89.5	125.2	176.8	-172.4	-2.8	0	0	0	111	L258 G352 R355	L258-D350 WeakPolarHBondContact CD2-O 3.42Å; D350-G352 PolarHBondContact O-N 3.28Å; D350-G352 PolarHBondContact OD1-N 3.34Å; D350-R355 VanDerWaalsContact CG-NH2 3.34Å; D350-R355 IonicContact OD1-CZ 3.49Å; D350-R355 IonicContact OD1-NE 3.39Å; D350-R355 PolarHBondContact OD1-NE 3.24Å; D350-R355 IonicContact OD1-NH2 2.8Å; D350-R355 PolarHBondContact OD1-NH2 2.76Å; D350-R355 IonicContact OD2-CZ 3.44Å; D350-R355 IonicContact OD2-NE 3.79Å; D350-R355 PolarHBondContact OD2-NE 3.14Å; D350-R355 IonicContact OD2-NH2 2.76Å; D350-R355 PolarHBondContact OD2-NH2 2.92Å
351	L	95.9	Very high	95.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	21%	0.206	C	C	.	.			trans	-71.2	-4.8	174	-66.7	-177.9	0	0	0	113.7	L257 L258 Y349 W353 Y354 G358 Q359 L428	L257-L351 HydrophobicContact CB-CD2 4.05Å; L257-L351 CarbonylContact O-C 3.6Å; L257-L351 VanDerWaalsContact O-CA 3.24Å; L257-L351 WeakPolarHBondContact O-CA 3.33Å; L257-L351 WeakPolarHBondContact O-CD2 3.44Å; L258-L351 HydrophobicContact CD2-CD2 4.14Å; Y349-L351 HydrophobicContact CD2-CD2 4.12Å; Y349-L351 HydrophobicContact CE2-CD2 3.69Å; L351-W353 PolarHBondContact O-N 3.2Å; L351-Y354 WeakPolarHBondContact O-CB 3.44Å; L351-Y354 PolarHBondContact O-N 3.37Å; L351-G358 WeakPolarHBondContact CD1-O 3.3Å; L351-Q359 HydrophobicContact CB-CB 4.48Å; L351-Q359 HydrophobicContact CD1-CB 4.25Å; L351-Q359 VanDerWaalsContact CG-OE1 3.28Å; L351-L428 HydrophobicContact CD1-CD2 4.27Å
352	G	95.8	Very high	95.8	Very high	13 Å²	13	32.2 Å²	32.2	13%	0.134	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	58.9	-123.1	176.5	0	0	0	0	0	111.9	D350 Y354 R355	D350-G352 PolarHBondContact O-N 3.28Å; D350-G352 PolarHBondContact OD1-N 3.34Å; G352-Y354 PolarHBondContact O-N 2.82Å; G352-Y354 VanDerWaalsContact O-N 3.16Å; G352-R355 WeakPolarHBondContact O-CB 3.28Å; G352-R355 WeakPolarHBondContact O-CD 3.45Å; G352-R355 WeakPolarHBondContact O-CG 3.38Å; G352-R355 PolarHBondContact O-N 3.35Å; G352-R355 VanDerWaalsContact O-N 3.12Å
353	W	97.4	Very high	96	Very high	11 Å²	11	27.6 Å²	27.6	4%	0.042	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-61.9	-24.2	178.5	-170.2	82.4	0	0	0	112.8	L252 W259 T263 A266 L288 L292 H295 L351 R355 P356	L252-W353 HydrophobicContact CD1-CE3 4.24Å; L252-W353 HydrophobicContact CD1-CZ3 4.04Å; W259-W353 HydrophobicContact CE3-CB 3.62Å; W259-W353 HydrophobicContact CE3-CD2 4.12Å; W259-W353 HydrophobicContact CE3-CE3 4.21Å; W259-W353 AromaticContact CE3-CG 3.88Å; W259-W353 HydrophobicContact CE3-CG 3.88Å; W259-W353 HydrophobicContact CZ3-CB 3.85Å; W259-W353 AromaticContact CZ3-CD2 3.68Å; W259-W353 HydrophobicContact CZ3-CD2 3.68Å; W259-W353 HydrophobicContact CZ3-CE3 4.02Å; W259-W353 AromaticContact CZ3-CG 3.59Å; W259-W353 HydrophobicContact CZ3-CG 3.59Å; W259-W353 WeakPolarHBondContact O-CB 3.35Å; W259-W353 PolarHBondContact O-N 2.87Å; T263-W353 HydrophobicContact CG2-CZ2 4.45Å; T263-W353 PolarHBondContact OG1-NE1 3.17Å; A266-W353 HydrophobicContact CB-CH2 3.91Å; A266-W353 HydrophobicContact CB-CZ2 3.67Å; A266-W353 HydrophobicContact CB-CZ3 4.48Å; L288-W353 HydrophobicContact CD1-CH2 3.84Å; L288-W353 HydrophobicContact CD1-CZ3 3.91Å; L292-W353 HydrophobicContact CB-CH2 3.95Å; L292-W353 HydrophobicContact CB-CZ2 4.46Å; L292-W353 HydrophobicContact CD1-CH2 4.2Å; L292-W353 HydrophobicContact CD1-CZ2 4.11Å; H295-W353 AromaticContact CD2-CD1 3.76Å; H295-W353 AromaticContact CD2-CD2 4Å; H295-W353 AromaticContact CD2-CE2 3.45Å; H295-W353 VanDerWaalsContact CD2-CE2 3.45Å; H295-W353 AromaticContact CD2-CZ2 3.87Å; H295-W353 AromaticContact CD2-NE1 3.26Å; H295-W353 PolarHBondContact CD2-NE1 2.95Å; H295-W353 VanDerWaalsContact CD2-NE1 3.26Å; H295-W353 AromaticContact CG-NE1 3.93Å; H295-W353 AromaticContact NE2-CD1 3.78Å; H295-W353 AromaticContact NE2-NE1 3.78Å; H295-W353 PolarHBondContact NE2-O 2.98Å; L351-W353 PolarHBondContact O-N 3.2Å; W353-R355 VanDerWaalsContact C-N 3.25Å; W353-R355 PolarHBondContact O-N 3.06Å; W353-P356 WeakPolarHBondContact O-CD 3.38Å
354	Y	97.8	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-80.6	3.1	177.8	-75.5	-73.3	0	0	0	114.8	L252 L257 N287 L288 S291 L351 G352 P356 S357	L252-Y354 WeakPolarHBondContact CB-OH 3.46Å; L252-Y354 VanDerWaalsContact CG-OH 3.29Å; L252-Y354 WeakPolarHBondContact CG-OH 3.47Å; L252-Y354 PolarHBondContact N-OH 3.45Å; L257-Y354 HydrophobicContact CD2-CD2 4.43Å; L257-Y354 HydrophobicContact CD2-CG 4.32Å; N287-Y354 HydrophobicContact CB-CD1 4.11Å; N287-Y354 HydrophobicContact CB-CE1 4.26Å; L288-Y354 HydrophobicContact CB-CE1 4.42Å; S291-Y354 WeakPolarHBondContact OG-CA 3.42Å; S291-Y354 PolarHBondContact OG-O 3.46Å; L351-Y354 WeakPolarHBondContact O-CB 3.44Å; L351-Y354 PolarHBondContact O-N 3.37Å; G352-Y354 PolarHBondContact O-N 2.82Å; G352-Y354 VanDerWaalsContact O-N 3.16Å; Y354-P356 VanDerWaalsContact C-CD 3.42Å; Y354-S357 WeakPolarHBondContact O-CB 3.37Å; Y354-S357 PolarHBondContact O-N 3.44Å; Y354-S357 PolarHBondContact O-OG 3.49Å
355	R	97.5	Very high	96.3	Very high	32 Å²	32	20.7 Å²	20.7	12%	0.121	12%	0.119	C	C	.	.	H	α-helix	trans	-43.8	-48.9	178.9	-83	175.4	172.7	-151.7	-1.5	115.2	F325 E326 D350 G352 W353 S357 G358 Q359	F325-R355 HydrophobicContact CD1-CB 4.26Å; E326-R355 IonicContact OE1-CZ 3.27Å; E326-R355 VanDerWaalsContact OE1-CZ 3.27Å; E326-R355 IonicContact OE1-NH1 2.79Å; E326-R355 PolarHBondContact OE1-NH1 3.39Å; E326-R355 IonicContact OE1-NH2 2.81Å; E326-R355 PolarHBondContact OE1-NH2 2.87Å; D350-R355 VanDerWaalsContact CG-NH2 3.34Å; D350-R355 IonicContact OD1-CZ 3.49Å; D350-R355 IonicContact OD1-NE 3.39Å; D350-R355 PolarHBondContact OD1-NE 3.24Å; D350-R355 IonicContact OD1-NH2 2.8Å; D350-R355 PolarHBondContact OD1-NH2 2.76Å; D350-R355 IonicContact OD2-CZ 3.44Å; D350-R355 IonicContact OD2-NE 3.79Å; D350-R355 PolarHBondContact OD2-NE 3.14Å; D350-R355 IonicContact OD2-NH2 2.76Å; D350-R355 PolarHBondContact OD2-NH2 2.92Å; G352-R355 WeakPolarHBondContact O-CB 3.28Å; G352-R355 WeakPolarHBondContact O-CD 3.45Å; G352-R355 WeakPolarHBondContact O-CG 3.38Å; G352-R355 PolarHBondContact O-N 3.35Å; G352-R355 VanDerWaalsContact O-N 3.12Å; W353-R355 VanDerWaalsContact C-N 3.25Å; W353-R355 PolarHBondContact O-N 3.06Å; R355-S357 PolarHBondContact O-N 3.02Å; R355-S357 VanDerWaalsContact O-N 3.09Å; R355-G358 PolarHBondContact O-N 3.38Å; R355-Q359 HydrophobicContact CB-CB 3.98Å; R355-Q359 HydrophobicContact CG-CB 3.75Å; R355-Q359 HydrophobicContact CG-CG 3.83Å; R355-Q359 WeakPolarHBondContact O-CB 3.45Å; R355-Q359 PolarHBondContact O-N 3.07Å
356	P	98.2	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-24.3	-179.8	-20.6	29.3	0	0	0	114.3	S169 P173 A294 Y306 W353 Y354	S169-P356 CarbonylContact C-O 3.59Å; P173-P356 HydrophobicContact CG-CB 3.92Å; A294-P356 HydrophobicContact CB-CB 3.45Å; A294-P356 VanDerWaalsContact CB-CB 3.45Å; A294-P356 HydrophobicContact CB-CG 3.62Å; Y306-P356 HydrophobicContact CD1-CB 3.98Å; Y306-P356 HydrophobicContact CD1-CG 3.59Å; Y306-P356 HydrophobicContact CE1-CB 3.49Å; Y306-P356 VanDerWaalsContact CE1-CB 3.49Å; Y306-P356 HydrophobicContact CE1-CG 3.65Å; Y306-P356 HydrophobicContact CG-CG 4.32Å; W353-P356 WeakPolarHBondContact O-CD 3.38Å; Y354-P356 VanDerWaalsContact C-CD 3.42Å
357	S	97.6	Very high	96.6	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-88.7	-15.8	-176.6	75.5	0	0	0	0	113.6	K170 N287 S291 Y354 R355	K170-S357 PolarHBondContact NZ-O 3.3Å; N287-S357 WeakPolarHBondContact O-CB 3.42Å; S291-S357 WeakPolarHBondContact OG-CB 3.33Å; Y354-S357 WeakPolarHBondContact O-CB 3.37Å; Y354-S357 PolarHBondContact O-N 3.44Å; Y354-S357 PolarHBondContact O-OG 3.49Å; R355-S357 PolarHBondContact O-N 3.02Å; R355-S357 VanDerWaalsContact O-N 3.09Å
358	G	96.8	Very high	96.8	Very high	5 Å²	5	13.6 Å²	13.6	5%	0.052	7%	0.072	C	C	.	.	H	α-helix	trans	-173.9	8.9	-174.6	0	0	0	0	0	120.4	A166 L351 R355	A166-G358 WeakPolarHBondContact CA-O 3.36Å; A166-G358 CarbonylContact O-C 3.51Å; A166-G358 VanDerWaalsContact O-CA 3.27Å; A166-G358 WeakPolarHBondContact O-CA 3.43Å; L351-G358 WeakPolarHBondContact CD1-O 3.3Å; R355-G358 PolarHBondContact O-N 3.38Å
359	Q	96.2	Very high	97.2	Very high	9 Å²	9	12.2 Å²	12.2	4%	0.042	6%	0.062	C	C	.	.			trans	-84.2	-27.5	-170.8	-179.9	70.8	-0.2	0	0	114.2	S169 F325 Y349 L351 R355 F361	S169-Q359 PolarHBondContact OG-N 2.92Å; F325-Q359 HydrophobicContact CD1-CB 4.39Å; F325-Q359 VanDerWaalsContact O-CG 3.25Å; F325-Q359 WeakPolarHBondContact O-CG 3.46Å; Y349-Q359 PolarHBondContact O-NE2 3.32Å; Y349-Q359 PolarHBondContact O-OE1 3.27Å; L351-Q359 HydrophobicContact CB-CB 4.48Å; L351-Q359 HydrophobicContact CD1-CB 4.25Å; L351-Q359 VanDerWaalsContact CG-OE1 3.28Å; R355-Q359 HydrophobicContact CB-CB 3.98Å; R355-Q359 HydrophobicContact CG-CB 3.75Å; R355-Q359 HydrophobicContact CG-CG 3.83Å; R355-Q359 WeakPolarHBondContact O-CB 3.45Å; R355-Q359 PolarHBondContact O-N 3.07Å; Q359-F361 HydrophobicContact CG-CE2 4.5Å; Q359-F361 WeakPolarHBondContact O-CE2 3.41Å
360	M	97.6	Very high	97.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.			trans	-61.6	155.5	-159	-62.5	176.9	77.1	0	0	113.4	I165 S169 F172 V310 L315 T323 S324 F325	I165-M360 HydrophobicContact CD1-CB 3.89Å; I165-M360 HydrophobicContact CG1-CB 3.84Å; I165-M360 VanDerWaalsContact CG1-O 3.31Å; I165-M360 WeakPolarHBondContact CG1-O 3.41Å; I165-M360 PolarHBondContact N-O 2.84Å; S169-M360 VanDerWaalsContact OG-CB 3.3Å; S169-M360 WeakPolarHBondContact OG-CB 2.94Å; S169-M360 WeakPolarHBondContact OG-CG 3.38Å; S169-M360 PolarHBondContact OG-N 2.99Å; F172-M360 HydrophobicContact CB-SD 4.27Å; F172-M360 HydrophobicContact CD1-CE 4.05Å; F172-M360 HydrophobicContact CD1-SD 4.4Å; F172-M360 HydrophobicContact CD2-CE 3.8Å; F172-M360 HydrophobicContact CD2-SD 3.26Å; F172-M360 WeakPolarHBondContact CD2-SD 3.44Å; F172-M360 HydrophobicContact CE1-CE 3.92Å; F172-M360 HydrophobicContact CE2-CE 3.65Å; F172-M360 HydrophobicContact CE2-SD 3.54Å; F172-M360 VanDerWaalsContact CE2-SD 3.54Å; F172-M360 HydrophobicContact CG-CE 3.98Å; F172-M360 HydrophobicContact CG-SD 3.73Å; F172-M360 HydrophobicContact CZ-CE 3.7Å; F172-M360 HydrophobicContact CZ-SD 4.23Å; V310-M360 HydrophobicContact CG1-CE 4.28Å; L315-M360 HydrophobicContact CD1-CE 4.33Å; L315-M360 HydrophobicContact CD2-CE 4.41Å; T323-M360 HydrophobicContact CG2-CE 3.83Å; S324-M360 CarbonylContact O-C 3.4Å; S324-M360 WeakPolarHBondContact O-CA 3.35Å; F325-M360 HydrophobicContact CD1-CG 3.63Å; F325-M360 HydrophobicContact CD2-CG 4.46Å; F325-M360 HydrophobicContact CE1-CG 3.39Å; F325-M360 HydrophobicContact CE1-SD 3.83Å; F325-M360 HydrophobicContact CE2-CE 4Å; F325-M360 HydrophobicContact CE2-CG 4.27Å; F325-M360 HydrophobicContact CE2-SD 4.19Å; F325-M360 HydrophobicContact CG-CG 4.16Å; F325-M360 HydrophobicContact CZ-CE 4.03Å; F325-M360 HydrophobicContact CZ-CG 3.74Å; F325-M360 HydrophobicContact CZ-SD 3.6Å; F325-M360 VanDerWaalsContact CZ-SD 3.6Å
361	F	97.8	Very high	97.6	Very high	6 Å²	6	7.5 Å²	7.5	3%	0.026	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	172	-55.8	-87.7	0	0	0	108.3	I162 Y163 R164 T323 S324 L327 F335 L348 Q359	I162-F361 HydrophobicContact CG2-CB 3.87Å; Y163-F361 VanDerWaalsContact O-CA 3.25Å; Y163-F361 WeakPolarHBondContact O-CA 3.27Å; R164-F361 HydrophobicContact CB-CD1 3.85Å; R164-F361 HydrophobicContact CB-CE1 3.75Å; R164-F361 HydrophobicContact CG-CD1 3.98Å; R164-F361 HydrophobicContact CG-CE1 3.64Å; R164-F361 HydrophobicContact CG-CZ 4.21Å; T323-F361 VanDerWaalsContact CA-O 3.3Å; T323-F361 WeakPolarHBondContact CA-O 3.29Å; T323-F361 WeakPolarHBondContact CG2-O 3.46Å; S324-F361 PolarHBondContact N-O 2.87Å; S324-F361 PolarHBondContact O-N 3.2Å; L327-F361 HydrophobicContact CD1-CD1 4.31Å; L327-F361 HydrophobicContact CD1-CE1 3.84Å; L327-F361 HydrophobicContact CD1-CZ 3.99Å; L327-F361 HydrophobicContact CD2-CB 4.15Å; L327-F361 HydrophobicContact CD2-CD1 3.68Å; L327-F361 HydrophobicContact CD2-CD2 4.18Å; L327-F361 HydrophobicContact CD2-CE1 4.07Å; L327-F361 HydrophobicContact CD2-CG 3.73Å; L327-F361 HydrophobicContact CD2-CZ 4.49Å; L327-F361 HydrophobicContact CG-CD1 3.99Å; L327-F361 HydrophobicContact CG-CD2 4.06Å; L327-F361 HydrophobicContact CG-CE1 3.89Å; L327-F361 HydrophobicContact CG-CE2 3.99Å; L327-F361 HydrophobicContact CG-CG 4.06Å; L327-F361 HydrophobicContact CG-CZ 3.89Å; F335-F361 AromaticContact CE2-CD1 3.78Å; F335-F361 HydrophobicContact CE2-CD1 3.78Å; F335-F361 AromaticContact CE2-CE1 3.95Å; F335-F361 HydrophobicContact CE2-CE1 3.95Å; F335-F361 HydrophobicContact CZ-CE1 4.27Å; L348-F361 HydrophobicContact CD2-CE1 4.35Å; Q359-F361 HydrophobicContact CG-CE2 4.5Å; Q359-F361 WeakPolarHBondContact O-CE2 3.41Å
362	S	98	Very high	97.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	174.9	179.3	-166.6	0	0	0	0	110.5	I162 Y163 T323 M367	I162-S362 WeakPolarHBondContact CA-O 3.37Å; Y163-S362 PolarHBondContact N-O 3.38Å; Y163-S362 PolarHBondContact O-N 3.48Å; T323-S362 WeakPolarHBondContact OG1-CB 3.26Å; T323-S362 PolarHBondContact OG1-OG 3.2Å; S362-M367 WeakPolarHBondContact OG-CG 3.33Å
363	T	97.9	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.			trans	-110.2	157	174.3	65	0	0	0	0	110.2	E159 Y160 I162 D322 A365 D366 M367	E159-T363 WeakPolarHBondContact O-CB 3.26Å; Y160-T363 WeakPolarHBondContact O-CG2 3.04Å; I162-T363 HydrophobicContact CG1-CG2 3.59Å; D322-T363 HydrophobicContact CB-CG2 3.5Å; D322-T363 VanDerWaalsContact CB-CG2 3.5Å; T363-A365 PolarHBondContact O-N 3.01Å; T363-D366 PolarHBondContact O-N 3.22Å; T363-D366 WeakPolarHBondContact OG1-CB 3.47Å; T363-D366 PolarHBondContact OG1-N 3.42Å; T363-D366 VanDerWaalsContact OG1-N 3.07Å; T363-M367 WeakPolarHBondContact O-CG 3.45Å; T363-M367 PolarHBondContact O-N 3.09Å; T363-M367 VanDerWaalsContact O-N 3.1Å
364	P	98.3	Very high	97.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-53.1	-41.4	169.3	-24.5	31.6	0	0	0	112.4	I131 E159 T161 Y163 M367 A368 L448	I131-P364 VanDerWaalsContact CD1-C 3.5Å; I131-P364 HydrophobicContact CD1-CB 3.63Å; I131-P364 HydrophobicContact CG1-CB 3.82Å; E159-P364 WeakPolarHBondContact O-CD 3.38Å; T161-P364 WeakPolarHBondContact O-CD 3.48Å; Y163-P364 HydrophobicContact CE2-CG 4.36Å; P364-M367 PolarHBondContact O-N 2.96Å; P364-A368 WeakPolarHBondContact O-CB 3.18Å; P364-A368 PolarHBondContact O-N 3.18Å; P364-L448 HydrophobicContact CG-CD1 4.06Å; P364-L448 HydrophobicContact CG-CG 4.39Å
365	A	97.8	Very high	97.5	Very high	16 Å²	16	7.6 Å²	7.6	13%	0.132	4%	0.039	C	C	.	.	H	α-helix	trans	-63	-43.7	-179.4	0	0	0	0	0	113	E159 Y160 T363 A368 K369	E159-A365 HydrophobicContact CB-CB 4.47Å; E159-A365 VanDerWaalsContact O-CB 3.32Å; E159-A365 WeakPolarHBondContact O-CB 3.13Å; E159-A365 PolarHBondContact O-N 3Å; Y160-A365 HydrophobicContact CD1-CB 4.01Å; Y160-A365 HydrophobicContact CE1-CB 3.88Å; T363-A365 PolarHBondContact O-N 3.01Å; A365-A368 WeakPolarHBondContact O-CB 3.34Å; A365-A368 PolarHBondContact O-N 3.14Å; A365-K369 PolarHBondContact O-N 3.26Å
366	D	97.8	Very high	97.3	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-68.3	-42.6	177.1	-86.2	-1.8	0	0	0	112.2	M320 E321 D322 T323 T363 A368 K369 L370	M320-D366 VanDerWaalsContact CA-CG 3.43Å; M320-D366 WeakPolarHBondContact CA-OD1 3.23Å; M320-D366 VanDerWaalsContact CA-OD2 3.22Å; M320-D366 WeakPolarHBondContact CA-OD2 3.45Å; M320-D366 HydrophobicContact CB-CB 4.12Å; M320-D366 HydrophobicContact CE-CB 3.99Å; M320-D366 WeakPolarHBondContact CE-O 3.35Å; M320-D366 HydrophobicContact CG-CB 4.1Å; E321-D366 PolarHBondContact N-OD2 3.36Å; D322-D366 WeakPolarHBondContact CA-OD2 3.49Å; D322-D366 PolarHBondContact N-OD2 3.17Å; T323-D366 PolarHBondContact N-OD2 3.11Å; T323-D366 VanDerWaalsContact OG1-CB 3.26Å; T323-D366 WeakPolarHBondContact OG1-CB 3.24Å; T323-D366 PolarHBondContact OG1-OD2 3.08Å; T363-D366 PolarHBondContact O-N 3.22Å; T363-D366 WeakPolarHBondContact OG1-CB 3.47Å; T363-D366 PolarHBondContact OG1-N 3.42Å; T363-D366 VanDerWaalsContact OG1-N 3.07Å; D366-A368 PolarHBondContact O-N 3.31Å; D366-K369 WeakPolarHBondContact O-CB 3.38Å; D366-K369 PolarHBondContact O-N 3.33Å; D366-K369 VanDerWaalsContact O-N 3.11Å; D366-K369 IonicContact OD1-NZ 3.75Å; D366-K369 PolarHBondContact OD1-NZ 3.46Å; D366-L370 PolarHBondContact O-N 3.3Å
367	M	98.6	Very high	96.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.7	-29.9	174.9	-66.8	-56.4	-58.5	0	0	111.8	I165 L168 M320 S362 T363 P364 L370 A371 F435 V446	I165-M367 HydrophobicContact CD1-SD 4.02Å; L168-M367 HydrophobicContact CD1-CE 4.16Å; M320-M367 HydrophobicContact CE-SD 4.28Å; S362-M367 WeakPolarHBondContact OG-CG 3.33Å; T363-M367 WeakPolarHBondContact O-CG 3.45Å; T363-M367 PolarHBondContact O-N 3.09Å; T363-M367 VanDerWaalsContact O-N 3.1Å; P364-M367 PolarHBondContact O-N 2.96Å; M367-L370 HydrophobicContact CE-CD2 3.91Å; M367-L370 PolarHBondContact O-N 2.89Å; M367-L370 HydrophobicContact SD-CD2 4.49Å; M367-A371 PolarHBondContact O-N 3.26Å; M367-F435 HydrophobicContact CB-CD2 4.49Å; M367-F435 HydrophobicContact CE-CD2 3.38Å; M367-F435 HydrophobicContact CE-CE2 3.74Å; M367-F435 HydrophobicContact CE-CG 4.3Å; M367-F435 WeakPolarHBondContact O-CE2 3.4Å; M367-V446 HydrophobicContact CB-CB 4.5Å; M367-V446 HydrophobicContact CB-CG1 3.71Å; M367-V446 HydrophobicContact CB-CG2 4.09Å; M367-V446 HydrophobicContact CG-CG1 4.41Å
368	A	98.1	Very high	96.2	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.017	7%	0.074	C	C	.	.	H	α-helix	trans	-64.8	-39.6	172.5	0	0	0	0	0	112.2	I131 I133 P364 A365 D366 L370 A371 M372	I131-A368 HydrophobicContact CD1-CB 4.22Å; I131-A368 HydrophobicContact CG2-CB 4.06Å; I133-A368 HydrophobicContact CD1-CB 4.1Å; I133-A368 HydrophobicContact CG1-CB 3.98Å; P364-A368 WeakPolarHBondContact O-CB 3.18Å; P364-A368 PolarHBondContact O-N 3.18Å; A365-A368 WeakPolarHBondContact O-CB 3.34Å; A365-A368 PolarHBondContact O-N 3.14Å; D366-A368 PolarHBondContact O-N 3.31Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 3.36Å; A368-A371 WeakPolarHBondContact O-CB 3.4Å; A368-A371 PolarHBondContact O-N 3.5Å; A368-A371 VanDerWaalsContact O-N 3.15Å; A368-M372 WeakPolarHBondContact O-CG 3.44Å; A368-M372 PolarHBondContact O-N 2.65Å
369	K	97.8	Very high	95.5	Very high	55 Å²	55	17.7 Å²	17.7	24%	0.239	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-46.1	172.7	-60.5	168.2	-171.8	157.7	0	110.4	G319 M320 A365 D366 A371 M372 V373 Y378	G319-K369 PolarHBondContact O-NZ 3.04Å; M320-K369 HydrophobicContact CG-CD 4.4Å; A365-K369 PolarHBondContact O-N 3.26Å; D366-K369 WeakPolarHBondContact O-CB 3.38Å; D366-K369 PolarHBondContact O-N 3.33Å; D366-K369 VanDerWaalsContact O-N 3.11Å; D366-K369 IonicContact OD1-NZ 3.75Å; D366-K369 PolarHBondContact OD1-NZ 3.46Å; K369-A371 VanDerWaalsContact C-N 3.32Å; K369-A371 PolarHBondContact O-N 2.87Å; K369-M372 PolarHBondContact O-N 2.78Å; K369-V373 VanDerWaalsContact O-CG2 3.3Å; K369-V373 WeakPolarHBondContact O-CG2 3.35Å; K369-V373 PolarHBondContact O-N 3.26Å; K369-Y378 HydrophobicContact CB-CE2 4.4Å; K369-Y378 HydrophobicContact CG-CE2 4.4Å
370	L	98.1	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-39.1	176	-179.6	59.3	0	0	0	112.3	I171 F172 L175 L318 M320 D366 M367 A368 V373 L374 F435	I171-L370 HydrophobicContact CG2-CD2 4.08Å; F172-L370 HydrophobicContact CZ-CD2 4.09Å; L175-L370 HydrophobicContact CD1-CD1 3.88Å; L318-L370 HydrophobicContact CD1-CD1 4.16Å; M320-L370 HydrophobicContact CE-CB 4.2Å; M320-L370 HydrophobicContact SD-CB 4.21Å; D366-L370 PolarHBondContact O-N 3.3Å; M367-L370 HydrophobicContact CE-CD2 3.91Å; M367-L370 PolarHBondContact O-N 2.89Å; M367-L370 HydrophobicContact SD-CD2 4.49Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 3.36Å; L370-V373 PolarHBondContact O-N 3.15Å; L370-L374 HydrophobicContact CD1-CD1 4.25Å; L370-L374 HydrophobicContact CD1-CG 4.22Å; L370-L374 HydrophobicContact CG-CD1 4.22Å; L370-L374 WeakPolarHBondContact O-CG 3.33Å; L370-L374 PolarHBondContact O-N 3.3Å; L370-F435 HydrophobicContact CB-CE2 4.37Å; L370-F435 HydrophobicContact CD2-CE2 4.38Å; L370-F435 HydrophobicContact CG-CE2 4.28Å; L370-F435 HydrophobicContact CG-CZ 4.2Å
371	A	98.2	Very high	94.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-46.9	174.4	0	0	0	0	0	112	I133 M367 A368 K369 V373 L374 L375 F435 L437	I133-A371 HydrophobicContact CD1-CB 4.11Å; I133-A371 HydrophobicContact CG1-CB 4.47Å; M367-A371 PolarHBondContact O-N 3.26Å; A368-A371 WeakPolarHBondContact O-CB 3.4Å; A368-A371 PolarHBondContact O-N 3.5Å; A368-A371 VanDerWaalsContact O-N 3.15Å; K369-A371 VanDerWaalsContact C-N 3.32Å; K369-A371 PolarHBondContact O-N 2.87Å; A371-V373 VanDerWaalsContact C-N 3.29Å; A371-V373 PolarHBondContact O-N 3.41Å; A371-L374 CarbonylContact O-C 3.58Å; A371-L374 PolarHBondContact O-N 3.06Å; A371-L375 WeakPolarHBondContact O-CB 3.41Å; A371-L375 VanDerWaalsContact O-CG 3.23Å; A371-L375 WeakPolarHBondContact O-CG 3.33Å; A371-L375 PolarHBondContact O-N 2.94Å; A371-F435 HydrophobicContact CB-CE2 3.89Å; A371-F435 HydrophobicContact CB-CZ 3.72Å; A371-L437 HydrophobicContact CB-CD2 3.96Å
372	M	96.9	Very high	94.2	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.069	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-38.5	177.3	-63.9	168.9	-172.3	0	0	112	I133 V138 A368 K369 L375 G376 A377 Y378	I133-M372 HydrophobicContact CG1-CE 4.47Å; I133-M372 HydrophobicContact CG2-CE 3.94Å; I133-M372 HydrophobicContact CG2-CG 3.62Å; V138-M372 HydrophobicContact CG2-CE 3.63Å; A368-M372 WeakPolarHBondContact O-CG 3.44Å; A368-M372 PolarHBondContact O-N 2.65Å; K369-M372 PolarHBondContact O-N 2.78Å; M372-L375 PolarHBondContact O-N 2.75Å; M372-G376 PolarHBondContact O-N 2.94Å; M372-A377 PolarHBondContact O-N 2.68Å; M372-Y378 HydrophobicContact CB-CD2 3.81Å; M372-Y378 HydrophobicContact CB-CG 4.17Å; M372-Y378 PolarHBondContact O-N 3.29Å; M372-Y378 HydrophobicContact SD-CD2 3.9Å; M372-Y378 HydrophobicContact SD-CE2 4.15Å
