A0A087Y2A7_POEFO Loading...

CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase

Functions in the biosynthesis of the anionic phospholipids phosphatidylglycerol and cardiolipin.

AlphaFold DB , UniProt , Accession A0A087Y2A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 543 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	32	Very low	244 Å²	244	151.4 Å²	151.4	100%	1.202	78%	0.783	S	S	*	*				0	76.7	0	-58.8	-170.5	-130.2	0	0	107
2	A	29.8	Very low	31.7	Very low	99 Å²	99	152.4 Å²	152.4	82%	0.818	78%	0.781	S	S	*	*				68.5	77	83.9	0	0	0	0	0	113.6
3	A	27.1	Very low	31.4	Very low	96 Å²	96	147.4 Å²	147.4	79%	0.793	77%	0.768	S	S	*	*				42	169.5	108	0	0	0	0	0	120.3
4	P	57.8	Low	31.3	Very low	108 Å²	108	147.2 Å²	147.2	70%	0.701	78%	0.775	S	S	*	*				-137.7	-159.9	-103.8	34.3	-9.2	0	0	0	114
5	M	30.1	Very low	31.2	Very low	160 Å²	160	151.3 Å²	151.3	79%	0.788	78%	0.778	S	S	*	*			trans	87.8	114.2	147.7	-92.2	-164.4	-83.7	0	0	122.6
6	T	30.5	Very low	31.2	Very low	108 Å²	108	148.3 Å²	148.3	66%	0.663	78%	0.775	S	S	*	*				56.9	131.4	123.9	53.1	0	0	0	0	125.5
7	W	28.5	Very low	31.6	Very low	204 Å²	204	146.8 Å²	146.8	77%	0.773	78%	0.776	S	S	*	*			trans	97.4	136.7	131.1	-87.8	53	0	0	0	123.2
8	R	26.3	Very low	31.4	Very low	202 Å²	202	143.8 Å²	143.8	76%	0.762	78%	0.776	S	S	*	*			trans	69.9	153.6	154.3	-76	178.2	-177.5	-160.4	8.1	118.7
9	R	27.8	Very low	31.5	Very low	204 Å²	204	145.1 Å²	145.1	77%	0.77	78%	0.78	S	S	*	*			cis	176.4	145.5	-24	-142.9	177.5	-173	-160.3	6.8	103.5
10	L	28.7	Very low	31.4	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	79%	0.787	S	S	*	*			trans	68.3	148.1	149.8	-84.1	155.6	0	0	0	117.5
11	V	29.2	Very low	31.3	Very low	101 Å²	101	139.5 Å²	139.5	61%	0.612	78%	0.78	S	S	*	*			cis	-161.9	152.6	11.4	-149.7	0	0	0	0	104.6
12	H	28.2	Very low	31.2	Very low	164 Å²	164	134.3 Å²	134.3	76%	0.759	76%	0.762	S	S	*	*				172.2	126.4	74.1	-106.8	-59.8	0	0	0	106.5
13	S	27.8	Very low	31.3	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	77%	0.769	S	S	*	*				92.5	115.5	87.7	175.1	0	0	0	0	113.7
14	V	29.2	Very low	31.6	Very low	145 Å²	145	140.7 Å²	140.7	88%	0.879	77%	0.767	S	S	*	*				-153	132.4	124.8	-176.2	0	0	0	0	109.1
15	Y	30.6	Very low	30.4	Very low	208 Å²	208	146.6 Å²	146.6	82%	0.816	78%	0.776	S	S	*	*			trans	-65.8	165.1	172.8	-93.2	-99.8	0	0	0	112.3
16	S	31.2	Very low	30.4	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	78%	0.781	S	S	*	*			cis	-175.5	-178	38.7	-122.9	0	0	0	0	109.8
17	P	37.1	Very low	30.5	Very low	122 Å²	122	147.2 Å²	147.2	79%	0.792	78%	0.784	S	S	*	*			trans	-122.7	163.8	-138.8	39.9	-22.7	0	0	0	117.2
18	A	28.6	Very low	30.6	Very low	93 Å²	93	144.8 Å²	144.8	77%	0.769	79%	0.786	S	S	*	*			trans	-162.5	130.4	155.7	0	0	0	0	0	105
19	I	33.3	Very low	30.9	Very low	168 Å²	168	146.1 Å²	146.1	86%	0.862	79%	0.791	S	S	*	*				-160.3	118.5	52.4	-72.6	165.9	0	0	0	105.9
20	A	29.6	Very low	31	Very low	110 Å²	110	145.8 Å²	145.8	91%	0.909	80%	0.796	S	S	*	*			trans	-131.4	115.1	162.2	0	0	0	0	0	106.6
21	G	29.9	Very low	31	Very low	63 Å²	63	149.1 Å²	149.1	65%	0.649	81%	0.805	S	S	*	*			trans	143.5	82.5	170.4	0	0	0	0	0	114.8
22	V	33.2	Very low	31	Very low	135 Å²	135	156.3 Å²	156.3	82%	0.818	82%	0.821	S	S	*	*			trans	-159.3	75.1	139.7	-173.5	0	0	0	0	108.1
23	F	32	Very low	31	Very low	221 Å²	221	153.3 Å²	153.3	97%	0.969	83%	0.825	S	S	*	*	S	Bend	trans	-156.3	57.4	158.3	-91.7	-69	0	0	0	109.1
24	S	33.1	Very low	31.1	Very low	108 Å²	108	158.3 Å²	158.3	76%	0.755	84%	0.838	S	S	*	*	S	Bend	trans	-150.7	32.5	171.8	62.3	0	0	0	0	113.1
25	R	32.6	Very low	31	Very low	233 Å²	233	158 Å²	158	88%	0.879	83%	0.832	S	S	*	*			trans	-145.5	88.6	170.1	-71.8	-172.2	-177.5	170.8	1.1	109.5
26	I	31.4	Very low	31	Very low	177 Å²	177	158.4 Å²	158.4	91%	0.908	83%	0.832	S	S	*	*	S	Bend	trans	-175.7	59.7	141.8	-76.2	140.7	0	0	0	105.4
27	S	32.9	Very low	30.8	Very low	103 Å²	103	165.3 Å²	165.3	72%	0.72	84%	0.842	S	S	*	*	S	Bend	trans	-125.1	-3.3	165.5	73.9	0	0	0	0	114.1
28	D	30.1	Very low	30.4	Very low	153 Å²	153	172 Å²	172	82%	0.818	85%	0.851	S	S	*	*	S	Bend	trans	-122.3	32.2	-172.5	-75.4	-23.4	0	0	0	114.4
29	R	31.6	Very low	30.4	Very low	231 Å²	231	171.1 Å²	171.1	87%	0.872	85%	0.852	S	S	*	*	S	Bend	trans	-128.9	19.6	178.6	-122.1	-177.3	-179.5	-172.9	-0.6	117.2
30	F	29.6	Very low	30.1	Very low	197 Å²	197	168.8 Å²	168.8	86%	0.864	85%	0.85	S	S	*	*	S	Bend	trans	-138.7	33.8	174.8	-89.9	-77.7	0	0	0	115
31	F	29.1	Very low	30	Very low	208 Å²	208	168.6 Å²	168.6	91%	0.912	85%	0.849	S	S	*	*	S	Bend	trans	-133.4	94.2	163	-89.1	-81.1	0	0	0	111.1
32	R	29.6	Very low	29.9	Very low	252 Å²	252	174 Å²	174	95%	0.951	86%	0.859	S	S	*	*			trans	153.5	84.5	142.5	-85.6	179	-167.1	-170.8	4.8	110.8
33	A	28.7	Very low	29.8	Very low	102 Å²	102	175.6 Å²	175.6	84%	0.843	86%	0.862	S	S	*	*			trans	-154.5	91.6	146.9	0	0	0	0	0	107.8
34	Q	29.3	Very low	29.8	Very low	191 Å²	191	173.4 Å²	173.4	89%	0.893	86%	0.86	S	S	*	*			trans	-65.7	146	151.8	-82.9	165.8	-54.1	0	0	106.4
35	D	28.6	Very low	29.8	Very low	139 Å²	139	176.4 Å²	176.4	74%	0.743	87%	0.867	S	S	*	*				-171.6	161.8	53.7	-159.7	3.8	0	0	0	111.7
36	R	28.6	Very low	29.5	Very low	217 Å²	217	169.2 Å²	169.2	82%	0.819	86%	0.857	S	S	*	*			trans	75.4	91.7	165	-65.7	-179.9	163.7	-174.4	-5.8	119.9
37	R	27.9	Very low	29.4	Very low	249 Å²	249	167 Å²	167	94%	0.94	85%	0.854	S	S	*	*				-173.3	130	103.2	-98.8	174.9	-176.1	-168.8	1.8	110.5
38	R	29.8	Very low	29.5	Very low	261 Å²	261	169.6 Å²	169.6	99%	0.985	86%	0.859	S	S	*	*			trans	-60.9	138.7	-179.2	-76.3	169.1	163.2	173.5	-6.3	112.2
39	G	27.4	Very low	29.7	Very low	75 Å²	75	170.2 Å²	170.2	77%	0.773	86%	0.861	S	S	*	*			trans	176.4	101.3	165.2	0	0	0	0	0	110.3	A41	G39-A41 PolarHBondContact O-N 3.4Å
40	S	27.8	Very low	29.7	Very low	120 Å²	120	163.5 Å²	163.5	84%	0.839	86%	0.856	S	S	*	*			trans	-50.8	123.4	-170.2	-65.2	0	0	0	0	115.3	M42	S40-M42 PolarHBondContact O-N 3.42Å
41	A	26.5	Very low	29.8	Very low	106 Å²	106	159.8 Å²	159.8	88%	0.876	85%	0.851	S	S	*	*			trans	-85.1	87.8	157.8	0	0	0	0	0	108.9	G39	G39-A41 PolarHBondContact O-N 3.4Å
42	M	27.8	Very low	29.9	Very low	175 Å²	175	154.8 Å²	154.8	86%	0.862	85%	0.848	S	S	*	*			trans	-151.1	56.5	172.9	-105.4	-79.7	-143.8	0	0	108.2	S40	S40-M42 PolarHBondContact O-N 3.42Å
43	L	31.4	Very low	30.2	Very low	169 Å²	169	151.4 Å²	151.4	89%	0.885	84%	0.843	S	S	*	*			trans	-147.9	27.9	179.6	-103.2	169.1	0	0	0	113.9
44	L	32.5	Very low	30.3	Very low	176 Å²	176	152.4 Å²	152.4	92%	0.921	84%	0.841	S	S	*	*	S	Bend	trans	-129.1	21.8	176.4	-94.9	164	0	0	0	114.6
45	L	31.7	Very low	30.6	Very low	171 Å²	171	147.3 Å²	147.3	90%	0.895	83%	0.832	S	S	*	*	S	Bend	trans	-138.6	121.9	167.7	-88.3	157.1	0	0	0	109.3
46	A	27.6	Very low	30.8	Very low	82 Å²	82	146.7 Å²	146.7	68%	0.678	84%	0.835	S	S	*	*			trans	83	135	178.7	0	0	0	0	0	116.3
47	P	29.2	Very low	30.7	Very low	131 Å²	131	147.5 Å²	147.5	85%	0.851	84%	0.838	S	S	*	*				-108.4	93.8	57.3	33.3	-26.4	0	0	0	114.2
48	L	35.4	Very low	30.7	Very low	157 Å²	157	144.9 Å²	144.9	82%	0.822	84%	0.836	S	S	*	*			trans	-76.7	114.3	131.2	-91.5	150.4	0	0	0	104.5
49	L	34.2	Very low	30.7	Very low	165 Å²	165	140.2 Å²	140.2	86%	0.864	83%	0.829	S	S	*	*			trans	139.7	72.8	171.6	-76.6	170.1	0	0	0	108.3
50	A	31.9	Very low	30.7	Very low	91 Å²	91	141.8 Å²	141.8	75%	0.752	83%	0.829	S	S	*	*			trans	-84.6	137.5	155.1	0	0	0	0	0	107.3
51	P	30.8	Very low	31	Very low	118 Å²	118	147 Å²	147	77%	0.766	83%	0.83	S	S	*	*			trans	-63	144.7	179	25.5	-31.6	0	0	0	110.6	E53	P51-E53 PolarHBondContact O-N 3.02Å; P51-E53 VanDerWaalsContact O-N 3.16Å
52	A	31.8	Very low	31.2	Very low	104 Å²	104	147.9 Å²	147.9	86%	0.86	83%	0.826	S	S	*	*			trans	-59.2	115.4	171.1	0	0	0	0	0	109.3
53	E	36	Very low	31.4	Very low	180 Å²	180	146.2 Å²	146.2	84%	0.841	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.4	144	170.6	-77.7	-170.1	160.3	0	0	110.2	P51	P51-E53 PolarHBondContact O-N 3.02Å; P51-E53 VanDerWaalsContact O-N 3.16Å