373	V	96.3	Very high	94.1	Very high	11 Å²	11	30.9 Å²	30.9	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-48.6	175.1	171.9	0	0	0	0	110.4	L318 K369 L370 A371 L375 G376 Y378 L382	L318-V373 HydrophobicContact CD1-CG2 4.01Å; L318-V373 HydrophobicContact CD2-CG2 3.53Å; L318-V373 HydrophobicContact CG-CG2 4.37Å; K369-V373 VanDerWaalsContact O-CG2 3.3Å; K369-V373 WeakPolarHBondContact O-CG2 3.35Å; K369-V373 PolarHBondContact O-N 3.26Å; L370-V373 PolarHBondContact O-N 3.15Å; A371-V373 VanDerWaalsContact C-N 3.29Å; A371-V373 PolarHBondContact O-N 3.41Å; V373-L375 PolarHBondContact O-N 3.5Å; V373-G376 WeakPolarHBondContact O-CA 3.34Å; V373-G376 PolarHBondContact O-N 2.92Å; V373-Y378 HydrophobicContact CG2-CD1 3.37Å; V373-Y378 HydrophobicContact CG2-CE1 4.24Å; V373-Y378 HydrophobicContact CG2-CG 3.75Å; V373-L382 HydrophobicContact CG1-CB 3.67Å
374	L	96.9	Very high	94	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-70.2	-19.4	179.9	-69.3	178.4	0	0	0	113.1	I171 L175 L370 A371 G376 L388 M391 L392 W411 F435 L437	I171-L374 HydrophobicContact CG2-CD1 4.45Å; L175-L374 HydrophobicContact CD2-CD2 4.13Å; L370-L374 HydrophobicContact CD1-CD1 4.25Å; L370-L374 HydrophobicContact CD1-CG 4.22Å; L370-L374 HydrophobicContact CG-CD1 4.22Å; L370-L374 WeakPolarHBondContact O-CG 3.33Å; L370-L374 PolarHBondContact O-N 3.3Å; A371-L374 CarbonylContact O-C 3.58Å; A371-L374 PolarHBondContact O-N 3.06Å; L374-G376 VanDerWaalsContact C-N 3.25Å; L374-L388 HydrophobicContact CB-CD1 4.44Å; L374-L388 HydrophobicContact CD2-CD1 3.62Å; L374-L388 WeakPolarHBondContact O-CD2 3.24Å; L374-M391 HydrophobicContact CD2-CE 4.21Å; L374-M391 HydrophobicContact CD2-SD 4.26Å; L374-L392 WeakPolarHBondContact O-CD1 3.5Å; L374-W411 HydrophobicContact CD1-CH2 3.69Å; L374-W411 HydrophobicContact CD1-CZ2 3.92Å; L374-F435 HydrophobicContact CD1-CE1 3.83Å; L374-F435 HydrophobicContact CD1-CZ 3.87Å; L374-L437 HydrophobicContact CB-CD1 3.72Å; L374-L437 HydrophobicContact CD1-CD1 4.25Å
375	L	95.5	Very high	93.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4	169.1	-67.1	171.4	0	0	0	112.5	I133 A371 M372 V373 A377 L437 K442	I133-L375 HydrophobicContact CG2-CD1 4.4Å; A371-L375 WeakPolarHBondContact O-CB 3.41Å; A371-L375 VanDerWaalsContact O-CG 3.23Å; A371-L375 WeakPolarHBondContact O-CG 3.33Å; A371-L375 PolarHBondContact O-N 2.94Å; M372-L375 PolarHBondContact O-N 2.75Å; V373-L375 PolarHBondContact O-N 3.5Å; L375-A377 VanDerWaalsContact C-N 3.26Å; L375-A377 HydrophobicContact CB-CB 4.5Å; L375-A377 PolarHBondContact O-N 2.52Å; L375-L437 HydrophobicContact CD1-CD2 4.31Å; L375-L437 HydrophobicContact CD2-CB 4.3Å; L375-L437 HydrophobicContact CD2-CD2 4.09Å; L375-L437 HydrophobicContact CG-CD2 4.05Å; L375-K442 HydrophobicContact CB-CD 4.49Å; L375-K442 WeakPolarHBondContact CD1-O 3.46Å; L375-K442 WeakPolarHBondContact O-CD 3.5Å; L375-K442 PolarHBondContact O-NZ 3.31Å
376	G	92.3	Very high	93.6	Very high	55 Å²	55	43.5 Å²	43.5	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	22.9	-177.5	0	0	0	0	0	113.4	M372 V373 L374	M372-G376 PolarHBondContact O-N 2.94Å; V373-G376 WeakPolarHBondContact O-CA 3.34Å; V373-G376 PolarHBondContact O-N 2.92Å; L374-G376 VanDerWaalsContact C-N 3.25Å
377	A	86.3	Confident	93.5	Very high	19 Å²	19	44.1 Å²	44.1	16%	0.157	23%	0.227	C	C	.	.			trans	-109.2	-18.4	-173.3	0	0	0	0	0	113.3	N135 D136 M372 L375	N135-A377 HydrophobicContact CB-CB 4.34Å; N135-A377 WeakPolarHBondContact O-CB 3.38Å; N135-A377 WeakPolarHBondContact OD1-CB 3.48Å; D136-A377 HydrophobicContact CB-CB 4.1Å; D136-A377 WeakPolarHBondContact CB-O 3.39Å; M372-A377 PolarHBondContact O-N 2.68Å; L375-A377 VanDerWaalsContact C-N 3.26Å; L375-A377 HydrophobicContact CB-CB 4.5Å; L375-A377 PolarHBondContact O-N 2.52Å
378	Y	85.9	Confident	93.3	Very high	39 Å²	39	44.9 Å²	44.9	15%	0.153	23%	0.231	C	C	.	.	S	Bend	trans	-74.5	143.5	-178.8	-157	-124.6	0	0	0	112.2	L318 K369 M372 V373 R380	L318-Y378 HydrophobicContact CD2-CD1 4.4Å; L318-Y378 HydrophobicContact CD2-CE1 4.42Å; L318-Y378 PolarHBondContact O-OH 3.34Å; K369-Y378 HydrophobicContact CB-CE2 4.4Å; K369-Y378 HydrophobicContact CG-CE2 4.4Å; M372-Y378 HydrophobicContact CB-CD2 3.81Å; M372-Y378 HydrophobicContact CB-CG 4.17Å; M372-Y378 PolarHBondContact O-N 3.29Å; M372-Y378 HydrophobicContact SD-CD2 3.9Å; M372-Y378 HydrophobicContact SD-CE2 4.15Å; V373-Y378 HydrophobicContact CG2-CD1 3.37Å; V373-Y378 HydrophobicContact CG2-CE1 4.24Å; V373-Y378 HydrophobicContact CG2-CG 3.75Å; Y378-R380 HydrophobicContact CD1-CB 3.79Å; Y378-R380 HydrophobicContact CD1-CG 4.34Å; Y378-R380 HydrophobicContact CE1-CB 3.89Å; Y378-R380 HydrophobicContact CE1-CG 4.06Å; Y378-R380 PolarHBondContact O-N 3.28Å
379	H	82.1	Confident	93.1	Very high	140 Å²	140	51.1 Å²	51.1	65%	0.648	26%	0.258	S	S	*	.	S	Bend	trans	-62.8	-31.6	179.3	61.4	-63.3	0	0	0	112.7
380	R	84.9	Confident	93.1	Very high	112 Å²	112	51.4 Å²	51.4	42%	0.423	26%	0.262	S	S	.	.	S	Bend	trans	-91.4	104.8	174.6	-52.8	-167.7	-178	177.2	0.5	109.8	R317 L318 Y378	R317-R380 WeakPolarHBondContact O-CD 3.43Å; R317-R380 PolarHBondContact O-NH1 3.26Å; L318-R380 HydrophobicContact CD2-CB 4.25Å; Y378-R380 HydrophobicContact CD1-CB 3.79Å; Y378-R380 HydrophobicContact CD1-CG 4.34Å; Y378-R380 HydrophobicContact CE1-CB 3.89Å; Y378-R380 HydrophobicContact CE1-CG 4.06Å; Y378-R380 PolarHBondContact O-N 3.28Å
381	K	87.2	Confident	93	Very high	152 Å²	152	51.4 Å²	51.4	66%	0.661	26%	0.262	S	S	*	.			trans	-73.6	140.7	174.8	-62.3	-177.4	-179	-179.7	0	110.8
382	L	93.3	Very high	92.9	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.073	27%	0.266	C	S	.	.	S	Bend	trans	-107.9	-44.3	172.9	-176	63.2	0	0	0	112.1	L175 I314 L318 V373	L175-L382 HydrophobicContact CB-CD2 4.49Å; L175-L382 HydrophobicContact CD1-CD2 3.94Å; L175-L382 HydrophobicContact CD2-CD2 3.72Å; L175-L382 HydrophobicContact CG-CD2 4.27Å; I314-L382 HydrophobicContact CG1-CD1 4.39Å; I314-L382 HydrophobicContact CG1-CD2 4.44Å; I314-L382 HydrophobicContact CG2-CD2 4.17Å; L318-L382 HydrophobicContact CD1-CD2 4.36Å; V373-L382 HydrophobicContact CG1-CB 3.67Å
383	L	95.6	Very high	92.9	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	29%	0.286	C	S	.	.	S	Bend	trans	-122.4	157.5	175.2	-58.9	176.2	0	0	0	109.3	L175 K179 E182 M391	L175-L383 HydrophobicContact CD2-CD1 4.19Å; K179-L383 HydrophobicContact CB-CD2 4.11Å; K179-L383 HydrophobicContact CD-CD2 4.11Å; E182-L383 WeakPolarHBondContact OE2-CA 3.26Å; E182-L383 VanDerWaalsContact OE2-CD2 3.25Å; E182-L383 WeakPolarHBondContact OE2-CD2 3.45Å; L383-M391 HydrophobicContact CD1-SD 3.88Å
384	E	95.3	Very high	92.8	Very high	112 Å²	112	56.1 Å²	56.1	52%	0.523	29%	0.287	S	S	.	.			trans	-67.2	152	170	-70.7	-57.2	142.9	0	0	111.3	E182 D386 S387 L388	E182-E384 WeakPolarHBondContact OE1-CB 3.49Å; E182-E384 PolarHBondContact OE1-N 3.24Å; E384-D386 PolarHBondContact O-N 3.08Å; E384-D386 VanDerWaalsContact O-N 3.14Å; E384-S387 PolarHBondContact O-N 3.28Å; E384-L388 PolarHBondContact O-N 3.38Å
385	P	93.6	Very high	92.6	Very high	65 Å²	65	59 Å²	59	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-54.9	-35.9	-175.3	-28.3	35.7	0	0	0	114.5	K389	P385-K389 WeakPolarHBondContact O-CG 3.18Å; P385-K389 PolarHBondContact O-N 2.88Å; P385-K389 VanDerWaalsContact O-N 3.09Å
386	D	94.1	Very high	92.5	Very high	103 Å²	103	62.2 Å²	62.2	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-76.1	-39.7	-178.9	-69.5	-24.3	0	0	0	112.3	E384 L388 K389 I390	E384-D386 PolarHBondContact O-N 3.08Å; E384-D386 VanDerWaalsContact O-N 3.14Å; D386-L388 VanDerWaalsContact C-N 3.29Å; D386-L388 PolarHBondContact O-N 2.87Å; D386-K389 WeakPolarHBondContact O-CB 3.42Å; D386-K389 PolarHBondContact O-N 2.91Å; D386-K389 IonicContact OD1-NZ 2.71Å; D386-K389 PolarHBondContact OD1-NZ 3.19Å; D386-I390 WeakPolarHBondContact O-CG1 3.46Å; D386-I390 PolarHBondContact O-N 3.05Å
387	S	95.6	Very high	92.7	Very high	14 Å²	14	69.2 Å²	69.2	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-38.2	172.3	-52.2	0	0	0	0	111.9	E182 E384 I390 M391	E182-S387 WeakPolarHBondContact CG-OG 3.5Å; E182-S387 WeakPolarHBondContact OE1-CB 3.43Å; E182-S387 PolarHBondContact OE1-OG 3.19Å; E384-S387 PolarHBondContact O-N 3.28Å; S387-I390 PolarHBondContact O-N 3.27Å; S387-M391 PolarHBondContact O-N 3.04Å
388	L	95.4	Very high	92.9	Very high	17 Å²	17	69 Å²	69	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-44.4	174.7	-177.9	61.8	0	0	0	111.2	L374 E384 D386 I390 M391 L392	L374-L388 HydrophobicContact CB-CD1 4.44Å; L374-L388 HydrophobicContact CD2-CD1 3.62Å; L374-L388 WeakPolarHBondContact O-CD2 3.24Å; E384-L388 PolarHBondContact O-N 3.38Å; D386-L388 VanDerWaalsContact C-N 3.29Å; D386-L388 PolarHBondContact O-N 2.87Å; L388-I390 VanDerWaalsContact C-N 3.29Å; L388-I390 PolarHBondContact O-N 3.3Å; L388-M391 PolarHBondContact O-N 3.05Å; L388-L392 HydrophobicContact CD1-CD1 4.09Å; L388-L392 HydrophobicContact CD1-CG 4.15Å; L388-L392 HydrophobicContact CG-CD1 4.05Å; L388-L392 HydrophobicContact CG-CG 4.45Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.9Å
389	K	94.5	Very high	93.1	Very high	132 Å²	132	71.4 Å²	71.4	57%	0.574	34%	0.338	S	S	*	.	H	α-helix	trans	-57.5	-42.8	172.9	-69.4	167.9	-163.6	159.9	0	111.5	P385 D386 L392 N393	P385-K389 WeakPolarHBondContact O-CG 3.18Å; P385-K389 PolarHBondContact O-N 2.88Å; P385-K389 VanDerWaalsContact O-N 3.09Å; D386-K389 WeakPolarHBondContact O-CB 3.42Å; D386-K389 PolarHBondContact O-N 2.91Å; D386-K389 IonicContact OD1-NZ 2.71Å; D386-K389 PolarHBondContact OD1-NZ 3.19Å; K389-L392 PolarHBondContact O-N 3.2Å; K389-N393 WeakPolarHBondContact O-CB 3.48Å; K389-N393 PolarHBondContact O-N 3.38Å; K389-N393 VanDerWaalsContact O-N 3.07Å
390	I	96.1	Very high	93.4	Very high	62 Å²	62	74.7 Å²	74.7	32%	0.318	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.9	-63.6	166.4	0	0	0	111.1	Y178 W181 L189 D386 S387 L388 N393	Y178-I390 HydrophobicContact CE1-CB 4.24Å; Y178-I390 HydrophobicContact CE1-CG2 3.88Å; W181-I390 HydrophobicContact CH2-CD1 3.65Å; W181-I390 HydrophobicContact CZ3-CD1 4.03Å; L189-I390 HydrophobicContact CD1-CG2 4.33Å; D386-I390 WeakPolarHBondContact O-CG1 3.46Å; D386-I390 PolarHBondContact O-N 3.05Å; S387-I390 PolarHBondContact O-N 3.27Å; L388-I390 VanDerWaalsContact C-N 3.29Å; L388-I390 PolarHBondContact O-N 3.3Å; I390-N393 PolarHBondContact O-N 2.84Å
391	M	97	Very high	93.5	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-37.1	178.2	-175.8	-178.1	163.5	0	0	112.7	T174 L175 Y178 L374 L383 S387 L388 N393 T409 W411	T174-M391 HydrophobicContact CG2-CE 3.82Å; T174-M391 HydrophobicContact CG2-CG 4.24Å; T174-M391 HydrophobicContact CG2-SD 4.39Å; L175-M391 HydrophobicContact CD2-CE 3.81Å; L175-M391 HydrophobicContact CD2-SD 3.81Å; L175-M391 HydrophobicContact CG-CE 4.11Å; Y178-M391 HydrophobicContact CD1-CB 3.79Å; Y178-M391 HydrophobicContact CD1-CG 4.39Å; Y178-M391 HydrophobicContact CD2-CB 4.43Å; Y178-M391 HydrophobicContact CD2-CG 4.18Å; Y178-M391 VanDerWaalsContact CE1-CA 3.48Å; Y178-M391 HydrophobicContact CE1-CB 3.56Å; Y178-M391 HydrophobicContact CE1-CG 4.28Å; Y178-M391 HydrophobicContact CE2-CB 4.25Å; Y178-M391 HydrophobicContact CE2-CG 4.08Å; Y178-M391 HydrophobicContact CG-CB 4.22Å; Y178-M391 HydrophobicContact CG-CG 4.34Å; Y178-M391 HydrophobicContact CG-SD 4.5Å; L374-M391 HydrophobicContact CD2-CE 4.21Å; L374-M391 HydrophobicContact CD2-SD 4.26Å; L383-M391 HydrophobicContact CD1-SD 3.88Å; S387-M391 PolarHBondContact O-N 3.04Å; L388-M391 PolarHBondContact O-N 3.05Å; M391-N393 VanDerWaalsContact C-N 3.35Å; M391-T409 PolarHBondContact O-OG1 2.96Å; M391-T409 VanDerWaalsContact O-OG1 3.07Å; M391-W411 HydrophobicContact CE-CZ2 4.02Å; M391-W411 VanDerWaalsContact O-CD1 3.23Å; M391-W411 PolarHBondContact O-NE1 2.66Å
392	L	96.9	Very high	93.7	Very high	19 Å²	19	71.1 Å²	71.1	10%	0.099	35%	0.345	C	S	.	.	H	α-helix	trans	-82.5	-12.7	-179.5	-63.4	179.6	0	0	0	113	L374 L388 K389 W411 L422 L437 P439	L374-L392 WeakPolarHBondContact O-CD1 3.5Å; L388-L392 HydrophobicContact CD1-CD1 4.09Å; L388-L392 HydrophobicContact CD1-CG 4.15Å; L388-L392 HydrophobicContact CG-CD1 4.05Å; L388-L392 HydrophobicContact CG-CG 4.45Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.9Å; K389-L392 PolarHBondContact O-N 3.2Å; L392-W411 HydrophobicContact CD2-CZ2 3.69Å; L392-L422 HydrophobicContact CB-CD2 3.7Å; L392-L422 HydrophobicContact CD2-CD2 3.62Å; L392-L422 HydrophobicContact CG-CD2 4.16Å; L392-L422 VanDerWaalsContact O-CD2 3.31Å; L392-L422 WeakPolarHBondContact O-CD2 3.21Å; L392-L437 HydrophobicContact CD2-CD1 4.28Å; L392-P439 HydrophobicContact CD1-CB 4.37Å; L392-P439 HydrophobicContact CD1-CG 4.18Å
393	N	95.3	Very high	93.5	Very high	89 Å²	89	75.5 Å²	75.5	48%	0.476	36%	0.364	S	S	.	.	S	Bend	trans	-71.1	128.8	-177	-168.7	55.8	0	0	0	111.7	K389 I390 M391	K389-N393 WeakPolarHBondContact O-CB 3.48Å; K389-N393 PolarHBondContact O-N 3.38Å; K389-N393 VanDerWaalsContact O-N 3.07Å; I390-N393 PolarHBondContact O-N 2.84Å; M391-N393 VanDerWaalsContact C-N 3.35Å
394	P	94.6	Very high	93.5	Very high	15 Å²	15	75 Å²	75	10%	0.097	36%	0.361	C	S	.	.			trans	-62.1	140.4	169.9	-18.6	31.8	0	0	0	110.6	R406 V413	P394-R406 HydrophobicContact CB-CB 4.39Å; P394-V413 HydrophobicContact CB-CG1 4.37Å; P394-V413 HydrophobicContact CB-CG2 4.26Å; P394-V413 HydrophobicContact CG-CB 4.4Å; P394-V413 HydrophobicContact CG-CG1 3.86Å; P394-V413 HydrophobicContact CG-CG2 4.12Å
395	L	93.5	Very high	93.4	Very high	63 Å²	63	73.6 Å²	73.6	33%	0.33	36%	0.357	S	S	.	.			trans	-107.8	-36.8	-174.5	-62.8	-178.7	0	0	0	113.4	R239 L245 T407 T409	R239-L395 HydrophobicContact CG-CD1 3.9Å; L245-L395 HydrophobicContact CD1-CB 4.42Å; L395-T407 PolarHBondContact N-O 2.85Å; L395-T409 HydrophobicContact CD1-CG2 3.92Å
396	F	93.9	Very high	93.6	Very high	71 Å²	71	73.1 Å²	73.1	31%	0.311	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.2	-171.2	-164.3	-94.8	0	0	0	112.3	L245 G280 T281 R406 T407	L245-F396 HydrophobicContact CD1-CB 3.64Å; L245-F396 HydrophobicContact CD1-CG 4.28Å; L245-F396 HydrophobicContact CD2-CB 3.92Å; L245-F396 HydrophobicContact CD2-CD1 3.93Å; L245-F396 HydrophobicContact CD2-CG 3.94Å; L245-F396 HydrophobicContact CG-CB 4.4Å; G280-F396 WeakPolarHBondContact O-CE2 3.44Å; T281-F396 WeakPolarHBondContact O-CZ 3.45Å; F396-R406 CarbonylContact O-C 3.42Å; F396-R406 WeakPolarHBondContact O-CA 3.49Å; F396-R406 WeakPolarHBondContact O-CB 3.49Å; F396-T407 HydrophobicContact CB-CG2 4.06Å; F396-T407 PolarHBondContact N-O 3.22Å; F396-T407 PolarHBondContact O-N 3.34Å
397	R	94.6	Very high	93.7	Very high	202 Å²	202	68.2 Å²	68.2	76%	0.762	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.2	174.5	-174.2	177.7	-176.7	142.1	3.2	110.1	R406	R397-R406 HydrophobicContact CB-CG 4.35Å; R397-R406 HydrophobicContact CG-CG 4.48Å
398	C	92.1	Very high	93.7	Very high	13 Å²	13	67.5 Å²	67.5	9%	0.088	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-90.5	157.4	-176.1	-56.4	0	0	0	0	112.1	C283 Y402 A404 N405	C283-C398 HydrophobicContact CB-CB 3.77Å; C283-C398 WeakPolarHBondContact CB-SG 3.21Å; C283-C398 WeakPolarHBondContact SG-CA 3.48Å; C283-C398 WeakPolarHBondContact SG-CB 3.3Å; C283-C398 CovalentContact SG-SG 2.04Å; C283-C398 PolarHBondContact SG-SG 3.35Å; C398-Y402 HydrophobicContact CB-CD1 3.59Å; C398-Y402 HydrophobicContact CB-CE1 4.49Å; C398-Y402 HydrophobicContact CB-CG 3.9Å; C398-Y402 WeakPolarHBondContact SG-CD1 3.38Å; C398-A404 WeakPolarHBondContact CB-O 3.45Å; C398-N405 PolarHBondContact N-O 3.32Å
399	D	90.1	Very high	93.8	Very high	90 Å²	90	66.7 Å²	66.7	48%	0.481	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.9	160	170.1	-65.7	-34.3	0	0	0	111.3	D401 Y402	D399-D401 PolarHBondContact O-N 2.83Å; D399-D401 VanDerWaalsContact O-N 3.11Å; D399-Y402 WeakPolarHBondContact O-CB 3.42Å; D399-Y402 PolarHBondContact O-N 3.35Å
400	K	87.6	Confident	93.9	Very high	209 Å²	209	60.6 Å²	60.6	91%	0.909	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.1	-178.7	-66.6	-176.6	179.3	179.1	0	114.5	Y402	K400-Y402 VanDerWaalsContact C-N 3.29Å
401	D	86.5	Confident	94	Very high	159 Å²	159	57.6 Å²	57.6	85%	0.85	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.4	179.6	-59.5	-28.8	0	0	0	112.8	D399	D399-D401 PolarHBondContact O-N 2.83Å; D399-D401 VanDerWaalsContact O-N 3.11Å
402	Y	91.1	Very high	94	Very high	30 Å²	30	58.2 Å²	58.2	12%	0.118	27%	0.273	C	S	.	.	S	Bend	trans	-81.4	147.5	171.3	-164.6	-112.4	0	0	0	109.9	C283 C398 D399 K400 A404	C283-Y402 HydrophobicContact CB-CD1 3.99Å; C283-Y402 HydrophobicContact CB-CD2 3.78Å; C283-Y402 HydrophobicContact CB-CE1 4.09Å; C283-Y402 HydrophobicContact CB-CE2 3.88Å; C283-Y402 HydrophobicContact CB-CG 3.83Å; C398-Y402 HydrophobicContact CB-CD1 3.59Å; C398-Y402 HydrophobicContact CB-CE1 4.49Å; C398-Y402 HydrophobicContact CB-CG 3.9Å; C398-Y402 WeakPolarHBondContact SG-CD1 3.38Å; D399-Y402 WeakPolarHBondContact O-CB 3.42Å; D399-Y402 PolarHBondContact O-N 3.35Å; K400-Y402 VanDerWaalsContact C-N 3.29Å; Y402-A404 HydrophobicContact CD1-CB 4.15Å; Y402-A404 WeakPolarHBondContact CD1-O 3.45Å; Y402-A404 HydrophobicContact CE1-CB 4.18Å; Y402-A404 PolarHBondContact O-N 3.36Å
403	F	90.8	Very high	94	Very high	107 Å²	107	57.3 Å²	57.3	47%	0.469	27%	0.269	S	S	.	.	S	Bend	trans	-73.5	3.1	-174.6	54.1	-103.1	0	0	0	114.2	Y285 E412	Y285-F403 AromaticContact CD2-CE1 3.92Å; Y285-F403 HydrophobicContact CD2-CE1 3.92Å; Y285-F403 AromaticContact CD2-CZ 3.78Å; Y285-F403 HydrophobicContact CD2-CZ 3.78Å; Y285-F403 HydrophobicContact CE2-CZ 4.47Å; Y285-F403 HydrophobicContact CG-CE1 4.42Å; F403-E412 HydrophobicContact CD2-CG 4.46Å; F403-E412 HydrophobicContact CE2-CB 4.08Å; F403-E412 VanDerWaalsContact CE2-CD 3.41Å; F403-E412 HydrophobicContact CE2-CG 3.61Å; F403-E412 WeakPolarHBondContact CE2-OE1 3.42Å; F403-E412 HydrophobicContact CZ-CG 4.44Å
404	A	94.2	Very high	94	Very high	3 Å²	3	55 Å²	55	3%	0.025	26%	0.256	C	S	.	.	S	Bend	trans	-144.4	154.7	176.1	0	0	0	0	0	111.2	C398 Y402 R406 E412 N414	C398-A404 WeakPolarHBondContact CB-O 3.45Å; Y402-A404 HydrophobicContact CD1-CB 4.15Å; Y402-A404 WeakPolarHBondContact CD1-O 3.45Å; Y402-A404 HydrophobicContact CE1-CB 4.18Å; Y402-A404 PolarHBondContact O-N 3.36Å; A404-R406 VanDerWaalsContact C-N 3.34Å; A404-E412 HydrophobicContact CB-CB 3.97Å; A404-N414 VanDerWaalsContact CA-OD1 3.32Å; A404-N414 WeakPolarHBondContact CA-OD1 3.36Å
405	N	94.4	Very high	93.9	Very high	82 Å²	82	58.7 Å²	58.7	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-68.9	-34.3	178.6	-71.1	-8.3	0	0	0	112.3	C398 V413 N414 D415	C398-N405 PolarHBondContact N-O 3.32Å; N405-V413 PolarHBondContact N-O 3.07Å; N405-N414 PolarHBondContact N-OD1 3.32Å; N405-D415 PolarHBondContact ND2-OD2 3.39Å
406	R	96.5	Very high	93.9	Very high	55 Å²	55	56.2 Å²	56.2	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.6	-177.2	-70.9	-178.4	-74.5	167	-2.9	110.9	P394 F396 R397 A404 V413 D415 E420	P394-R406 HydrophobicContact CB-CB 4.39Å; F396-R406 CarbonylContact O-C 3.42Å; F396-R406 WeakPolarHBondContact O-CA 3.49Å; F396-R406 WeakPolarHBondContact O-CB 3.49Å; R397-R406 HydrophobicContact CB-CG 4.35Å; R397-R406 HydrophobicContact CG-CG 4.48Å; A404-R406 VanDerWaalsContact C-N 3.34Å; R406-V413 HydrophobicContact CB-CB 3.9Å; R406-V413 HydrophobicContact CB-CG1 4.39Å; R406-V413 PolarHBondContact N-O 3.1Å; R406-V413 PolarHBondContact O-N 3.44Å; R406-D415 IonicContact NH2-OD1 3.99Å; R406-D415 PolarHBondContact NH2-OD1 3.25Å; R406-D415 VanDerWaalsContact NH2-OD1 3.1Å; R406-E420 IonicContact CZ-OE1 2.68Å; R406-E420 IonicContact NH1-OE1 2.79Å; R406-E420 PolarHBondContact NH1-OE1 2.87Å; R406-E420 IonicContact NH2-OE1 3.6Å; R406-E420 PolarHBondContact NH2-OE1 2.9Å
407	T	96.2	Very high	93.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.1	174.5	-165.8	0	0	0	0	111.2	S243 L245 L395 F396 W411	S243-T407 VanDerWaalsContact O-CG2 3.27Å; S243-T407 WeakPolarHBondContact O-CG2 3.43Å; S243-T407 PolarHBondContact O-OG1 3.12Å; L245-T407 HydrophobicContact CD1-CG2 4.08Å; L245-T407 HydrophobicContact CD2-CG2 3.81Å; L245-T407 HydrophobicContact CG-CG2 3.88Å; L395-T407 PolarHBondContact N-O 2.85Å; F396-T407 HydrophobicContact CB-CG2 4.06Å; F396-T407 PolarHBondContact N-O 3.22Å; F396-T407 PolarHBondContact O-N 3.34Å; T407-W411 CarbonylContact C-O 3.5Å; T407-W411 VanDerWaalsContact CA-O 3.29Å; T407-W411 WeakPolarHBondContact CA-O 3.4Å
408	G	96	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.			trans	-146.9	-160.8	174.7	0	0	0	0	0	110.2	S243 P410 W411	S243-G408 WeakPolarHBondContact CA-O 3.07Å; S243-G408 WeakPolarHBondContact CB-O 3.37Å; G408-P410 CarbonylContact O-C 3.59Å; G408-P410 VanDerWaalsContact O-C 3.29Å; G408-P410 VanDerWaalsContact O-CA 3.23Å; G408-P410 WeakPolarHBondContact O-CA 3.18Å; G408-W411 PolarHBondContact N-O 2.99Å; G408-W411 PolarHBondContact O-N 3.16Å; G408-W411 VanDerWaalsContact O-N 3.14Å
409	T	97.2	Very high	93.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-103.7	97.9	-176.9	50.3	0	0	0	0	112.7	T174 Y178 R239 A242 M391 L395 W411	T174-T409 WeakPolarHBondContact CG2-O 3.32Å; Y178-T409 HydrophobicContact CE2-CG2 4.31Å; Y178-T409 PolarHBondContact OH-OG1 2.9Å; R239-T409 HydrophobicContact CG-CG2 3.98Å; A242-T409 HydrophobicContact CB-CG2 3.82Å; A242-T409 WeakPolarHBondContact O-CA 3.31Å; M391-T409 PolarHBondContact O-OG1 2.96Å; M391-T409 VanDerWaalsContact O-OG1 3.07Å; L395-T409 HydrophobicContact CD1-CG2 3.92Å; T409-W411 PolarHBondContact O-NE1 3.08Å
410	P	96.9	Very high	94	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.019	24%	0.243	C	C	.	.	S	Bend	cis	-100.7	35.7	-10.2	40.7	-34.2	0	0	0	112.5	I171 A242 F290 G408 K424	I171-P410 HydrophobicContact CG1-CG 4.18Å; A242-P410 WeakPolarHBondContact O-CA 3.43Å; F290-P410 HydrophobicContact CE1-CB 3.59Å; F290-P410 HydrophobicContact CZ-CB 3.53Å; G408-P410 CarbonylContact O-C 3.59Å; G408-P410 VanDerWaalsContact O-C 3.29Å; G408-P410 VanDerWaalsContact O-CA 3.23Å; G408-P410 WeakPolarHBondContact O-CA 3.18Å; P410-K424 HydrophobicContact CG-CD 4.33Å; P410-K424 WeakPolarHBondContact O-CD 3.39Å
411	W	98.2	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.			trans	-75.2	139.5	-163.3	-51.7	112.8	0	0	0	114	I171 L374 M391 L392 T407 G408 T409 V413 L422 K424 F435 L437	I171-W411 HydrophobicContact CD1-CH2 4.39Å; I171-W411 HydrophobicContact CD1-CZ3 4.39Å; I171-W411 HydrophobicContact CG1-CH2 4.44Å; L374-W411 HydrophobicContact CD1-CH2 3.69Å; L374-W411 HydrophobicContact CD1-CZ2 3.92Å; M391-W411 HydrophobicContact CE-CZ2 4.02Å; M391-W411 VanDerWaalsContact O-CD1 3.23Å; M391-W411 PolarHBondContact O-NE1 2.66Å; L392-W411 HydrophobicContact CD2-CZ2 3.69Å; T407-W411 CarbonylContact C-O 3.5Å; T407-W411 VanDerWaalsContact CA-O 3.29Å; T407-W411 WeakPolarHBondContact CA-O 3.4Å; G408-W411 PolarHBondContact N-O 2.99Å; G408-W411 PolarHBondContact O-N 3.16Å; G408-W411 VanDerWaalsContact O-N 3.14Å; T409-W411 PolarHBondContact O-NE1 3.08Å; W411-V413 HydrophobicContact CB-CG2 3.73Å; W411-L422 HydrophobicContact CB-CB 4.25Å; W411-L422 HydrophobicContact CB-CG 4.29Å; W411-L422 HydrophobicContact CD2-CB 4.13Å; W411-L422 HydrophobicContact CD2-CD2 4.21Å; W411-L422 HydrophobicContact CE3-CB 4.17Å; W411-L422 HydrophobicContact CG-CB 4.15Å; W411-L422 HydrophobicContact CG-CD2 4.02Å; W411-L422 HydrophobicContact CG-CG 4.17Å; W411-K424 HydrophobicContact CE3-CB 4.49Å; W411-K424 HydrophobicContact CZ3-CB 4.4Å; W411-F435 HydrophobicContact CH2-CD1 4.18Å; W411-F435 AromaticContact CH2-CE1 3.96Å; W411-F435 HydrophobicContact CH2-CE1 3.96Å; W411-F435 AromaticContact CZ3-CD1 3.94Å; W411-F435 HydrophobicContact CZ3-CD1 3.94Å; W411-F435 HydrophobicContact CZ3-CE1 4.17Å; W411-L437 HydrophobicContact CH2-CD1 4.4Å
412	E	97.5	Very high	95.1	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.061	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.9	168.6	-44.5	171	160.9	0	0	105	F403 A404 R423 K424 D425	F403-E412 HydrophobicContact CD2-CG 4.46Å; F403-E412 HydrophobicContact CE2-CB 4.08Å; F403-E412 VanDerWaalsContact CE2-CD 3.41Å; F403-E412 HydrophobicContact CE2-CG 3.61Å; F403-E412 WeakPolarHBondContact CE2-OE1 3.42Å; F403-E412 HydrophobicContact CZ-CG 4.44Å; A404-E412 HydrophobicContact CB-CB 3.97Å; E412-R423 WeakPolarHBondContact CA-O 3.49Å; E412-R423 WeakPolarHBondContact CB-O 3.19Å; E412-R423 WeakPolarHBondContact CG-O 3.25Å; E412-R423 PolarHBondContact N-O 3.31Å; E412-R423 WeakPolarHBondContact O-CB 3Å; E412-R423 PolarHBondContact O-N 2.93Å; E412-K424 HydrophobicContact CG-CD 4.44Å; E412-K424 IonicContact OE1-NZ 3.29Å; E412-K424 PolarHBondContact OE1-NZ 3.02Å; E412-D425 PolarHBondContact OE2-N 2.94Å
413	V	97.3	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.8	-166	-177	0	0	0	0	110.2	P394 N405 R406 W411 E420 M421 L422	P394-V413 HydrophobicContact CB-CG1 4.37Å; P394-V413 HydrophobicContact CB-CG2 4.26Å; P394-V413 HydrophobicContact CG-CB 4.4Å; P394-V413 HydrophobicContact CG-CG1 3.86Å; P394-V413 HydrophobicContact CG-CG2 4.12Å; N405-V413 PolarHBondContact N-O 3.07Å; R406-V413 HydrophobicContact CB-CB 3.9Å; R406-V413 HydrophobicContact CB-CG1 4.39Å; R406-V413 PolarHBondContact N-O 3.1Å; R406-V413 PolarHBondContact O-N 3.44Å; W411-V413 HydrophobicContact CB-CG2 3.73Å; V413-E420 HydrophobicContact CG1-CB 4.36Å; V413-M421 WeakPolarHBondContact CA-O 3.18Å; V413-L422 HydrophobicContact CG2-CG 4.31Å
414	N	95.1	Very high	95.7	Very high	39 Å²	39	25.5 Å²	25.5	21%	0.209	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.1	177.8	-69.4	-44.3	0	0	0	110.6	A404 N405 M421	A404-N414 VanDerWaalsContact CA-OD1 3.32Å; A404-N414 WeakPolarHBondContact CA-OD1 3.36Å; N405-N414 PolarHBondContact N-OD1 3.32Å; N414-M421 HydrophobicContact CB-CE 4.1Å; N414-M421 PolarHBondContact N-O 2.9Å; N414-M421 VanDerWaalsContact N-O 3.11Å; N414-M421 PolarHBondContact O-N 3.36Å
415	D	93.1	Very high	95.9	Very high	94 Å²	94	26.8 Å²	26.8	50%	0.503	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.2	177.4	-53.3	-68.1	0	0	0	110.1	N405 R406 Y419	N405-D415 PolarHBondContact ND2-OD2 3.39Å; R406-D415 IonicContact NH2-OD1 3.99Å; R406-D415 PolarHBondContact NH2-OD1 3.25Å; R406-D415 VanDerWaalsContact NH2-OD1 3.1Å; D415-Y419 WeakPolarHBondContact CA-O 3.22Å
416	L	92.7	Very high	96	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.058	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	102.8	-176	174.4	72.3	0	0	0	108.7	G418 Y419 M421 V438 T461 Y464 V468	L416-G418 PolarHBondContact O-N 2.89Å; L416-G418 VanDerWaalsContact O-N 3.11Å; L416-Y419 PolarHBondContact N-O 3.3Å; L416-Y419 WeakPolarHBondContact O-CB 3.47Å; L416-Y419 PolarHBondContact O-N 3.44Å; L416-M421 HydrophobicContact CB-CB 4.05Å; L416-M421 HydrophobicContact CD2-CB 4.15Å; L416-M421 HydrophobicContact CD2-CG 4.44Å; L416-M421 HydrophobicContact CD2-SD 4.43Å; L416-V438 HydrophobicContact CD2-CG2 4.13Å; L416-T461 HydrophobicContact CD1-CG2 4.05Å; L416-Y464 HydrophobicContact CD2-CD1 4.38Å; L416-Y464 HydrophobicContact CD2-CD2 3.69Å; L416-Y464 HydrophobicContact CD2-CE2 4.47Å; L416-Y464 HydrophobicContact CD2-CG 3.63Å; L416-V468 HydrophobicContact CD2-CG2 4.45Å
417	M	92.1	Very high	96	Very high	89 Å²	89	24.5 Å²	24.5	44%	0.438	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	33.7	-179.2	-64.4	170.6	-79.9	0	0	113.3	Y419 Y464 V468 P469	M417-Y419 VanDerWaalsContact C-N 3.32Å; M417-Y464 WeakPolarHBondContact CE-O 3.47Å; M417-V468 HydrophobicContact CE-CB 3.57Å; M417-V468 HydrophobicContact CE-CG1 3.98Å; M417-V468 HydrophobicContact CE-CG2 3.8Å; M417-V468 HydrophobicContact SD-CB 4.33Å; M417-V468 HydrophobicContact SD-CG1 4.36Å; M417-P469 HydrophobicContact SD-CG 4.34Å
418	G	91.1	Very high	95.9	Very high	40 Å²	40	25.8 Å²	25.8	41%	0.412	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-6.7	-177	0	0	0	0	0	115	F92 L416	F92-G418 WeakPolarHBondContact CZ-O 3.2Å; L416-G418 PolarHBondContact O-N 2.89Å; L416-G418 VanDerWaalsContact O-N 3.11Å
419	Y	95.1	Very high	95.9	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	155.9	170.8	-65.6	-85.1	0	0	0	112.2	F92 D415 L416 M417 V438 R440 L441 V468 E472	F92-Y419 HydrophobicContact CB-CE1 3.98Å; F92-Y419 HydrophobicContact CD1-CD1 4Å; F92-Y419 HydrophobicContact CD1-CD2 4.2Å; F92-Y419 AromaticContact CD1-CE1 3.41Å; F92-Y419 HydrophobicContact CD1-CE1 3.41Å; F92-Y419 VanDerWaalsContact CD1-CE1 3.41Å; F92-Y419 AromaticContact CD1-CE2 3.62Å; F92-Y419 HydrophobicContact CD1-CE2 3.62Å; F92-Y419 HydrophobicContact CD1-CG 4.37Å; F92-Y419 AromaticContact CD1-CZ 3.21Å; F92-Y419 WeakPolarHBondContact CD1-OH 3.32Å; F92-Y419 HydrophobicContact CE1-CD1 4.23Å; F92-Y419 HydrophobicContact CE1-CD2 4.06Å; F92-Y419 HydrophobicContact CE1-CE1 4.08Å; F92-Y419 AromaticContact CE1-CE2 3.88Å; F92-Y419 HydrophobicContact CE1-CE2 3.88Å; F92-Y419 HydrophobicContact CE1-CG 4.24Å; F92-Y419 AromaticContact CE1-CZ 3.91Å; F92-Y419 AromaticContact CG-CE1 3.93Å; F92-Y419 HydrophobicContact CG-CE1 3.93Å; D415-Y419 WeakPolarHBondContact CA-O 3.22Å; L416-Y419 PolarHBondContact N-O 3.3Å; L416-Y419 WeakPolarHBondContact O-CB 3.47Å; L416-Y419 PolarHBondContact O-N 3.44Å; M417-Y419 VanDerWaalsContact C-N 3.32Å; Y419-V438 HydrophobicContact CD1-CG1 4.04Å; Y419-V438 HydrophobicContact CG-CG1 4.01Å; Y419-R440 HydrophobicContact CD1-CB 4.06Å; Y419-R440 HydrophobicContact CD1-CG 4.32Å; Y419-R440 HydrophobicContact CE1-CB 4.25Å; Y419-R440 HydrophobicContact CE1-CG 4.12Å; Y419-L441 HydrophobicContact CD1-CD1 4.28Å; Y419-L441 HydrophobicContact CD1-CG 4.08Å; Y419-L441 HydrophobicContact CD2-CD1 4.27Å; Y419-L441 HydrophobicContact CE1-CD1 3.96Å; Y419-L441 HydrophobicContact CE1-CD2 3.8Å; Y419-L441 HydrophobicContact CE1-CG 3.56Å; Y419-L441 HydrophobicContact CE2-CD1 3.95Å; Y419-L441 HydrophobicContact CE2-CG 4.44Å; Y419-L441 HydrophobicContact CG-CD1 4.41Å; Y419-L441 WeakPolarHBondContact OH-CD2 3.43Å; Y419-V468 HydrophobicContact CD2-CG1 4.09Å; Y419-V468 HydrophobicContact CE2-CG1 3.81Å; Y419-E472 VanDerWaalsContact CE2-OE1 3.26Å; Y419-E472 WeakPolarHBondContact CE2-OE1 3.44Å; Y419-E472 PolarHBondContact OH-OE1 2.87Å
420	E	95.4	Very high	95.8	Very high	81 Å²	81	29 Å²	29	38%	0.379	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.9	168	-52.1	-171.6	134	0	0	109	R406 V413 L422	R406-E420 IonicContact CZ-OE1 2.68Å; R406-E420 IonicContact NH1-OE1 2.79Å; R406-E420 PolarHBondContact NH1-OE1 2.87Å; R406-E420 IonicContact NH2-OE1 3.6Å; R406-E420 PolarHBondContact NH2-OE1 2.9Å; V413-E420 HydrophobicContact CG1-CB 4.36Å; E420-L422 HydrophobicContact CB-CD1 4.23Å
421	M	97.3	Very high	95.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.4	169.7	-178.3	-165.8	64.7	0	0	108.4	V413 N414 L416 R423 V438 V460 Y464	V413-M421 WeakPolarHBondContact CA-O 3.18Å; N414-M421 HydrophobicContact CB-CE 4.1Å; N414-M421 PolarHBondContact N-O 2.9Å; N414-M421 VanDerWaalsContact N-O 3.11Å; N414-M421 PolarHBondContact O-N 3.36Å; L416-M421 HydrophobicContact CB-CB 4.05Å; L416-M421 HydrophobicContact CD2-CB 4.15Å; L416-M421 HydrophobicContact CD2-CG 4.44Å; L416-M421 HydrophobicContact CD2-SD 4.43Å; M421-R423 HydrophobicContact CE-CB 4.08Å; M421-V438 HydrophobicContact CB-CG2 4.46Å; M421-V438 HydrophobicContact CG-CG2 4.46Å; M421-V460 HydrophobicContact SD-CG1 4.04Å; M421-Y464 HydrophobicContact CG-CE2 4.11Å; M421-Y464 HydrophobicContact SD-CD2 3.89Å; M421-Y464 HydrophobicContact SD-CE2 3.74Å
422	L	98.3	Very high	95.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.6	171.2	-71.4	61.5	0	0	0	107	L392 W411 V413 E420 S436 L437 P439	L392-L422 HydrophobicContact CB-CD2 3.7Å; L392-L422 HydrophobicContact CD2-CD2 3.62Å; L392-L422 HydrophobicContact CG-CD2 4.16Å; L392-L422 VanDerWaalsContact O-CD2 3.31Å; L392-L422 WeakPolarHBondContact O-CD2 3.21Å; W411-L422 HydrophobicContact CB-CB 4.25Å; W411-L422 HydrophobicContact CB-CG 4.29Å; W411-L422 HydrophobicContact CD2-CB 4.13Å; W411-L422 HydrophobicContact CD2-CD2 4.21Å; W411-L422 HydrophobicContact CE3-CB 4.17Å; W411-L422 HydrophobicContact CG-CB 4.15Å; W411-L422 HydrophobicContact CG-CD2 4.02Å; W411-L422 HydrophobicContact CG-CG 4.17Å; V413-L422 HydrophobicContact CG2-CG 4.31Å; E420-L422 HydrophobicContact CB-CD1 4.23Å; L422-S436 CarbonylContact O-C 3.59Å; L422-S436 WeakPolarHBondContact O-CA 3.35Å; L422-L437 HydrophobicContact CB-CB 4.47Å; L422-L437 PolarHBondContact N-O 2.71Å; L422-L437 PolarHBondContact O-N 3.07Å; L422-P439 HydrophobicContact CD1-CG 3.93Å; L422-P439 HydrophobicContact CD2-CG 3.92Å
423	R	97.4	Very high	95.9	Very high	17 Å²	17	28.8 Å²	28.8	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.2	-178.6	-179.1	167.1	169.6	-178.2	-12.8	110.2	E412 M421 D425 T434 F435 D458	E412-R423 WeakPolarHBondContact CA-O 3.49Å; E412-R423 WeakPolarHBondContact CB-O 3.19Å; E412-R423 WeakPolarHBondContact CG-O 3.25Å; E412-R423 PolarHBondContact N-O 3.31Å; E412-R423 WeakPolarHBondContact O-CB 3Å; E412-R423 PolarHBondContact O-N 2.93Å; M421-R423 HydrophobicContact CE-CB 4.08Å; R423-D425 IonicContact CZ-OD1 2.64Å; R423-D425 IonicContact CZ-OD2 3.9Å; R423-D425 IonicContact NE-OD1 3.2Å; R423-D425 PolarHBondContact NE-OD1 2.68Å; R423-D425 IonicContact NE-OD2 2.67Å; R423-D425 PolarHBondContact NE-OD2 3.18Å; R423-D425 IonicContact NH2-OD1 3.17Å; R423-D425 PolarHBondContact NH2-OD1 3.11Å; R423-D425 IonicContact NH2-OD2 2.84Å; R423-D425 PolarHBondContact NH2-OD2 3.32Å; R423-T434 HydrophobicContact CG-CG2 4.11Å; R423-F435 CarbonylContact C-O 3.55Å; R423-F435 WeakPolarHBondContact CA-O 3.35Å; R423-D458 IonicContact CZ-OD1 3.35Å; R423-D458 IonicContact NH1-OD1 2.68Å; R423-D458 PolarHBondContact NH1-OD1 3.26Å; R423-D458 IonicContact NH1-OD2 2.74Å; R423-D458 PolarHBondContact NH1-OD2 3.01Å; R423-D458 IonicContact NH2-OD1 2.78Å
424	K	98.3	Very high	96	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.7	161	-173.2	75.1	-155.6	75.3	0	106.6	L168 I171 P410 W411 E412 F435	L168-K424 HydrophobicContact CD2-CB 3.99Å; L168-K424 HydrophobicContact CD2-CG 3.84Å; L168-K424 WeakPolarHBondContact CD2-O 3.47Å; I171-K424 HydrophobicContact CD1-CB 4.41Å; I171-K424 HydrophobicContact CG1-CG 4.49Å; P410-K424 HydrophobicContact CG-CD 4.33Å; P410-K424 WeakPolarHBondContact O-CD 3.39Å; W411-K424 HydrophobicContact CE3-CB 4.49Å; W411-K424 HydrophobicContact CZ3-CB 4.4Å; E412-K424 HydrophobicContact CG-CD 4.44Å; E412-K424 IonicContact OE1-NZ 3.29Å; E412-K424 PolarHBondContact OE1-NZ 3.02Å; K424-F435 PolarHBondContact N-O 3.03Å; K424-F435 PolarHBondContact O-N 3.31Å
425	D	97.5	Very high	96.1	Very high	29 Å²	29	27 Å²	27	16%	0.155	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	156.9	169.7	-73.6	-26.3	0	0	0	112	S167 E412 R423 A433 T434 R453	S167-D425 WeakPolarHBondContact CB-O 3.45Å; E412-D425 PolarHBondContact OE2-N 2.94Å; R423-D425 IonicContact CZ-OD1 2.64Å; R423-D425 IonicContact CZ-OD2 3.9Å; R423-D425 IonicContact NE-OD1 3.2Å; R423-D425 PolarHBondContact NE-OD1 2.68Å; R423-D425 IonicContact NE-OD2 2.67Å; R423-D425 PolarHBondContact NE-OD2 3.18Å; R423-D425 IonicContact NH2-OD1 3.17Å; R423-D425 PolarHBondContact NH2-OD1 3.11Å; R423-D425 IonicContact NH2-OD2 2.84Å; R423-D425 PolarHBondContact NH2-OD2 3.32Å; D425-A433 CarbonylContact C-O 3.56Å; D425-A433 WeakPolarHBondContact CA-O 3.3Å; D425-T434 WeakPolarHBondContact OD1-CB 3.27Å; D425-T434 WeakPolarHBondContact OD1-CG2 3.43Å; D425-T434 PolarHBondContact OD1-OG1 3.37Å; D425-R453 VanDerWaalsContact CG-NH2 3.25Å; D425-R453 IonicContact OD1-CZ 3.64Å; D425-R453 IonicContact OD1-NH1 3.45Å; D425-R453 IonicContact OD1-NH2 3.74Å; D425-R453 PolarHBondContact OD1-NH2 2.78Å; D425-R453 VanDerWaalsContact OD1-NH2 3.15Å; D425-R453 IonicContact OD2-CZ 3.83Å; D425-R453 IonicContact OD2-NH1 3.06Å; D425-R453 IonicContact OD2-NH2 3.56Å
426	G	96.9	Very high	96.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.3	172.2	0	0	0	0	0	111	S432 A433	G426-S432 CarbonylContact O-C 3.58Å; G426-S432 VanDerWaalsContact O-CA 3.28Å; G426-S432 WeakPolarHBondContact O-CA 3.37Å; G426-A433 PolarHBondContact N-O 3.16Å; G426-A433 PolarHBondContact O-N 3.02Å
427	D	95.8	Very high	96.7	Very high	88 Å²	88	22 Å²	22	47%	0.471	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.7	172.7	-63.9	-77.7	0	0	0	108.4	Y431 S432	D427-Y431 WeakPolarHBondContact CA-O 3.29Å; D427-S432 VanDerWaalsContact OD1-CB 3.31Å; D427-S432 WeakPolarHBondContact OD1-CB 3.45Å; D427-S432 PolarHBondContact OD1-OG 2.97Å
428	L	95.3	Very high	97	Very high	27 Å²	27	17.8 Å²	17.8	14%	0.141	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	141.8	174	-166	71.5	0	0	0	108.1	A166 Y349 L351 G430 Y431	A166-L428 HydrophobicContact CB-CB 3.67Å; Y349-L428 HydrophobicContact CE2-CD1 4.48Å; Y349-L428 HydrophobicContact CE2-CD2 4.31Å; Y349-L428 WeakPolarHBondContact OH-CD1 3.31Å; Y349-L428 WeakPolarHBondContact OH-CG 3.45Å; L351-L428 HydrophobicContact CD1-CD2 4.27Å; L428-G430 PolarHBondContact O-N 2.96Å; L428-G430 VanDerWaalsContact O-N 3.08Å; L428-Y431 PolarHBondContact N-O 3.01Å; L428-Y431 WeakPolarHBondContact O-CA 3.31Å; L428-Y431 PolarHBondContact O-N 3.28Å
429	D	94.7	Very high	97.2	Very high	61 Å²	61	17.5 Å²	17.5	33%	0.326	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-17.5	102.5	-176.6	-72.4	21.6	0	0	0	115.5	Y340 A346 Y349 Y431	Y340-D429 HydrophobicContact CE1-CB 3.75Å; Y340-D429 PolarHBondContact OH-OD2 2.75Å; A346-D429 VanDerWaalsContact CB-C 3.45Å; A346-D429 HydrophobicContact CB-CB 4.24Å; A346-D429 WeakPolarHBondContact CB-O 3.48Å; Y349-D429 HydrophobicContact CE1-CB 3.96Å; Y349-D429 WeakPolarHBondContact OH-CB 3.49Å; Y349-D429 VanDerWaalsContact OH-CG 3.23Å; D429-Y431 WeakPolarHBondContact O-CD2 3.48Å; D429-Y431 WeakPolarHBondContact O-CE2 3.5Å
430	G	96.5	Very high	97.1	Very high	7 Å²	7	24.5 Å²	24.5	7%	0.072	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	4	177.3	0	0	0	0	0	116.7	G338 V339 L428 A450 G451	G338-G430 CarbonylContact C-O 3.54Å; G338-G430 WeakPolarHBondContact CA-O 3.31Å; V339-G430 PolarHBondContact N-O 3.03Å; V339-G430 WeakPolarHBondContact O-CA 3.32Å; L428-G430 PolarHBondContact O-N 2.96Å; L428-G430 VanDerWaalsContact O-N 3.08Å; G430-A450 CarbonylContact O-C 3.55Å; G430-G451 WeakPolarHBondContact O-CA 3.42Å; G430-G451 PolarHBondContact O-N 3.36Å
431	Y	97.9	Very high	97.1	Very high	6 Å²	6	20.6 Å²	20.6	2%	0.024	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142.2	-179.4	-55.5	-92.2	0	0	0	111.8	R164 F335 A336 G338 L348 D427 L428 D429 M449 A450	R164-Y431 HydrophobicContact CB-CD1 3.93Å; R164-Y431 HydrophobicContact CB-CD2 3.77Å; R164-Y431 HydrophobicContact CB-CE1 4.33Å; R164-Y431 HydrophobicContact CB-CE2 4.21Å; R164-Y431 HydrophobicContact CB-CG 3.66Å; F335-Y431 HydrophobicContact CE1-CE1 4.43Å; F335-Y431 AromaticContact CE1-CZ 3.96Å; F335-Y431 WeakPolarHBondContact CE1-OH 3.14Å; F335-Y431 HydrophobicContact CE2-CE1 4.4Å; F335-Y431 AromaticContact CZ-CE1 3.81Å; F335-Y431 HydrophobicContact CZ-CE1 3.81Å; F335-Y431 HydrophobicContact CZ-CE2 4.41Å; F335-Y431 AromaticContact CZ-CZ 3.49Å; F335-Y431 VanDerWaalsContact CZ-CZ 3.49Å; F335-Y431 WeakPolarHBondContact CZ-OH 3.5Å; A336-Y431 WeakPolarHBondContact O-CE1 3.45Å; A336-Y431 PolarHBondContact O-OH 2.84Å; A336-Y431 VanDerWaalsContact O-OH 3.12Å; G338-Y431 VanDerWaalsContact CA-CZ 3.45Å; G338-Y431 WeakPolarHBondContact CA-OH 3.18Å; G338-Y431 VanDerWaalsContact N-CZ 3.34Å; G338-Y431 PolarHBondContact N-OH 2.81Å; L348-Y431 HydrophobicContact CD2-CE2 4.29Å; D427-Y431 WeakPolarHBondContact CA-O 3.29Å; L428-Y431 PolarHBondContact N-O 3.01Å; L428-Y431 WeakPolarHBondContact O-CA 3.31Å; L428-Y431 PolarHBondContact O-N 3.28Å; D429-Y431 WeakPolarHBondContact O-CD2 3.48Å; D429-Y431 WeakPolarHBondContact O-CE2 3.5Å; Y431-M449 VanDerWaalsContact CA-O 3.31Å; Y431-M449 WeakPolarHBondContact CA-O 3.32Å; Y431-A450 HydrophobicContact CD1-CB 4.28Å; Y431-A450 HydrophobicContact CE1-CB 4.12Å
432	S	98	Very high	97	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.035	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.2	169.1	-68.6	0	0	0	0	108.6	G426 D427 M449 G451 R453	G426-S432 CarbonylContact O-C 3.58Å; G426-S432 VanDerWaalsContact O-CA 3.28Å; G426-S432 WeakPolarHBondContact O-CA 3.37Å; D427-S432 VanDerWaalsContact OD1-CB 3.31Å; D427-S432 WeakPolarHBondContact OD1-CB 3.45Å; D427-S432 PolarHBondContact OD1-OG 2.97Å; S432-M449 PolarHBondContact N-O 3.12Å; S432-M449 VanDerWaalsContact N-O 3.08Å; S432-M449 WeakPolarHBondContact O-CA 3.45Å; S432-M449 VanDerWaalsContact O-CB 3.3Å; S432-M449 WeakPolarHBondContact O-CB 3.32Å; S432-M449 PolarHBondContact O-N 3.45Å; S432-G451 PolarHBondContact N-O 2.58Å; S432-G451 PolarHBondContact OG-O 2.75Å; S432-R453 PolarHBondContact OG-N 2.96Å
433	A	98.4	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148.1	180	0	0	0	0	0	110.6	L168 D425 G426 I447 L448 R453	L168-A433 HydrophobicContact CD1-CB 3.76Å; L168-A433 HydrophobicContact CG-CB 3.84Å; D425-A433 CarbonylContact C-O 3.56Å; D425-A433 WeakPolarHBondContact CA-O 3.3Å; G426-A433 PolarHBondContact N-O 3.16Å; G426-A433 PolarHBondContact O-N 3.02Å; A433-I447 CarbonylContact C-O 2.92Å; A433-I447 WeakPolarHBondContact CA-O 3.43Å; A433-L448 HydrophobicContact CB-CD2 3.76Å; A433-R453 PolarHBondContact O-NH2 3.39Å
434	T	98.5	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.1	172.3	-68.4	0	0	0	0	109.6	R423 D425 V446 I447 R453 V460	R423-T434 HydrophobicContact CG-CG2 4.11Å; D425-T434 WeakPolarHBondContact OD1-CB 3.27Å; D425-T434 WeakPolarHBondContact OD1-CG2 3.43Å; D425-T434 PolarHBondContact OD1-OG1 3.37Å; T434-V446 WeakPolarHBondContact O-CA 3.46Å; T434-I447 PolarHBondContact N-O 3.38Å; T434-I447 PolarHBondContact O-N 3.06Å; T434-R453 VanDerWaalsContact OG1-CZ 3.32Å; T434-R453 PolarHBondContact OG1-NH1 2.93Å; T434-R453 PolarHBondContact OG1-NH2 2.88Å; T434-V460 HydrophobicContact CG2-CG1 4.38Å; T434-V460 HydrophobicContact CG2-CG2 3.76Å
435	F	98.8	Very high	96.9	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118	165.3	-173.8	-81.3	0	0	0	108.2	L168 I171 M367 L370 A371 L374 W411 R423 K424 L437 V446	L168-F435 HydrophobicContact CD1-CB 3.83Å; L168-F435 HydrophobicContact CD2-CB 4.12Å; I171-F435 HydrophobicContact CD1-CB 4.27Å; I171-F435 HydrophobicContact CD1-CD1 4.07Å; I171-F435 HydrophobicContact CD1-CE1 4.5Å; I171-F435 HydrophobicContact CD1-CG 4.07Å; M367-F435 HydrophobicContact CB-CD2 4.49Å; M367-F435 HydrophobicContact CE-CD2 3.38Å; M367-F435 HydrophobicContact CE-CE2 3.74Å; M367-F435 HydrophobicContact CE-CG 4.3Å; M367-F435 WeakPolarHBondContact O-CE2 3.4Å; L370-F435 HydrophobicContact CB-CE2 4.37Å; L370-F435 HydrophobicContact CD2-CE2 4.38Å; L370-F435 HydrophobicContact CG-CE2 4.28Å; L370-F435 HydrophobicContact CG-CZ 4.2Å; A371-F435 HydrophobicContact CB-CE2 3.89Å; A371-F435 HydrophobicContact CB-CZ 3.72Å; L374-F435 HydrophobicContact CD1-CE1 3.83Å; L374-F435 HydrophobicContact CD1-CZ 3.87Å; W411-F435 HydrophobicContact CH2-CD1 4.18Å; W411-F435 AromaticContact CH2-CE1 3.96Å; W411-F435 HydrophobicContact CH2-CE1 3.96Å; W411-F435 AromaticContact CZ3-CD1 3.94Å; W411-F435 HydrophobicContact CZ3-CD1 3.94Å; W411-F435 HydrophobicContact CZ3-CE1 4.17Å; R423-F435 CarbonylContact C-O 3.55Å; R423-F435 WeakPolarHBondContact CA-O 3.35Å; K424-F435 PolarHBondContact N-O 3.03Å; K424-F435 PolarHBondContact O-N 3.31Å; F435-L437 HydrophobicContact CD1-CG 4.37Å; F435-L437 HydrophobicContact CE1-CD1 3.86Å; F435-L437 HydrophobicContact CE1-CD2 3.89Å; F435-L437 HydrophobicContact CE1-CG 3.77Å; F435-L437 HydrophobicContact CZ-CD2 4.27Å; F435-V446 HydrophobicContact CD2-CG2 3.77Å; F435-V446 HydrophobicContact CE2-CG2 4.11Å
436	S	98.6	Very high	97	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.2	180	59.4	0	0	0	0	112.9	L422 G444 L445 Y464	L422-S436 CarbonylContact O-C 3.59Å; L422-S436 WeakPolarHBondContact O-CA 3.35Å; S436-G444 CarbonylContact O-C 3.52Å; S436-G444 WeakPolarHBondContact O-CA 3.49Å; S436-L445 PolarHBondContact N-O 2.88Å; S436-L445 PolarHBondContact O-N 3.28Å; S436-L445 PolarHBondContact OG-O 2.67Å; S436-Y464 PolarHBondContact O-OH 2.81Å; S436-Y464 WeakPolarHBondContact OG-CE2 3.36Å; S436-Y464 PolarHBondContact OG-OH 3Å