54	P	30.6	Very low	31.2	Very low	123 Å²	123	141.3 Å²	141.3	80%	0.799	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.7	151.8	-172.5	28.7	-32.4	0	0	0	111.6
55	A	34.1	Very low	31.2	Very low	84 Å²	84	138.8 Å²	138.8	69%	0.694	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-48.7	146.8	177.7	0	0	0	0	0	112.7	R57	A55-R57 PolarHBondContact O-N 3.47Å
56	P	32.7	Very low	31.3	Very low	126 Å²	126	135.2 Å²	135.2	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60.8	122.9	-178.1	24.2	-31.6	0	0	0	110	H58	P56-H58 PolarHBondContact O-N 3.17Å
57	R	28.2	Very low	31.5	Very low	235 Å²	235	133.6 Å²	133.6	89%	0.887	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.5	128.3	169.2	-71.5	-178.7	174.6	178.5	-2	108	A55 I59	A55-R57 PolarHBondContact O-N 3.47Å; R57-I59 PolarHBondContact O-N 3.16Å
58	H	28	Very low	31.8	Very low	193 Å²	193	133.9 Å²	133.9	89%	0.894	80%	0.802	S	S	*	*			trans	-51.1	111.1	167	-91.9	-86.6	0	0	0	109.3	P56 S60	P56-H58 PolarHBondContact O-N 3.17Å; H58-S60 PolarHBondContact O-N 3.1Å
59	I	28.5	Very low	32.1	Very low	163 Å²	163	135 Å²	135	84%	0.836	80%	0.803	S	S	*	*			trans	-81.1	110.2	166.6	-60.3	175.6	0	0	0	105.7	R57 R61	R57-I59 PolarHBondContact O-N 3.16Å; I59-R61 PolarHBondContact O-N 2.97Å
60	S	28.4	Very low	32.1	Very low	109 Å²	109	130 Å²	130	76%	0.762	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63.9	124.9	170.7	32.3	0	0	0	0	109.7	H58	H58-S60 PolarHBondContact O-N 3.1Å
61	R	34.1	Very low	32.3	Very low	229 Å²	229	131.6 Å²	131.6	86%	0.864	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-47.8	134	170.4	-89.4	173.5	158	169.5	-6.6	111.1	I59	I59-R61 PolarHBondContact O-N 2.97Å
62	P	29	Very low	33.1	Very low	124 Å²	124	132.3 Å²	132.3	81%	0.805	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.6	116.2	145.1	13.4	2.9	0	0	0	107.5	G64	P62-G64 VanDerWaalsContact C-N 3.3Å; P62-G64 PolarHBondContact O-N 3.42Å
63	T	33.3	Very low	34.6	Very low	140 Å²	140	129 Å²	129	86%	0.859	77%	0.771	S	S	*	*			trans	-67.9	90	165.6	41.1	0	0	0	0	108.6
64	G	28.1	Very low	36.2	Very low	67 Å²	67	121.7 Å²	121.7	69%	0.691	74%	0.737	S	S	*	*			trans	-98.4	112.5	163.5	0	0	0	0	0	108.7	P62 A66	P62-G64 VanDerWaalsContact C-N 3.3Å; P62-G64 PolarHBondContact O-N 3.42Å; G64-A66 PolarHBondContact O-N 3.38Å; G64-A66 VanDerWaalsContact O-N 3.1Å
65	S	32.5	Very low	37.9	Very low	123 Å²	123	117.4 Å²	117.4	86%	0.86	71%	0.71	S	S	*	*			trans	-62.4	103.8	169.2	52.1	0	0	0	0	109.5	G67	S65-G67 PolarHBondContact O-N 2.9Å
66	A	33.3	Very low	39.8	Very low	95 Å²	95	116.1 Å²	116.1	79%	0.785	70%	0.696	S	S	*	*			trans	-77.4	102.4	165.1	0	0	0	0	0	107.9	G64	G64-A66 PolarHBondContact O-N 3.38Å; G64-A66 VanDerWaalsContact O-N 3.1Å
67	G	32.3	Very low	42.4	Very low	48 Å²	48	113.8 Å²	113.8	50%	0.495	67%	0.674	S	S	.	*			trans	-65	171.7	160.8	0	0	0	0	0	110.6	S65 Q69	S65-G67 PolarHBondContact O-N 2.9Å; G67-Q69 PolarHBondContact O-N 3.26Å
68	P	35.3	Very low	45.4	Very low	138 Å²	138	102.8 Å²	102.8	90%	0.896	63%	0.633	S	S	*	*			trans	-64.1	104.7	-179.3	27.7	-30.9	0	0	0	108.3	G70	P68-G70 PolarHBondContact O-N 2.98Å; P68-G70 VanDerWaalsContact O-N 3.13Å
69	Q	41.5	Very low	48.2	Very low	180 Å²	180	101.8 Å²	101.8	84%	0.841	62%	0.621	S	S	*	*			trans	-67.4	111.6	167.2	-75.5	-176	-4.4	0	0	106.3	G67	G67-Q69 PolarHBondContact O-N 3.26Å
70	G	34.6	Very low	51.2	Low	59 Å²	59	95.6 Å²	95.6	61%	0.608	59%	0.587	S	S	*	*			trans	-58.6	167.7	168.2	0	0	0	0	0	110.8	P68 D72	P68-G70 PolarHBondContact O-N 2.98Å; P68-G70 VanDerWaalsContact O-N 3.13Å; G70-D72 PolarHBondContact O-N 3.15Å
71	S	35.7	Very low	54.3	Low	125 Å²	125	90.4 Å²	90.4	87%	0.874	55%	0.551	S	S	*	*			trans	-51.8	65.7	-178.5	58.8	0	0	0	0	115.7	G73	S71-G73 PolarHBondContact O-N 2.79Å; S71-G73 VanDerWaalsContact O-N 3.13Å
72	D	47.1	Very low	56.9	Low	133 Å²	133	80.7 Å²	80.7	71%	0.711	52%	0.519	S	S	*	.			trans	-65.9	106.8	153.3	-87	-15.1	0	0	0	105.4	G70 S76	G70-D72 PolarHBondContact O-N 3.15Å; D72-S76 VanDerWaalsContact C-OG 3.27Å; D72-S76 PolarHBondContact O-OG 3.26Å
73	G	63.3	Low	59.7	Low	36 Å²	36	81.2 Å²	81.2	37%	0.371	51%	0.511	S	S	.	.			trans	-50	156.3	-165.8	0	0	0	0	0	114.2	S71 C75 S76	S71-G73 PolarHBondContact O-N 2.79Å; S71-G73 VanDerWaalsContact O-N 3.13Å; G73-C75 PolarHBondContact O-N 3.03Å; G73-S76 WeakPolarHBondContact O-CA 3.43Å; G73-S76 WeakPolarHBondContact O-CB 3.27Å; G73-S76 PolarHBondContact O-N 3.16Å; G73-S76 PolarHBondContact O-OG 2.93Å
74	L	68.8	Low	62.2	Low	25 Å²	25	78.8 Å²	78.8	13%	0.131	49%	0.49	C	S	.	.	H	α-helix	trans	-47.9	-39.4	179	-96.4	166.3	0	0	0	112.9	S76 H77 L460 C467 E494	L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.11Å; L74-H77 PolarHBondContact O-N 3.13Å; L74-L460 HydrophobicContact CD2-CD1 3.48Å; L74-L460 VanDerWaalsContact CD2-CD1 3.48Å; L74-C467 HydrophobicContact CD1-CB 4.04Å; L74-C467 HydrophobicContact CD2-CB 3.28Å; L74-C467 VanDerWaalsContact CD2-SG 3.5Å; L74-C467 HydrophobicContact CG-CB 4.29Å; L74-E494 HydrophobicContact CB-CG 3.63Å; L74-E494 VanDerWaalsContact CB-OE1 3.31Å; L74-E494 WeakPolarHBondContact CB-OE1 3.48Å; L74-E494 HydrophobicContact CD1-CG 3.87Å; L74-E494 HydrophobicContact CG-CG 4.38Å; L74-E494 PolarHBondContact N-OE1 2.99Å
75	C	66.4	Low	65.2	Low	34 Å²	34	75.7 Å²	75.7	23%	0.23	46%	0.458	C	S	.	.	H	α-helix	trans	-62.7	-28	175.6	-66	0	0	0	0	114.4	G73 R79 W337 E494	G73-C75 PolarHBondContact O-N 3.03Å; C75-R79 WeakPolarHBondContact O-CB 3.04Å; C75-R79 PolarHBondContact O-N 2.88Å; C75-W337 VanDerWaalsContact SG-CD1 3.52Å; C75-E494 PolarHBondContact N-OE1 2.89Å; C75-E494 VanDerWaalsContact N-OE1 3.11Å; C75-E494 VanDerWaalsContact SG-CD 3.59Å; C75-E494 PolarHBondContact SG-OE1 3.26Å
76	S	75.2	Confident	68.2	Low	56 Å²	56	69.9 Å²	69.9	39%	0.392	42%	0.417	S	S	.	.	H	α-helix	trans	-68.8	-39.6	179.4	73.7	0	0	0	0	112.1	D72 G73 L74 F78 R79	D72-S76 VanDerWaalsContact C-OG 3.27Å; D72-S76 PolarHBondContact O-OG 3.26Å; G73-S76 WeakPolarHBondContact O-CA 3.43Å; G73-S76 WeakPolarHBondContact O-CB 3.27Å; G73-S76 PolarHBondContact O-N 3.16Å; G73-S76 PolarHBondContact O-OG 2.93Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.11Å; S76-F78 VanDerWaalsContact C-N 3.33Å; S76-F78 PolarHBondContact O-N 3.14Å; S76-R79 WeakPolarHBondContact O-CB 3.29Å; S76-R79 PolarHBondContact O-N 3.5Å
77	H	86.3	Confident	71.1	Confident	78 Å²	78	65.5 Å²	65.5	36%	0.361	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-38	-177.6	-174.1	85.5	0	0	0	112	L74 L460	L74-H77 PolarHBondContact O-N 3.13Å; H77-L460 HydrophobicContact CB-CD1 4.35Å
78	F	92.3	Very high	74	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.018	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	4.9	-177.9	-62.7	-66	0	0	0	114	S76 W80 M81 L359 Y458 L460 L468 V492	S76-F78 VanDerWaalsContact C-N 3.33Å; S76-F78 PolarHBondContact O-N 3.14Å; F78-W80 PolarHBondContact O-N 2.69Å; F78-W80 VanDerWaalsContact O-N 3.11Å; F78-M81 HydrophobicContact CB-CE 3.72Å; F78-M81 HydrophobicContact CD1-CE 4.22Å; F78-M81 HydrophobicContact CG-CE 4.24Å; F78-M81 PolarHBondContact O-N 3.14Å; F78-M81 VanDerWaalsContact O-N 3.1Å; F78-L359 HydrophobicContact CD1-CD2 3.93Å; F78-L359 HydrophobicContact CE1-CD2 3.83Å; F78-Y458 AromaticContact CZ-CD1 3.88Å; F78-Y458 HydrophobicContact CZ-CD1 3.88Å; F78-Y458 HydrophobicContact CZ-CE1 4.03Å; F78-Y458 HydrophobicContact CZ-CG 4.44Å; F78-L460 HydrophobicContact CE2-CD1 4.03Å; F78-L460 HydrophobicContact CE2-CG 4.41Å; F78-L460 HydrophobicContact CZ-CD1 4.41Å; F78-L460 HydrophobicContact CZ-CD2 4.42Å; F78-L460 HydrophobicContact CZ-CG 4.36Å; F78-L468 HydrophobicContact CD1-CD1 3.57Å; F78-L468 HydrophobicContact CD2-CD1 4.4Å; F78-L468 HydrophobicContact CE1-CD1 3.55Å; F78-L468 HydrophobicContact CE2-CB 4.2Å; F78-L468 HydrophobicContact CE2-CD1 4.38Å; F78-L468 HydrophobicContact CG-CD1 4.02Å; F78-L468 HydrophobicContact CZ-CB 4.12Å; F78-L468 HydrophobicContact CZ-CD1 3.97Å; F78-V492 HydrophobicContact CB-CG1 4.3Å; F78-V492 HydrophobicContact CB-CG2 3.96Å; F78-V492 HydrophobicContact CD2-CG1 3.7Å; F78-V492 HydrophobicContact CD2-CG2 4.13Å; F78-V492 HydrophobicContact CE2-CG1 4.49Å; F78-V492 HydrophobicContact CG-CG1 4.34Å; F78-V492 HydrophobicContact CG-CG2 4.08Å