437	L	98.6	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.8	179.7	-55.7	177.1	0	0	0	109.6	A371 L374 L375 L392 W411 L422 F435 P439 L443	A371-L437 HydrophobicContact CB-CD2 3.96Å; L374-L437 HydrophobicContact CB-CD1 3.72Å; L374-L437 HydrophobicContact CD1-CD1 4.25Å; L375-L437 HydrophobicContact CD1-CD2 4.31Å; L375-L437 HydrophobicContact CD2-CB 4.3Å; L375-L437 HydrophobicContact CD2-CD2 4.09Å; L375-L437 HydrophobicContact CG-CD2 4.05Å; L392-L437 HydrophobicContact CD2-CD1 4.28Å; W411-L437 HydrophobicContact CH2-CD1 4.4Å; L422-L437 HydrophobicContact CB-CB 4.47Å; L422-L437 PolarHBondContact N-O 2.71Å; L422-L437 PolarHBondContact O-N 3.07Å; F435-L437 HydrophobicContact CD1-CG 4.37Å; F435-L437 HydrophobicContact CE1-CD1 3.86Å; F435-L437 HydrophobicContact CE1-CD2 3.89Å; F435-L437 HydrophobicContact CE1-CG 3.77Å; F435-L437 HydrophobicContact CZ-CD2 4.27Å; L437-P439 HydrophobicContact CB-CG 4.35Å; L437-L443 CarbonylContact C-O 3.54Å; L437-L443 WeakPolarHBondContact CA-O 3.48Å
438	V	97.7	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	83.5	163.3	-174.3	0	0	0	0	106.6	L416 Y419 M421 R440 L441 K442 L443 Y464	L416-V438 HydrophobicContact CD2-CG2 4.13Å; Y419-V438 HydrophobicContact CD1-CG1 4.04Å; Y419-V438 HydrophobicContact CG-CG1 4.01Å; M421-V438 HydrophobicContact CB-CG2 4.46Å; M421-V438 HydrophobicContact CG-CG2 4.46Å; V438-R440 PolarHBondContact O-N 3.13Å; V438-R440 VanDerWaalsContact O-N 3.16Å; V438-L441 HydrophobicContact CG1-CB 4.15Å; V438-L441 HydrophobicContact CG1-CD1 4.03Å; V438-L441 HydrophobicContact CG1-CG 4.14Å; V438-L441 PolarHBondContact O-N 3.19Å; V438-K442 PolarHBondContact O-N 3.04Å; V438-L443 HydrophobicContact CB-CB 4.31Å; V438-L443 PolarHBondContact N-O 2.74Å; V438-L443 PolarHBondContact O-N 3.36Å; V438-Y464 HydrophobicContact CG2-CE1 4.13Å
439	P	95.6	Very high	97.4	Very high	35 Å²	35	16 Å²	16	23%	0.227	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35.9	-167.7	-27.9	35.6	0	0	0	113.8	L392 L422 L437 L441 K442	L392-P439 HydrophobicContact CD1-CB 4.37Å; L392-P439 HydrophobicContact CD1-CG 4.18Å; L422-P439 HydrophobicContact CD1-CG 3.93Å; L422-P439 HydrophobicContact CD2-CG 3.92Å; L437-P439 HydrophobicContact CB-CG 4.35Å; P439-L441 PolarHBondContact O-N 3.47Å; P439-K442 PolarHBondContact O-N 2.9Å
440	R	93.1	Very high	97.5	Very high	149 Å²	149	13 Å²	13	56%	0.562	6%	0.059	S	C	*	.	G	3₁₀ helix	trans	-62	-27.8	178.6	-169.3	170.8	-172.2	158	3.9	113.2	P95 Y419 V438	P95-R440 WeakPolarHBondContact CG-O 3.37Å; Y419-R440 HydrophobicContact CD1-CB 4.06Å; Y419-R440 HydrophobicContact CD1-CG 4.32Å; Y419-R440 HydrophobicContact CE1-CB 4.25Å; Y419-R440 HydrophobicContact CE1-CG 4.12Å; V438-R440 PolarHBondContact O-N 3.13Å; V438-R440 VanDerWaalsContact O-N 3.16Å
441	L	94.9	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-98.9	-0.2	176	-70.8	177.9	0	0	0	113.1	L134 Y419 V438 P439 L443 V468 I471 F475	L134-L441 WeakPolarHBondContact CD1-O 3.4Å; Y419-L441 HydrophobicContact CD1-CD1 4.28Å; Y419-L441 HydrophobicContact CD1-CG 4.08Å; Y419-L441 HydrophobicContact CD2-CD1 4.27Å; Y419-L441 HydrophobicContact CE1-CD1 3.96Å; Y419-L441 HydrophobicContact CE1-CD2 3.8Å; Y419-L441 HydrophobicContact CE1-CG 3.56Å; Y419-L441 HydrophobicContact CE2-CD1 3.95Å; Y419-L441 HydrophobicContact CE2-CG 4.44Å; Y419-L441 HydrophobicContact CG-CD1 4.41Å; Y419-L441 WeakPolarHBondContact OH-CD2 3.43Å; V438-L441 HydrophobicContact CG1-CB 4.15Å; V438-L441 HydrophobicContact CG1-CD1 4.03Å; V438-L441 HydrophobicContact CG1-CG 4.14Å; V438-L441 PolarHBondContact O-N 3.19Å; P439-L441 PolarHBondContact O-N 3.47Å; L441-L443 HydrophobicContact CB-CB 4.01Å; L441-L443 PolarHBondContact O-N 2.72Å; L441-V468 HydrophobicContact CD1-CB 4.41Å; L441-V468 HydrophobicContact CD1-CG1 3.9Å; L441-V468 HydrophobicContact CD1-CG2 4.02Å; L441-I471 HydrophobicContact CD2-CG2 4.28Å; L441-F475 HydrophobicContact CD2-CD2 4.18Å; L441-F475 HydrophobicContact CD2-CE2 3.94Å
442	K	95.1	Very high	97.3	Very high	70 Å²	70	14.5 Å²	14.5	30%	0.304	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	34.7	-169.2	-58.4	-64.9	-169.8	177.1	0	112.8	P95 L134 N135 L375 V438 P439	P95-K442 HydrophobicContact CB-CG 4.05Å; P95-K442 HydrophobicContact CG-CG 4.15Å; L134-K442 WeakPolarHBondContact CA-O 3.49Å; N135-K442 HydrophobicContact CB-CB 4.39Å; N135-K442 PolarHBondContact N-O 3.31Å; L375-K442 HydrophobicContact CB-CD 4.49Å; L375-K442 WeakPolarHBondContact CD1-O 3.46Å; L375-K442 WeakPolarHBondContact O-CD 3.5Å; L375-K442 PolarHBondContact O-NZ 3.31Å; V438-K442 PolarHBondContact O-N 3.04Å; P439-K442 PolarHBondContact O-N 2.9Å
443	L	96.9	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.1	-173.6	-179.9	66.4	0	0	0	110.7	V132 I133 L437 V438 L441 Y464 I467 V468 I471	V132-L443 HydrophobicContact CG1-CD1 3.95Å; I133-L443 CarbonylContact O-C 3.44Å; I133-L443 WeakPolarHBondContact O-CA 3.43Å; I133-L443 WeakPolarHBondContact O-CD1 2.96Å; L437-L443 CarbonylContact C-O 3.54Å; L437-L443 WeakPolarHBondContact CA-O 3.48Å; V438-L443 HydrophobicContact CB-CB 4.31Å; V438-L443 PolarHBondContact N-O 2.74Å; V438-L443 PolarHBondContact O-N 3.36Å; L441-L443 HydrophobicContact CB-CB 4.01Å; L441-L443 PolarHBondContact O-N 2.72Å; L443-Y464 HydrophobicContact CD2-CD1 3.63Å; L443-Y464 HydrophobicContact CD2-CE1 3.46Å; L443-Y464 VanDerWaalsContact CD2-CE1 3.46Å; L443-Y464 HydrophobicContact CG-CD1 4.47Å; L443-Y464 HydrophobicContact CG-CE1 3.83Å; L443-I467 HydrophobicContact CD1-CG2 3.98Å; L443-I467 HydrophobicContact CD2-CG2 3.86Å; L443-V468 HydrophobicContact CD2-CG2 4.23Å; L443-I471 HydrophobicContact CD1-CD1 3.53Å; L443-I471 HydrophobicContact CD2-CD1 3.94Å; L443-I471 HydrophobicContact CG-CD1 4.2Å
444	G	98.1	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.1	175.1	0	0	0	0	0	112.3	V132 I133 S436	V132-G444 WeakPolarHBondContact CA-O 3.38Å; I133-G444 PolarHBondContact N-O 2.99Å; I133-G444 PolarHBondContact O-N 3.36Å; S436-G444 CarbonylContact O-C 3.52Å; S436-G444 WeakPolarHBondContact O-CA 3.49Å
445	L	98.7	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	123.3	171.9	173.2	58.1	0	0	0	109	F116 I131 V132 S436 I447 V460 A463 Y464	F116-L445 HydrophobicContact CE2-CD1 4.49Å; F116-L445 HydrophobicContact CZ-CD1 4.42Å; I131-L445 WeakPolarHBondContact O-CA 3.43Å; I131-L445 WeakPolarHBondContact O-CD1 3.37Å; V132-L445 HydrophobicContact CG2-CD1 3.99Å; S436-L445 PolarHBondContact N-O 2.88Å; S436-L445 PolarHBondContact O-N 3.28Å; S436-L445 PolarHBondContact OG-O 2.67Å; L445-I447 HydrophobicContact CD1-CD1 4.43Å; L445-I447 HydrophobicContact CD1-CG1 3.94Å; L445-I447 HydrophobicContact CD2-CD1 4.18Å; L445-I447 HydrophobicContact CG-CD1 4.23Å; L445-I447 HydrophobicContact CG-CG1 4.04Å; L445-V460 HydrophobicContact CD2-CG1 4.2Å; L445-A463 HydrophobicContact CD2-CB 3.93Å; L445-Y464 HydrophobicContact CB-CE1 4.17Å; L445-Y464 HydrophobicContact CB-CE2 4.35Å; L445-Y464 WeakPolarHBondContact CB-OH 3.44Å; L445-Y464 HydrophobicContact CD2-CE2 4.27Å; L445-Y464 PolarHBondContact N-OH 2.84Å
446	V	98.8	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.2	173.1	179	0	0	0	0	108.2	A130 I131 I133 M367 T434 F435 L448	A130-V446 CarbonylContact C-O 3.18Å; A130-V446 WeakPolarHBondContact CA-O 3.34Å; I131-V446 PolarHBondContact N-O 2.93Å; I131-V446 PolarHBondContact O-N 2.85Å; I133-V446 HydrophobicContact CD1-CG2 4.19Å; M367-V446 HydrophobicContact CB-CB 4.5Å; M367-V446 HydrophobicContact CB-CG1 3.71Å; M367-V446 HydrophobicContact CB-CG2 4.09Å; M367-V446 HydrophobicContact CG-CG1 4.41Å; T434-V446 WeakPolarHBondContact O-CA 3.46Å; F435-V446 HydrophobicContact CD2-CG2 3.77Å; F435-V446 HydrophobicContact CE2-CG2 4.11Å; V446-L448 HydrophobicContact CG1-CD2 4.14Å; V446-L448 HydrophobicContact CG1-CG 4.19Å
447	I	98.7	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.2	175.6	-50.9	169	0	0	0	108.3	F116 L128 S129 A130 A433 T434 L445 M449 V459 V460	F116-I447 HydrophobicContact CE1-CD1 3.62Å; F116-I447 HydrophobicContact CE1-CG1 4.32Å; F116-I447 HydrophobicContact CZ-CD1 3.56Å; F116-I447 HydrophobicContact CZ-CG1 4.04Å; L128-I447 HydrophobicContact CD1-CG2 4.09Å; L128-I447 HydrophobicContact CD2-CG2 4.17Å; L128-I447 HydrophobicContact CG-CG2 3.98Å; S129-I447 WeakPolarHBondContact O-CA 3.35Å; A130-I447 HydrophobicContact CB-CB 4.46Å; A130-I447 HydrophobicContact CB-CG1 4.05Å; A130-I447 HydrophobicContact CB-CG2 4.37Å; A433-I447 CarbonylContact C-O 2.92Å; A433-I447 WeakPolarHBondContact CA-O 3.43Å; T434-I447 PolarHBondContact N-O 3.38Å; T434-I447 PolarHBondContact O-N 3.06Å; L445-I447 HydrophobicContact CD1-CD1 4.43Å; L445-I447 HydrophobicContact CD1-CG1 3.94Å; L445-I447 HydrophobicContact CD2-CD1 4.18Å; L445-I447 HydrophobicContact CG-CD1 4.23Å; L445-I447 HydrophobicContact CG-CG1 4.04Å; I447-M449 HydrophobicContact CG2-CE 3.99Å; I447-M449 HydrophobicContact CG2-CG 4.05Å; I447-M449 HydrophobicContact CG2-SD 4.27Å; I447-V459 HydrophobicContact CD1-CG2 4.28Å; I447-V460 HydrophobicContact CD1-CG2 3.78Å
448	L	98.8	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	175.3	-53.5	-172.6	0	0	0	109.5	L128 S129 Y163 I165 L168 P364 A433 V446	L128-L448 WeakPolarHBondContact CA-O 3.43Å; S129-L448 PolarHBondContact N-O 2.82Å; S129-L448 PolarHBondContact O-N 3.32Å; Y163-L448 HydrophobicContact CD1-CB 4.16Å; Y163-L448 HydrophobicContact CD2-CB 3.57Å; Y163-L448 HydrophobicContact CD2-CD1 3.9Å; Y163-L448 HydrophobicContact CD2-CG 4.39Å; Y163-L448 HydrophobicContact CE2-CB 4.08Å; Y163-L448 HydrophobicContact CG-CB 3.61Å; Y163-L448 HydrophobicContact CG-CD1 4.33Å; I165-L448 HydrophobicContact CG2-CD1 4.14Å; I165-L448 HydrophobicContact CG2-CD2 3.97Å; L168-L448 HydrophobicContact CD1-CD2 4.31Å; P364-L448 HydrophobicContact CG-CD1 4.06Å; P364-L448 HydrophobicContact CG-CG 4.39Å; A433-L448 HydrophobicContact CB-CD2 3.76Å; V446-L448 HydrophobicContact CG1-CD2 4.14Å; V446-L448 HydrophobicContact CG1-CG 4.19Å
449	M	98.4	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.7	-171.4	-69.4	172.4	-83.1	0	0	110.5	L125 A127 L128 Y431 S432 I447 G451 R453	L125-M449 HydrophobicContact CD1-CB 3.6Å; L125-M449 HydrophobicContact CD1-CG 3.83Å; L125-M449 HydrophobicContact CD1-SD 4.21Å; L125-M449 HydrophobicContact CD2-SD 4.11Å; A127-M449 WeakPolarHBondContact O-CA 3.36Å; L128-M449 HydrophobicContact CB-CG 4.21Å; L128-M449 HydrophobicContact CD1-CG 3.78Å; L128-M449 HydrophobicContact CD1-SD 3.98Å; L128-M449 HydrophobicContact CG-CG 3.8Å; Y431-M449 VanDerWaalsContact CA-O 3.31Å; Y431-M449 WeakPolarHBondContact CA-O 3.32Å; S432-M449 PolarHBondContact N-O 3.12Å; S432-M449 VanDerWaalsContact N-O 3.08Å; S432-M449 WeakPolarHBondContact O-CA 3.45Å; S432-M449 VanDerWaalsContact O-CB 3.3Å; S432-M449 WeakPolarHBondContact O-CB 3.32Å; S432-M449 PolarHBondContact O-N 3.45Å; I447-M449 HydrophobicContact CG2-CE 3.99Å; I447-M449 HydrophobicContact CG2-CG 4.05Å; I447-M449 HydrophobicContact CG2-SD 4.27Å; M449-G451 VanDerWaalsContact C-N 3.35Å; M449-G451 PolarHBondContact O-N 3Å; M449-R453 HydrophobicContact CE-CG 4.43Å
450	A	97.9	Very high	94.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	64.9	169.1	0	0	0	0	0	109.1	P126 A127 Y163 A336 G430 Y431	P126-A450 WeakPolarHBondContact CD-O 3.25Å; P126-A450 VanDerWaalsContact CG-O 3.3Å; P126-A450 WeakPolarHBondContact CG-O 2.88Å; A127-A450 HydrophobicContact CB-CB 3.99Å; A127-A450 PolarHBondContact O-N 3.14Å; Y163-A450 HydrophobicContact CD1-CB 4.01Å; Y163-A450 HydrophobicContact CE1-CB 3.9Å; A336-A450 HydrophobicContact CB-CB 3.69Å; G430-A450 CarbonylContact O-C 3.55Å; Y431-A450 HydrophobicContact CD1-CB 4.28Å; Y431-A450 HydrophobicContact CE1-CB 4.12Å
451	G	96.9	Very high	94.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.01	18%	0.18	C	C	.	.	S	Bend	trans	169	-167.8	178.1	0	0	0	0	0	111.3	S124 G430 S432 M449	S124-G451 CarbonylContact O-C 3.48Å; S124-G451 WeakPolarHBondContact O-CA 3.34Å; G430-G451 WeakPolarHBondContact O-CA 3.42Å; G430-G451 PolarHBondContact O-N 3.36Å; S432-G451 PolarHBondContact N-O 2.58Å; S432-G451 PolarHBondContact OG-O 2.75Å; M449-G451 VanDerWaalsContact C-N 3.35Å; M449-G451 PolarHBondContact O-N 3Å
452	S	92.6	Very high	94.7	Very high	42 Å²	42	40.5 Å²	40.5	29%	0.294	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-79.5	135.4	179.6	-56.9	0	0	0	0	111.6	S124	S124-S452 PolarHBondContact O-N 2.84Å
453	R	92.7	Very high	94.9	Very high	34 Å²	34	37.1 Å²	37.1	13%	0.128	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-53.3	137.9	170.6	-172.3	-176.3	-62.2	-98.2	-3.2	111.8	D425 S432 A433 T434 M449 Q455	D425-R453 VanDerWaalsContact CG-NH2 3.25Å; D425-R453 IonicContact OD1-CZ 3.64Å; D425-R453 IonicContact OD1-NH1 3.45Å; D425-R453 IonicContact OD1-NH2 3.74Å; D425-R453 PolarHBondContact OD1-NH2 2.78Å; D425-R453 VanDerWaalsContact OD1-NH2 3.15Å; D425-R453 IonicContact OD2-CZ 3.83Å; D425-R453 IonicContact OD2-NH1 3.06Å; D425-R453 IonicContact OD2-NH2 3.56Å; S432-R453 PolarHBondContact OG-N 2.96Å; A433-R453 PolarHBondContact O-NH2 3.39Å; T434-R453 VanDerWaalsContact OG1-CZ 3.32Å; T434-R453 PolarHBondContact OG1-NH1 2.93Å; T434-R453 PolarHBondContact OG1-NH2 2.88Å; M449-R453 HydrophobicContact CE-CG 4.43Å; R453-Q455 PolarHBondContact O-N 3.15Å; R453-Q455 PolarHBondContact O-NE2 3.27Å
454	P	90.9	Very high	94.9	Very high	30 Å²	30	37.1 Å²	37.1	20%	0.195	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-58.8	127.9	172.9	-22.5	33.4	0	0	0	111.8	L125 V459	L125-P454 HydrophobicContact CD2-CG 3.87Å; P454-V459 HydrophobicContact CB-CG1 4.35Å; P454-V459 HydrophobicContact CG-CG1 4.18Å
455	Q	85.2	Confident	94.9	Very high	174 Å²	174	39.1 Å²	39.1	81%	0.813	20%	0.195	S	C	*	.	S	Bend	trans	-90.5	-20.3	-175.7	-63.8	-64.5	-31.4	0	0	114	R453 Q457	R453-Q455 PolarHBondContact O-N 3.15Å; R453-Q455 PolarHBondContact O-NE2 3.27Å; Q455-Q457 VanDerWaalsContact C-N 3.34Å; Q455-Q457 PolarHBondContact O-N 3.21Å
456	K	85	Confident	94.8	Very high	214 Å²	214	42.4 Å²	42.4	93%	0.93	21%	0.208	S	C	*	.	S	Bend	trans	-72.6	-26	-173.2	-67.9	-176.1	179	179.9	0	113.6
457	Q	86.8	Confident	94.7	Very high	88 Å²	88	42.4 Å²	42.4	41%	0.411	21%	0.208	S	C	.	.	S	Bend	trans	-155.9	149.7	-178.3	65.4	-176.6	2.1	0	0	110.4	Q455 V459	Q455-Q457 VanDerWaalsContact C-N 3.34Å; Q455-Q457 PolarHBondContact O-N 3.21Å; Q457-V459 HydrophobicContact CG-CG1 4.23Å; Q457-V459 PolarHBondContact O-N 2.86Å; Q457-V459 VanDerWaalsContact O-N 3.17Å
458	D	93.1	Very high	94.6	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.332	21%	0.208	S	C	.	.			trans	-78.1	98.9	169.2	-176.1	7.6	0	0	0	110.1	R423 V460 T461 K462	R423-D458 IonicContact CZ-OD1 3.35Å; R423-D458 IonicContact NH1-OD1 2.68Å; R423-D458 PolarHBondContact NH1-OD1 3.26Å; R423-D458 IonicContact NH1-OD2 2.74Å; R423-D458 PolarHBondContact NH1-OD2 3.01Å; R423-D458 IonicContact NH2-OD1 2.78Å; D458-V460 PolarHBondContact O-N 3.11Å; D458-V460 WeakPolarHBondContact OD1-CB 3.34Å; D458-V460 PolarHBondContact OD1-N 3.07Å; D458-V460 VanDerWaalsContact OD1-N 3.17Å; D458-T461 PolarHBondContact O-N 3.44Å; D458-T461 WeakPolarHBondContact OD2-CB 3.48Å; D458-T461 PolarHBondContact OD2-OG1 2.74Å; D458-K462 WeakPolarHBondContact O-CB 3.25Å; D458-K462 PolarHBondContact O-N 3.32Å
459	V	95.6	Very high	94.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-25.3	-178.5	-63.5	0	0	0	0	113.1	F116 I447 P454 Q457 A463	F116-V459 HydrophobicContact CD1-CB 4.46Å; F116-V459 HydrophobicContact CE1-CB 3.93Å; F116-V459 HydrophobicContact CE1-CG2 4.04Å; I447-V459 HydrophobicContact CD1-CG2 4.28Å; P454-V459 HydrophobicContact CB-CG1 4.35Å; P454-V459 HydrophobicContact CG-CG1 4.18Å; Q457-V459 HydrophobicContact CG-CG1 4.23Å; Q457-V459 PolarHBondContact O-N 2.86Å; Q457-V459 VanDerWaalsContact O-N 3.17Å; V459-A463 VanDerWaalsContact O-CB 3.24Å; V459-A463 WeakPolarHBondContact O-CB 3.44Å; V459-A463 PolarHBondContact O-N 3.23Å
460	V	96.7	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-73.3	-55.1	179.8	-178.7	0	0	0	0	109.5	M421 T434 L445 I447 D458 K462 A463 Y464	M421-V460 HydrophobicContact SD-CG1 4.04Å; T434-V460 HydrophobicContact CG2-CG1 4.38Å; T434-V460 HydrophobicContact CG2-CG2 3.76Å; L445-V460 HydrophobicContact CD2-CG1 4.2Å; I447-V460 HydrophobicContact CD1-CG2 3.78Å; D458-V460 PolarHBondContact O-N 3.11Å; D458-V460 WeakPolarHBondContact OD1-CB 3.34Å; D458-V460 PolarHBondContact OD1-N 3.07Å; D458-V460 VanDerWaalsContact OD1-N 3.17Å; V460-K462 PolarHBondContact O-N 3.5Å; V460-A463 PolarHBondContact O-N 2.77Å; V460-Y464 HydrophobicContact CG1-CD2 3.93Å; V460-Y464 HydrophobicContact CG1-CE2 3.72Å; V460-Y464 WeakPolarHBondContact O-CD2 3.42Å; V460-Y464 PolarHBondContact O-N 2.79Å
461	T	95.7	Very high	94.1	Very high	56 Å²	56	45.8 Å²	45.8	34%	0.344	23%	0.231	S	C	.	.	H	α-helix	trans	-57	-40.9	175.3	-61.8	0	0	0	0	110.9	L416 D458 Y464 S465	L416-T461 HydrophobicContact CD1-CG2 4.05Å; D458-T461 PolarHBondContact O-N 3.44Å; D458-T461 WeakPolarHBondContact OD2-CB 3.48Å; D458-T461 PolarHBondContact OD2-OG1 2.74Å; T461-Y464 PolarHBondContact O-N 3.22Å; T461-S465 PolarHBondContact O-N 2.86Å
462	K	97.1	Very high	93.9	Very high	77 Å²	77	47.7 Å²	47.7	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-44	178.3	-169.9	63.2	177.4	168	0	112.4	L115 D458 V460 Y464 S465 Y466	L115-K462 HydrophobicContact CD1-CB 4.41Å; L115-K462 HydrophobicContact CD1-CG 3.9Å; L115-K462 HydrophobicContact CD2-CB 3.92Å; L115-K462 HydrophobicContact CD2-CG 3.86Å; D458-K462 WeakPolarHBondContact O-CB 3.25Å; D458-K462 PolarHBondContact O-N 3.32Å; V460-K462 PolarHBondContact O-N 3.5Å; K462-Y464 VanDerWaalsContact C-N 3.35Å; K462-Y464 PolarHBondContact O-N 2.99Å; K462-S465 WeakPolarHBondContact O-CB 3.34Å; K462-S465 PolarHBondContact O-N 3.26Å; K462-S465 PolarHBondContact O-OG 3.44Å; K462-Y466 HydrophobicContact CD-CE2 4.43Å; K462-Y466 WeakPolarHBondContact CE-OH 3.41Å; K462-Y466 HydrophobicContact CG-CE2 4.12Å; K462-Y466 WeakPolarHBondContact O-CD2 3.27Å
463	A	97.9	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-47.3	174.9	0	0	0	0	0	111	V112 L115 F116 L445 V459 V460 S465 Y466 I467	V112-A463 HydrophobicContact CG1-CB 4.33Å; V112-A463 HydrophobicContact CG2-CB 4.18Å; L115-A463 HydrophobicContact CD2-CB 4Å; F116-A463 HydrophobicContact CE2-CB 4.43Å; F116-A463 HydrophobicContact CZ-CB 4.04Å; L445-A463 HydrophobicContact CD2-CB 3.93Å; V459-A463 VanDerWaalsContact O-CB 3.24Å; V459-A463 WeakPolarHBondContact O-CB 3.44Å; V459-A463 PolarHBondContact O-N 3.23Å; V460-A463 PolarHBondContact O-N 2.77Å; A463-S465 VanDerWaalsContact C-N 3.29Å; A463-S465 PolarHBondContact O-N 2.72Å; A463-Y466 PolarHBondContact O-N 3.43Å; A463-Y466 VanDerWaalsContact O-N 3.07Å; A463-I467 WeakPolarHBondContact O-CG1 3.36Å; A463-I467 PolarHBondContact O-N 2.99Å; A463-I467 VanDerWaalsContact O-N 3.15Å
464	Y	98	Very high	93.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-32.7	176.9	-77.1	-52.8	0	0	0	113.7	L416 M417 M421 S436 V438 L443 L445 V460 T461 K462 Y466 I467 V468	L416-Y464 HydrophobicContact CD2-CD1 4.38Å; L416-Y464 HydrophobicContact CD2-CD2 3.69Å; L416-Y464 HydrophobicContact CD2-CE2 4.47Å; L416-Y464 HydrophobicContact CD2-CG 3.63Å; M417-Y464 WeakPolarHBondContact CE-O 3.47Å; M421-Y464 HydrophobicContact CG-CE2 4.11Å; M421-Y464 HydrophobicContact SD-CD2 3.89Å; M421-Y464 HydrophobicContact SD-CE2 3.74Å; S436-Y464 PolarHBondContact O-OH 2.81Å; S436-Y464 WeakPolarHBondContact OG-CE2 3.36Å; S436-Y464 PolarHBondContact OG-OH 3Å; V438-Y464 HydrophobicContact CG2-CE1 4.13Å; L443-Y464 HydrophobicContact CD2-CD1 3.63Å; L443-Y464 HydrophobicContact CD2-CE1 3.46Å; L443-Y464 VanDerWaalsContact CD2-CE1 3.46Å; L443-Y464 HydrophobicContact CG-CD1 4.47Å; L443-Y464 HydrophobicContact CG-CE1 3.83Å; L445-Y464 HydrophobicContact CB-CE1 4.17Å; L445-Y464 HydrophobicContact CB-CE2 4.35Å; L445-Y464 WeakPolarHBondContact CB-OH 3.44Å; L445-Y464 HydrophobicContact CD2-CE2 4.27Å; L445-Y464 PolarHBondContact N-OH 2.84Å; V460-Y464 HydrophobicContact CG1-CD2 3.93Å; V460-Y464 HydrophobicContact CG1-CE2 3.72Å; V460-Y464 WeakPolarHBondContact O-CD2 3.42Å; V460-Y464 PolarHBondContact O-N 2.79Å; T461-Y464 PolarHBondContact O-N 3.22Å; K462-Y464 VanDerWaalsContact C-N 3.35Å; K462-Y464 PolarHBondContact O-N 2.99Å; Y464-Y466 PolarHBondContact O-N 3.18Å; Y464-Y466 VanDerWaalsContact O-N 3.14Å; Y464-I467 PolarHBondContact O-N 2.91Å; Y464-I467 VanDerWaalsContact O-N 3.12Å; Y464-V468 HydrophobicContact CD1-CG2 4.33Å; Y464-V468 WeakPolarHBondContact O-CB 3.01Å; Y464-V468 WeakPolarHBondContact O-CG2 3.44Å; Y464-V468 PolarHBondContact O-N 3.4Å
465	S	97	Very high	93.8	Very high	42 Å²	42	48.5 Å²	48.5	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-22.1	174.9	79.3	0	0	0	0	113.6	T461 K462 A463	T461-S465 PolarHBondContact O-N 2.86Å; K462-S465 WeakPolarHBondContact O-CB 3.34Å; K462-S465 PolarHBondContact O-N 3.26Å; K462-S465 PolarHBondContact O-OG 3.44Å; A463-S465 VanDerWaalsContact C-N 3.29Å; A463-S465 PolarHBondContact O-N 2.72Å
466	Y	97.6	Very high	93.9	Very high	69 Å²	69	43.6 Å²	43.6	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-89.2	-42.2	171.7	-58.8	-50.9	0	0	0	112.1	A108 K111 V112 L115 K462 A463 Y464	A108-Y466 VanDerWaalsContact CB-O 3.28Å; A108-Y466 WeakPolarHBondContact CB-O 3.46Å; K111-Y466 HydrophobicContact CB-CD1 4.12Å; K111-Y466 HydrophobicContact CB-CD2 3.8Å; K111-Y466 HydrophobicContact CB-CE1 4.31Å; K111-Y466 HydrophobicContact CB-CE2 4.02Å; K111-Y466 HydrophobicContact CB-CG 3.85Å; K111-Y466 HydrophobicContact CD-CD1 3.75Å; K111-Y466 HydrophobicContact CD-CE1 3.94Å; K111-Y466 HydrophobicContact CD-CG 4.26Å; V112-Y466 HydrophobicContact CG2-CD2 4.35Å; L115-Y466 HydrophobicContact CD2-CE2 4.48Å; K462-Y466 HydrophobicContact CD-CE2 4.43Å; K462-Y466 WeakPolarHBondContact CE-OH 3.41Å; K462-Y466 HydrophobicContact CG-CE2 4.12Å; K462-Y466 WeakPolarHBondContact O-CD2 3.27Å; A463-Y466 PolarHBondContact O-N 3.43Å; A463-Y466 VanDerWaalsContact O-N 3.07Å; Y464-Y466 PolarHBondContact O-N 3.18Å; Y464-Y466 VanDerWaalsContact O-N 3.14Å
467	I	97.3	Very high	94	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-76.2	-45.8	-171.1	-60.7	163.1	0	0	0	112.4	L105 V112 V132 L443 A463 Y464 A470 I471	L105-I467 HydrophobicContact CD2-CG2 4.3Å; V112-I467 HydrophobicContact CG2-CD1 3.86Å; V112-I467 HydrophobicContact CG2-CG1 3.77Å; V132-I467 HydrophobicContact CG1-CD1 4.08Å; V132-I467 HydrophobicContact CG2-CD1 3.82Å; L443-I467 HydrophobicContact CD1-CG2 3.98Å; L443-I467 HydrophobicContact CD2-CG2 3.86Å; A463-I467 WeakPolarHBondContact O-CG1 3.36Å; A463-I467 PolarHBondContact O-N 2.99Å; A463-I467 VanDerWaalsContact O-N 3.15Å; Y464-I467 PolarHBondContact O-N 2.91Å; Y464-I467 VanDerWaalsContact O-N 3.12Å; I467-A470 WeakPolarHBondContact O-CB 3.48Å; I467-A470 PolarHBondContact O-N 2.96Å; I467-A470 VanDerWaalsContact O-N 3.16Å; I467-I471 HydrophobicContact CG2-CD1 3.48Å; I467-I471 VanDerWaalsContact CG2-CD1 3.48Å; I467-I471 HydrophobicContact CG2-CG1 3.98Å; I467-I471 PolarHBondContact O-N 3.01Å