79	R	86.4	Confident	76.7	Confident	172 Å²	172	61.6 Å²	61.6	65%	0.649	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.7	-174.7	-169.2	174.1	-175.9	133.1	4.1	113.8	C75 S76 M81 A82	C75-R79 WeakPolarHBondContact O-CB 3.04Å; C75-R79 PolarHBondContact O-N 2.88Å; S76-R79 WeakPolarHBondContact O-CB 3.29Å; S76-R79 PolarHBondContact O-N 3.5Å; R79-M81 PolarHBondContact O-N 3.06Å; R79-M81 VanDerWaalsContact O-N 3.08Å; R79-A82 WeakPolarHBondContact O-CB 3.42Å; R79-A82 PolarHBondContact O-N 2.87Å
80	W	92.4	Very high	79.2	Confident	32 Å²	32	53.4 Å²	53.4	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-55.9	-25.5	177.9	65.8	-98.1	0	0	0	113	F78 E83 V355 R358 L359	F78-W80 PolarHBondContact O-N 2.69Å; F78-W80 VanDerWaalsContact O-N 3.11Å; W80-E83 WeakPolarHBondContact O-CB 3.4Å; W80-E83 PolarHBondContact O-N 3.4Å; W80-V355 HydrophobicContact CH2-CB 4.28Å; W80-V355 HydrophobicContact CH2-CG1 3.85Å; W80-V355 HydrophobicContact CH2-CG2 4.4Å; W80-V355 HydrophobicContact CZ3-CG1 4.41Å; W80-V355 HydrophobicContact CZ3-CG2 4.17Å; W80-R358 HydrophobicContact CD2-CG 4.17Å; W80-R358 HydrophobicContact CE3-CG 4.03Å; W80-R358 HydrophobicContact CH2-CB 3.54Å; W80-R358 HydrophobicContact CH2-CG 3.52Å; W80-R358 HydrophobicContact CZ2-CB 4.06Å; W80-R358 HydrophobicContact CZ2-CG 3.65Å; W80-R358 HydrophobicContact CZ3-CB 3.89Å; W80-R358 HydrophobicContact CZ3-CG 3.71Å; W80-L359 HydrophobicContact CH2-CG 4.26Å; W80-L359 HydrophobicContact CZ2-CD2 3.84Å; W80-L359 HydrophobicContact CZ2-CG 3.93Å
81	M	93.2	Very high	82.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-42.4	174.4	-73.8	-167.5	-80.6	0	0	111.1	F78 R79 E83 Q84 I85 F339 V355 L468 A490 V492	F78-M81 HydrophobicContact CB-CE 3.72Å; F78-M81 HydrophobicContact CD1-CE 4.22Å; F78-M81 HydrophobicContact CG-CE 4.24Å; F78-M81 PolarHBondContact O-N 3.14Å; F78-M81 VanDerWaalsContact O-N 3.1Å; R79-M81 PolarHBondContact O-N 3.06Å; R79-M81 VanDerWaalsContact O-N 3.08Å; M81-E83 PolarHBondContact O-N 2.9Å; M81-E83 VanDerWaalsContact O-N 3.09Å; M81-Q84 PolarHBondContact O-N 3.49Å; M81-I85 HydrophobicContact CB-CD1 4.35Å; M81-I85 HydrophobicContact CB-CG1 4.44Å; M81-I85 WeakPolarHBondContact O-CG1 3.33Å; M81-I85 PolarHBondContact O-N 3.23Å; M81-F339 HydrophobicContact CB-CD1 3.69Å; M81-F339 HydrophobicContact CB-CE1 3.62Å; M81-F339 HydrophobicContact CB-CG 4.21Å; M81-F339 HydrophobicContact CB-CZ 4.1Å; M81-F339 HydrophobicContact CE-CD2 3.93Å; M81-F339 HydrophobicContact CE-CE2 3.81Å; M81-F339 HydrophobicContact CE-CZ 4.31Å; M81-F339 HydrophobicContact SD-CD2 4.25Å; M81-F339 HydrophobicContact SD-CG 4.32Å; M81-V355 HydrophobicContact CG-CG1 4.22Å; M81-V355 HydrophobicContact SD-CG1 3.71Å; M81-L468 HydrophobicContact CE-CD1 3.8Å; M81-A490 HydrophobicContact CE-CB 4.41Å; M81-A490 HydrophobicContact SD-CB 4.06Å; M81-V492 HydrophobicContact CE-CG2 3.74Å
82	A	89.1	Confident	85	Confident	25 Å²	25	45.6 Å²	45.6	21%	0.207	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-19.2	179.4	0	0	0	0	0	113.3	R79 A87 F339	R79-A82 WeakPolarHBondContact O-CB 3.42Å; R79-A82 PolarHBondContact O-N 2.87Å; A82-A87 HydrophobicContact CB-CB 3.97Å; A82-F339 HydrophobicContact CB-CE1 4.08Å
83	E	86.8	Confident	87.4	Confident	135 Å²	135	42.8 Å²	42.8	63%	0.631	23%	0.227	S	C	*	.	H	α-helix	trans	-77.4	-26.3	176.2	-58.3	177.4	173.8	0	0	112.3	W80 M81 R313	W80-E83 WeakPolarHBondContact O-CB 3.4Å; W80-E83 PolarHBondContact O-N 3.4Å; M81-E83 PolarHBondContact O-N 2.9Å; M81-E83 VanDerWaalsContact O-N 3.09Å; E83-R313 PolarHBondContact O-NH2 3.22Å
84	Q	85.6	Confident	89	Confident	89 Å²	89	43.3 Å²	43.3	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-103.9	-33.1	-171.4	-60.6	-176.1	20	0	0	112.8	M81	M81-Q84 PolarHBondContact O-N 3.49Å
85	I	92.1	Very high	90.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	21%	0.213	C	C	.	.	S	Bend	trans	-137.6	163.6	-169.9	54.9	170.2	0	0	0	111.4	M81 F339 L341 M351 V355	M81-I85 HydrophobicContact CB-CD1 4.35Å; M81-I85 HydrophobicContact CB-CG1 4.44Å; M81-I85 WeakPolarHBondContact O-CG1 3.33Å; M81-I85 PolarHBondContact O-N 3.23Å; I85-F339 HydrophobicContact CD1-CB 3.69Å; I85-F339 HydrophobicContact CD1-CD1 4.22Å; I85-F339 HydrophobicContact CD1-CG 4.35Å; I85-F339 HydrophobicContact CG1-CD1 4.35Å; I85-L341 HydrophobicContact CD1-CD2 3.19Å; I85-L341 HydrophobicContact CD1-CG 4.45Å; I85-M351 HydrophobicContact CG2-CB 4.17Å; I85-M351 HydrophobicContact CG2-CG 4.19Å; I85-M351 HydrophobicContact CG2-SD 4.05Å; I85-V355 HydrophobicContact CD1-CG2 4.11Å
86	P	94.4	Very high	92	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.218	C	C	.	.			trans	-54.9	143.9	171	-19.7	29.9	0	0	0	111.2	F88 F259 V309 A312 R313 P340	P86-F88 HydrophobicContact CB-CE2 4.43Å; P86-F88 HydrophobicContact CB-CZ 4.13Å; P86-F259 HydrophobicContact CG-CE2 4.11Å; P86-V309 HydrophobicContact CG-CG1 4.12Å; P86-A312 HydrophobicContact CB-CB 4.05Å; P86-A312 HydrophobicContact CG-CB 3.93Å; P86-R313 HydrophobicContact CB-CG 4.38Å; P86-R313 HydrophobicContact CG-CG 3.89Å; P86-P340 HydrophobicContact CB-CG 3.98Å; P86-P340 HydrophobicContact CG-CG 4.3Å; P86-P340 WeakPolarHBondContact O-CD 3.42Å
87	A	93.9	Very high	93.1	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	20%	0.202	C	C	.	.			trans	-137.2	129.3	173.4	0	0	0	0	0	110.2	A82 Q316 W337 F339	A82-A87 HydrophobicContact CB-CB 3.97Å; A87-Q316 WeakPolarHBondContact O-CG 3.35Å; A87-Q316 PolarHBondContact O-NE2 2.96Å; A87-Q316 VanDerWaalsContact O-NE2 3.15Å; A87-W337 HydrophobicContact CB-CE3 3.77Å; A87-W337 HydrophobicContact CB-CZ3 3.88Å; A87-F339 HydrophobicContact CB-CD1 3.44Å; A87-F339 VanDerWaalsContact CB-CD1 3.44Å; A87-F339 HydrophobicContact CB-CE1 3.28Å; A87-F339 HydrophobicContact CB-CG 4.49Å; A87-F339 HydrophobicContact CB-CZ 4.22Å
88	F	93.9	Very high	93.7	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.6	-179.5	-53.7	-63.5	0	0	0	109.6	P86 E255 V256 F259 A312 W337 V338 P340	P86-F88 HydrophobicContact CB-CE2 4.43Å; P86-F88 HydrophobicContact CB-CZ 4.13Å; F88-E255 HydrophobicContact CD1-CB 3.68Å; F88-E255 HydrophobicContact CE1-CB 4.04Å; F88-E255 HydrophobicContact CG-CB 4.24Å; F88-V256 HydrophobicContact CB-CG2 3.87Å; F88-V256 HydrophobicContact CD2-CB 4.45Å; F88-V256 HydrophobicContact CD2-CG2 3.84Å; F88-V256 HydrophobicContact CG-CG2 4.08Å; F88-F259 HydrophobicContact CE2-CB 3.84Å; F88-F259 HydrophobicContact CE2-CD2 4.47Å; F88-F259 HydrophobicContact CE2-CG 4.1Å; F88-F259 HydrophobicContact CZ-CB 3.78Å; F88-F259 HydrophobicContact CZ-CD2 4.23Å; F88-F259 HydrophobicContact CZ-CG 4.18Å; F88-A312 HydrophobicContact CZ-CB 4.28Å; F88-W337 CarbonylContact O-C 3.6Å; F88-W337 WeakPolarHBondContact O-CA 3.41Å; F88-V338 PolarHBondContact N-O 3.03Å; F88-V338 PolarHBondContact O-N 3.02Å; F88-P340 HydrophobicContact CD2-CG 4.4Å; F88-P340 HydrophobicContact CE2-CG 3.73Å
89	R	92.7	Very high	93.9	Very high	97 Å²	97	40.9 Å²	40.9	37%	0.366	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.2	171.2	-65.5	-167.3	79.8	-144.8	12.3	108.7	E334 T336 W337	R89-E334 HydrophobicContact CB-CB 3.9Å; R89-E334 HydrophobicContact CB-CG 4.35Å; R89-E334 VanDerWaalsContact CB-OE2 3.26Å; R89-E334 WeakPolarHBondContact CB-OE2 3.28Å; R89-E334 WeakPolarHBondContact CD-OE2 3.34Å; R89-E334 IonicContact CZ-OE2 3.91Å; R89-E334 PolarHBondContact NE-O 2.88Å; R89-E334 IonicContact NE-OE2 3.51Å; R89-E334 IonicContact NH1-OE2 3.8Å; R89-E334 PolarHBondContact NH1-OE2 3.37Å; R89-E334 PolarHBondContact NH2-O 3.29Å; R89-T336 WeakPolarHBondContact CA-O 3.16Å; R89-W337 VanDerWaalsContact CD-CH2 3.5Å; R89-W337 VanDerWaalsContact CD-CZ2 3.41Å; R89-W337 HydrophobicContact CG-CD2 3.79Å; R89-W337 HydrophobicContact CG-CE3 3.6Å; R89-W337 HydrophobicContact CG-CH2 3.34Å; R89-W337 HydrophobicContact CG-CZ2 3.51Å; R89-W337 HydrophobicContact CG-CZ3 3.37Å
90	V	93.9	Very high	94.4	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152	179	-58.5	0	0	0	0	109.3	G92 I95 C253 V256 T336 V338	V90-G92 PolarHBondContact O-N 2.94Å; V90-I95 HydrophobicContact CG2-CD1 3.83Å; V90-I95 HydrophobicContact CG2-CG1 4.34Å; V90-C253 HydrophobicContact CG1-CB 4.16Å; V90-V256 HydrophobicContact CG1-CG2 4.08Å; V90-T336 HydrophobicContact CG2-CG2 4.19Å; V90-T336 PolarHBondContact N-O 2.67Å; V90-T336 WeakPolarHBondContact O-CB 3.44Å; V90-T336 PolarHBondContact O-N 3.49Å; V90-T336 VanDerWaalsContact O-O 3.11Å; V90-V338 HydrophobicContact CG2-CG2 3.71Å
91	P	95.6	Very high	94.7	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.123	18%	0.175	C	C	.	.			trans	-64.2	128.9	168.2	-21.4	33.9	0	0	0	110.5	A93 H94 E332	P91-A93 PolarHBondContact O-N 3.22Å; P91-H94 WeakPolarHBondContact O-CB 3.38Å; P91-H94 PolarHBondContact O-N 3.2Å; P91-E332 HydrophobicContact CG-CB 4.44Å
92	G	96.1	Very high	95	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.9	-27.6	176.9	0	0	0	0	0	113.2	V90 H94 I95 D335 T336	V90-G92 PolarHBondContact O-N 2.94Å; G92-H94 PolarHBondContact O-N 2.78Å; G92-I95 PolarHBondContact O-N 2.97Å; G92-D335 WeakPolarHBondContact CA-OD1 3.5Å; G92-D335 PolarHBondContact N-OD1 3.38Å; G92-T336 WeakPolarHBondContact CA-OG1 3.36Å; G92-T336 PolarHBondContact N-OG1 3.23Å
93	A	96.9	Very high	95.4	Very high	74 Å²	74	40 Å²	40	61%	0.612	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-62.3	-21	174.1	0	0	0	0	0	114	P91 I95	P91-A93 PolarHBondContact O-N 3.22Å; A93-I95 VanDerWaalsContact C-N 3.29Å
94	H	97.4	Very high	96	Very high	46 Å²	46	33.6 Å²	33.6	21%	0.213	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-84.5	-4	176.2	-70.9	-173	0	0	0	113	P91 G92 E251	P91-H94 WeakPolarHBondContact O-CB 3.38Å; P91-H94 PolarHBondContact O-N 3.2Å; G92-H94 PolarHBondContact O-N 2.78Å; H94-E251 WeakPolarHBondContact CB-O 3.14Å; H94-E251 PolarHBondContact ND1-O 3.29Å; H94-E251 PolarHBondContact O-N 3.47Å
95	I	98.5	Very high	96.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.3	179	-55.6	178.9	0	0	0	109.1	V90 G92 A93 V248 L249 L250 T336 V338 I491 L498	V90-I95 HydrophobicContact CG2-CD1 3.83Å; V90-I95 HydrophobicContact CG2-CG1 4.34Å; G92-I95 PolarHBondContact O-N 2.97Å; A93-I95 VanDerWaalsContact C-N 3.29Å; I95-V248 HydrophobicContact CG2-CG1 3.57Å; I95-L249 WeakPolarHBondContact CA-O 3.46Å; I95-L250 HydrophobicContact CD1-CD2 4.24Å; I95-L250 HydrophobicContact CG1-CD2 4.23Å; I95-L250 HydrophobicContact CG1-CG 4.16Å; I95-T336 HydrophobicContact CD1-CG2 3.64Å; I95-V338 HydrophobicContact CD1-CG2 4.18Å; I95-I491 HydrophobicContact CD1-CG2 4.04Å; I95-I491 HydrophobicContact CG2-CD1 4.34Å; I95-L498 HydrophobicContact CB-CD1 3.93Å; I95-L498 HydrophobicContact CB-CD2 3.86Å; I95-L498 HydrophobicContact CD1-CD2 3.82Å; I95-L498 HydrophobicContact CG1-CD2 4.35Å; I95-L498 HydrophobicContact CG2-CD1 3.68Å; I95-L498 HydrophobicContact CG2-CD2 4.07Å
96	Q	98.6	Very high	96.9	Very high	73 Å²	73	33.6 Å²	33.6	34%	0.341	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.6	179.4	-66.9	174.9	17.6	0	0	110.6	L249 E251	Q96-L249 HydrophobicContact CB-CB 4.44Å; Q96-L249 PolarHBondContact N-O 3.25Å; Q96-L249 PolarHBondContact O-N 3.5Å; Q96-E251 PolarHBondContact NE2-OE2 3.03Å
97	I	98.6	Very high	97.1	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.6	173.9	-45.2	-57.8	0	0	0	108.5	M99 V248 L498 Q501 L502 E505	I97-M99 HydrophobicContact CG2-SD 4.27Å; I97-V248 HydrophobicContact CD1-CG1 4.36Å; I97-V248 HydrophobicContact CD1-CG2 3.59Å; I97-L498 HydrophobicContact CD1-CD1 4.05Å; I97-L498 HydrophobicContact CG1-CD1 4.32Å; I97-Q501 HydrophobicContact CB-CB 4.18Å; I97-Q501 HydrophobicContact CG1-CB 3.58Å; I97-L502 HydrophobicContact CD1-CD2 3.55Å; I97-L502 HydrophobicContact CD1-CG 4.25Å; I97-L502 HydrophobicContact CG1-CD2 4.14Å; I97-E505 HydrophobicContact CG2-CB 3.82Å; I97-E505 HydrophobicContact CG2-CG 3.8Å
98	L	98.6	Very high	97.3	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.2	177.3	-41.7	172.9	0	0	0	108.5	Q103 A107 Y247 L249	L98-Q103 HydrophobicContact CB-CB 4.07Å; L98-A107 HydrophobicContact CD1-CB 3.77Å; L98-Y247 PolarHBondContact N-O 2.92Å; L98-Y247 WeakPolarHBondContact O-CD2 3.5Å; L98-L249 HydrophobicContact CD1-CB 4.28Å; L98-L249 HydrophobicContact CD2-CB 4.38Å; L98-L249 HydrophobicContact CG-CB 4.35Å
99	M	97.4	Very high	97.5	Very high	49 Å²	49	35.2 Å²	35.2	24%	0.241	19%	0.186	C	C	.	.			trans	-85.3	-13.8	-167.3	-65.3	-65.3	-76.6	0	0	113.5	I97 E504 E505 T508	I97-M99 HydrophobicContact CG2-SD 4.27Å; M99-E504 HydrophobicContact CE-CG 3.88Å; M99-E505 HydrophobicContact SD-CB 4.02Å; M99-E505 HydrophobicContact SD-CG 4.36Å; M99-T508 HydrophobicContact CE-CG2 4.16Å; M99-T508 WeakPolarHBondContact CE-OG1 3.34Å
100	S	97.6	Very high	97.8	Very high	34 Å²	34	33.3 Å²	33.3	24%	0.238	19%	0.191	C	C	.	.	S	Bend	trans	-140.4	155	-173.6	80.6	0	0	0	0	114.1	D102 Q103 F104	S100-D102 PolarHBondContact O-N 3.16Å; S100-D102 PolarHBondContact OG-N 2.97Å; S100-Q103 PolarHBondContact O-N 2.92Å; S100-Q103 WeakPolarHBondContact OG-CG 3.42Å; S100-Q103 PolarHBondContact OG-N 3.2Å; S100-Q103 VanDerWaalsContact OG-N 3.12Å; S100-F104 PolarHBondContact O-N 3.41Å
101	P	98.3	Very high	98	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-53.7	-35.8	170.3	-30.2	38.7	0	0	0	114.2	F104 Y105 Y239 F240 R243 W449	P101-F104 WeakPolarHBondContact O-CB 3.21Å; P101-F104 PolarHBondContact O-N 2.96Å; P101-Y105 WeakPolarHBondContact O-CB 3.43Å; P101-Y105 PolarHBondContact O-N 3.22Å; P101-Y239 WeakPolarHBondContact CB-O 3.5Å; P101-F240 CarbonylContact C-O 3.58Å; P101-F240 VanDerWaalsContact CB-C 3.46Å; P101-R243 WeakPolarHBondContact CG-O 3.36Å; P101-W449 HydrophobicContact CG-CH2 4.17Å; P101-W449 HydrophobicContact CG-CZ3 3.8Å
102	D	98	Very high	98.1	Very high	88 Å²	88	32.4 Å²	32.4	47%	0.471	19%	0.188	S	C	.	.	H	α-helix	trans	-67	-48.3	178	177.1	-92.4	0	0	0	110.9	S100 F104 Y105 Q106	S100-D102 PolarHBondContact O-N 3.16Å; S100-D102 PolarHBondContact OG-N 2.97Å; D102-F104 VanDerWaalsContact C-N 3.27Å; D102-F104 PolarHBondContact O-N 3.13Å; D102-Y105 PolarHBondContact O-N 3.22Å; D102-Y105 VanDerWaalsContact O-N 3.09Å; D102-Q106 WeakPolarHBondContact O-CG 3.37Å; D102-Q106 PolarHBondContact O-N 2.73Å
103	Q	98.6	Very high	98.1	Very high	86 Å²	86	38.6 Å²	38.6	40%	0.402	21%	0.211	S	C	.	.	H	α-helix	trans	-58.6	-41.6	175.9	-73.2	175.7	-3.9	0	0	111.4	L98 S100 Q106 A107	L98-Q103 HydrophobicContact CB-CB 4.07Å; S100-Q103 PolarHBondContact O-N 2.92Å; S100-Q103 WeakPolarHBondContact OG-CG 3.42Å; S100-Q103 PolarHBondContact OG-N 3.2Å; S100-Q103 VanDerWaalsContact OG-N 3.12Å; Q103-Q106 PolarHBondContact O-N 2.97Å; Q103-A107 WeakPolarHBondContact O-CB 3.49Å; Q103-A107 PolarHBondContact O-N 3.17Å
104	F	98.6	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-49.1	173.3	167.7	-120.9	0	0	0	112.3	S100 P101 D102 A107 M108 Y222 I229 A233 F240 Y247	S100-F104 PolarHBondContact O-N 3.41Å; P101-F104 WeakPolarHBondContact O-CB 3.21Å; P101-F104 PolarHBondContact O-N 2.96Å; D102-F104 VanDerWaalsContact C-N 3.27Å; D102-F104 PolarHBondContact O-N 3.13Å; F104-A107 PolarHBondContact O-N 2.88Å; F104-M108 HydrophobicContact CD1-CE 3.82Å; F104-M108 HydrophobicContact CD2-CE 4.17Å; F104-M108 HydrophobicContact CD2-CG 4.27Å; F104-M108 HydrophobicContact CD2-SD 4.33Å; F104-M108 HydrophobicContact CE1-CE 3.4Å; F104-M108 HydrophobicContact CE1-SD 4.07Å; F104-M108 HydrophobicContact CE2-CE 3.77Å; F104-M108 HydrophobicContact CE2-CG 3.88Å; F104-M108 HydrophobicContact CE2-SD 3.53Å; F104-M108 VanDerWaalsContact CE2-SD 3.53Å; F104-M108 HydrophobicContact CG-CE 4.19Å; F104-M108 HydrophobicContact CZ-CE 3.37Å; F104-M108 HydrophobicContact CZ-CG 4.33Å; F104-M108 HydrophobicContact CZ-SD 3.37Å; F104-M108 WeakPolarHBondContact CZ-SD 3.33Å; F104-M108 WeakPolarHBondContact O-CG 3.47Å; F104-M108 PolarHBondContact O-N 3.17Å; F104-Y222 AromaticContact CE2-CD2 3.76Å; F104-Y222 HydrophobicContact CE2-CD2 3.76Å; F104-Y222 AromaticContact CE2-CE2 3.84Å; F104-Y222 HydrophobicContact CE2-CE2 3.84Å; F104-Y222 AromaticContact CZ-CD2 