468	V	96.5	Very high	94	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-49.9	-172	168.7	0	0	0	0	112	L416 M417 Y419 L441 L443 Y464 A470 I471 E472	L416-V468 HydrophobicContact CD2-CG2 4.45Å; M417-V468 HydrophobicContact CE-CB 3.57Å; M417-V468 HydrophobicContact CE-CG1 3.98Å; M417-V468 HydrophobicContact CE-CG2 3.8Å; M417-V468 HydrophobicContact SD-CB 4.33Å; M417-V468 HydrophobicContact SD-CG1 4.36Å; Y419-V468 HydrophobicContact CD2-CG1 4.09Å; Y419-V468 HydrophobicContact CE2-CG1 3.81Å; L441-V468 HydrophobicContact CD1-CB 4.41Å; L441-V468 HydrophobicContact CD1-CG1 3.9Å; L441-V468 HydrophobicContact CD1-CG2 4.02Å; L443-V468 HydrophobicContact CD2-CG2 4.23Å; Y464-V468 HydrophobicContact CD1-CG2 4.33Å; Y464-V468 WeakPolarHBondContact O-CB 3.01Å; Y464-V468 WeakPolarHBondContact O-CG2 3.44Å; Y464-V468 PolarHBondContact O-N 3.4Å; V468-A470 VanDerWaalsContact C-N 3.26Å; V468-A470 PolarHBondContact O-N 3.01Å; V468-I471 PolarHBondContact O-N 3.37Å; V468-E472 HydrophobicContact CG1-CG 4.3Å; V468-E472 WeakPolarHBondContact O-CG 3.38Å; V468-E472 PolarHBondContact O-N 3.18Å
469	P	95.1	Very high	93.5	Very high	60 Å²	60	43 Å²	43	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-35.1	178.1	-23.8	35.2	0	0	0	113.2	M417 K473	M417-P469 HydrophobicContact SD-CG 4.34Å; P469-K473 WeakPolarHBondContact O-CB 3.33Å; P469-K473 PolarHBondContact O-N 3.19Å
470	A	95.2	Very high	92.9	Very high	10 Å²	10	45.7 Å²	45.7	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-68.6	-38.3	178.4	0	0	0	0	0	112.6	S104 L105 A108 I467 V468 A474	S104-A470 WeakPolarHBondContact O-CB 3.44Å; S104-A470 PolarHBondContact OG-O 3.26Å; S104-A470 VanDerWaalsContact OG-O 3.12Å; L105-A470 HydrophobicContact CD2-CB 4.12Å; A108-A470 HydrophobicContact CB-CB 3.68Å; I467-A470 WeakPolarHBondContact O-CB 3.48Å; I467-A470 PolarHBondContact O-N 2.96Å; I467-A470 VanDerWaalsContact O-N 3.16Å; V468-A470 VanDerWaalsContact C-N 3.26Å; V468-A470 PolarHBondContact O-N 3.01Å; A470-A474 WeakPolarHBondContact O-CB 3.26Å; A470-A474 PolarHBondContact O-N 2.92Å
471	I	93.8	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.3	-44.9	174.6	-71.3	-177.6	0	0	0	111.1	L105 L134 L441 L443 I467 V468 K473 A474 F475	L105-I471 HydrophobicContact CD1-CG1 4.25Å; L105-I471 HydrophobicContact CD2-CD1 4.17Å; L105-I471 HydrophobicContact CD2-CG1 3.45Å; L105-I471 VanDerWaalsContact CD2-CG1 3.45Å; L105-I471 HydrophobicContact CG-CG1 4.2Å; L134-I471 HydrophobicContact CD1-CD1 4.14Å; L441-I471 HydrophobicContact CD2-CG2 4.28Å; L443-I471 HydrophobicContact CD1-CD1 3.53Å; L443-I471 HydrophobicContact CD2-CD1 3.94Å; L443-I471 HydrophobicContact CG-CD1 4.2Å; I467-I471 HydrophobicContact CG2-CD1 3.48Å; I467-I471 VanDerWaalsContact CG2-CD1 3.48Å; I467-I471 HydrophobicContact CG2-CG1 3.98Å; I467-I471 PolarHBondContact O-N 3.01Å; V468-I471 PolarHBondContact O-N 3.37Å; I471-K473 VanDerWaalsContact C-N 3.28Å; I471-K473 PolarHBondContact O-N 3.12Å; I471-A474 PolarHBondContact O-N 3.46Å; I471-A474 VanDerWaalsContact O-N 3.1Å; I471-F475 HydrophobicContact CG2-CD2 3.57Å; I471-F475 HydrophobicContact CG2-CE1 4.47Å; I471-F475 HydrophobicContact CG2-CE2 3.19Å; I471-F475 HydrophobicContact CG2-CG 4.37Å; I471-F475 HydrophobicContact CG2-CZ 3.7Å; I471-F475 PolarHBondContact O-N 3.03Å
472	E	92.6	Very high	91.9	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	25%	0.25	C	C	.	.	H	α-helix	trans	-56.9	-46.7	176.2	-74.7	-174.5	146	0	0	110.8	P93 Y419 V468 A474 F475 R476	P93-E472 HydrophobicContact CG-CB 4.11Å; P93-E472 HydrophobicContact CG-CG 4.08Å; Y419-E472 VanDerWaalsContact CE2-OE1 3.26Å; Y419-E472 WeakPolarHBondContact CE2-OE1 3.44Å; Y419-E472 PolarHBondContact OH-OE1 2.87Å; V468-E472 HydrophobicContact CG1-CG 4.3Å; V468-E472 WeakPolarHBondContact O-CG 3.38Å; V468-E472 PolarHBondContact O-N 3.18Å; E472-A474 VanDerWaalsContact C-N 3.34Å; E472-A474 PolarHBondContact O-N 2.93Å; E472-F475 PolarHBondContact O-N 3.09Å; E472-R476 WeakPolarHBondContact O-CB 3.21Å; E472-R476 WeakPolarHBondContact O-CD 3.32Å; E472-R476 WeakPolarHBondContact O-CG 3.3Å; E472-R476 PolarHBondContact O-N 3.47Å
473	K	91.3	Very high	91.6	Very high	107 Å²	107	51.8 Å²	51.8	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-57.5	-47.5	174.3	-177.1	178.2	177.2	-178	0	111.4	P469 I471 F475 R476 E477	P469-K473 WeakPolarHBondContact O-CB 3.33Å; P469-K473 PolarHBondContact O-N 3.19Å; I471-K473 VanDerWaalsContact C-N 3.28Å; I471-K473 PolarHBondContact O-N 3.12Å; K473-F475 PolarHBondContact O-N 3.24Å; K473-R476 PolarHBondContact O-N 3.22Å; K473-E477 WeakPolarHBondContact CE-OE1 3.49Å; K473-E477 HydrophobicContact CG-CG 4.43Å; K473-E477 IonicContact NZ-OE1 3.89Å; K473-E477 WeakPolarHBondContact O-CB 3.22Å; K473-E477 WeakPolarHBondContact O-CG 3.46Å; K473-E477 PolarHBondContact O-N 2.73Å
474	A	91.6	Very high	91.4	Very high	8 Å²	8	53.7 Å²	53.7	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-43.8	179.3	0	0	0	0	0	112.3	L98 I102 A470 I471 E472 E477 A478	L98-A474 HydrophobicContact CD1-CB 3.82Å; L98-A474 HydrophobicContact CD2-CB 4.2Å; I102-A474 HydrophobicContact CG2-CB 3.72Å; A470-A474 WeakPolarHBondContact O-CB 3.26Å; A470-A474 PolarHBondContact O-N 2.92Å; I471-A474 PolarHBondContact O-N 3.46Å; I471-A474 VanDerWaalsContact O-N 3.1Å; E472-A474 VanDerWaalsContact C-N 3.34Å; E472-A474 PolarHBondContact O-N 2.93Å; A474-E477 PolarHBondContact O-N 3.38Å; A474-A478 VanDerWaalsContact O-CB 3.3Å; A474-A478 WeakPolarHBondContact O-CB 3.33Å; A474-A478 PolarHBondContact O-N 3.04Å
475	F	91.1	Very high	91.1	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-34.5	176.7	-68.8	-33.4	0	0	0	113.1	P93 P95 L96 L98 L134 L441 I471 E472 K473	P93-F475 HydrophobicContact CB-CB 3.83Å; P93-F475 HydrophobicContact CG-CB 4.01Å; P93-F475 HydrophobicContact CG-CD2 4.28Å; P95-F475 HydrophobicContact CB-CE1 4.31Å; P95-F475 HydrophobicContact CB-CE2 4.01Å; P95-F475 HydrophobicContact CB-CZ 3.79Å; P95-F475 HydrophobicContact CG-CE2 4.27Å; L96-F475 HydrophobicContact CB-CD1 4.42Å; L96-F475 VanDerWaalsContact O-CE1 3.27Å; L96-F475 WeakPolarHBondContact O-CE1 3.45Å; L98-F475 HydrophobicContact CD1-CD1 4.01Å; L98-F475 HydrophobicContact CD1-CE1 3.75Å; L98-F475 HydrophobicContact CD2-CD1 3.79Å; L98-F475 HydrophobicContact CD2-CE1 4.18Å; L98-F475 HydrophobicContact CG-CD1 4.03Å; L98-F475 HydrophobicContact CG-CE1 3.88Å; L134-F475 HydrophobicContact CD1-CZ 4.14Å; L441-F475 HydrophobicContact CD2-CD2 4.18Å; L441-F475 HydrophobicContact CD2-CE2 3.94Å; I471-F475 HydrophobicContact CG2-CD2 3.57Å; I471-F475 HydrophobicContact CG2-CE1 4.47Å; I471-F475 HydrophobicContact CG2-CE2 3.19Å; I471-F475 HydrophobicContact CG2-CG 4.37Å; I471-F475 HydrophobicContact CG2-CZ 3.7Å; I471-F475 PolarHBondContact O-N 3.03Å; E472-F475 PolarHBondContact O-N 3.09Å; K473-F475 PolarHBondContact O-N 3.24Å
476	R	87.2	Confident	90.9	Very high	71 Å²	71	57.6 Å²	57.6	27%	0.268	30%	0.297	S	S	.	.	H	α-helix	trans	-70	-34.1	176.4	-70.8	164	-174.7	-57.4	-2.8	112.4	P90 R91 P93 E472 K473 E550	P90-R476 PolarHBondContact O-NH1 3.16Å; P90-R476 PolarHBondContact O-NH2 2.83Å; R91-R476 PolarHBondContact O-NH2 3.22Å; P93-R476 HydrophobicContact CB-CG 4.04Å; P93-R476 HydrophobicContact CG-CG 4.3Å; E472-R476 WeakPolarHBondContact O-CB 3.21Å; E472-R476 WeakPolarHBondContact O-CD 3.32Å; E472-R476 WeakPolarHBondContact O-CG 3.3Å; E472-R476 PolarHBondContact O-N 3.47Å; K473-R476 PolarHBondContact O-N 3.22Å; R476-E550 WeakPolarHBondContact CD-OE1 3.2Å; R476-E550 IonicContact CZ-OE1 2.68Å; R476-E550 IonicContact NE-OE1 3.57Å; R476-E550 PolarHBondContact NE-OE1 3.46Å; R476-E550 IonicContact NH1-OE1 2.81Å; R476-E550 PolarHBondContact NH1-OE1 2.92Å
477	E	86.6	Confident	90.6	Very high	136 Å²	136	58.6 Å²	58.6	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-86.2	-18.8	178.6	-69.1	175.3	172.6	0	0	112.9	K473 A474 K479	K473-E477 WeakPolarHBondContact CE-OE1 3.49Å; K473-E477 HydrophobicContact CG-CG 4.43Å; K473-E477 IonicContact NZ-OE1 3.89Å; K473-E477 WeakPolarHBondContact O-CB 3.22Å; K473-E477 WeakPolarHBondContact O-CG 3.46Å; K473-E477 PolarHBondContact O-N 2.73Å; A474-E477 PolarHBondContact O-N 3.38Å; E477-K479 PolarHBondContact O-N 2.82Å
478	A	87.1	Confident	90.5	Very high	20 Å²	20	60.1 Å²	60.1	17%	0.165	32%	0.317	C	S	.	.	S	Bend	trans	-61.8	135.5	179.6	0	0	0	0	0	111.6	L96 L98 A474 K480	L96-A478 HydrophobicContact CB-CB 4.23Å; L96-A478 HydrophobicContact CD1-CB 4.03Å; L98-A478 HydrophobicContact CD2-CB 3.73Å; A474-A478 VanDerWaalsContact O-CB 3.3Å; A474-A478 WeakPolarHBondContact O-CB 3.33Å; A474-A478 PolarHBondContact O-N 3.04Å; A478-K480 PolarHBondContact O-N 3.33Å
479	K	81.8	Confident	90.3	Very high	195 Å²	195	65.9 Å²	65.9	85%	0.848	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-67.7	118.2	176.2	-173.7	179.5	178.6	-176	0	109.5	E477 I481	E477-K479 PolarHBondContact O-N 2.82Å; K479-I481 PolarHBondContact O-N 3.08Å
480	K	83.2	Confident	90.3	Very high	59 Å²	59	63.3 Å²	63.3	26%	0.257	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-67.8	125.9	173	-63.2	-178.3	-176.6	-175.7	0	109.6	L96 A478 L482 V546 F547	L96-K480 HydrophobicContact CD1-CG 3.93Å; A478-K480 PolarHBondContact O-N 3.33Å; K480-L482 HydrophobicContact CB-CD2 4.25Å; K480-L482 HydrophobicContact CB-CG 4.47Å; K480-V546 HydrophobicContact CD-CG1 3.93Å; K480-F547 PolarHBondContact NZ-O 2.93Å
481	I	83.1	Confident	90.3	Very high	150 Å²	150	63.2 Å²	63.2	77%	0.769	33%	0.325	S	S	*	.			trans	-89.4	111.8	171.5	-57.4	174.9	0	0	0	107	K479	K479-I481 PolarHBondContact O-N 3.08Å
482	L	88.8	Confident	90.4	Very high	33 Å²	33	65.4 Å²	65.4	17%	0.173	34%	0.336	C	S	.	.			trans	-109	144.6	177.7	-55	-177.1	0	0	0	109.7	K480 V512 K534 N536 V546	K480-L482 HydrophobicContact CB-CD2 4.25Å; K480-L482 HydrophobicContact CB-CG 4.47Å; L482-V512 HydrophobicContact CB-CG1 4.23Å; L482-V512 HydrophobicContact CB-CG2 3.93Å; L482-V512 HydrophobicContact CD1-CG1 4.31Å; L482-K534 HydrophobicContact CD1-CB 3.69Å; L482-K534 HydrophobicContact CD1-CD 3.48Å; L482-K534 VanDerWaalsContact CD1-CD 3.48Å; L482-K534 HydrophobicContact CD1-CG 4.23Å; L482-N536 VanDerWaalsContact CA-OD1 3.26Å; L482-N536 WeakPolarHBondContact CA-OD1 3.38Å; L482-N536 HydrophobicContact CB-CB 4.48Å; L482-N536 HydrophobicContact CD2-CB 4.13Å; L482-V546 HydrophobicContact CD1-CB 4.35Å; L482-V546 HydrophobicContact CD1-CG1 4.35Å; L482-V546 HydrophobicContact CD2-CB 4.38Å; L482-V546 HydrophobicContact CD2-CG1 4.12Å; L482-V546 HydrophobicContact CD2-CG2 4.1Å
483	V	91	Very high	90.5	Very high	78 Å²	78	64.2 Å²	64.2	47%	0.473	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-89.2	127.9	-179.7	-174.3	0	0	0	0	108.9	N536 Y537	V483-N536 PolarHBondContact N-OD1 2.98Å; V483-Y537 HydrophobicContact CG1-CD1 4.04Å; V483-Y537 VanDerWaalsContact O-CB 3.28Å; V483-Y537 WeakPolarHBondContact O-CB 2.92Å; V483-Y537 PolarHBondContact O-N 2.97Å
484	A	93.3	Very high	90.7	Very high	40 Å²	40	61.3 Å²	61.3	33%	0.331	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-81	151.5	173	0	0	0	0	0	111.3	G511 V512	A484-G511 WeakPolarHBondContact CB-O 3.21Å; A484-V512 HydrophobicContact CB-CG2 4.4Å
485	S	91.8	Very high	90.8	Very high	15 Å²	15	61 Å²	61	11%	0.105	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-68.3	137.3	172.1	178.9	0	0	0	0	110.3	N487	S485-N487 PolarHBondContact O-N 3.45Å; S485-N487 PolarHBondContact OG-N 2.91Å; S485-N487 PolarHBondContact OG-O 3.43Å
486	P	92.3	Very high	90.8	Very high	110 Å²	110	60.6 Å²	60.6	71%	0.714	32%	0.317	S	S	*	.	S	Bend	trans	-57.7	-30.8	173	-23.8	33.2	0	0	0	113.4	Y537	P486-Y537 HydrophobicContact CG-CE1 4.23Å
487	N	92.6	Very high	90.8	Very high	89 Å²	89	60.3 Å²	60.3	48%	0.476	32%	0.317	S	S	.	.			trans	-136	105.4	173.8	-175.9	6.2	0	0	0	109.6	S485 E489 Y491	S485-N487 PolarHBondContact O-N 3.45Å; S485-N487 PolarHBondContact OG-N 2.91Å; S485-N487 PolarHBondContact OG-O 3.43Å; N487-E489 PolarHBondContact OD1-N 3.49Å; N487-Y491 WeakPolarHBondContact O-CE2 3.45Å
488	P	93.6	Very high	90.6	Very high	32 Å²	32	57.5 Å²	57.5	21%	0.208	31%	0.312	C	S	.	.			trans	-81.2	-24.1	-178.7	30.6	-33.8	0	0	0	113.5	P490 Y491 I492 V507 L513	P488-P490 VanDerWaalsContact C-CD 3.42Å; P488-Y491 PolarHBondContact O-N 3.25Å; P488-I492 HydrophobicContact CB-CD1 4.23Å; P488-I492 WeakPolarHBondContact O-CG1 3.26Å; P488-I492 PolarHBondContact O-N 2.9Å; P488-V507 HydrophobicContact CB-CG2 3.85Å; P488-V507 HydrophobicContact CG-CG2 4.02Å; P488-L513 HydrophobicContact CB-CD2 3.82Å
489	E	94	Very high	90.4	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-49.7	-44.6	-172.2	-71.9	-62.7	140.5	0	0	114.6	N487 Y491 I492	N487-E489 PolarHBondContact OD1-N 3.49Å; E489-Y491 PolarHBondContact O-N 2.99Å; E489-I492 PolarHBondContact O-N 3.42Å
490	P	94.9	Very high	90.2	Very high	7 Å²	7	59 Å²	59	5%	0.045	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-60.8	-19.9	-179	-26.2	37.3	0	0	0	114.9	P488 F577 G581 S583 R598	P488-P490 VanDerWaalsContact C-CD 3.42Å; P490-F577 HydrophobicContact CB-CD1 3.96Å; P490-F577 HydrophobicContact CB-CE1 3.54Å; P490-F577 HydrophobicContact CB-CE2 4.4Å; P490-F577 HydrophobicContact CB-CZ 3.79Å; P490-F577 HydrophobicContact CG-CE1 4.32Å; P490-F577 HydrophobicContact CG-CE2 4.36Å; P490-F577 HydrophobicContact CG-CZ 4.07Å; P490-G581 WeakPolarHBondContact CB-O 3.4Å; P490-S583 WeakPolarHBondContact O-CB 3.5Å; P490-S583 PolarHBondContact O-N 3.26Å; P490-R598 PolarHBondContact O-NH2 3.28Å
491	Y	95	Very high	90.1	Very high	8 Å²	8	57.3 Å²	57.3	3%	0.031	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-106.1	-18.6	-170.7	-50.5	-64.7	0	0	0	113.1	N487 P488 E489 F495 I505 L513 E540 R541 F543 F574 F577	N487-Y491 WeakPolarHBondContact O-CE2 3.45Å; P488-Y491 PolarHBondContact O-N 3.25Å; E489-Y491 PolarHBondContact O-N 2.99Å; Y491-F495 WeakPolarHBondContact O-CE2 3.38Å; Y491-I505 WeakPolarHBondContact O-CG2 3.29Å; Y491-L513 HydrophobicContact CD2-CD1 4.07Å; Y491-L513 HydrophobicContact CG-CD1 4.13Å; Y491-E540 PolarHBondContact OH-O 3.39Å; Y491-R541 HydrophobicContact CE1-CG 4.47Å; Y491-F543 HydrophobicContact CD1-CE2 4.17Å; Y491-F543 HydrophobicContact CD2-CE2 4.16Å; Y491-F543 AromaticContact CD2-CZ 3.8Å; Y491-F543 HydrophobicContact CD2-CZ 3.8Å; Y491-F543 AromaticContact CE1-CE2 3.98Å; Y491-F543 HydrophobicContact CE1-CE2 3.98Å; Y491-F543 AromaticContact CE2-CE2 3.96Å; Y491-F543 HydrophobicContact CE2-CE2 3.96Å; Y491-F543 AromaticContact CE2-CZ 3.73Å; Y491-F543 HydrophobicContact CE2-CZ 3.73Å; Y491-F543 HydrophobicContact CG-CE2 4.25Å; Y491-F543 HydrophobicContact CG-CZ 4.23Å; Y491-F543 AromaticContact CZ-CE2 3.85Å; Y491-F574 HydrophobicContact CD1-CB 3.9Å; Y491-F574 AromaticContact CD1-CD1 3.65Å; Y491-F574 HydrophobicContact CD1-CD1 3.65Å; Y491-F574 AromaticContact CD1-CD2 3.8Å; Y491-F574 HydrophobicContact CD1-CD2 3.8Å; Y491-F574 HydrophobicContact CD1-CE1 4.06Å; Y491-F574 HydrophobicContact CD1-CE2 4.2Å; Y491-F574 AromaticContact CD1-CG 3.49Å; Y491-F574 HydrophobicContact CD1-CG 3.49Å; Y491-F574 VanDerWaalsContact CD1-CG 3.49Å; Y491-F574 HydrophobicContact CD1-CZ 4.31Å; Y491-F574 HydrophobicContact CE1-CB 3.72Å; Y491-F574 HydrophobicContact CE1-CD1 4.36Å; Y491-F574 HydrophobicContact CE1-CD2 4.09Å; Y491-F574 AromaticContact CE1-CG 3.8Å; Y491-F574 HydrophobicContact CE1-CG 3.8Å; Y491-F577 AromaticContact CE1-CE1 3.74Å; Y491-F577 HydrophobicContact CE1-CE1 3.74Å; Y491-F577 HydrophobicContact CE1-CZ 4.14Å; Y491-F577 AromaticContact CZ-CE1 3.98Å; Y491-F577 AromaticContact CZ-CZ 3.89Å; Y491-F577 WeakPolarHBondContact OH-CZ 3.49Å
492	I	95.4	Very high	90.4	Very high	46 Å²	46	51 Å²	51	24%	0.236	29%	0.287	C	S	.	.			trans	-71	137.1	-179.7	-64.2	166.4	0	0	0	109.8	P488 E489 I505 V507 L513 R598	P488-I492 HydrophobicContact CB-CD1 4.23Å; P488-I492 WeakPolarHBondContact O-CG1 3.26Å; P488-I492 PolarHBondContact O-N 2.9Å; E489-I492 PolarHBondContact O-N 3.42Å; I492-I505 WeakPolarHBondContact CA-O 3.46Å; I492-I505 WeakPolarHBondContact CG2-O 3.41Å; I492-V507 HydrophobicContact CD1-CG2 3.51Å; I492-V507 HydrophobicContact CG1-CG2 4.14Å; I492-L513 HydrophobicContact CG1-CD2 4.14Å; I492-R598 VanDerWaalsContact O-CZ 3.26Å; I492-R598 PolarHBondContact O-NH1 2.97Å; I492-R598 PolarHBondContact O-NH2 3.05Å
493	G	95.1	Very high	90.6	Very high	15 Å²	15	50.5 Å²	50.5	16%	0.155	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.4	-164.8	173.8	0	0	0	0	0	114.1	I505	G493-I505 PolarHBondContact N-O 3.4Å; G493-I505 PolarHBondContact O-N 3.39Å
494	F	95.7	Very high	90.8	Very high	46 Å²	46	48.5 Å²	48.5	20%	0.202	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.9	178.3	-59.1	-74.2	0	0	0	110.2	Y503 E504 F518 R598 I599 R602	F494-Y503 CarbonylContact C-O 3.57Å; F494-Y503 WeakPolarHBondContact CA-O 3.28Å; F494-E504 HydrophobicContact CD1-CB 4.13Å; F494-E504 HydrophobicContact CD1-CG 4.21Å; F494-E504 HydrophobicContact CE1-CB 4.05Å; F494-E504 HydrophobicContact CE1-CG 3.75Å; F494-E504 WeakPolarHBondContact CE1-OE1 3.36Å; F494-F518 HydrophobicContact CD1-CE1 4.1Å; F494-F518 HydrophobicContact CD1-CZ 4.03Å; F494-R598 CarbonylContact O-C 3.55Å; F494-R598 WeakPolarHBondContact O-CA 3.33Å; F494-I599 HydrophobicContact CB-CD1 3.98Å; F494-I599 HydrophobicContact CB-CG1 3.46Å; F494-I599 VanDerWaalsContact CB-CG1 3.46Å; F494-I599 PolarHBondContact O-N 3.03Å; F494-R602 HydrophobicContact CD1-CB 4.04Å; F494-R602 HydrophobicContact CD1-CG 4.14Å; F494-R602 HydrophobicContact CD2-CB 4.35Å; F494-R602 HydrophobicContact CE1-CB 3.67Å; F494-R602 HydrophobicContact CE1-CG 3.75Å; F494-R602 HydrophobicContact CE2-CB 4.01Å; F494-R602 HydrophobicContact CG-CB 4.38Å; F494-R602 HydrophobicContact CZ-CB 3.66Å; F494-R602 HydrophobicContact CZ-CG 4.21Å
495	F	93.9	Very high	90.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.3	-179.6	-58.9	-98.8	0	0	0	110.8	Y491 F502 Y503 I505 F574 F586 V596 V597 R598	Y491-F495 WeakPolarHBondContact O-CE2 3.38Å; F495-F502 WeakPolarHBondContact O-CA 3.31Å; F495-Y503 HydrophobicContact CB-CD2 4.43Å; F495-Y503 PolarHBondContact N-O 2.87Å; F495-Y503 PolarHBondContact O-N 3.24Å; F495-I505 HydrophobicContact CD2-CD1 3.84Å; F495-I505 HydrophobicContact CD2-CG1 3.94Å; F495-I505 HydrophobicContact CE2-CB 4.12Å; F495-I505 HydrophobicContact CE2-CD1 3.63Å; F495-I505 HydrophobicContact CE2-CG1 3.9Å; F495-I505 HydrophobicContact CZ-CD1 4.32Å; F495-F574 HydrophobicContact CE1-CE1 4.46Å; F495-F574 HydrophobicContact CZ-CE1 4.17Å; F495-F586 HydrophobicContact CB-CE1 4.25Å; F495-F586 HydrophobicContact CD1-CD1 4.12Å; F495-F586 HydrophobicContact CD1-CE1 4.06Å; F495-F586 HydrophobicContact CE1-CD1 4.32Å; F495-F586 HydrophobicContact CG-CE1 4.04Å; F495-V596 HydrophobicContact CB-CG1 3.74Å; F495-V597 CarbonylContact C-O 3.52Å; F495-V597 WeakPolarHBondContact CA-O 3.22Å; F495-R598 HydrophobicContact CD1-CB 3.88Å; F495-R598 HydrophobicContact CE1-CB 3.73Å; F495-R598 HydrophobicContact CE1-CG 4.24Å; F495-R598 HydrophobicContact CZ-CB 4.49Å
496	T	91	Very high	91.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.5	176.3	-169.7	0	0	0	0	112.4	N499 T501 F502 V597 I599	T496-N499 WeakPolarHBondContact CG2-OD1 3.48Å; T496-N499 VanDerWaalsContact OG1-CA 3.28Å; T496-N499 WeakPolarHBondContact OG1-CA 3.3Å; T496-N499 PolarHBondContact OG1-N 2.74Å; T496-T501 CarbonylContact C-O 3.57Å; T496-T501 WeakPolarHBondContact CA-O 3.32Å; T496-T501 PolarHBondContact OG1-O 3.47Å; T496-F502 WeakPolarHBondContact OG1-CD1 3.47Å; T496-F502 WeakPolarHBondContact OG1-CE1 3.38Å; T496-V597 HydrophobicContact CG2-CG2 3.78Å; T496-V597 PolarHBondContact N-O 3.45Å; T496-V597 PolarHBondContact O-N 3.11Å; T496-I599 HydrophobicContact CG2-CG2 3.66Å
497	Y	87	Confident	91.2	Very high	66 Å²	66	47.6 Å²	47.6	26%	0.259	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115	165.7	178.7	-106.4	0	0	0	109.1	N499 I500 T501 N592 T593 Y594 V596	Y497-N499 PolarHBondContact O-N 2.94Å; Y497-I500 PolarHBondContact O-N 3.38Å; Y497-T501 PolarHBondContact N-O 3.08Å; Y497-T501 PolarHBondContact O-N 2.95Å; Y497-N592 PolarHBondContact OH-O 3.34Å; Y497-T593 HydrophobicContact CD1-CG2 3.97Å; Y497-T593 HydrophobicContact CD2-CG2 3.91Å; Y497-T593 HydrophobicContact CE1-CG2 4Å; Y497-T593 HydrophobicContact CE2-CG2 3.93Å; Y497-T593 HydrophobicContact CG-CG2 3.92Å; Y497-Y594 VanDerWaalsContact CE2-O 3.27Å; Y497-Y594 WeakPolarHBondContact CE2-O 3.28Å; Y497-V596 HydrophobicContact CD2-CG2 4.27Å
498	S	82.4	Confident	91.2	Very high	77 Å²	77	43.8 Å²	43.8	54%	0.538	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	25.3	177	-59.8	0	0	0	0	115.2	I500	S498-I500 WeakPolarHBondContact O-CG1 3.27Å; S498-I500 PolarHBondContact O-N 2.92Å; S498-I500 VanDerWaalsContact O-N 3.1Å
499	N	81.7	Confident	91	Very high	120 Å²	120	48.9 Å²	48.9	64%	0.642	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	18.6	-171.6	-70.3	-21.9	0	0	0	114.6	T496 Y497 F502	T496-N499 WeakPolarHBondContact CG2-OD1 3.48Å; T496-N499 VanDerWaalsContact OG1-CA 3.28Å; T496-N499 WeakPolarHBondContact OG1-CA 3.3Å; T496-N499 PolarHBondContact OG1-N 2.74Å; Y497-N499 PolarHBondContact O-N 2.94Å; N499-F502 WeakPolarHBondContact O-CZ 3.03Å
500	I	78.6	Confident	90.7	Very high	125 Å²	125	46.8 Å²	46.8	64%	0.641	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-45.3	-179.7	-65.2	162.4	0	0	0	109.9	Y497 S498	Y497-I500 PolarHBondContact O-N 3.38Å; S498-I500 WeakPolarHBondContact O-CG1 3.27Å; S498-I500 PolarHBondContact O-N 2.92Å; S498-I500 VanDerWaalsContact O-N 3.1Å