3.92Å; F104-Y222 HydrophobicContact CZ-CD2 3.92Å; F104-Y222 AromaticContact CZ-CE2 3.56Å; F104-Y222 HydrophobicContact CZ-CE2 3.56Å; F104-I229 HydrophobicContact CD2-CG2 3.97Å; F104-I229 HydrophobicContact CE2-CG2 3.87Å; F104-A233 HydrophobicContact CE1-CB 3.94Å; F104-A233 HydrophobicContact CZ-CB 4.3Å; F104-F240 HydrophobicContact CD1-CD1 4.21Å; F104-F240 HydrophobicContact CD1-CE1 4.48Å; F104-F240 HydrophobicContact CE1-CD1 4.04Å; F104-F240 AromaticContact CE1-CE1 3.87Å; F104-F240 HydrophobicContact CE1-CE1 3.87Å; F104-Y247 HydrophobicContact CB-CD1 3.5Å; F104-Y247 HydrophobicContact CB-CD2 4.24Å; F104-Y247 HydrophobicContact CB-CE1 3.69Å; F104-Y247 HydrophobicContact CB-CE2 4.41Å; F104-Y247 HydrophobicContact CB-CG 3.8Å; F104-Y247 AromaticContact CD1-CD1 3.78Å; F104-Y247 HydrophobicContact CD1-CD1 3.78Å; F104-Y247 AromaticContact CD1-CE1 3.38Å; F104-Y247 HydrophobicContact CD1-CE1 3.38Å; F104-Y247 AromaticContact CD2-CD1 3.48Å; F104-Y247 HydrophobicContact CD2-CD1 3.48Å; F104-Y247 VanDerWaalsContact CD2-CD1 3.48Å; F104-Y247 HydrophobicContact CD2-CE1 4.01Å; F104-Y247 HydrophobicContact CD2-CG 4.28Å; F104-Y247 HydrophobicContact CE1-CD1 4.34Å; F104-Y247 AromaticContact CE1-CE1 3.95Å; F104-Y247 HydrophobicContact CE1-CE1 3.95Å; F104-Y247 HydrophobicContact CE2-CD1 4.1Å; F104-Y247 AromaticContact CG-CD1 3.28Å; F104-Y247 HydrophobicContact CG-CD1 3.28Å; F104-Y247 AromaticContact CG-CE1 3.41Å; F104-Y247 HydrophobicContact CG-CE1 3.41Å; F104-Y247 VanDerWaalsContact CG-CE1 3.41Å; F104-Y247 HydrophobicContact CG-CG 4.08Å; F104-Y247 HydrophobicContact CZ-CD1 4.49Å; F104-Y247 HydrophobicContact CZ-CE1 4.48Å
105	Y	98.7	Very high	97.9	Very high	8 Å²	8	37.1 Å²	37.1	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-43.9	179.5	-178.4	-120.6	0	0	0	112.4	P101 D102 M108 K109 L131 E134 L135 F240	P101-Y105 WeakPolarHBondContact O-CB 3.43Å; P101-Y105 PolarHBondContact O-N 3.22Å; D102-Y105 PolarHBondContact O-N 3.22Å; D102-Y105 VanDerWaalsContact O-N 3.09Å; Y105-M108 HydrophobicContact CD2-CE 4.23Å; Y105-M108 PolarHBondContact O-N 3.32Å; Y105-K109 HydrophobicContact CD1-CD 4.19Å; Y105-K109 HydrophobicContact CE1-CD 3.67Å; Y105-K109 HydrophobicContact CE2-CD 4.02Å; Y105-K109 HydrophobicContact CE2-CG 4.37Å; Y105-K109 WeakPolarHBondContact O-CG 3.46Å; Y105-K109 PolarHBondContact O-N 3.07Å; Y105-L131 HydrophobicContact CE1-CD2 4.02Å; Y105-L131 HydrophobicContact CE2-CB 4.33Å; Y105-L131 PolarHBondContact OH-O 2.85Å; Y105-E134 VanDerWaalsContact OH-CB 3.24Å; Y105-E134 WeakPolarHBondContact OH-CB 3.17Å; Y105-E134 PolarHBondContact OH-OE2 3.01Å; Y105-L135 HydrophobicContact CE2-CB 4.5Å; Y105-L135 HydrophobicContact CE2-CD1 4.41Å; Y105-F240 HydrophobicContact CD2-CB 4.06Å; Y105-F240 AromaticContact CD2-CD1 3.86Å; Y105-F240 HydrophobicContact CD2-CD1 3.86Å; Y105-F240 AromaticContact CD2-CD2 3.69Å; Y105-F240 HydrophobicContact CD2-CD2 3.69Å; Y105-F240 HydrophobicContact CD2-CE1 4.22Å; Y105-F240 AromaticContact CD2-CE2 3.98Å; Y105-F240 HydrophobicContact CD2-CE2 3.98Å; Y105-F240 AromaticContact CD2-CG 3.6Å; Y105-F240 HydrophobicContact CD2-CG 3.6Å; Y105-F240 HydrophobicContact CD2-CZ 4.24Å; Y105-F240 AromaticContact CE2-CD2 3.81Å; Y105-F240 HydrophobicContact CE2-CD2 3.81Å; Y105-F240 AromaticContact CE2-CE2 3.94Å; Y105-F240 HydrophobicContact CE2-CE2 3.94Å; Y105-F240 HydrophobicContact CE2-CG 4.19Å; Y105-F240 HydrophobicContact CG-CB 3.99Å; Y105-F240 HydrophobicContact CG-CD1 4.37Å; Y105-F240 HydrophobicContact CG-CD2 4.45Å; Y105-F240 HydrophobicContact CG-CG 4.03Å
106	Q	98.6	Very high	97.7	Very high	85 Å²	85	42.8 Å²	42.8	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-41.8	177.3	-62.2	-51.5	-30	0	0	112.1	D102 Q103 M108 K109 A110	D102-Q106 WeakPolarHBondContact O-CG 3.37Å; D102-Q106 PolarHBondContact O-N 2.73Å; Q103-Q106 PolarHBondContact O-N 2.97Å; Q106-M108 VanDerWaalsContact C-N 3.32Å; Q106-M108 PolarHBondContact O-N 3.27Å; Q106-K109 PolarHBondContact O-N 3.25Å; Q106-A110 WeakPolarHBondContact O-CB 3.42Å; Q106-A110 PolarHBondContact O-N 2.95Å
107	A	98.6	Very high	97.5	Very high	22 Å²	22	44.5 Å²	44.5	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-41.5	176.6	0	0	0	0	0	111.5	L98 Q103 F104 A110 G111 I229	L98-A107 HydrophobicContact CD1-CB 3.77Å; Q103-A107 WeakPolarHBondContact O-CB 3.49Å; Q103-A107 PolarHBondContact O-N 3.17Å; F104-A107 PolarHBondContact O-N 2.88Å; A107-A110 PolarHBondContact O-N 3.49Å; A107-G111 PolarHBondContact O-N 2.94Å; A107-I229 HydrophobicContact CB-CD1 3.95Å
108	M	98.4	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-47.2	173.4	-72.8	-171.5	-65.6	0	0	112.3	F104 Y105 Q106 A110 G111 I112 L135 Y222 F224 I229 L235 F240	F104-M108 HydrophobicContact CD1-CE 3.82Å; F104-M108 HydrophobicContact CD2-CE 4.17Å; F104-M108 HydrophobicContact CD2-CG 4.27Å; F104-M108 HydrophobicContact CD2-SD 4.33Å; F104-M108 HydrophobicContact CE1-CE 3.4Å; F104-M108 HydrophobicContact CE1-SD 4.07Å; F104-M108 HydrophobicContact CE2-CE 3.77Å; F104-M108 HydrophobicContact CE2-CG 3.88Å; F104-M108 HydrophobicContact CE2-SD 3.53Å; F104-M108 VanDerWaalsContact CE2-SD 3.53Å; F104-M108 HydrophobicContact CG-CE 4.19Å; F104-M108 HydrophobicContact CZ-CE 3.37Å; F104-M108 HydrophobicContact CZ-CG 4.33Å; F104-M108 HydrophobicContact CZ-SD 3.37Å; F104-M108 WeakPolarHBondContact CZ-SD 3.33Å; F104-M108 WeakPolarHBondContact O-CG 3.47Å; F104-M108 PolarHBondContact O-N 3.17Å; Y105-M108 HydrophobicContact CD2-CE 4.23Å; Y105-M108 PolarHBondContact O-N 3.32Å; Q106-M108 VanDerWaalsContact C-N 3.32Å; Q106-M108 PolarHBondContact O-N 3.27Å; M108-A110 VanDerWaalsContact C-N 3.32Å; M108-A110 PolarHBondContact O-N 3.05Å; M108-G111 PolarHBondContact O-N 3.23Å; M108-I112 VanDerWaalsContact O-CG1 3.26Å; M108-I112 WeakPolarHBondContact O-CG1 3.26Å; M108-I112 PolarHBondContact O-N 2.95Å; M108-L135 HydrophobicContact CB-CD1 4.17Å; M108-Y222 HydrophobicContact SD-CD1 4.38Å; M108-Y222 HydrophobicContact SD-CD2 4.27Å; M108-Y222 HydrophobicContact SD-CG 4.11Å; M108-F224 HydrophobicContact CB-CZ 4.14Å; M108-F224 HydrophobicContact CG-CZ 4.12Å; M108-I229 HydrophobicContact CG-CD1 3.9Å; M108-L235 HydrophobicContact CE-CD2 4.21Å; M108-L235 HydrophobicContact SD-CD2 3.69Å; M108-F240 HydrophobicContact CE-CD1 4.06Å; M108-F240 HydrophobicContact CE-CE1 3.52Å; M108-F240 HydrophobicContact CE-CZ 4.15Å
109	K	98.6	Very high	97.4	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.096	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-41.1	178.8	-72.1	178.9	74.1	164.2	0	111.8	Y105 Q106 R113 E134 L135 C138	Y105-K109 HydrophobicContact CD1-CD 4.19Å; Y105-K109 HydrophobicContact CE1-CD 3.67Å; Y105-K109 HydrophobicContact CE2-CD 4.02Å; Y105-K109 HydrophobicContact CE2-CG 4.37Å; Y105-K109 WeakPolarHBondContact O-CG 3.46Å; Y105-K109 PolarHBondContact O-N 3.07Å; Q106-K109 PolarHBondContact O-N 3.25Å; K109-R113 WeakPolarHBondContact O-CG 3.23Å; K109-R113 PolarHBondContact O-N 3.46Å; K109-E134 IonicContact NZ-OE2 3.14Å; K109-E134 PolarHBondContact NZ-OE2 3.23Å; K109-L135 HydrophobicContact CG-CD1 4.01Å; K109-C138 VanDerWaalsContact CE-SG 3.59Å
110	A	98.4	Very high	97.5	Very high	57 Å²	57	43 Å²	43	47%	0.471	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-48.1	175.9	0	0	0	0	0	111.2	Q106 A107 M108 I112 R113 S114	Q106-A110 WeakPolarHBondContact O-CB 3.42Å; Q106-A110 PolarHBondContact O-N 2.95Å; A107-A110 PolarHBondContact O-N 3.49Å; M108-A110 VanDerWaalsContact C-N 3.32Å; M108-A110 PolarHBondContact O-N 3.05Å; A110-I112 PolarHBondContact O-N 3.44Å; A110-R113 PolarHBondContact O-N 2.95Å; A110-S114 PolarHBondContact O-N 3.5Å; A110-S114 PolarHBondContact O-OG 3.35Å
111	G	98	Very high	97.5	Very high	9 Å²	9	41.5 Å²	41.5	9%	0.093	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-43.4	177.8	0	0	0	0	0	113.4	A107 M108 R113 S114 A115 F224	A107-G111 PolarHBondContact O-N 2.94Å; M108-G111 PolarHBondContact O-N 3.23Å; G111-R113 VanDerWaalsContact C-N 3.32Å; G111-R113 PolarHBondContact O-N 3.19Å; G111-S114 PolarHBondContact O-N 3.38Å; G111-S114 PolarHBondContact O-OG 3.32Å; G111-A115 WeakPolarHBondContact O-CB 3.5Å; G111-A115 PolarHBondContact O-N 2.59Å; G111-F224 VanDerWaalsContact C-CG 3.48Å; G111-F224 WeakPolarHBondContact O-CB 3.31Å