501	T	81.3	Confident	90.5	Very high	24 Å²	24	47.7 Å²	47.7	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.9	-178.5	-46	0	0	0	0	109.8	T496 Y497 Y503	T496-T501 CarbonylContact C-O 3.57Å; T496-T501 WeakPolarHBondContact CA-O 3.32Å; T496-T501 PolarHBondContact OG1-O 3.47Å; Y497-T501 PolarHBondContact N-O 3.08Å; Y497-T501 PolarHBondContact O-N 2.95Å; T501-Y503 HydrophobicContact CG2-CE1 3.98Å; T501-Y503 HydrophobicContact CG2-CE2 4.01Å; T501-Y503 WeakPolarHBondContact CG2-OH 3.5Å
502	F	89.8	Confident	90.4	Very high	19 Å²	19	47.5 Å²	47.5	8%	0.083	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.2	-177.8	-57.5	-89.5	0	0	0	111	F495 T496 N499 Q517 F518 I599 P603 F605	F495-F502 WeakPolarHBondContact O-CA 3.31Å; T496-F502 WeakPolarHBondContact OG1-CD1 3.47Å; T496-F502 WeakPolarHBondContact OG1-CE1 3.38Å; N499-F502 WeakPolarHBondContact O-CZ 3.03Å; F502-Q517 WeakPolarHBondContact O-CA 3.48Å; F502-F518 HydrophobicContact CB-CD1 4.21Å; F502-F518 HydrophobicContact CB-CD2 4.06Å; F502-F518 HydrophobicContact CB-CE1 3.82Å; F502-F518 HydrophobicContact CB-CE2 3.65Å; F502-F518 HydrophobicContact CB-CG 4.32Å; F502-F518 HydrophobicContact CB-CZ 3.52Å; F502-F518 HydrophobicContact CG-CE2 4.33Å; F502-F518 HydrophobicContact CG-CZ 4.43Å; F502-F518 PolarHBondContact O-N 2.84Å; F502-I599 HydrophobicContact CD1-CD1 4.01Å; F502-I599 HydrophobicContact CE1-CD1 4.37Å; F502-P603 HydrophobicContact CD1-CG 3.44Å; F502-P603 VanDerWaalsContact CD1-CG 3.44Å; F502-P603 HydrophobicContact CE1-CB 4.3Å; F502-P603 HydrophobicContact CE1-CG 3.6Å; F502-P603 HydrophobicContact CG-CG 3.98Å; F502-P603 HydrophobicContact CZ-CG 4.27Å; F502-F605 AromaticContact CD2-CE1 3.99Å; F502-F605 HydrophobicContact CD2-CE1 3.99Å; F502-F605 AromaticContact CD2-CZ 3.55Å; F502-F605 HydrophobicContact CD2-CZ 3.55Å; F502-F605 AromaticContact CE2-CE1 3.58Å; F502-F605 HydrophobicContact CE2-CE1 3.58Å; F502-F605 AromaticContact CE2-CZ 3.63Å; F502-F605 HydrophobicContact CE2-CZ 3.63Å; F502-F605 HydrophobicContact CG-CZ 4.19Å; F502-F605 HydrophobicContact CZ-CE1 4.2Å; F502-F605 HydrophobicContact CZ-CZ 4.32Å
503	Y	91.8	Very high	90.4	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.082	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135	-175.5	-49.6	-90	0	0	0	109.7	F494 F495 T501 M515 Q516 Q517 F518 V596	F494-Y503 CarbonylContact C-O 3.57Å; F494-Y503 WeakPolarHBondContact CA-O 3.28Å; F495-Y503 HydrophobicContact CB-CD2 4.43Å; F495-Y503 PolarHBondContact N-O 2.87Å; F495-Y503 PolarHBondContact O-N 3.24Å; T501-Y503 HydrophobicContact CG2-CE1 3.98Å; T501-Y503 HydrophobicContact CG2-CE2 4.01Å; T501-Y503 WeakPolarHBondContact CG2-OH 3.5Å; Y503-M515 HydrophobicContact CD1-CE 4.2Å; Y503-M515 HydrophobicContact CD1-CG 4.1Å; Y503-M515 HydrophobicContact CD1-SD 3.73Å; Y503-M515 HydrophobicContact CE1-CE 4.47Å; Y503-M515 HydrophobicContact CE1-SD 4.44Å; Y503-M515 HydrophobicContact CG-CG 4.49Å; Y503-M515 HydrophobicContact CG-SD 4.16Å; Y503-Q516 WeakPolarHBondContact CA-O 3.28Å; Y503-Q517 HydrophobicContact CD1-CG 3.67Å; Y503-Q517 HydrophobicContact CE1-CG 3.62Å; Y503-F518 VanDerWaalsContact C-CE1 3.46Å; Y503-V596 HydrophobicContact CD2-CG1 4.2Å; Y503-V596 HydrophobicContact CE2-CG1 4.33Å
504	E	94.9	Very high	90.4	Very high	36 Å²	36	45.6 Å²	45.6	17%	0.168	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.9	168	178.9	-178	-117.6	0	0	107.7	F494 K506 M515 Q516 F518	F494-E504 HydrophobicContact CD1-CB 4.13Å; F494-E504 HydrophobicContact CD1-CG 4.21Å; F494-E504 HydrophobicContact CE1-CB 4.05Å; F494-E504 HydrophobicContact CE1-CG 3.75Å; F494-E504 WeakPolarHBondContact CE1-OE1 3.36Å; E504-K506 IonicContact OE2-NZ 2.86Å; E504-K506 PolarHBondContact OE2-NZ 3.17Å; E504-M515 CarbonylContact O-C 3.47Å; E504-M515 WeakPolarHBondContact O-CA 3.48Å; E504-Q516 PolarHBondContact N-O 3.09Å; E504-Q516 PolarHBondContact O-N 2.96Å; E504-F518 HydrophobicContact CB-CD1 4.1Å; E504-F518 HydrophobicContact CB-CE1 3.9Å
505	I	95.4	Very high	90.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.4	173.3	-57.1	-174.7	0	0	0	108.5	Y491 I492 G493 F495 L513 I514 M515 L535 F574 F586	Y491-I505 WeakPolarHBondContact O-CG2 3.29Å; I492-I505 WeakPolarHBondContact CA-O 3.46Å; I492-I505 WeakPolarHBondContact CG2-O 3.41Å; G493-I505 PolarHBondContact N-O 3.4Å; G493-I505 PolarHBondContact O-N 3.39Å; F495-I505 HydrophobicContact CD2-CD1 3.84Å; F495-I505 HydrophobicContact CD2-CG1 3.94Å; F495-I505 HydrophobicContact CE2-CB 4.12Å; F495-I505 HydrophobicContact CE2-CD1 3.63Å; F495-I505 HydrophobicContact CE2-CG1 3.9Å; F495-I505 HydrophobicContact CZ-CD1 4.32Å; I505-L513 HydrophobicContact CG2-CB 4.31Å; I505-L513 HydrophobicContact CG2-CD1 4.38Å; I505-L513 HydrophobicContact CG2-CD2 4.26Å; I505-I514 WeakPolarHBondContact CA-O 3.48Å; I505-M515 HydrophobicContact CD1-CG 4.42Å; I505-M515 HydrophobicContact CD1-SD 4.44Å; I505-M515 HydrophobicContact CG1-CB 4.09Å; I505-M515 HydrophobicContact CG1-CG 3.93Å; I505-L535 HydrophobicContact CD1-CD1 4.22Å; I505-L535 HydrophobicContact CG2-CD1 4.4Å; I505-F574 HydrophobicContact CD1-CE1 3.96Å; I505-F574 HydrophobicContact CD1-CZ 3.69Å; I505-F586 HydrophobicContact CD1-CE1 4.14Å
506	K	95.9	Very high	90.1	Very high	78 Å²	78	44.9 Å²	44.9	34%	0.339	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.4	-180	61.8	-170	168.8	-150.5	0	111.4	E504 L513 I514	E504-K506 IonicContact OE2-NZ 2.86Å; E504-K506 PolarHBondContact OE2-NZ 3.17Å; K506-L513 WeakPolarHBondContact O-CA 3.26Å; K506-I514 PolarHBondContact N-O 3.26Å; K506-I514 PolarHBondContact O-N 3.11Å
507	V	95.9	Very high	90	Very high	66 Å²	66	45.8 Å²	45.8	40%	0.4	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.2	174.5	-172.1	0	0	0	0	109.2	P488 I492 L513	P488-V507 HydrophobicContact CB-CG2 3.85Å; P488-V507 HydrophobicContact CG-CG2 4.02Å; I492-V507 HydrophobicContact CD1-CG2 3.51Å; I492-V507 HydrophobicContact CG1-CG2 4.14Å; V507-L513 HydrophobicContact CG2-CD2 4.1Å
508	G	91.4	Very high	90.1	Very high	10 Å²	10	43 Å²	43	10%	0.103	25%	0.245	C	C	.	.			trans	-75.6	170.2	173.2	0	0	0	0	0	113.1	D510 G511 V512 I514	G508-D510 PolarHBondContact O-N 3.02Å; G508-G511 PolarHBondContact O-N 3.09Å; G508-V512 WeakPolarHBondContact CA-O 3.3Å; G508-V512 PolarHBondContact N-O 3.22Å; G508-I514 VanDerWaalsContact CA-CD1 3.43Å
509	P	89.3	Confident	90.2	Very high	139 Å²	139	39.6 Å²	39.6	90%	0.903	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.5	179.1	27	-34.6	0	0	0	113.4
510	D	87.8	Confident	90.1	Very high	77 Å²	77	37.4 Å²	37.4	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	6.7	175.9	52.7	1.6	0	0	0	113.1	G508 V512 K534	G508-D510 PolarHBondContact O-N 3.02Å; D510-V512 HydrophobicContact CB-CG2 4.5Å; D510-V512 PolarHBondContact O-N 3.37Å; D510-V512 PolarHBondContact OD1-N 3.39Å; D510-K534 IonicContact OD2-NZ 3.09Å; D510-K534 PolarHBondContact OD2-NZ 3.44Å
511	G	90.5	Very high	90.1	Very high	27 Å²	27	38.4 Å²	38.4	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	77.5	-7.9	-176.4	0	0	0	0	0	114.2	A484 G508	A484-G511 WeakPolarHBondContact CB-O 3.21Å; G508-G511 PolarHBondContact O-N 3.09Å
512	V	94.1	Very high	90	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.018	22%	0.217	C	C	.	.			trans	-78.2	140.2	177.4	-177.9	0	0	0	0	108.7	L482 A484 G508 D510 I514 K534 L535	L482-V512 HydrophobicContact CB-CG1 4.23Å; L482-V512 HydrophobicContact CB-CG2 3.93Å; L482-V512 HydrophobicContact CD1-CG1 4.31Å; A484-V512 HydrophobicContact CB-CG2 4.4Å; G508-V512 WeakPolarHBondContact CA-O 3.3Å; G508-V512 PolarHBondContact N-O 3.22Å; D510-V512 HydrophobicContact CB-CG2 4.5Å; D510-V512 PolarHBondContact O-N 3.37Å; D510-V512 PolarHBondContact OD1-N 3.39Å; V512-I514 PolarHBondContact O-N 3.36Å; V512-K534 HydrophobicContact CG1-CB 4.39Å; V512-L535 VanDerWaalsContact CG1-O 3.32Å; V512-L535 WeakPolarHBondContact CG1-O 3.49Å
513	L	95.1	Very high	89.7	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.3	177.8	-69.1	177.6	0	0	0	110.4	P488 Y491 I492 I505 K506 V507 L535 F543	P488-L513 HydrophobicContact CB-CD2 3.82Å; Y491-L513 HydrophobicContact CD2-CD1 4.07Å; Y491-L513 HydrophobicContact CG-CD1 4.13Å; I492-L513 HydrophobicContact CG1-CD2 4.14Å; I505-L513 HydrophobicContact CG2-CB 4.31Å; I505-L513 HydrophobicContact CG2-CD1 4.38Å; I505-L513 HydrophobicContact CG2-CD2 4.26Å; K506-L513 WeakPolarHBondContact O-CA 3.26Å; V507-L513 HydrophobicContact CG2-CD2 4.1Å; L513-L535 HydrophobicContact CB-CB 4.04Å; L513-L535 HydrophobicContact CB-CD1 4.22Å; L513-L535 PolarHBondContact O-N 3.39Å; L513-F543 HydrophobicContact CD1-CE1 3.8Å; L513-F543 HydrophobicContact CD1-CZ 3.91Å
514	I	94.4	Very high	89.3	Confident	21 Å²	21	49.1 Å²	49.1	11%	0.108	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.6	175.1	-61.4	179.3	0	0	0	107.6	I505 K506 G508 V512 T532 I533	I505-I514 WeakPolarHBondContact CA-O 3.48Å; K506-I514 PolarHBondContact N-O 3.26Å; K506-I514 PolarHBondContact O-N 3.11Å; G508-I514 VanDerWaalsContact CA-CD1 3.43Å; V512-I514 PolarHBondContact O-N 3.36Å; I514-T532 HydrophobicContact CG2-CG2 3.35Å; I514-I533 WeakPolarHBondContact CA-O 3.41Å
515	M	92.2	Very high	88.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.6	170.8	-177.2	177.8	69.2	0	0	109.4	Y503 E504 I505 I533 L535 F572 F586	Y503-M515 HydrophobicContact CD1-CE 4.2Å; Y503-M515 HydrophobicContact CD1-CG 4.1Å; Y503-M515 HydrophobicContact CD1-SD 3.73Å; Y503-M515 HydrophobicContact CE1-CE 4.47Å; Y503-M515 HydrophobicContact CE1-SD 4.44Å; Y503-M515 HydrophobicContact CG-CG 4.49Å; Y503-M515 HydrophobicContact CG-SD 4.16Å; E504-M515 CarbonylContact O-C 3.47Å; E504-M515 WeakPolarHBondContact O-CA 3.48Å; I505-M515 HydrophobicContact CD1-CG 4.42Å; I505-M515 HydrophobicContact CD1-SD 4.44Å; I505-M515 HydrophobicContact CG1-CB 4.09Å; I505-M515 HydrophobicContact CG1-CG 3.93Å; M515-I533 HydrophobicContact CE-CD1 3.93Å; M515-I533 PolarHBondContact N-O 3.45Å; M515-I533 PolarHBondContact O-N 3.35Å; M515-L535 HydrophobicContact CB-CD1 4.21Å; M515-L535 HydrophobicContact CB-CG 4.33Å; M515-F572 HydrophobicContact CE-CE2 3.55Å; M515-F572 HydrophobicContact CE-CZ 3.84Å; M515-F572 HydrophobicContact SD-CE2 3.73Å; M515-F586 HydrophobicContact SD-CZ 3.97Å
516	Q	91.6	Very high	88	Confident	29 Å²	29	51.2 Å²	51.2	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.7	179.5	-172.2	169.4	8	0	0	110.4	Y503 E504 R531	Y503-Q516 WeakPolarHBondContact CA-O 3.28Å; E504-Q516 PolarHBondContact N-O 3.09Å; E504-Q516 PolarHBondContact O-N 2.96Å; Q516-R531 WeakPolarHBondContact CA-O 3.35Å
517	Q	89	Confident	87.4	Confident	19 Å²	19	50.3 Å²	50.3	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.5	172.7	-61.9	-178.6	10.4	0	0	111	F502 Y503 I522 R531	F502-Q517 WeakPolarHBondContact O-CA 3.48Å; Y503-Q517 HydrophobicContact CD1-CG 3.67Å; Y503-Q517 HydrophobicContact CE1-CG 3.62Å; Q517-I522 HydrophobicContact CB-CG2 4.03Å; Q517-R531 HydrophobicContact CB-CB 4.15Å; Q517-R531 HydrophobicContact CB-CG 4.39Å; Q517-R531 PolarHBondContact N-O 2.59Å
518	F	88.4	Confident	86.8	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	164.3	179.1	70.7	-90	0	0	0	112.7	F494 F502 Y503 E504 R602 P603 F605	F494-F518 HydrophobicContact CD1-CE1 4.1Å; F494-F518 HydrophobicContact CD1-CZ 4.03Å; F502-F518 HydrophobicContact CB-CD1 4.21Å; F502-F518 HydrophobicContact CB-CD2 4.06Å; F502-F518 HydrophobicContact CB-CE1 3.82Å; F502-F518 HydrophobicContact CB-CE2 3.65Å; F502-F518 HydrophobicContact CB-CG 4.32Å; F502-F518 HydrophobicContact CB-CZ 3.52Å; F502-F518 HydrophobicContact CG-CE2 4.33Å; F502-F518 HydrophobicContact CG-CZ 4.43Å; F502-F518 PolarHBondContact O-N 2.84Å; Y503-F518 VanDerWaalsContact C-CE1 3.46Å; E504-F518 HydrophobicContact CB-CD1 4.1Å; E504-F518 HydrophobicContact CB-CE1 3.9Å; F518-R602 HydrophobicContact CE2-CG 3.98Å; F518-R602 HydrophobicContact CZ-CG 4.01Å; F518-P603 HydrophobicContact CE2-CG 4.02Å; F518-P603 HydrophobicContact CZ-CG 4.3Å; F518-F605 HydrophobicContact CD2-CE2 4.12Å; F518-F605 HydrophobicContact CE2-CE2 4.17Å; F518-F605 HydrophobicContact CE2-CZ 4.48Å
519	G	84.9	Confident	86.3	Confident	6 Å²	6	59.1 Å²	59.1	6%	0.062	31%	0.313	C	S	.	.	S	Bend	trans	130.1	147.6	-178.4	0	0	0	0	0	111.9	Q521 I522 E523	G519-Q521 VanDerWaalsContact C-N 3.32Å; G519-Q521 PolarHBondContact O-N 2.98Å; G519-Q521 VanDerWaalsContact O-N 3.09Å; G519-I522 PolarHBondContact O-N 3.23Å; G519-E523 WeakPolarHBondContact O-CG 3.34Å; G519-E523 PolarHBondContact O-N 3.26Å
520	P	80.1	Confident	86.1	Confident	74 Å²	74	53.6 Å²	53.6	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-52.2	-44.5	-161.8	15.2	-29.9	0	0	0	114	E524 F605	P520-E524 PolarHBondContact O-N 3.23Å; P520-F605 HydrophobicContact CG-CB 3.97Å; P520-F605 HydrophobicContact CG-CD1 3.94Å; P520-F605 HydrophobicContact CG-CD2 4.45Å; P520-F605 HydrophobicContact CG-CG 3.86Å
521	Q	77.9	Confident	85.9	Confident	145 Å²	145	51 Å²	51	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-70	-38.8	177.9	-64.6	-173.2	-2.3	0	0	113.2	G519 L525	G519-Q521 VanDerWaalsContact C-N 3.32Å; G519-Q521 PolarHBondContact O-N 2.98Å; G519-Q521 VanDerWaalsContact O-N 3.09Å; Q521-L525 HydrophobicContact CB-CD1 4.46Å; Q521-L525 VanDerWaalsContact O-CB 3.31Å; Q521-L525 WeakPolarHBondContact O-CB 3.37Å; Q521-L525 WeakPolarHBondContact O-CD1 3.27Å; Q521-L525 WeakPolarHBondContact O-CG 3.37Å; Q521-L525 PolarHBondContact O-N 3.04Å; Q521-L525 VanDerWaalsContact O-N 3.08Å
522	I	80	Confident	85.9	Confident	32 Å²	32	51.9 Å²	51.9	16%	0.164	26%	0.258	C	S	.	.	H	α-helix	trans	-72.4	-37.7	-177.3	-69.1	-66.5	0	0	0	110.8	Q517 G519 E524 L525 I526 R531	Q517-I522 HydrophobicContact CB-CG2 4.03Å; G519-I522 PolarHBondContact O-N 3.23Å; I522-E524 VanDerWaalsContact C-N 3.33Å; I522-L525 PolarHBondContact O-N 2.87Å; I522-I526 HydrophobicContact CD1-CD1 3.94Å; I522-I526 HydrophobicContact CG2-CD1 4.3Å; I522-I526 WeakPolarHBondContact O-CB 3.2Å; I522-I526 PolarHBondContact O-N 2.75Å; I522-R531 VanDerWaalsContact CG2-CD 3.46Å; I522-R531 HydrophobicContact CG2-CG 4.16Å
523	E	83.9	Confident	85.7	Confident	91 Å²	91	51.8 Å²	51.8	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-69.5	-32.3	179.7	-53.1	-163.1	134.6	0	0	112.9	G519 R531	G519-E523 WeakPolarHBondContact O-CG 3.34Å; G519-E523 PolarHBondContact O-N 3.26Å; E523-R531 VanDerWaalsContact CG-NH1 3.32Å; E523-R531 PolarHBondContact O-NH2 3.23Å; E523-R531 IonicContact OE1-NH1 3.57Å
524	E	82.8	Confident	85.5	Confident	166 Å²	166	53.6 Å²	53.6	78%	0.776	27%	0.265	S	S	*	.	H	α-helix	trans	-74	-42	174.4	-172.9	179.6	-177.2	0	0	112.2	P520 I522	P520-E524 PolarHBondContact O-N 3.23Å; I522-E524 VanDerWaalsContact C-N 3.33Å
525	L	81.3	Confident	85.5	Confident	71 Å²	71	52.7 Å²	52.7	37%	0.372	26%	0.261	S	S	.	.	H	α-helix	trans	-91.6	-24	-169.3	-61.7	167.5	0	0	0	114.5	Q521 I522 V557	Q521-L525 HydrophobicContact CB-CD1 4.46Å; Q521-L525 VanDerWaalsContact O-CB 3.31Å; Q521-L525 WeakPolarHBondContact O-CB 3.37Å; Q521-L525 WeakPolarHBondContact O-CD1 3.27Å; Q521-L525 WeakPolarHBondContact O-CG 3.37Å; Q521-L525 PolarHBondContact O-N 3.04Å; Q521-L525 VanDerWaalsContact O-N 3.08Å; I522-L525 PolarHBondContact O-N 2.87Å; L525-V557 HydrophobicContact CB-CG1 3.69Å; L525-V557 HydrophobicContact CD1-CG1 3.63Å; L525-V557 HydrophobicContact CG-CG1 4.21Å
526	I	81.4	Confident	85.6	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.062	27%	0.265	C	S	.	.	S	Bend	trans	-118.9	123.6	-174.7	-52.5	-174.7	0	0	0	109.7	I522 R531 L555 V557	I522-I526 HydrophobicContact CD1-CD1 3.94Å; I522-I526 HydrophobicContact CG2-CD1 4.3Å; I522-I526 WeakPolarHBondContact O-CB 3.2Å; I522-I526 PolarHBondContact O-N 2.75Å; I526-R531 HydrophobicContact CB-CG 3.68Å; I526-R531 HydrophobicContact CG2-CG 3.38Å; I526-R531 WeakPolarHBondContact O-CD 3.16Å; I526-R531 PolarHBondContact O-NE 3.07Å; I526-R531 PolarHBondContact O-NH2 3.4Å; I526-L555 HydrophobicContact CB-CD2 4.21Å; I526-L555 HydrophobicContact CD1-CD2 4.07Å; I526-L555 HydrophobicContact CG1-CD2 3.85Å; I526-L555 HydrophobicContact CG2-CD2 3.62Å; I526-V557 HydrophobicContact CD1-CG2 4.22Å; I526-V557 HydrophobicContact CG1-CG2 4.04Å
527	P	83.9	Confident	85.7	Confident	59 Å²	59	54.2 Å²	54.2	38%	0.383	27%	0.267	S	S	.	.			trans	-56.2	141.9	171.8	-26.2	34	0	0	0	112.3	K529 Y530 R531	P527-K529 HydrophobicContact CB-CG 3.96Å; P527-K529 PolarHBondContact O-N 2.93Å; P527-K529 VanDerWaalsContact O-N 3.11Å; P527-Y530 HydrophobicContact CB-CD2 3.96Å; P527-Y530 HydrophobicContact CB-CE2 4.4Å; P527-Y530 HydrophobicContact CG-CD2 3.95Å; P527-Y530 HydrophobicContact CG-CE2 4.26Å; P527-Y530 PolarHBondContact O-N 3.01Å; P527-R531 PolarHBondContact O-N 2.75Å
528	E	83	Confident	85.9	Confident	119 Å²	119	57.1 Å²	57.1	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-52.6	-39.3	-177.6	-173.9	178.7	-172.5	0	0	113.1	Y530 R531 T532	E528-Y530 PolarHBondContact O-N 3Å; E528-R531 PolarHBondContact O-N 3.18Å; E528-T532 PolarHBondContact O-N 3.41Å; E528-T532 PolarHBondContact O-OG1 3.46Å
529	K	81.8	Confident	86.1	Confident	142 Å²	142	60.8 Å²	60.8	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-56.7	-22.3	176.5	58.8	167.7	169.2	165.6	0	114.9	P527	P527-K529 HydrophobicContact CB-CG 3.96Å; P527-K529 PolarHBondContact O-N 2.93Å; P527-K529 VanDerWaalsContact O-N 3.11Å
530	Y	83.1	Confident	86.4	Confident	22 Å²	22	66.9 Å²	66.9	9%	0.086	33%	0.332	C	S	.	.	H	α-helix	trans	-105.4	-8	178.4	-56.3	-46.4	0	0	0	112.8	P527 E528 P552 L555 L564	P527-Y530 HydrophobicContact CB-CD2 3.96Å; P527-Y530 HydrophobicContact CB-CE2 4.4Å; P527-Y530 HydrophobicContact CG-CD2 3.95Å; P527-Y530 HydrophobicContact CG-CE2 4.26Å; P527-Y530 PolarHBondContact O-N 3.01Å; E528-Y530 PolarHBondContact O-N 3Å; Y530-P552 HydrophobicContact CE2-CG 4.19Å; Y530-L555 HydrophobicContact CD2-CD1 4.17Å; Y530-L564 HydrophobicContact CD1-CD1 4.39Å; Y530-L564 HydrophobicContact CG-CD1 4.35Å
531	R	85.6	Confident	86.9	Confident	24 Å²	24	66.2 Å²	66.2	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-90.5	-18.1	173.9	-66.9	-172	-83.6	141.9	-17.1	113.2	Q516 Q517 I522 E523 I526 P527 E528	Q516-R531 WeakPolarHBondContact CA-O 3.35Å; Q517-R531 HydrophobicContact CB-CB 4.15Å; Q517-R531 HydrophobicContact CB-CG 4.39Å; Q517-R531 PolarHBondContact N-O 2.59Å; I522-R531 VanDerWaalsContact CG2-CD 3.46Å; I522-R531 HydrophobicContact CG2-CG 4.16Å; E523-R531 VanDerWaalsContact CG-NH1 3.32Å; E523-R531 PolarHBondContact O-NH2 3.23Å; E523-R531 IonicContact OE1-NH1 3.57Å; I526-R531 HydrophobicContact CB-CG 3.68Å; I526-R531 HydrophobicContact CG2-CG 3.38Å; I526-R531 WeakPolarHBondContact O-CD 3.16Å; I526-R531 PolarHBondContact O-NE 3.07Å; I526-R531 PolarHBondContact O-NH2 3.4Å; P527-R531 PolarHBondContact O-N 2.75Å; E528-R531 PolarHBondContact O-N 3.18Å
532	T	88.6	Confident	87.7	Confident	44 Å²	44	60.9 Å²	60.9	27%	0.27	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.3	-176.8	-58.6	0	0	0	0	109.9	I514 E528	I514-T532 HydrophobicContact CG2-CG2 3.35Å; E528-T532 PolarHBondContact O-N 3.41Å; E528-T532 PolarHBondContact O-OG1 3.46Å
533	I	89.8	Confident	88.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.9	-173.1	-49.7	167.7	0	0	0	109.6	I514 M515 V545 F547	I514-I533 WeakPolarHBondContact CA-O 3.41Å; M515-I533 HydrophobicContact CE-CD1 3.93Å; M515-I533 PolarHBondContact N-O 3.45Å; M515-I533 PolarHBondContact O-N 3.35Å; I533-V545 HydrophobicContact CG2-CG1 3.36Å; I533-F547 HydrophobicContact CD1-CE1 4.23Å; I533-F547 HydrophobicContact CD1-CZ 3.97Å; I533-F547 HydrophobicContact CG1-CD1 4.49Å; I533-F547 HydrophobicContact CG1-CE1 3.89Å; I533-F547 HydrophobicContact CG1-CZ 4.06Å
534	K	92.3	Very high	88.7	Confident	39 Å²	39	59.1 Å²	59.1	17%	0.17	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.2	175.6	-64.6	-165.5	178.2	-174.3	0	110.5	L482 D510 V512 V546 D548	L482-K534 HydrophobicContact CD1-CB 3.69Å; L482-K534 HydrophobicContact CD1-CD 3.48Å; L482-K534 VanDerWaalsContact CD1-CD 3.48Å; L482-K534 HydrophobicContact CD1-CG 4.23Å; D510-K534 IonicContact OD2-NZ 3.09Å; D510-K534 PolarHBondContact OD2-NZ 3.44Å; V512-K534 HydrophobicContact CG1-CB 4.39Å; K534-V546 PolarHBondContact N-O 3.03Å; K534-V546 PolarHBondContact O-N 3.22Å; K534-D548 IonicContact NZ-OD1 3.76Å
535	L	93.4	Very high	89.1	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	100.7	177.2	-58.2	-179.6	0	0	0	109	I505 V512 L513 M515 Y537 F543 V545 F572 F574	I505-L535 HydrophobicContact CD1-CD1 4.22Å; I505-L535 HydrophobicContact CG2-CD1 4.4Å; V512-L535 VanDerWaalsContact CG1-O 3.32Å; V512-L535 WeakPolarHBondContact CG1-O 3.49Å; L513-L535 HydrophobicContact CB-CB 4.04Å; L513-L535 HydrophobicContact CB-CD1 4.22Å; L513-L535 PolarHBondContact O-N 3.39Å; M515-L535 HydrophobicContact CB-CD1 4.21Å; M515-L535 HydrophobicContact CB-CG 4.33Å; L535-Y537 PolarHBondContact O-N 2.88Å; L535-F543 HydrophobicContact CB-CB 4.13Å; L535-F543 HydrophobicContact CB-CD1 3.91Å; L535-F543 HydrophobicContact CB-CG 4.29Å; L535-V545 HydrophobicContact CD2-CG2 4.41Å; L535-F572 HydrophobicContact CD2-CD2 4.03Å; L535-F572 HydrophobicContact CD2-CE2 4.28Å; L535-F574 HydrophobicContact CD1-CE2 4.45Å; L535-F574 HydrophobicContact CD1-CZ 4.32Å
536	N	94	Very high	89.4	Confident	20 Å²	20	48.5 Å²	48.5	11%	0.107	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.6	177.7	179.9	64.4	0	0	0	110.3	L482 V483 L538 F543 R544 V546	L482-N536 VanDerWaalsContact CA-OD1 3.26Å; L482-N536 WeakPolarHBondContact CA-OD1 3.38Å; L482-N536 HydrophobicContact CB-CB 4.48Å; L482-N536 HydrophobicContact CD2-CB 4.13Å; V483-N536 PolarHBondContact N-OD1 2.98Å; N536-L538 PolarHBondContact O-N 3.38Å; N536-F543 CarbonylContact O-C 3.55Å; N536-F543 VanDerWaalsContact O-CA 3.26Å; N536-F543 WeakPolarHBondContact O-CA 3.49Å; N536-R544 HydrophobicContact CB-CB 4.29Å; N536-R544 PolarHBondContact N-O 3.49Å; N536-R544 PolarHBondContact O-N 2.83Å; N536-V546 HydrophobicContact CB-CG2 3.9Å
537	Y	94.8	Very high	89.7	Confident	43 Å²	43	48.1 Å²	48.1	17%	0.169	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.2	177.9	-179.7	-101.9	0	0	0	110.9	V483 P486 L535 E540 F543	V483-Y537 HydrophobicContact CG1-CD1 4.04Å; V483-Y537 VanDerWaalsContact O-CB 3.28Å; V483-Y537 WeakPolarHBondContact O-CB 2.92Å; V483-Y537 PolarHBondContact O-N 2.97Å; P486-Y537 HydrophobicContact CG-CE1 4.23Å; L535-Y537 PolarHBondContact O-N 2.88Å; Y537-E540 VanDerWaalsContact CE2-O 3.31Å; Y537-E540 WeakPolarHBondContact CE2-O 3.36Å; Y537-E540 PolarHBondContact OH-N 2.8Å; Y537-F543 HydrophobicContact CD2-CD1 4.4Å; Y537-F543 AromaticContact CD2-CE1 3.76Å; Y537-F543 HydrophobicContact CD2-CE1 3.76Å; Y537-F543 HydrophobicContact CD2-CE2 4.37Å; Y537-F543 AromaticContact CD2-CZ 3.75Å; Y537-F543 HydrophobicContact CD2-CZ 3.75Å; Y537-F543 HydrophobicContact CE2-CZ 4.46Å; Y537-F543 HydrophobicContact CG-CE1 4.37Å
538	L	92.7	Very high	89.3	Confident	81 Å²	81	49.3 Å²	49.3	42%	0.424	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-63.9	172.6	-61.8	-175.3	0	0	0	110.6	N536 V542 R544 L571	N536-L538 PolarHBondContact O-N 3.38Å; L538-V542 HydrophobicContact CD1-CG1 4.28Å; L538-V542 PolarHBondContact N-O 2.85Å; L538-R544 HydrophobicContact CD1-CB 4.12Å; L538-R544 HydrophobicContact CD2-CB 4.24Å; L538-R544 HydrophobicContact CG-CB 4.19Å; L538-L571 HydrophobicContact CD1-CD2 3.49Å; L538-L571 VanDerWaalsContact CD1-CD2 3.49Å
539	V	92.9	Very high	89	Confident	84 Å²	84	51.3 Å²	51.3	51%	0.509	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	141.3	-176.7	64.2	0	0	0	0	109.7	R541 V542	V539-R541 PolarHBondContact O-N 3.29Å; V539-V542 HydrophobicContact CG1-CB 4.48Å; V539-V542 PolarHBondContact N-O 2.98Å; V539-V542 WeakPolarHBondContact O-CB 3.5Å; V539-V542 PolarHBondContact O-N 3.49Å
540	E	90.3	Very high	89.1	Confident	133 Å²	133	48.3 Å²	48.3	62%	0.621	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	-102.9	177.5	-68.1	179	-173.2	0	0	114.1	Y491 Y537	Y491-E540 PolarHBondContact OH-O 3.39Å; Y537-E540 VanDerWaalsContact CE2-O 3.31Å; Y537-E540 WeakPolarHBondContact CE2-O 3.36Å; Y537-E540 PolarHBondContact OH-N 2.8Å
541	R	92.4	Very high	89.1	Confident	60 Å²	60	47.4 Å²	47.4	23%	0.226	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	9.3	-176.9	-65.1	177.7	-66	120.7	3.8	112.4	Y491 V539 F574 F577	Y491-R541 HydrophobicContact CE1-CG 4.47Å; V539-R541 PolarHBondContact O-N 3.29Å; R541-F574 HydrophobicContact CB-CB 4.13Å; R541-F574 WeakPolarHBondContact CB-O 3.25Å; R541-F574 WeakPolarHBondContact CD-O 3.46Å; R541-F574 PolarHBondContact NH1-O 2.9Å; R541-F574 PolarHBondContact O-N 3.36Å; R541-F577 HydrophobicContact CG-CE1 4.16Å; R541-F577 HydrophobicContact CG-CZ 4.15Å
542	V	93.3	Very high	89.2	Confident	33 Å²	33	46.2 Å²	46.2	20%	0.2	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124	-173.9	-172.4	0	0	0	0	110.1	L538 V539 L571 F572	L538-V542 HydrophobicContact CD1-CG1 4.28Å; L538-V542 PolarHBondContact N-O 2.85Å; V539-V542 HydrophobicContact CG1-CB 4.48Å; V539-V542 PolarHBondContact N-O 2.98Å; V539-V542 WeakPolarHBondContact O-CB 3.5Å; V539-V542 PolarHBondContact O-N 3.49Å; V542-L571 HydrophobicContact CG1-CB 4.26Å; V542-L571 HydrophobicContact CG1-CD2 4.39Å; V542-F572 VanDerWaalsContact CA-O 3.31Å; V542-F572 WeakPolarHBondContact CA-O 3.32Å
543	F	93.8	Very high	89	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.9	177.5	-66.3	-102	0	0	0	110.1	Y491 L513 L535 N536 Y537 L571 F572 F574	Y491-F543 HydrophobicContact CD1-CE2 4.17Å; Y491-F543 HydrophobicContact CD2-CE2 4.16Å; Y491-F543 AromaticContact CD2-CZ 3.8Å; Y491-F543 HydrophobicContact CD2-CZ 3.8Å; Y491-F543 AromaticContact CE1-CE2 3.98Å; Y491-F543 HydrophobicContact CE1-CE2 3.98Å; Y491-F543 AromaticContact CE2-CE2 3.96Å; Y491-F543 HydrophobicContact CE2-CE2 3.96Å; Y491-F543 AromaticContact CE2-CZ 3.73Å; Y491-F543 HydrophobicContact CE2-CZ 3.73Å; Y491-F543 HydrophobicContact CG-CE2 4.25Å; Y491-F543 HydrophobicContact CG-CZ 4.23Å; Y491-F543 AromaticContact CZ-CE2 3.85Å; L513-F543 HydrophobicContact CD1-CE1 3.8Å; L513-F543 HydrophobicContact CD1-CZ 3.91Å; L535-F543 HydrophobicContact CB-CB 4.13Å; L535-F543 HydrophobicContact CB-CD1 3.91Å; L535-F543 HydrophobicContact CB-CG 4.29Å; N536-F543 CarbonylContact O-C 3.55Å; N536-F543 VanDerWaalsContact O-CA 3.26Å; N536-F543 WeakPolarHBondContact O-CA 3.49Å; Y537-F543 HydrophobicContact CD2-CD1 4.4Å; Y537-F543 AromaticContact CD2-CE1 3.76Å; Y537-F543 HydrophobicContact CD2-CE1 3.76Å; Y537-F543 HydrophobicContact CD2-CE2 4.37Å; Y537-F543 AromaticContact CD2-CZ 3.75Å; Y537-F543 HydrophobicContact CD2-CZ 3.75Å; Y537-F543 HydrophobicContact CE2-CZ 4.46Å; Y537-F543 HydrophobicContact CG-CE1 4.37Å; F543-L571 CarbonylContact O-C 3.59Å; F543-L571 WeakPolarHBondContact O-CA 3.31Å; F543-F572 HydrophobicContact CB-CB 4.43Å; F543-F572 PolarHBondContact N-O 3.31Å; F543-F572 PolarHBondContact O-N 3.09Å; F543-F574 AromaticContact CD2-CD2 3.58Å; F543-F574 HydrophobicContact CD2-CD2 3.58Å; F543-F574 AromaticContact CD2-CE2 3.61Å; F543-F574 HydrophobicContact CD2-CE2 3.61Å; F543-F574 AromaticContact CE2-CD2 3.79Å; F543-F574 HydrophobicContact CE2-CD2 3.79Å; F543-F574 AromaticContact CE2-CE2 3.92Å; F543-F574 HydrophobicContact CE2-CE2 3.92Å; F543-F574 HydrophobicContact CG-CE2 4.3Å
544	R	92.4	Very high	88.7	Confident	86 Å²	86	47.7 Å²	47.7	33%	0.325	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.8	170	-170.4	178.2	-176.3	-156.7	-7.9	109.3	E94 N536 L538 Q570 L571	E94-R544 IonicContact OE1-NH1 2.65Å; E94-R544 IonicContact OE2-NH1 3.72Å; E94-R544 IonicContact OE2-NH2 3.67Å; N536-R544 HydrophobicContact CB-CB 4.29Å; N536-R544 PolarHBondContact N-O 3.49Å; N536-R544 PolarHBondContact O-N 2.83Å; L538-R544 HydrophobicContact CD1-CB 4.12Å; L538-R544 HydrophobicContact CD2-CB 4.24Å; L538-R544 HydrophobicContact CG-CB 4.19Å; R544-Q570 CarbonylContact C-O 3.58Å; R544-Q570 WeakPolarHBondContact CA-O 3.36Å; R544-L571 HydrophobicContact CB-CD2 4.24Å; R544-L571 HydrophobicContact CG-CD2 4.39Å
545	V	89.9	Confident	88.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.7	172.5	-178.2	0	0	0	0	108.9	I533 L535 F547 Q567 G569 Q570 F572	I533-V545 HydrophobicContact CG2-CG1 3.36Å; L535-V545 HydrophobicContact CD2-CG2 4.41Å; V545-F547 HydrophobicContact CG1-CE2 4.27Å; V545-Q567 WeakPolarHBondContact CG1-O 3.36Å; V545-G569 VanDerWaalsContact O-CA 3.32Å; V545-G569 WeakPolarHBondContact O-CA 3.28Å; V545-G569 PolarHBondContact O-N 3.35Å; V545-Q570 HydrophobicContact CB-CB 4.49Å; V545-Q570 HydrophobicContact CG2-CB 4.19Å; V545-Q570 WeakPolarHBondContact CG2-O 3.46Å; V545-Q570 PolarHBondContact N-O 3.19Å; V545-F572 HydrophobicContact CG2-CD1 3.36Å; V545-F572 HydrophobicContact CG2-CD2 4.38Å; V545-F572 HydrophobicContact CG2-CE1 3.19Å; V545-F572 HydrophobicContact CG2-CE2 4.24Å; V545-F572 HydrophobicContact CG2-CG 3.98Å; V545-F572 HydrophobicContact CG2-CZ 3.68Å
546	V	88.9	Confident	87.6	Confident	13 Å²	13	55.5 Å²	55.5	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.6	178.7	-176.5	0	0	0	0	110.5	K480 L482 K534 N536	K480-V546 HydrophobicContact CD-CG1 3.93Å; L482-V546 HydrophobicContact CD1-CB 4.35Å; L482-V546 HydrophobicContact CD1-CG1 4.35Å; L482-V546 HydrophobicContact CD2-CB 4.38Å; L482-V546 HydrophobicContact CD2-CG1 4.12Å; L482-V546 HydrophobicContact CD2-CG2 4.1Å; K534-V546 PolarHBondContact N-O 3.03Å; K534-V546 PolarHBondContact O-N 3.22Å; N536-V546 HydrophobicContact CB-CG2 3.9Å
547	F	86.2	Confident	86.6	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.018	26%	0.261	C	S	.	.			trans	-83.5	134	166.3	-68.5	-95.9	0	0	0	110.4	K480 I533 V545 Y551 L564 Q567 D568	K480-F547 PolarHBondContact NZ-O 2.93Å; I533-F547 HydrophobicContact CD1-CE1 4.23Å; I533-F547 HydrophobicContact CD1-CZ 3.97Å; I533-F547 HydrophobicContact CG1-CD1 4.49Å; I533-F547 HydrophobicContact CG1-CE1 3.89Å; I533-F547 HydrophobicContact CG1-CZ 4.06Å; V545-F547 HydrophobicContact CG1-CE2 4.27Å; F547-Y551 HydrophobicContact CB-CD1 3.41Å; F547-Y551 VanDerWaalsContact CB-CD1 3.41Å; F547-Y551 HydrophobicContact CB-CE1 3.53Å; F547-Y551 HydrophobicContact CB-CG 4.49Å; F547-Y551 HydrophobicContact CD1-CD1 4.12Å; F547-Y551 HydrophobicContact CD1-CG 4.48Å; F547-Y551 HydrophobicContact CD2-CD1 4.19Å; F547-Y551 AromaticContact CD2-CE1 3.95Å; F547-Y551 HydrophobicContact CD2-CE1 3.95Å; F547-Y551 AromaticContact CG-CD1 3.65Å; F547-Y551 HydrophobicContact CG-CD1 3.65Å; F547-Y551 AromaticContact CG-CE1 3.82Å; F547-Y551 HydrophobicContact CG-CE1 3.82Å; F547-Y551 HydrophobicContact CG-CG 4.37Å; F547-L564 HydrophobicContact CE1-CD2 4.32Å; F547-L564 HydrophobicContact CZ-CB 4.48Å; F547-L564 HydrophobicContact CZ-CD2 4.12Å; F547-Q567 HydrophobicContact CE2-CB 3.96Å; F547-Q567 HydrophobicContact CZ-CB 4.21Å; F547-D568 HydrophobicContact CD2-CB 3.65Å; F547-D568 HydrophobicContact CE2-CB 4.02Å; F547-D568 PolarHBondContact N-OD1 3.46Å
548	D	76.5	Confident	85.7	Confident	84 Å²	84	56.5 Å²	56.5	45%	0.449	28%	0.284	S	S	.	.	S	Bend	trans	-71.4	-33.4	-172.6	-163.2	52.6	0	0	0	112.6	K534	K534-D548 IonicContact NZ-OD1 3.76Å
549	K	76.4	Confident	84.7	Confident	160 Å²	160	63.3 Å²	63.3	70%	0.696	31%	0.311	S	S	*	.	S	Bend	trans	-133.6	175.6	-175.8	-65.7	-172.1	178.8	-176.4	0	111.3	Y551	K549-Y551 WeakPolarHBondContact O-CD1 3.23Å
550	E	82.9	Confident	83.7	Confident	79 Å²	79	62.1 Å²	62.1	37%	0.369	31%	0.31	S	S	.	.			trans	-56.8	139.1	171.2	-62.4	-172.3	137.4	0	0	112.1	M88 C89 R476	M88-E550 HydrophobicContact CE-CB 3.82Å; C89-E550 VanDerWaalsContact O-CA 3.3Å; C89-E550 WeakPolarHBondContact O-CA 3.19Å; R476-E550 WeakPolarHBondContact CD-OE1 3.2Å; R476-E550 IonicContact CZ-OE1 2.68Å; R476-E550 IonicContact NE-OE1 3.57Å; R476-E550 PolarHBondContact NE-OE1 3.46Å; R476-E550 IonicContact NH1-OE1 2.81Å; R476-E550 PolarHBondContact NH1-OE1 2.92Å
551	Y	84.8	Confident	83.1	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.8	-179.6	51	-95.9	0	0	0	109.6	M88 C89 F547 K549 C553 L564 E565 D568	M88-Y551 CarbonylContact C-O 3.56Å; M88-Y551 WeakPolarHBondContact CA-O 3.13Å; C89-Y551 HydrophobicContact CB-CD2 3.76Å; C89-Y551 HydrophobicContact CB-CE2 3.26Å; C89-Y551 PolarHBondContact N-O 3.16Å; C89-Y551 PolarHBondContact O-N 3.39Å; F547-Y551 HydrophobicContact CB-CD1 3.41Å; F547-Y551 VanDerWaalsContact CB-CD1 3.41Å; F547-Y551 HydrophobicContact CB-CE1 3.53Å; F547-Y551 HydrophobicContact CB-CG 4.49Å; F547-Y551 HydrophobicContact CD1-CD1 4.12Å; F547-Y551 HydrophobicContact CD1-CG 4.48Å; F547-Y551 HydrophobicContact CD2-CD1 4.19Å; F547-Y551 AromaticContact CD2-CE1 3.95Å; F547-Y551 HydrophobicContact CD2-CE1 3.95Å; F547-Y551 AromaticContact CG-CD1 3.65Å; F547-Y551 HydrophobicContact CG-CD1 3.65Å; F547-Y551 AromaticContact CG-CE1 3.82Å; F547-Y551 HydrophobicContact CG-CE1 3.82Å; F547-Y551 HydrophobicContact CG-CG 4.37Å; K549-Y551 WeakPolarHBondContact O-CD1 3.23Å; Y551-C553 PolarHBondContact O-N 3.23Å; Y551-L564 HydrophobicContact CD2-CB 3.45Å; Y551-L564 VanDerWaalsContact CD2-CB 3.45Å; Y551-L564 HydrophobicContact CD2-CD1 4.25Å; Y551-L564 HydrophobicContact CE2-CB 3.88Å; Y551-L564 HydrophobicContact CG-CB 4.21Å; Y551-L564 HydrophobicContact CG-CD1 4.38Å; Y551-E565 HydrophobicContact CE2-CB 4.29Å; Y551-D568 HydrophobicContact CE1-CB 4.17Å; Y551-D568 WeakPolarHBondContact CE1-OD2 3.35Å; Y551-D568 WeakPolarHBondContact OH-CB 3.46Å; Y551-D568 VanDerWaalsContact OH-CG 3.25Å; Y551-D568 PolarHBondContact OH-OD2 2.95Å
552	P	87.1	Confident	82.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	129.2	172.6	26.3	-33.6	0	0	0	108.5	E86 M88 Y530 V554 L555 L564	E86-P552 HydrophobicContact CB-CB 4.31Å; M88-P552 HydrophobicContact SD-CB 4.38Å; Y530-P552 HydrophobicContact CE2-CG 4.19Å; P552-V554 PolarHBondContact O-N 2.98Å; P552-V554 VanDerWaalsContact O-N 3.15Å; P552-L555 HydrophobicContact CG-CB 4.27Å; P552-L555 HydrophobicContact CG-CD1 3.71Å; P552-L564 HydrophobicContact CG-CD1 4.24Å
553	C	84.7	Confident	81.8	Confident	7 Å²	7	59.7 Å²	59.7	5%	0.047	32%	0.316	C	S	.	.	S	Bend	trans	-53.2	-39.7	180	-61.6	0	0	0	0	111	M87 M88 C89 Y551 S563 L564 E565	M87-C553 PolarHBondContact O-N 2.89Å; M87-C553 PolarHBondContact O-SG 2.8Å; M88-C553 PolarHBondContact O-SG 3.12Å; M88-C553 VanDerWaalsContact O-SG 3.39Å; C89-C553 HydrophobicContact CB-CB 3.91Å; C89-C553 WeakPolarHBondContact CB-SG 3.4Å; C89-C553 PolarHBondContact N-SG 3.35Å; C89-C553 VanDerWaalsContact SG-CA 3.53Å; C89-C553 WeakPolarHBondContact SG-CB 3.25Å; C89-C553 CovalentContact SG-SG 2.02Å; C89-C553 PolarHBondContact SG-SG 2.93Å; Y551-C553 PolarHBondContact O-N 3.23Å; C553-S563 WeakPolarHBondContact O-CA 3.32Å; C553-L564 PolarHBondContact O-N 3.04Å; C553-E565 PolarHBondContact O-N 2.8Å
554	V	83.4	Confident	81.2	Confident	69 Å²	69	60 Å²	60	42%	0.418	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.2	173	-178.5	0	0	0	0	108.6	P552 V562	P552-V554 PolarHBondContact O-N 2.98Å; P552-V554 VanDerWaalsContact O-N 3.15Å; V554-V562 CarbonylContact C-O 3.58Å; V554-V562 WeakPolarHBondContact CA-O 3.38Å
555	L	82.1	Confident	80.7	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.7	173.1	-174.5	74.2	0	0	0	109.7	I526 Y530 P552 V557 S561 V562 L564	I526-L555 HydrophobicContact CB-CD2 4.21Å; I526-L555 HydrophobicContact CD1-CD2 4.07Å; I526-L555 HydrophobicContact CG1-CD2 3.85Å; I526-L555 HydrophobicContact CG2-CD2 3.62Å; Y530-L555 HydrophobicContact CD2-CD1 4.17Å; P552-L555 HydrophobicContact CG-CB 4.27Å; P552-L555 HydrophobicContact CG-CD1 3.71Å; L555-V557 HydrophobicContact CD2-CG2 3.89Å; L555-V557 HydrophobicContact CG-CG2 4.05Å; L555-S561 CarbonylContact O-C 3.59Å; L555-S561 WeakPolarHBondContact O-CA 3.47Å; L555-V562 PolarHBondContact N-O 3.26Å; L555-V562 PolarHBondContact O-N 3Å; L555-L564 HydrophobicContact CB-CD1 4.08Å; L555-L564 HydrophobicContact CB-CG 4.17Å
556	R	79.4	Confident	80.1	Confident	193 Å²	193	62.4 Å²	62.4	73%	0.728	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.9	174.8	-66.6	-95.1	-177	160.3	0.5	109.3
557	V	73.8	Confident	79.7	Confident	20 Å²	20	62.9 Å²	62.9	12%	0.121	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	88.1	-176.7	179.4	0	0	0	0	107.3	L525 I526 L555 K559 A560 V562	L525-V557 HydrophobicContact CB-CG1 3.69Å; L525-V557 HydrophobicContact CD1-CG1 3.63Å; L525-V557 HydrophobicContact CG-CG1 4.21Å; I526-V557 HydrophobicContact CD1-CG2 4.22Å; I526-V557 HydrophobicContact CG1-CG2 4.04Å; L555-V557 HydrophobicContact CD2-CG2 3.89Å; L555-V557 HydrophobicContact CG-CG2 4.05Å; V557-K559 PolarHBondContact O-N 3.44Å; V557-A560 PolarHBondContact N-O 3.22Å; V557-A560 PolarHBondContact O-N 2.94Å; V557-V562 HydrophobicContact CG2-CG2 4.21Å
558	G	75	Confident	79.6	Confident	64 Å²	64	64.5 Å²	64.5	66%	0.66	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-118.2	-170.9	0	0	0	0	0	112.1
559	K	73.6	Confident	79.9	Confident	224 Å²	224	61.6 Å²	61.6	97%	0.974	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-10	174	-67.3	-176.1	-179.8	178.5	0	113.5	V557	V557-K559 PolarHBondContact O-N 3.44Å
560	A	71.6	Confident	80.4	Confident	60 Å²	60	55 Å²	55	50%	0.496	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	165	-179.4	0	0	0	0	0	111.3	V557	V557-A560 PolarHBondContact N-O 3.22Å; V557-A560 PolarHBondContact O-N 2.94Å
561	S	77	Confident	80.8	Confident	78 Å²	78	55.5 Å²	55.5	55%	0.545	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.4	176.3	60.5	0	0	0	0	110.4	L555	L555-S561 CarbonylContact O-C 3.59Å; L555-S561 WeakPolarHBondContact O-CA 3.47Å
562	V	77.9	Confident	81.1	Confident	48 Å²	48	55.9 Å²	55.9	29%	0.291	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.5	178.8	-179.2	0	0	0	0	108.6	V554 L555 V557 L564	V554-V562 CarbonylContact C-O 3.58Å; V554-V562 WeakPolarHBondContact CA-O 3.38Å; L555-V562 PolarHBondContact N-O 3.26Å; L555-V562 PolarHBondContact O-N 3Å; V557-V562 HydrophobicContact CG2-CG2 4.21Å; V562-L564 HydrophobicContact CG1-CD2 4.3Å; V562-L564 PolarHBondContact O-N 3.46Å
563	S	81.4	Confident	81.3	Confident	48 Å²	48	59.2 Å²	59.2	34%	0.336	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	104.7	173.5	179.2	0	0	0	0	109.3	C553 E565 A566 Q567	C553-S563 WeakPolarHBondContact O-CA 3.32Å; S563-E565 VanDerWaalsContact C-N 3.34Å; S563-A566 WeakPolarHBondContact OG-CB 3.49Å; S563-A566 PolarHBondContact OG-N 3.48Å; S563-A566 VanDerWaalsContact OG-N 3.17Å; S563-Q567 WeakPolarHBondContact O-CG 3.24Å
564	L	81.1	Confident	81.7	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-74.5	-30.4	174.9	-64.8	-177.3	0	0	0	111.1	Y530 F547 Y551 P552 C553 L555 V562 A566 Q567 D568	Y530-L564 HydrophobicContact CD1-CD1 4.39Å; Y530-L564 HydrophobicContact CG-CD1 4.35Å; F547-L564 HydrophobicContact CE1-CD2 4.32Å; F547-L564 HydrophobicContact CZ-CB 4.48Å; F547-L564 HydrophobicContact CZ-CD2 4.12Å; Y551-L564 HydrophobicContact CD2-CB 3.45Å; Y551-L564 VanDerWaalsContact CD2-CB 3.45Å; Y551-L564 HydrophobicContact CD2-CD1 4.25Å; Y551-L564 HydrophobicContact CE2-CB 3.88Å; Y551-L564 HydrophobicContact CG-CB 4.21Å; Y551-L564 HydrophobicContact CG-CD1 4.38Å; P552-L564 HydrophobicContact CG-CD1 4.24Å; C553-L564 PolarHBondContact O-N 3.04Å; L555-L564 HydrophobicContact CB-CD1 4.08Å; L555-L564 HydrophobicContact CB-CG 4.17Å; V562-L564 HydrophobicContact CG1-CD2 4.3Å; V562-L564 PolarHBondContact O-N 3.46Å; L564-A566 VanDerWaalsContact C-N 3.25Å; L564-A566 PolarHBondContact O-N 2.91Å; L564-Q567 WeakPolarHBondContact O-CB 3.09Å; L564-Q567 PolarHBondContact O-N 3.45Å; L564-D568 PolarHBondContact O-N 3.22Å
565	E	81.1	Confident	82.2	Confident	93 Å²	93	58.4 Å²	58.4	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-37.4	173.7	-175.4	176.8	-147.7	0	0	111.5	C89 Y551 C553 S563 Q567	C89-E565 HydrophobicContact CB-CB 4.27Å; Y551-E565 HydrophobicContact CE2-CB 4.29Å; C553-E565 PolarHBondContact O-N 2.8Å; S563-E565 VanDerWaalsContact C-N 3.34Å; E565-Q567 VanDerWaalsContact C-N 3.27Å; E565-Q567 PolarHBondContact O-N 3.05Å
566	A	78.1	Confident	82.7	Confident	47 Å²	47	62.8 Å²	62.8	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-30.2	174.6	0	0	0	0	0	112.2	S563 L564 Q570	S563-A566 WeakPolarHBondContact OG-CB 3.49Å; S563-A566 PolarHBondContact OG-N 3.48Å; S563-A566 VanDerWaalsContact OG-N 3.17Å; L564-A566 VanDerWaalsContact C-N 3.25Å; L564-A566 PolarHBondContact O-N 2.91Å; A566-Q570 VanDerWaalsContact O-CD 3.28Å; A566-Q570 VanDerWaalsContact O-CG 3.27Å; A566-Q570 WeakPolarHBondContact O-CG 3.46Å; A566-Q570 PolarHBondContact O-NE2 3.11Å
567	Q	79.8	Confident	83.4	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-79.6	-35.2	-179.5	-49.3	-165.3	9.3	0	0	112.7	V545 F547 S563 L564 E565 G569 Q570 L591	V545-Q567 WeakPolarHBondContact CG1-O 3.36Å; F547-Q567 HydrophobicContact CE2-CB 3.96Å; F547-Q567 HydrophobicContact CZ-CB 4.21Å; S563-Q567 WeakPolarHBondContact O-CG 3.24Å; L564-Q567 WeakPolarHBondContact O-CB 3.09Å; L564-Q567 PolarHBondContact O-N 3.45Å; E565-Q567 VanDerWaalsContact C-N 3.27Å; E565-Q567 PolarHBondContact O-N 3.05Å; Q567-G569 PolarHBondContact O-N 3.35Å; Q567-Q570 WeakPolarHBondContact O-CB 3.41Å; Q567-Q570 WeakPolarHBondContact O-CG 3.32Å; Q567-Q570 PolarHBondContact O-N 3.47Å; Q567-L591 HydrophobicContact CB-CD1 4.06Å; Q567-L591 HydrophobicContact CG-CD1 3.63Å; Q567-L591 HydrophobicContact CG-CD2 3.67Å; Q567-L591 HydrophobicContact CG-CG 4.14Å
568	D	83.6	Confident	84.3	Confident	39 Å²	39	59.4 Å²	59.4	21%	0.209	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	133.2	-177.3	-163.8	22.7	0	0	0	111.2	F547 Y551 L564 Q570	F547-D568 HydrophobicContact CD2-CB 3.65Å; F547-D568 HydrophobicContact CE2-CB 4.02Å; F547-D568 PolarHBondContact N-OD1 3.46Å; Y551-D568 HydrophobicContact CE1-CB 4.17Å; Y551-D568 WeakPolarHBondContact CE1-OD2 3.35Å; Y551-D568 WeakPolarHBondContact OH-CB 3.46Å; Y551-D568 VanDerWaalsContact OH-CG 3.25Å; Y551-D568 PolarHBondContact OH-OD2 2.95Å; L564-D568 PolarHBondContact O-N 3.22Å; D568-Q570 VanDerWaalsContact C-N 3.27Å; D568-Q570 PolarHBondContact O-N 3.25Å
569	G	84.1	Confident	85	Confident	23 Å²	23	64.8 Å²	64.8	24%	0.237	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	0.3	-177	0	0	0	0	0	115.7	V545 Q567	V545-G569 VanDerWaalsContact O-CA 3.32Å; V545-G569 WeakPolarHBondContact O-CA 3.28Å; V545-G569 PolarHBondContact O-N 3.35Å; Q567-G569 PolarHBondContact O-N 3.35Å
570	Q	86.8	Confident	85.6	Confident	21 Å²	21	61.6 Å²	61.6	10%	0.098	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.7	151.3	175.7	-72	-163.5	0.8	0	0	112.8	R544 V545 A566 Q567 D568 G590 L591	R544-Q570 CarbonylContact C-O 3.58Å; R544-Q570 WeakPolarHBondContact CA-O 3.36Å; V545-Q570 HydrophobicContact CB-CB 4.49Å; V545-Q570 HydrophobicContact CG2-CB 4.19Å; V545-Q570 WeakPolarHBondContact CG2-O 3.46Å; V545-Q570 PolarHBondContact N-O 3.19Å; A566-Q570 VanDerWaalsContact O-CD 3.28Å; A566-Q570 VanDerWaalsContact O-CG 3.27Å; A566-Q570 WeakPolarHBondContact O-CG 3.46Å; A566-Q570 PolarHBondContact O-NE2 3.11Å; Q567-Q570 WeakPolarHBondContact O-CB 3.41Å; Q567-Q570 WeakPolarHBondContact O-CG 3.32Å; Q567-Q570 PolarHBondContact O-N 3.47Å; D568-Q570 VanDerWaalsContact C-N 3.27Å; D568-Q570 PolarHBondContact O-N 3.25Å; Q570-G590 PolarHBondContact NE2-O 3.49Å; Q570-G590 VanDerWaalsContact NE2-O 3.1Å; Q570-L591 VanDerWaalsContact OE1-CD1 3.3Å; Q570-L591 VanDerWaalsContact OE1-CG 3.29Å
571	L	90.5	Very high	86.5	Confident	90 Å²	90	60.3 Å²	60.3	47%	0.471	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	176	-58	-175.6	0	0	0	110.1	L538 V542 F543 R544 P589	L538-L571 HydrophobicContact CD1-CD2 3.49Å; L538-L571 VanDerWaalsContact CD1-CD2 3.49Å; V542-L571 HydrophobicContact CG1-CB 4.26Å; V542-L571 HydrophobicContact CG1-CD2 4.39Å; F543-L571 CarbonylContact O-C 3.59Å; F543-L571 WeakPolarHBondContact O-CA 3.31Å; R544-L571 HydrophobicContact CB-CD2 4.24Å; R544-L571 HydrophobicContact CG-CD2 4.39Å; L571-P589 WeakPolarHBondContact O-CD 3.48Å