112	I	98	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-44.6	176.5	-67.7	165.2	0	0	0	111	M108 A110 V119 M121 L135 C138 M139 A142 F224	M108-I112 VanDerWaalsContact O-CG1 3.26Å; M108-I112 WeakPolarHBondContact O-CG1 3.26Å; M108-I112 PolarHBondContact O-N 2.95Å; A110-I112 PolarHBondContact O-N 3.44Å; I112-V119 HydrophobicContact CG1-CG1 4.34Å; I112-M121 HydrophobicContact CD1-CE 3.52Å; I112-M121 HydrophobicContact CG1-CE 3.64Å; I112-L135 HydrophobicContact CD1-CD1 3.39Å; I112-L135 HydrophobicContact CD1-CG 3.89Å; I112-C138 HydrophobicContact CB-CB 4.45Å; I112-C138 HydrophobicContact CD1-CB 4.39Å; I112-C138 HydrophobicContact CG2-CB 3.95Å; I112-C138 WeakPolarHBondContact CG2-O 3.45Å; I112-M139 HydrophobicContact CD1-CG 4Å; I112-M139 HydrophobicContact CG1-CG 4.39Å; I112-M139 HydrophobicContact CG2-CB 4.38Å; I112-M139 HydrophobicContact CG2-CG 3.88Å; I112-A142 HydrophobicContact CG2-CB 4.14Å; I112-A142 WeakPolarHBondContact O-CB 3.48Å; I112-F224 HydrophobicContact CD1-CE1 4.48Å; I112-F224 HydrophobicContact CG1-CD1 4.04Å; I112-F224 HydrophobicContact CG1-CE1 3.52Å; I112-F224 HydrophobicContact CG1-CZ 4.44Å
113	R	96.1	Very high	97.5	Very high	130 Å²	130	37.2 Å²	37.2	49%	0.491	19%	0.188	S	C	.	.	H	α-helix	trans	-71.7	-30.3	-176.5	-72.5	177	179.6	138.7	-5.2	113.2	K109 A110 G111 C138 E141	K109-R113 WeakPolarHBondContact O-CG 3.23Å; K109-R113 PolarHBondContact O-N 3.46Å; A110-R113 PolarHBondContact O-N 2.95Å; G111-R113 VanDerWaalsContact C-N 3.32Å; G111-R113 PolarHBondContact O-N 3.19Å; R113-C138 PolarHBondContact NH2-SG 3.28Å; R113-C138 VanDerWaalsContact NH2-SG 3.42Å; R113-E141 IonicContact NE-OE2 2.79Å
114	S	94.5	Very high	97.5	Very high	79 Å²	79	34.1 Å²	34.1	55%	0.552	17%	0.174	S	C	*	.	H	α-helix	trans	-86	-18.9	179.2	63.3	0	0	0	0	113.4	A110 G111 Q116	A110-S114 PolarHBondContact O-N 3.5Å; A110-S114 PolarHBondContact O-OG 3.35Å; G111-S114 PolarHBondContact O-N 3.38Å; G111-S114 PolarHBondContact O-OG 3.32Å; S114-Q116 WeakPolarHBondContact O-CG 3.21Å
115	A	95.6	Very high	97.4	Very high	10 Å²	10	36.3 Å²	36.3	8%	0.083	18%	0.183	C	C	.	.			trans	-61	134.8	-176.9	0	0	0	0	0	112.7	G111 V119 L155 F224 D225	G111-A115 WeakPolarHBondContact O-CB 3.5Å; G111-A115 PolarHBondContact O-N 2.59Å; A115-V119 HydrophobicContact CB-CG2 3.57Å; A115-L155 HydrophobicContact CB-CD1 4.07Å; A115-F224 HydrophobicContact CB-CB 4.44Å; A115-D225 WeakPolarHBondContact CA-OD2 3.4Å
116	Q	93.6	Very high	97.4	Very high	120 Å²	120	36.1 Å²	36.1	56%	0.561	18%	0.183	S	C	*	.	S	Bend	trans	-116.2	-24.5	-177.8	-58.4	-170.7	-3.9	0	0	113.4	S114 D225	S114-Q116 WeakPolarHBondContact O-CG 3.21Å; Q116-D225 PolarHBondContact N-OD1 3.39Å; Q116-D225 PolarHBondContact N-OD2 3.33Å
117	R	94.5	Very high	97.3	Very high	108 Å²	108	32.5 Å²	32.5	41%	0.408	17%	0.168	S	C	.	.	S	Bend	trans	-119.5	-48.1	-174.5	-57.9	179.2	-65.6	159	2.5	112.4	L155 K156 D225 D226	R117-L155 WeakPolarHBondContact O-CA 3.17Å; R117-K156 PolarHBondContact O-N 3.13Å; R117-D225 WeakPolarHBondContact CA-OD1 3.33Å; R117-D225 WeakPolarHBondContact CB-OD1 3.49Å; R117-D225 PolarHBondContact N-OD1 2.69Å; R117-D226 IonicContact CZ-OD1 2.89Å; R117-D226 IonicContact CZ-OD2 3.39Å; R117-D226 IonicContact NH2-OD1 3.79Å; R117-D226 PolarHBondContact NH2-OD1 3.33Å; R117-D226 IonicContact NH2-OD2 3.38Å; R117-D226 PolarHBondContact NH2-OD2 3.32Å
118	R	96.8	Very high	97.2	Very high	38 Å²	38	34.5 Å²	34.5	14%	0.143	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.4	-176.9	60.4	177.9	-179.4	-158	-6.9	113.8	K156 L223 D225 D226 D258 S261	R118-K156 CarbonylContact C-O 3.58Å; R118-K156 VanDerWaalsContact CA-O 3.3Å; R118-K156 WeakPolarHBondContact CA-O 3.32Å; R118-L223 HydrophobicContact CG-CD2 3.74Å; R118-D225 VanDerWaalsContact CZ-O 3.32Å; R118-D225 PolarHBondContact N-OD1 3.11Å; R118-D225 PolarHBondContact NE-O 3.4Å; R118-D225 PolarHBondContact NH2-O 3.33Å; R118-D225 PolarHBondContact O-N 3.05Å; R118-D226 IonicContact NH2-OD1 2.63Å; R118-D258 IonicContact CZ-OD1 2.92Å; R118-D258 IonicContact NH1-OD1 3.04Å; R118-D258 PolarHBondContact NH1-OD1 2.94Å; R118-D258 IonicContact NH2-OD1 3.72Å; R118-D258 PolarHBondContact NH2-OD1 3.33Å; R118-S261 PolarHBondContact NH1-OG 2.59Å
119	V	98.5	Very high	97.1	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.9	162.2	176.5	0	0	0	0	107.5	I112 A115 M121 L155 K156 V157 S158 L223 F224	I112-V119 HydrophobicContact CG1-CG1 4.34Å; A115-V119 HydrophobicContact CB-CG2 3.57Å; V119-M121 HydrophobicContact CG1-CE 3.68Å; V119-M121 HydrophobicContact CG1-CG 4.19Å; V119-M121 HydrophobicContact CG1-SD 4.39Å; V119-L155 HydrophobicContact CG2-CD1 4.27Å; V119-K156 PolarHBondContact N-O 3.39Å; V119-V157 HydrophobicContact CB-CG2 4.17Å; V119-V157 CarbonylContact O-C 3.51Å; V119-V157 WeakPolarHBondContact O-CA 3.48Å; V119-S158 PolarHBondContact O-N 3.44Å; V119-L223 CarbonylContact C-O 3.55Å; V119-L223 WeakPolarHBondContact CA-O 3.4Å; V119-F224 HydrophobicContact CG1-CD1 4.25Å; V119-F224 HydrophobicContact CG1-CE1 4.27Å; V119-F224 HydrophobicContact CG2-CD1 4.43Å
120	V	98.8	Very high	97.1	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.2	178.4	-176.7	0	0	0	0	109.4	S158 Y222 L223 V264	V120-S158 CarbonylContact C-O 3.59Å; V120-S158 WeakPolarHBondContact CA-O 3.46Å; V120-Y222 WeakPolarHBondContact O-CA 3.46Å; V120-L223 HydrophobicContact CB-CB 4.15Å; V120-L223 HydrophobicContact CB-CD2 4.28Å; V120-L223 HydrophobicContact CG2-CD2 4.03Å; V120-L223 PolarHBondContact N-O 3.45Å; V120-L223 PolarHBondContact O-N 3.21Å; V120-V264 HydrophobicContact CG1-CB 3.84Å; V120-V264 HydrophobicContact CG1-CG1 3.5Å; V120-V264 HydrophobicContact CG1-CG2 4.18Å
121	M	98.6	Very high	97.1	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.1	-177.8	-59.7	-62.6	-165.5	0	0	109.7	I112 V119 M139 S158 V159 L160 Y222 F224	I112-M121 HydrophobicContact CD1-CE 3.52Å; I112-M121 HydrophobicContact CG1-CE 3.64Å; V119-M121 HydrophobicContact CG1-CE 3.68Å; V119-M121 HydrophobicContact CG1-CG 4.19Å; V119-M121 HydrophobicContact CG1-SD 4.39Å; M121-M139 HydrophobicContact CE-SD 4.38Å; M121-M139 HydrophobicContact CG-SD 4.44Å; M121-S158 PolarHBondContact N-O 3.32Å; M121-V159 HydrophobicContact CB-CG1 4.29Å; M121-V159 HydrophobicContact CB-CG2 4.33Å; M121-V159 CarbonylContact O-C 3.57Å; M121-V159 WeakPolarHBondContact O-CA 3.4Å; M121-L160 PolarHBondContact O-N 2.88Å; M121-Y222 HydrophobicContact SD-CD1 3.65Å; M121-Y222 HydrophobicContact SD-CG 4.34Å; M121-F224 HydrophobicContact CE-CE1 3.62Å; M121-F224 HydrophobicContact CE-CZ 4.15Å; M121-F224 HydrophobicContact SD-CE1 4.4Å
122	A	98.8	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.5	168.4	0	0	0	0	0	109.4	L160 I219 K220 V221 Y222 V264	A122-L160 WeakPolarHBondContact CA-O 3.47Å; A122-L160 HydrophobicContact CB-CB 4.35Å; A122-L160 HydrophobicContact CB-CD2 4.42Å; A122-I219 CarbonylContact C-O 3.58Å; A122-I219 HydrophobicContact CB-CB 4.41Å; A122-I219 HydrophobicContact CB-CG2 4.03Å; A122-K220 VanDerWaalsContact O-CA 3.29Å; A122-K220 WeakPolarHBondContact O-CA 3.36Å; A122-V221 HydrophobicContact CB-CB 4.27Å; A122-V221 PolarHBondContact N-O 3.49Å; A122-V221 PolarHBondContact O-N 3.18Å; A122-V221 VanDerWaalsContact O-N 3.13Å; A122-Y222 WeakPolarHBondContact O-CE1 3.36Å; A122-V264 HydrophobicContact CB-CG1 4.35Å; A122-V264 HydrophobicContact CB-CG2 3.78Å
123	S	98.3	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.			trans	-156.6	159.3	178	172.7	0	0	0	0	109.7	Y125 L160 L161 Q217 I219 L235	S123-Y125 VanDerWaalsContact C-N 3.25Å; S123-Y125 PolarHBondContact O-N 3.18Å; S123-Y125 PolarHBondContact OG-N 2.99Å; S123-Y125 PolarHBondContact OG-O 3.48Å; S123-L160 PolarHBondContact N-O 3.19Å; S123-L160 VanDerWaalsContact N-O 3.12Å; S123-L161 WeakPolarHBondContact O-CA 3.33Å; S123-L161 WeakPolarHBondContact O-CD2 3.25Å; S123-Q217 PolarHBondContact O-OE1 3.42Å; S123-I219 WeakPolarHBondContact CA-O 3.5Å; S123-I219 PolarHBondContact N-O 3.22Å; S123-L235 PolarHBondContact OG-N 2.85Å
124	L	96.8	Very high	97.2	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.105	21%	0.211	C	C	.	.	S	Bend	trans	-58.5	-41.6	174.4	-179.8	65.7	0	0	0	111.5	D162 R165 V216 Q217 N234	L124-D162 HydrophobicContact CD1-CB 3.98Å; L124-D162 WeakPolarHBondContact O-CB 3.44Å; L124-D162 PolarHBondContact O-N 3.42Å; L124-R165 HydrophobicContact CD1-CG 3.76Å; L124-R165 HydrophobicContact CD2-CG 4.45Å; L124-R165 HydrophobicContact CG-CB 4.42Å; L124-R165 HydrophobicContact CG-CG 3.93Å; L124-V216 HydrophobicContact CD1-CB 3.76Å; L124-V216 HydrophobicContact CD1-CG1 4.3Å; L124-V216 HydrophobicContact CD1-CG2 3.6Å; L124-Q217 WeakPolarHBondContact CD1-O 3.29Å; L124-N234 WeakPolarHBondContact CB-OD1 3.18Å
125	Y	97.3	Very high	97.4	Very high	46 Å²	46	37.2 Å²	37.2	18%	0.18	19%	0.185	C	C	.	.			trans	-157.5	165.2	175.8	64.3	-87.3	0	0	0	110.6	S123 N234 S236	S123-Y125 VanDerWaalsContact C-N 3.25Å; S123-Y125 PolarHBondContact O-N 3.18Å; S123-Y125 PolarHBondContact OG-N 2.99Å; S123-Y125 PolarHBondContact OG-O 3.48Å; Y125-N234 HydrophobicContact CE1-CB 4.18Å; Y125-N234 WeakPolarHBondContact CE1-ND2 3.36Å; Y125-S236 PolarHBondContact OH-OG 3.43Å
126	L	98	Very high	97.5	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-107.6	125.5	163	175.5	65.4	0	0	0	108.5	E132 V136 L161 S173 M176 L177 L235	L126-E132 HydrophobicContact CD1-CB 3.94Å; L126-E132 HydrophobicContact CD1-CG 4.2Å; L126-V136 HydrophobicContact CD2-CG2 3.75Å; L126-L161 HydrophobicContact CB-CD1 4.37Å; L126-S173 PolarHBondContact N-OG 3.41Å; L126-S173 WeakPolarHBondContact O-CB 3.34Å; L126-S173 PolarHBondContact O-OG 3.09Å; L126-M176 HydrophobicContact CD2-CG 4.07Å; L126-L177 HydrophobicContact CD2-CD1 4.22Å; L126-L177 HydrophobicContact CD2-CD2 3.69Å; L126-L177 HydrophobicContact CD2-CG 3.86Å; L126-L235 CarbonylContact C-O 3.57Å; L126-L235 HydrophobicContact CD1-CB 3.54Å; L126-L235 HydrophobicContact CD1-CD1 3.96Å; L126-L235 HydrophobicContact CD1-CG 4.39Å
127	G	96.9	Very high	97.7	Very high	8 Å²	8	34.1 Å²	34.1	8%	0.082	17%	0.171	C	C	.	.			trans	-65.6	-179	176.7	0	0	0	0	0	112.4	E132 L235	G127-E132 WeakPolarHBondContact CA-OE1 3.36Å; G127-E132 WeakPolarHBondContact O-CB 3.44Å; G127-L235 PolarHBondContact N-O 2.94Å
128	T	96.9	Very high	97.9	Very high	65 Å²	65	29.1 Å²	29.1	40%	0.399	15%	0.153	S	C	.	.			trans	-131.2	20	-173.8	66.5	0	0	0	0	112.6	I171 M176	T128-I171 HydrophobicContact CG2-CG2 3.97Å; T128-M176 VanDerWaalsContact CA-CE 3.44Å; T128-M176 HydrophobicContact CG2-CE 4.39Å
129	G	96.9	Very high	97.9	Very high	32 Å²	32	27.5 Å²	27.5	33%	0.33	15%	0.147	S	C	.	.	S	Bend	trans	-86.3	-172.6	175.3	0	0	0	0	0	111.9	E132 Q133	G129-E132 WeakPolarHBondContact CA-OE2 3.34Å; G129-E132 PolarHBondContact N-OE2 3.46Å; G129-Q133 PolarHBondContact O-N 3.12Å
130	Q	97.8	Very high	97.9	Very high	151 Å²	151	29.7 Å²	29.7	71%	0.706	16%	0.157	S	C	*	.	H	α-helix	trans	-67.7	-43.6	-175.8	-177.5	176.5	-5.8	0	0	112.3	E132 Q133 E134	Q130-E132 VanDerWaalsContact C-N 3.32Å; Q130-E132 PolarHBondContact O-N 3.42Å; Q130-Q133 WeakPolarHBondContact O-CB 3.5Å; Q130-Q133 PolarHBondContact O-N 3.01Å; Q130-E134 WeakPolarHBondContact O-CG 3.27Å; Q130-E134 PolarHBondContact O-N 3.03Å
131	L	98	Very high	97.7	Very high	32 Å²	32	34.6 Å²	34.6	17%	0.168	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-33.5	-179.1	-61	-179.9	0	0	0	111.9	Y105 L135 D237 F240 T241	Y105-L131 HydrophobicContact CE1-CD2 4.02Å; Y105-L131 HydrophobicContact CE2-CB 4.33Å; Y105-L131 PolarHBondContact OH-O 2.85Å; L131-L135 PolarHBondContact O-N 3.15Å; L131-L135 VanDerWaalsContact O-N 3.15Å; L131-D237 WeakPolarHBondContact CD1-OD1 3.22Å; L131-F240 HydrophobicContact CB-CD2 3.67Å; L131-F240 HydrophobicContact CB-CE2 4.3Å; L131-F240 HydrophobicContact CD1-CB 3.87Å; L131-F240 HydrophobicContact CD1-CD2 4.25Å; L131-T241 HydrophobicContact CD1-CG2 3.62Å
132	E	98.1	Very high	97.6	Very high	8 Å²	8	35 Å²	35	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-39.2	173.1	-58.9	94.6	145.9	0	0	111.9	L126 G127 G129 Q130 L135 V136 S236 D237 F240	L126-E132 HydrophobicContact CD1-CB 3.94Å; L126-E132 HydrophobicContact CD1-CG 4.2Å; G127-E132 WeakPolarHBondContact CA-OE1 3.36Å; G127-E132 WeakPolarHBondContact O-CB 3.44Å; G129-E132 WeakPolarHBondContact CA-OE2 3.34Å; G129-E132 PolarHBondContact N-OE2 3.46Å; Q130-E132 VanDerWaalsContact C-N 3.32Å; Q130-E132 PolarHBondContact O-N 3.42Å; E132-L135 WeakPolarHBondContact O-CB 3.29Å; E132-L135 PolarHBondContact O-N 2.79Å; E132-V136 WeakPolarHBondContact O-CG2 3.28Å; E132-V136 PolarHBondContact O-N 3.05Å; E132-V136 VanDerWaalsContact O-N 3.1Å; E132-S236 WeakPolarHBondContact OE1-CA 3.47Å; E132-S236 WeakPolarHBondContact OE1-CB 3.36Å; E132-D237 PolarHBondContact OE1-N 3.17Å; E132-F240 HydrophobicContact CG-CE2 4.01Å
133	Q	98.1	Very high	97.4	Very high	72 Å²	72	35 Å²	35	34%	0.336	18%	0.183	S	C	.	.	H	α-helix	trans	-61	-47	173.2	-177.7	66	66.9	0	0	110.8	G129 Q130 L135 V136 D137 M176	G129-Q133 PolarHBondContact O-N 3.12Å; Q130-Q133 WeakPolarHBondContact O-CB 3.5Å; Q130-Q133 PolarHBondContact O-N 3.01Å; Q133-L135 PolarHBondContact O-N 2.76Å; Q133-V136 CarbonylContact O-C 3.55Å; Q133-V136 WeakPolarHBondContact O-CA 3.47Å; Q133-V136 WeakPolarHBondContact O-CB 3.45Å; Q133-V136 PolarHBondContact O-N 3.01Å; Q133-D137 PolarHBondContact NE2-OD1 2.78Å; Q133-D137 PolarHBondContact O-N 3.1Å; Q133-M176 HydrophobicContact CB-CE 4.4Å; Q133-M176 PolarHBondContact OE1-SD 3.06Å
134	E	98.1	Very high	97.1	Very high	57 Å²	57	37.9 Å²	37.9	27%	0.266	20%	0.196	S	C	.	.	H	α-helix	trans	-57.3	-36	176.2	-77.6	179.4	-154.2	0	0	112.9	Y105 K109 Q130 D137 C138	Y105-E134 VanDerWaalsContact OH-CB 3.24Å; Y105-E134 WeakPolarHBondContact OH-CB 3.17Å; Y105-E134 PolarHBondContact OH-OE2 3.01Å; K109-E134 IonicContact NZ-OE2 3.14Å; K109-E134 PolarHBondContact NZ-OE2 3.23Å; Q130-E134 WeakPolarHBondContact O-CG 3.27Å; Q130-E134 PolarHBondContact O-N 3.03Å; E134-D137 PolarHBondContact O-N 3.47Å; E134-C138 PolarHBondContact O-N 2.98Å; E134-C138 PolarHBondContact O-SG 3Å
135	L	98.1	Very high	96.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-38.7	175.4	-166.2	71.5	0	0	0	111.5	Y105 M108 K109 I112 L131 E132 Q133 C138 M139 L235 F240	Y105-L135 HydrophobicContact CE2-CB 4.5Å; Y105-L135 HydrophobicContact CE2-CD1 4.41Å; M108-L135 HydrophobicContact CB-CD1 4.17Å; K109-L135 HydrophobicContact CG-CD1 4.01Å; I112-L135 HydrophobicContact CD1-CD1 3.39Å; I112-L135 HydrophobicContact CD1-CG 3.89Å; L131-L135 PolarHBondContact O-N 3.15Å; L131-L135 VanDerWaalsContact O-N 3.15Å; E132-L135 WeakPolarHBondContact O-CB 3.29Å; E132-L135 PolarHBondContact O-N 2.79Å; Q133-L135 PolarHBondContact O-N 2.76Å; L135-C138 WeakPolarHBondContact O-CB 3.32Å; L135-C138 PolarHBondContact O-N 3.29Å; L135-M139 PolarHBondContact O-N 3.1Å; L135-L235 HydrophobicContact CD2-CD1 4.36Å; L135-L235 HydrophobicContact CD2-CD2 3.89Å; L135-F240 HydrophobicContact CD2-CZ 4.37Å
136	V	98.3	Very high	96.6	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-41.3	173.6	174.6	0	0	0	0	111.2	L126 E132 Q133 C138 M139 E140 M176 L177 L180	L126-V136 HydrophobicContact CD2-CG2 3.75Å; E132-V136 WeakPolarHBondContact O-CG2 3.28Å; E132-V136 PolarHBondContact O-N 3.05Å; E132-V136 VanDerWaalsContact O-N 3.1Å; Q133-V136 CarbonylContact O-C 3.55Å; Q133-V136 WeakPolarHBondContact O-CA 3.47Å; Q133-V136 WeakPolarHBondContact O-CB 3.45Å; Q133-V136 PolarHBondContact O-N 3.01Å; V136-C138 VanDerWaalsContact C-N 3.3Å; V136-C138 PolarHBondContact O-N 3.42Å; V136-M139 HydrophobicContact CB-CE 4.26Å; V136-M139 HydrophobicContact CG2-CE 3.86Å; V136-M139 WeakPolarHBondContact O-CB 3.45Å; V136-M139 PolarHBondContact O-N 3.23Å; V136-M139 VanDerWaalsContact O-N 3.08Å; V136-E140 PolarHBondContact O-N 3.12Å; V136-M176 HydrophobicContact CG2-CG 4.04Å; V136-L177 HydrophobicContact CG2-CD2 4.13Å; V136-L180 HydrophobicContact CG1-CD2 4.45Å