572	F	90.7	Very high	87.3	Confident	11 Å²	11	59 Å²	59	5%	0.048	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.6	170.2	-82	24.7	0	0	0	108.1	M515 L535 V542 F543 V545 F586 D587 A588	M515-F572 HydrophobicContact CE-CE2 3.55Å; M515-F572 HydrophobicContact CE-CZ 3.84Å; M515-F572 HydrophobicContact SD-CE2 3.73Å; L535-F572 HydrophobicContact CD2-CD2 4.03Å; L535-F572 HydrophobicContact CD2-CE2 4.28Å; V542-F572 VanDerWaalsContact CA-O 3.31Å; V542-F572 WeakPolarHBondContact CA-O 3.32Å; F543-F572 HydrophobicContact CB-CB 4.43Å; F543-F572 PolarHBondContact N-O 3.31Å; F543-F572 PolarHBondContact O-N 3.09Å; V545-F572 HydrophobicContact CG2-CD1 3.36Å; V545-F572 HydrophobicContact CG2-CD2 4.38Å; V545-F572 HydrophobicContact CG2-CE1 3.19Å; V545-F572 HydrophobicContact CG2-CE2 4.24Å; V545-F572 HydrophobicContact CG2-CG 3.98Å; V545-F572 HydrophobicContact CG2-CZ 3.68Å; F572-F586 AromaticContact CD2-CD2 3.67Å; F572-F586 HydrophobicContact CD2-CD2 3.67Å; F572-F586 AromaticContact CD2-CE2 3.5Å; F572-F586 HydrophobicContact CD2-CE2 3.5Å; F572-F586 HydrophobicContact CD2-CG 4.43Å; F572-F586 HydrophobicContact CD2-CZ 4.14Å; F572-F586 AromaticContact CE2-CD2 3.93Å; F572-F586 HydrophobicContact CE2-CD2 3.93Å; F572-F586 AromaticContact CE2-CE2 3.27Å; F572-F586 HydrophobicContact CE2-CE2 3.27Å; F572-F586 AromaticContact CE2-CZ 3.79Å; F572-F586 HydrophobicContact CE2-CZ 3.79Å; F572-F586 HydrophobicContact CG-CD2 4.15Å; F572-F586 HydrophobicContact CG-CE2 4.31Å; F572-F586 AromaticContact CZ-CE2 3.92Å; F572-F586 HydrophobicContact CZ-CE2 3.92Å; F572-D587 WeakPolarHBondContact CA-O 3.2Å; F572-A588 HydrophobicContact CD1-CB 3.78Å; F572-A588 HydrophobicContact CE1-CB 3.41Å; F572-A588 VanDerWaalsContact CE1-CB 3.41Å; F572-A588 HydrophobicContact CZ-CB 4.07Å
573	N	91.8	Very high	88.1	Confident	69 Å²	69	56.7 Å²	56.7	37%	0.369	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	102.4	175.2	-171.4	3.7	0	0	0	108.8	F586 D587	N573-F586 VanDerWaalsContact O-CA 3.32Å; N573-F586 WeakPolarHBondContact O-CA 3.48Å; N573-F586 WeakPolarHBondContact O-CB 3.46Å; N573-D587 PolarHBondContact N-O 3.43Å; N573-D587 PolarHBondContact O-N 3.11Å
574	F	93.6	Very high	88.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.3	175	-80.2	-89.9	0	0	0	110.4	Y491 F495 I505 L535 R541 F543 S583 G585 F586	Y491-F574 HydrophobicContact CD1-CB 3.9Å; Y491-F574 AromaticContact CD1-CD1 3.65Å; Y491-F574 HydrophobicContact CD1-CD1 3.65Å; Y491-F574 AromaticContact CD1-CD2 3.8Å; Y491-F574 HydrophobicContact CD1-CD2 3.8Å; Y491-F574 HydrophobicContact CD1-CE1 4.06Å; Y491-F574 HydrophobicContact CD1-CE2 4.2Å; Y491-F574 AromaticContact CD1-CG 3.49Å; Y491-F574 HydrophobicContact CD1-CG 3.49Å; Y491-F574 VanDerWaalsContact CD1-CG 3.49Å; Y491-F574 HydrophobicContact CD1-CZ 4.31Å; Y491-F574 HydrophobicContact CE1-CB 3.72Å; Y491-F574 HydrophobicContact CE1-CD1 4.36Å; Y491-F574 HydrophobicContact CE1-CD2 4.09Å; Y491-F574 AromaticContact CE1-CG 3.8Å; Y491-F574 HydrophobicContact CE1-CG 3.8Å; F495-F574 HydrophobicContact CE1-CE1 4.46Å; F495-F574 HydrophobicContact CZ-CE1 4.17Å; I505-F574 HydrophobicContact CD1-CE1 3.96Å; I505-F574 HydrophobicContact CD1-CZ 3.69Å; L535-F574 HydrophobicContact CD1-CE2 4.45Å; L535-F574 HydrophobicContact CD1-CZ 4.32Å; R541-F574 HydrophobicContact CB-CB 4.13Å; R541-F574 WeakPolarHBondContact CB-O 3.25Å; R541-F574 WeakPolarHBondContact CD-O 3.46Å; R541-F574 PolarHBondContact NH1-O 2.9Å; R541-F574 PolarHBondContact O-N 3.36Å; F543-F574 AromaticContact CD2-CD2 3.58Å; F543-F574 HydrophobicContact CD2-CD2 3.58Å; F543-F574 AromaticContact CD2-CE2 3.61Å; F543-F574 HydrophobicContact CD2-CE2 3.61Å; F543-F574 AromaticContact CE2-CD2 3.79Å; F543-F574 HydrophobicContact CE2-CD2 3.79Å; F543-F574 AromaticContact CE2-CE2 3.92Å; F543-F574 HydrophobicContact CE2-CE2 3.92Å; F543-F574 HydrophobicContact CG-CE2 4.3Å; F574-S583 WeakPolarHBondContact CB-OG 3.36Å; F574-G585 CarbonylContact C-O 3.49Å; F574-G585 WeakPolarHBondContact CA-O 3.18Å; F574-F586 HydrophobicContact CB-CB 4.43Å; F574-F586 HydrophobicContact CD1-CB 3.85Å; F574-F586 HydrophobicContact CD1-CD1 4.11Å; F574-F586 HydrophobicContact CD1-CG 4.38Å; F574-F586 HydrophobicContact CD2-CB 4.44Å; F574-F586 HydrophobicContact CE1-CB 4.19Å; F574-F586 AromaticContact CE1-CD1 3.67Å; F574-F586 HydrophobicContact CE1-CD1 3.67Å; F574-F586 HydrophobicContact CE1-CE1 4.42Å; F574-F586 HydrophobicContact CE1-CG 4.23Å; F574-F586 HydrophobicContact CG-CB 4Å; F574-F586 HydrophobicContact CZ-CD1 4.13Å
575	Y	93.9	Very high	89.2	Confident	59 Å²	59	56.6 Å²	56.6	23%	0.231	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-64.6	158.3	178.3	-60.5	-32.5	0	0	0	112.7	F577 S583 P584 G585 D587 N595	Y575-F577 PolarHBondContact O-N 2.91Å; Y575-S583 PolarHBondContact N-OG 3.35Å; Y575-S583 PolarHBondContact O-OG 3.13Å; Y575-P584 HydrophobicContact CD2-CG 4.24Å; Y575-G585 VanDerWaalsContact CD2-CA 3.46Å; Y575-G585 PolarHBondContact N-O 2.81Å; Y575-D587 HydrophobicContact CE1-CB 4.39Å; Y575-D587 WeakPolarHBondContact CE1-OD2 3.26Å; Y575-D587 VanDerWaalsContact OH-CG 3.24Å; Y575-D587 PolarHBondContact OH-OD1 3.01Å; Y575-N595 WeakPolarHBondContact OH-CA 3.47Å; Y575-N595 PolarHBondContact OH-N 2.64Å
576	V	92.5	Very high	89.7	Confident	104 Å²	104	52.3 Å²	52.3	63%	0.63	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-55.3	138.9	176.4	-177	0	0	0	0	109.3	P584	V576-P584 WeakPolarHBondContact O-CD 3.39Å
577	F	94.3	Very high	90.1	Very high	85 Å²	85	52.1 Å²	52.1	37%	0.373	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.1	-175.9	-52.2	-34	0	0	0	111.2	P490 Y491 R541 Y575 L582	P490-F577 HydrophobicContact CB-CD1 3.96Å; P490-F577 HydrophobicContact CB-CE1 3.54Å; P490-F577 HydrophobicContact CB-CE2 4.4Å; P490-F577 HydrophobicContact CB-CZ 3.79Å; P490-F577 HydrophobicContact CG-CE1 4.32Å; P490-F577 HydrophobicContact CG-CE2 4.36Å; P490-F577 HydrophobicContact CG-CZ 4.07Å; Y491-F577 AromaticContact CE1-CE1 3.74Å; Y491-F577 HydrophobicContact CE1-CE1 3.74Å; Y491-F577 HydrophobicContact CE1-CZ 4.14Å; Y491-F577 AromaticContact CZ-CE1 3.98Å; Y491-F577 AromaticContact CZ-CZ 3.89Å; Y491-F577 WeakPolarHBondContact OH-CZ 3.49Å; R541-F577 HydrophobicContact CG-CE1 4.16Å; R541-F577 HydrophobicContact CG-CZ 4.15Å; Y575-F577 PolarHBondContact O-N 2.91Å; F577-L582 WeakPolarHBondContact CA-O 3.3Å
578	N	91.5	Very high	90	Very high	56 Å²	56	51.1 Å²	51.1	30%	0.299	28%	0.278	S	S	.	.			trans	-75.4	-178.7	173.5	68.6	11.2	0	0	0	110.9	Q580 G581 L582	N578-Q580 PolarHBondContact O-N 3.18Å; N578-Q580 WeakPolarHBondContact OD1-CA 3.32Å; N578-Q580 WeakPolarHBondContact OD1-CB 3.36Å; N578-Q580 PolarHBondContact OD1-N 2.85Å; N578-G581 PolarHBondContact O-N 3.14Å; N578-G581 PolarHBondContact OD1-N 3.21Å; N578-L582 VanDerWaalsContact CG-O 3.25Å; N578-L582 PolarHBondContact N-O 3.31Å; N578-L582 PolarHBondContact OD1-N 3.4Å; N578-L582 PolarHBondContact OD1-O 3.2Å
579	N	89.5	Confident	89	Confident	178 Å²	178	52.4 Å²	52.4	95%	0.952	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.1	179	-62.5	-9.5	0	0	0	114.3
580	Q	87.6	Confident	87.7	Confident	156 Å²	156	53.8 Å²	53.8	73%	0.729	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	4.1	175.8	-60.2	174.9	-22.1	0	0	112.3	N578 L582	N578-Q580 PolarHBondContact O-N 3.18Å; N578-Q580 WeakPolarHBondContact OD1-CA 3.32Å; N578-Q580 WeakPolarHBondContact OD1-CB 3.36Å; N578-Q580 PolarHBondContact OD1-N 2.85Å; Q580-L582 HydrophobicContact CB-CG 4.45Å; Q580-L582 PolarHBondContact O-N 3.14Å
581	G	90.3	Very high	86.2	Confident	33 Å²	33	55.5 Å²	55.5	34%	0.34	31%	0.312	S	S	.	.	S	Bend	trans	73.9	12.5	-177.2	0	0	0	0	0	114.1	P490 N578	P490-G581 WeakPolarHBondContact CB-O 3.4Å; N578-G581 PolarHBondContact O-N 3.14Å; N578-G581 PolarHBondContact OD1-N 3.21Å
582	L	93.5	Very high	84.5	Confident	50 Å²	50	56.8 Å²	56.8	26%	0.262	32%	0.32	S	S	.	.			trans	-104	143.4	-178.5	-60.5	179.3	0	0	0	110.8	F577 N578 Q580 P584	F577-L582 WeakPolarHBondContact CA-O 3.3Å; N578-L582 VanDerWaalsContact CG-O 3.25Å; N578-L582 PolarHBondContact N-O 3.31Å; N578-L582 PolarHBondContact OD1-N 3.4Å; N578-L582 PolarHBondContact OD1-O 3.2Å; Q580-L582 HydrophobicContact CB-CG 4.45Å; Q580-L582 PolarHBondContact O-N 3.14Å; L582-P584 WeakPolarHBondContact O-CD 3.36Å
583	S	93.6	Very high	83.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.324	C	S	.	.			trans	-74.1	121.9	171.8	-172.9	0	0	0	0	110.4	P490 F574 Y575 G585 R598	P490-S583 WeakPolarHBondContact O-CB 3.5Å; P490-S583 PolarHBondContact O-N 3.26Å; F574-S583 WeakPolarHBondContact CB-OG 3.36Å; Y575-S583 PolarHBondContact N-OG 3.35Å; Y575-S583 PolarHBondContact O-OG 3.13Å; S583-G585 PolarHBondContact O-N 3.44Å; S583-G585 PolarHBondContact OG-O 2.79Å; S583-R598 PolarHBondContact O-NE 3.11Å
584	P	93.8	Very high	82.1	Confident	52 Å²	52	59.4 Å²	59.4	34%	0.338	33%	0.327	S	S	.	.			trans	-73.1	-6.2	-177.3	28.7	-34.1	0	0	0	113.9	Y575 V576 L582 R598	Y575-P584 HydrophobicContact CD2-CG 4.24Å; V576-P584 WeakPolarHBondContact O-CD 3.39Å; L582-P584 WeakPolarHBondContact O-CD 3.36Å; P584-R598 VanDerWaalsContact O-CB 3.26Å; P584-R598 WeakPolarHBondContact O-CB 3.47Å; P584-R598 PolarHBondContact O-N 2.95Å
585	G	92.9	Very high	81.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-171.7	-174.1	0	0	0	0	0	112.5	F574 Y575 S583 V596	F574-G585 CarbonylContact C-O 3.49Å; F574-G585 WeakPolarHBondContact CA-O 3.18Å; Y575-G585 VanDerWaalsContact CD2-CA 3.46Å; Y575-G585 PolarHBondContact N-O 2.81Å; S583-G585 PolarHBondContact O-N 3.44Å; S583-G585 PolarHBondContact OG-O 2.79Å; G585-V596 CarbonylContact C-O 3.48Å; G585-V596 WeakPolarHBondContact CA-O 3.29Å
586	F	91.8	Very high	81.3	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	159.6	174.8	61.6	-92.5	0	0	0	112	F495 I505 M515 F572 N573 F574 V596	F495-F586 HydrophobicContact CB-CE1 4.25Å; F495-F586 HydrophobicContact CD1-CD1 4.12Å; F495-F586 HydrophobicContact CD1-CE1 4.06Å; F495-F586 HydrophobicContact CE1-CD1 4.32Å; F495-F586 HydrophobicContact CG-CE1 4.04Å; I505-F586 HydrophobicContact CD1-CE1 4.14Å; M515-F586 HydrophobicContact SD-CZ 3.97Å; F572-F586 AromaticContact CD2-CD2 3.67Å; F572-F586 HydrophobicContact CD2-CD2 3.67Å; F572-F586 AromaticContact CD2-CE2 3.5Å; F572-F586 HydrophobicContact CD2-CE2 3.5Å; F572-F586 HydrophobicContact CD2-CG 4.43Å; F572-F586 HydrophobicContact CD2-CZ 4.14Å; F572-F586 AromaticContact CE2-CD2 3.93Å; F572-F586 HydrophobicContact CE2-CD2 3.93Å; F572-F586 AromaticContact CE2-CE2 3.27Å; F572-F586 HydrophobicContact CE2-CE2 3.27Å; F572-F586 AromaticContact CE2-CZ 3.79Å; F572-F586 HydrophobicContact CE2-CZ 3.79Å; F572-F586 HydrophobicContact CG-CD2 4.15Å; F572-F586 HydrophobicContact CG-CE2 4.31Å; F572-F586 AromaticContact CZ-CE2 3.92Å; F572-F586 HydrophobicContact CZ-CE2 3.92Å; N573-F586 VanDerWaalsContact O-CA 3.32Å; N573-F586 WeakPolarHBondContact O-CA 3.48Å; N573-F586 WeakPolarHBondContact O-CB 3.46Å; F574-F586 HydrophobicContact CB-CB 4.43Å; F574-F586 HydrophobicContact CD1-CB 3.85Å; F574-F586 HydrophobicContact CD1-CD1 4.11Å; F574-F586 HydrophobicContact CD1-CG 4.38Å; F574-F586 HydrophobicContact CD2-CB 4.44Å; F574-F586 HydrophobicContact CE1-CB 4.19Å; F574-F586 AromaticContact CE1-CD1 3.67Å; F574-F586 HydrophobicContact CE1-CD1 3.67Å; F574-F586 HydrophobicContact CE1-CE1 4.42Å; F574-F586 HydrophobicContact CE1-CG 4.23Å; F574-F586 HydrophobicContact CG-CB 4Å; F574-F586 HydrophobicContact CZ-CD1 4.13Å; F586-V596 HydrophobicContact CD1-CB 4.2Å; F586-V596 HydrophobicContact CD1-CG1 4.06Å; F586-V596 HydrophobicContact CD2-CB 4.15Å; F586-V596 HydrophobicContact CD2-CG2 4.27Å; F586-V596 HydrophobicContact CE1-CB 4.02Å; F586-V596 HydrophobicContact CE1-CG1 3.49Å; F586-V596 VanDerWaalsContact CE1-CG1 3.49Å; F586-V596 HydrophobicContact CE2-CB 3.95Å; F586-V596 HydrophobicContact CE2-CG1 4.11Å; F586-V596 HydrophobicContact CE2-CG2 3.82Å; F586-V596 HydrophobicContact CG-CB 4.27Å; F586-V596 HydrophobicContact CZ-CB 3.9Å; F586-V596 HydrophobicContact CZ-CG1 3.53Å; F586-V596 HydrophobicContact CZ-CG2 4.06Å; F586-V596 PolarHBondContact N-O 2.76Å; F586-V596 WeakPolarHBondContact O-CB 3.33Å; F586-V596 PolarHBondContact O-N 3.18Å; F586-V596 VanDerWaalsContact O-N 3.15Å
587	D	87.1	Confident	81.3	Confident	44 Å²	44	59.3 Å²	59.3	24%	0.235	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.3	168.7	-74.6	-32.3	0	0	0	111.6	F572 N573 Y575 Y594 N595	F572-D587 WeakPolarHBondContact CA-O 3.2Å; N573-D587 PolarHBondContact N-O 3.43Å; N573-D587 PolarHBondContact O-N 3.11Å; Y575-D587 HydrophobicContact CE1-CB 4.39Å; Y575-D587 WeakPolarHBondContact CE1-OD2 3.26Å; Y575-D587 VanDerWaalsContact OH-CG 3.24Å; Y575-D587 PolarHBondContact OH-OD1 3.01Å; D587-Y594 HydrophobicContact CB-CD1 4.36Å; D587-Y594 WeakPolarHBondContact OD1-CA 3.25Å; D587-N595 PolarHBondContact OD1-N 3.44Å
588	A	75.9	Confident	81.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	84.1	170.3	0	0	0	0	0	109.6	F572 G590 L591 T593	F572-A588 HydrophobicContact CD1-CB 3.78Å; F572-A588 HydrophobicContact CE1-CB 3.41Å; F572-A588 VanDerWaalsContact CE1-CB 3.41Å; F572-A588 HydrophobicContact CZ-CB 4.07Å; A588-G590 PolarHBondContact O-N 3.27Å; A588-G590 VanDerWaalsContact O-N 3.11Å; A588-L591 PolarHBondContact O-N 2.95Å; A588-T593 PolarHBondContact N-O 3.02Å; A588-T593 VanDerWaalsContact N-O 3.1Å
589	P	62.7	Low	81.4	Confident	66 Å²	66	57 Å²	57	43%	0.429	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.7	-167.8	-22.8	32	0	0	0	115	L571 L591 Y594	L571-P589 WeakPolarHBondContact O-CD 3.48Å; P589-L591 VanDerWaalsContact C-N 3.33Å; P589-L591 PolarHBondContact O-N 3.39Å; P589-Y594 HydrophobicContact CB-CE1 3.95Å; P589-Y594 HydrophobicContact CG-CE1 4.39Å; P589-Y594 PolarHBondContact O-OH 3.09Å; P589-Y594 VanDerWaalsContact O-OH 3.11Å
590	G	56.7	Low	81.3	Confident	53 Å²	53	53.5 Å²	53.5	55%	0.546	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-80	-9.6	-177.3	0	0	0	0	0	114.8	Q570 A588	Q570-G590 PolarHBondContact NE2-O 3.49Å; Q570-G590 VanDerWaalsContact NE2-O 3.1Å; A588-G590 PolarHBondContact O-N 3.27Å; A588-G590 VanDerWaalsContact O-N 3.11Å
591	L	55	Low	81.4	Confident	56 Å²	56	56 Å²	56	29%	0.293	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-112.5	2.2	-177.1	-82.5	163	0	0	0	114	Q567 Q570 A588 P589 T593	Q567-L591 HydrophobicContact CB-CD1 4.06Å; Q567-L591 HydrophobicContact CG-CD1 3.63Å; Q567-L591 HydrophobicContact CG-CD2 3.67Å; Q567-L591 HydrophobicContact CG-CG 4.14Å; Q570-L591 VanDerWaalsContact OE1-CD1 3.3Å; Q570-L591 VanDerWaalsContact OE1-CG 3.29Å; A588-L591 PolarHBondContact O-N 2.95Å; P589-L591 VanDerWaalsContact C-N 3.33Å; P589-L591 PolarHBondContact O-N 3.39Å; L591-T593 WeakPolarHBondContact CB-OG1 3.18Å; L591-T593 PolarHBondContact O-N 3.39Å
592	N	55.1	Low	81.5	Confident	118 Å²	118	60.7 Å²	60.7	63%	0.631	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	12.6	-165.5	-64.1	-31.3	0	0	0	114.4	Y497 Y594	Y497-N592 PolarHBondContact OH-O 3.34Å; N592-Y594 VanDerWaalsContact C-N 3.28Å; N592-Y594 HydrophobicContact CB-CE2 4.41Å; N592-Y594 PolarHBondContact O-N 3.29Å; N592-Y594 VanDerWaalsContact O-N 3.13Å
593	T	63.8	Low	81.1	Confident	22 Å²	22	60 Å²	60	14%	0.135	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	77.6	166.7	35	0	0	0	0	108.9	Y497 A588 L591	Y497-T593 HydrophobicContact CD1-CG2 3.97Å; Y497-T593 HydrophobicContact CD2-CG2 3.91Å; Y497-T593 HydrophobicContact CE1-CG2 4Å; Y497-T593 HydrophobicContact CE2-CG2 3.93Å; Y497-T593 HydrophobicContact CG-CG2 3.92Å; A588-T593 PolarHBondContact N-O 3.02Å; A588-T593 VanDerWaalsContact N-O 3.1Å; L591-T593 WeakPolarHBondContact CB-OG1 3.18Å; L591-T593 PolarHBondContact O-N 3.39Å
594	Y	68.9	Low	80.7	Confident	112 Å²	112	66.4 Å²	66.4	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	150.5	166.4	-60	-80.7	0	0	0	109.2	Y497 D587 P589 N592	Y497-Y594 VanDerWaalsContact CE2-O 3.27Å; Y497-Y594 WeakPolarHBondContact CE2-O 3.28Å; D587-Y594 HydrophobicContact CB-CD1 4.36Å; D587-Y594 WeakPolarHBondContact OD1-CA 3.25Å; P589-Y594 HydrophobicContact CB-CE1 3.95Å; P589-Y594 HydrophobicContact CG-CE1 4.39Å; P589-Y594 PolarHBondContact O-OH 3.09Å; P589-Y594 VanDerWaalsContact O-OH 3.11Å; N592-Y594 VanDerWaalsContact C-N 3.28Å; N592-Y594 HydrophobicContact CB-CE2 4.41Å; N592-Y594 PolarHBondContact O-N 3.29Å; N592-Y594 VanDerWaalsContact O-N 3.13Å
595	N	82.2	Confident	80.1	Confident	104 Å²	104	68.1 Å²	68.1	56%	0.556	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	68.7	45.9	173.1	-154.8	21.7	0	0	0	114.6	Y575 D587 V597	Y575-N595 WeakPolarHBondContact OH-CA 3.47Å; Y575-N595 PolarHBondContact OH-N 2.64Å; D587-N595 PolarHBondContact OD1-N 3.44Å; N595-V597 PolarHBondContact O-N 2.78Å
596	V	88.2	Confident	79.3	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.006	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.5	165.9	-179.4	0	0	0	0	108.1	F495 Y497 Y503 G585 F586	F495-V596 HydrophobicContact CB-CG1 3.74Å; Y497-V596 HydrophobicContact CD2-CG2 4.27Å; Y503-V596 HydrophobicContact CD2-CG1 4.2Å; Y503-V596 HydrophobicContact CE2-CG1 4.33Å; G585-V596 CarbonylContact C-O 3.48Å; G585-V596 WeakPolarHBondContact CA-O 3.29Å; F586-V596 HydrophobicContact CD1-CB 4.2Å; F586-V596 HydrophobicContact CD1-CG1 4.06Å; F586-V596 HydrophobicContact CD2-CB 4.15Å; F586-V596 HydrophobicContact CD2-CG2 4.27Å; F586-V596 HydrophobicContact CE1-CB 4.02Å; F586-V596 HydrophobicContact CE1-CG1 3.49Å; F586-V596 VanDerWaalsContact CE1-CG1 3.49Å; F586-V596 HydrophobicContact CE2-CB 3.95Å; F586-V596 HydrophobicContact CE2-CG1 4.11Å; F586-V596 HydrophobicContact CE2-CG2 3.82Å; F586-V596 HydrophobicContact CG-CB 4.27Å; F586-V596 HydrophobicContact CZ-CB 3.9Å; F586-V596 HydrophobicContact CZ-CG1 3.53Å; F586-V596 HydrophobicContact CZ-CG2 4.06Å; F586-V596 PolarHBondContact N-O 2.76Å; F586-V596 WeakPolarHBondContact O-CB 3.33Å; F586-V596 PolarHBondContact O-N 3.18Å; F586-V596 VanDerWaalsContact O-N 3.15Å
597	V	93.1	Very high	77.6	Confident	56 Å²	56	83.7 Å²	83.7	34%	0.339	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.3	-172.8	-64.6	0	0	0	0	112	F495 T496 N595	F495-V597 CarbonylContact C-O 3.52Å; F495-V597 WeakPolarHBondContact CA-O 3.22Å; T496-V597 HydrophobicContact CG2-CG2 3.78Å; T496-V597 PolarHBondContact N-O 3.45Å; T496-V597 PolarHBondContact O-N 3.11Å; N595-V597 PolarHBondContact O-N 2.78Å
598	R	94.8	Very high	77.2	Confident	55 Å²	55	85.7 Å²	85.7	21%	0.208	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	136.5	173.6	-179.3	-177.3	-81	-90.3	1.7	110.1	P490 I492 F494 F495 S583 P584	P490-R598 PolarHBondContact O-NH2 3.28Å; I492-R598 VanDerWaalsContact O-CZ 3.26Å; I492-R598 PolarHBondContact O-NH1 2.97Å; I492-R598 PolarHBondContact O-NH2 3.05Å; F494-R598 CarbonylContact O-C 3.55Å; F494-R598 WeakPolarHBondContact O-CA 3.33Å; F495-R598 HydrophobicContact CD1-CB 3.88Å; F495-R598 HydrophobicContact CE1-CB 3.73Å; F495-R598 HydrophobicContact CE1-CG 4.24Å; F495-R598 HydrophobicContact CZ-CB 4.49Å; S583-R598 PolarHBondContact O-NE 3.11Å; P584-R598 VanDerWaalsContact O-CB 3.26Å; P584-R598 WeakPolarHBondContact O-CB 3.47Å; P584-R598 PolarHBondContact O-N 2.95Å
599	I	93.8	Very high	77.2	Confident	38 Å²	38	90.2 Å²	90.2	20%	0.195	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.9	173.6	61.8	-179.6	0	0	0	110.5	F494 T496 F502 R601 P603	F494-I599 HydrophobicContact CB-CD1 3.98Å; F494-I599 HydrophobicContact CB-CG1 3.46Å; F494-I599 VanDerWaalsContact CB-CG1 3.46Å; F494-I599 PolarHBondContact O-N 3.03Å; T496-I599 HydrophobicContact CG2-CG2 3.66Å; F502-I599 HydrophobicContact CD1-CD1 4.01Å; F502-I599 HydrophobicContact CE1-CD1 4.37Å; I599-R601 PolarHBondContact O-N 2.74Å; I599-P603 HydrophobicContact CD1-CG 3.98Å
600	A	87.5	Confident	78	Confident	104 Å²	104	91.5 Å²	91.5	86%	0.86	51%	0.507	S	S	*	.	S	Bend	trans	-72	-27.8	-170.4	0	0	0	0	0	114
601	R	89.6	Confident	79.3	Confident	209 Å²	209	93.8 Å²	93.8	79%	0.789	50%	0.504	S	S	*	.	S	Bend	trans	-144.3	155.3	-175.3	-62.2	-174.7	-176.9	177.9	1	110.7	I599 P603	I599-R601 PolarHBondContact O-N 2.74Å; R601-P603 WeakPolarHBondContact O-CD 3.46Å
602	R	90.8	Very high	80.8	Confident	132 Å²	132	96.1 Å²	96.1	50%	0.498	52%	0.517	S	S	.	.			trans	-60.7	123.2	170.6	-166.1	172.1	-179.8	175.1	-3	109.3	F494 F518	F494-R602 HydrophobicContact CD1-CB 4.04Å; F494-R602 HydrophobicContact CD1-CG 4.14Å; F494-R602 HydrophobicContact CD2-CB 4.35Å; F494-R602 HydrophobicContact CE1-CB 3.67Å; F494-R602 HydrophobicContact CE1-CG 3.75Å; F494-R602 HydrophobicContact CE2-CB 4.01Å; F494-R602 HydrophobicContact CG-CB 4.38Å; F494-R602 HydrophobicContact CZ-CB 3.66Å; F494-R602 HydrophobicContact CZ-CG 4.21Å; F518-R602 HydrophobicContact CE2-CG 3.98Å; F518-R602 HydrophobicContact CZ-CG 4.01Å
603	P	86	Confident	82.5	Confident	35 Å²	35	94.7 Å²	94.7	23%	0.227	51%	0.51	C	S	.	.			trans	-66.6	146.2	176.6	15.8	-16	0	0	0	110.5	F502 F518 I599 R601 F605	F502-P603 HydrophobicContact CD1-CG 3.44Å; F502-P603 VanDerWaalsContact CD1-CG 3.44Å; F502-P603 HydrophobicContact CE1-CB 4.3Å; F502-P603 HydrophobicContact CE1-CG 3.6Å; F502-P603 HydrophobicContact CG-CG 3.98Å; F502-P603 HydrophobicContact CZ-CG 4.27Å; F518-P603 HydrophobicContact CE2-CG 4.02Å; F518-P603 HydrophobicContact CZ-CG 4.3Å; I599-P603 HydrophobicContact CD1-CG 3.98Å; R601-P603 WeakPolarHBondContact O-CD 3.46Å; P603-F605 HydrophobicContact CB-CZ 4.27Å; P603-F605 HydrophobicContact CG-CZ 4.12Å
604	T	84.4	Confident	83.9	Confident	134 Å²	134	99.9 Å²	99.9	82%	0.822	54%	0.537	S	S	*	.			trans	-104.8	133.1	172.4	47.6	0	0	0	0	108.1
605	F	82.4	Confident	85	Confident	88 Å²	88	98.9 Å²	98.9	39%	0.386	54%	0.544	S	S	.	.			trans	-105.3	120.5	179.7	-55.2	-82	0	0	0	108	F502 F518 P520 P603	F502-F605 AromaticContact CD2-CE1 3.99Å; F502-F605 HydrophobicContact CD2-CE1 3.99Å; F502-F605 AromaticContact CD2-CZ 3.55Å; F502-F605 HydrophobicContact CD2-CZ 3.55Å; F502-F605 AromaticContact CE2-CE1 3.58Å; F502-F605 HydrophobicContact CE2-CE1 3.58Å; F502-F605 AromaticContact CE2-CZ 3.63Å; F502-F605 HydrophobicContact CE2-CZ 3.63Å; F502-F605 HydrophobicContact CG-CZ 4.19Å; F502-F605 HydrophobicContact CZ-CE1 4.2Å; F502-F605 HydrophobicContact CZ-CZ 4.32Å; F518-F605 HydrophobicContact CD2-CE2 4.12Å; F518-F605 HydrophobicContact CE2-CE2 4.17Å; F518-F605 HydrophobicContact CE2-CZ 4.48Å; P520-F605 HydrophobicContact CG-CB 3.97Å; P520-F605 HydrophobicContact CG-CD1 3.94Å; P520-F605 HydrophobicContact CG-CD2 4.45Å; P520-F605 HydrophobicContact CG-CG 3.86Å; P603-F605 HydrophobicContact CB-CZ 4.27Å; P603-F605 HydrophobicContact CG-CZ 4.12Å
606	T	75.1	Confident	85.3	Confident	139 Å²	139	98.5 Å²	98.5	85%	0.853	54%	0.543	S	S	*	.			trans	-84.2	124.4	167.7	49.7	0	0	0	0	107.8
607	S	57.6	Low	85	Confident	191 Å²	191	107.4 Å²	107.4	100%	1.336	59%	0.592	S	S	*	*			trans	-61.9	0	178.2	58.7	0	0	0	0	113

Retrieved 607 of 607 residues in 123.1 ms (Link to these results)

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