137	D	98.2	Very high	96	Very high	58 Å²	58	46 Å²	46	31%	0.31	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-39.1	176.3	-59.9	-17.3	0	0	0	110.5	Q133 E134 M139 E140 E141	Q133-D137 PolarHBondContact NE2-OD1 2.78Å; Q133-D137 PolarHBondContact O-N 3.1Å; E134-D137 PolarHBondContact O-N 3.47Å; D137-M139 VanDerWaalsContact C-N 3.32Å; D137-M139 PolarHBondContact O-N 3.41Å; D137-E140 WeakPolarHBondContact O-CB 3.37Å; D137-E140 PolarHBondContact O-N 3.24Å; D137-E140 VanDerWaalsContact O-N 3.15Å; D137-E141 WeakPolarHBondContact O-CG 3.19Å; D137-E141 PolarHBondContact O-N 2.71Å
138	C	98	Very high	95.5	Very high	3 Å²	3	52 Å²	52	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-40	172.8	-67.1	0	0	0	0	112.3	K109 I112 R113 E134 L135 V136 E140 A142	K109-C138 VanDerWaalsContact CE-SG 3.59Å; I112-C138 HydrophobicContact CB-CB 4.45Å; I112-C138 HydrophobicContact CD1-CB 4.39Å; I112-C138 HydrophobicContact CG2-CB 3.95Å; I112-C138 WeakPolarHBondContact CG2-O 3.45Å; R113-C138 PolarHBondContact NH2-SG 3.28Å; R113-C138 VanDerWaalsContact NH2-SG 3.42Å; E134-C138 PolarHBondContact O-N 2.98Å; E134-C138 PolarHBondContact O-SG 3Å; L135-C138 WeakPolarHBondContact O-CB 3.32Å; L135-C138 PolarHBondContact O-N 3.29Å; V136-C138 VanDerWaalsContact C-N 3.3Å; V136-C138 PolarHBondContact O-N 3.42Å; C138-E140 VanDerWaalsContact C-N 3.33Å; C138-A142 WeakPolarHBondContact O-CB 3.37Å; C138-A142 PolarHBondContact O-N 2.81Å
139	M	97.9	Very high	94.7	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-37.3	175.9	-67.3	-174	-73.6	0	0	111.3	I112 M121 L135 V136 D137 L143 V157 L177 L180	I112-M139 HydrophobicContact CD1-CG 4Å; I112-M139 HydrophobicContact CG1-CG 4.39Å; I112-M139 HydrophobicContact CG2-CB 4.38Å; I112-M139 HydrophobicContact CG2-CG 3.88Å; M121-M139 HydrophobicContact CE-SD 4.38Å; M121-M139 HydrophobicContact CG-SD 4.44Å; L135-M139 PolarHBondContact O-N 3.1Å; V136-M139 HydrophobicContact CB-CE 4.26Å; V136-M139 HydrophobicContact CG2-CE 3.86Å; V136-M139 WeakPolarHBondContact O-CB 3.45Å; V136-M139 PolarHBondContact O-N 3.23Å; V136-M139 VanDerWaalsContact O-N 3.08Å; D137-M139 VanDerWaalsContact C-N 3.32Å; D137-M139 PolarHBondContact O-N 3.41Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 WeakPolarHBondContact O-CG 3.4Å; M139-L143 PolarHBondContact O-N 3.26Å; M139-V157 HydrophobicContact SD-CG1 4.02Å; M139-L177 HydrophobicContact CE-CD2 4.16Å; M139-L180 HydrophobicContact CB-CD2 3.87Å
140	E	97.2	Very high	93.2	Very high	46 Å²	46	61.5 Å²	61.5	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-49.3	174.6	-173	158.4	-104.1	0	0	112.3	V136 D137 C138 A142 L143 Q144 L180 R183 F184	V136-E140 PolarHBondContact O-N 3.12Å; D137-E140 WeakPolarHBondContact O-CB 3.37Å; D137-E140 PolarHBondContact O-N 3.24Å; D137-E140 VanDerWaalsContact O-N 3.15Å; C138-E140 VanDerWaalsContact C-N 3.33Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-A142 PolarHBondContact O-N 3.29Å; E140-L143 PolarHBondContact O-N 2.98Å; E140-Q144 VanDerWaalsContact O-CB 3.27Å; E140-Q144 WeakPolarHBondContact O-CB 3.34Å; E140-Q144 PolarHBondContact O-N 2.93Å; E140-L180 HydrophobicContact CB-CD1 3.61Å; E140-L180 HydrophobicContact CG-CD1 3.88Å; E140-R183 VanDerWaalsContact CD-CZ 3.46Å; E140-R183 WeakPolarHBondContact OE1-CD 3.48Å; E140-R183 IonicContact OE1-CZ 3.79Å; E140-R183 IonicContact OE1-NE 2.74Å; E140-R183 PolarHBondContact OE1-NE 3.45Å; E140-R183 IonicContact OE1-NH1 3.88Å; E140-R183 PolarHBondContact OE1-NH1 2.93Å; E140-R183 IonicContact OE1-NH2 2.87Å; E140-R183 IonicContact OE2-CZ 3.78Å; E140-R183 IonicContact OE2-NH1 3.7Å; E140-R183 PolarHBondContact OE2-NH1 3.31Å; E140-F184 HydrophobicContact CG-CE2 4.12Å
141	E	95.8	Very high	91.4	Very high	108 Å²	108	65.1 Å²	65.1	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-46.6	176.4	-72.7	171.3	-179.6	0	0	111.2	R113 D137 Q144 H145	R113-E141 IonicContact NE-OE2 2.79Å; D137-E141 WeakPolarHBondContact O-CG 3.19Å; D137-E141 PolarHBondContact O-N 2.71Å; E141-Q144 PolarHBondContact O-N 3.35Å; E141-H145 WeakPolarHBondContact O-CB 3.45Å; E141-H145 PolarHBondContact O-N 3.26Å
142	A	95.3	Very high	89.5	Confident	10 Å²	10	64.7 Å²	64.7	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-45.7	179.4	0	0	0	0	0	112.2	I112 C138 E140 H145 A146 L155	I112-A142 HydrophobicContact CG2-CB 4.14Å; I112-A142 WeakPolarHBondContact O-CB 3.48Å; C138-A142 WeakPolarHBondContact O-CB 3.37Å; C138-A142 PolarHBondContact O-N 2.81Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-A142 PolarHBondContact O-N 3.29Å; A142-H145 PolarHBondContact O-N 3.21Å; A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 3.36Å; A142-L155 HydrophobicContact CB-CD2 3.88Å
143	L	94.8	Very high	87.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-41.2	176.9	-80.9	168.4	0	0	0	112.3	M139 E140 A146 K147 L155 V157 L180 F184 Q187	M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 WeakPolarHBondContact O-CG 3.4Å; M139-L143 PolarHBondContact O-N 3.26Å; E140-L143 PolarHBondContact O-N 2.98Å; L143-A146 PolarHBondContact O-N 3.07Å; L143-K147 WeakPolarHBondContact O-CB 3.39Å; L143-K147 PolarHBondContact O-N 2.76Å; L143-L155 HydrophobicContact CD2-CD2 4.43Å; L143-L155 HydrophobicContact CD2-CG 4.43Å; L143-V157 HydrophobicContact CD1-CB 4.39Å; L143-V157 HydrophobicContact CD1-CG2 3.71Å; L143-V157 HydrophobicContact CD2-CG2 3.84Å; L143-V157 HydrophobicContact CG-CG2 3.77Å; L143-L180 HydrophobicContact CD1-CD1 3.94Å; L143-L180 HydrophobicContact CD1-CD2 4.16Å; L143-L180 HydrophobicContact CD1-CG 4.09Å; L143-F184 HydrophobicContact CB-CD1 3.83Å; L143-F184 HydrophobicContact CB-CD2 4.24Å; L143-F184 HydrophobicContact CB-CE1 3.73Å; L143-F184 HydrophobicContact CB-CE2 4.17Å; L143-F184 HydrophobicContact CB-CG 4.08Å; L143-F184 HydrophobicContact CB-CZ 3.91Å; L143-F184 HydrophobicContact CD1-CB 4.05Å; L143-F184 HydrophobicContact CD1-CD1 4.45Å; L143-F184 HydrophobicContact CD1-CD2 3.93Å; L143-F184 HydrophobicContact CD1-CG 3.9Å; L143-F184 HydrophobicContact CG-CG 4.44Å; L143-Q187 HydrophobicContact CD2-CB 3.81Å
144	Q	93.4	Very high	87	Confident	61 Å²	61	69.9 Å²	69.9	29%	0.285	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-47.5	177.3	-173.8	63.7	38	0	0	110.8	E140 E141 A146 K147 E148 F184	E140-Q144 VanDerWaalsContact O-CB 3.27Å; E140-Q144 WeakPolarHBondContact O-CB 3.34Å; E140-Q144 PolarHBondContact O-N 2.93Å; E141-Q144 PolarHBondContact O-N 3.35Å; Q144-A146 PolarHBondContact O-N 2.84Å; Q144-K147 WeakPolarHBondContact O-CB 3.38Å; Q144-K147 PolarHBondContact O-N 3.49Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.46Å; Q144-E148 PolarHBondContact NE2-OE1 3.35Å; Q144-E148 WeakPolarHBondContact O-CG 3.4Å; Q144-E148 PolarHBondContact O-N 3.44Å; Q144-F184 HydrophobicContact CB-CZ 4.26Å
145	H	91.3	Very high	86.8	Confident	111 Å²	111	67.2 Å²	67.2	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-43.2	176.9	176.9	-98.8	0	0	0	112	E141 A142 K147 E148 N149	E141-H145 WeakPolarHBondContact O-CB 3.45Å; E141-H145 PolarHBondContact O-N 3.26Å; A142-H145 PolarHBondContact O-N 3.21Å; H145-K147 VanDerWaalsContact C-N 3.31Å; H145-K147 PolarHBondContact O-N 3.48Å; H145-E148 PolarHBondContact O-N 3.03Å; H145-N149 WeakPolarHBondContact O-CB 3.45Å; H145-N149 PolarHBondContact O-N 3Å
146	A	90.3	Very high	86.8	Confident	3 Å²	3	73 Å²	73	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-40.4	175.4	0	0	0	0	0	112.4	A142 L143 Q144 N149 S152 L155	A142-A146 WeakPolarHBondContact O-CB 3.34Å; A142-A146 PolarHBondContact O-N 3.36Å; L143-A146 PolarHBondContact O-N 3.07Å; Q144-A146 PolarHBondContact O-N 2.84Å; A146-N149 PolarHBondContact O-N 3.24Å; A146-N149 VanDerWaalsContact O-O 3.11Å; A146-S152 WeakPolarHBondContact CB-O 3.48Å; A146-L155 HydrophobicContact CB-CB 3.55Å; A146-L155 HydrophobicContact CB-CD2 4.14Å; A146-L155 HydrophobicContact CB-CG 4.49Å
147	K	86.7	Confident	86.8	Confident	129 Å²	129	72.7 Å²	72.7	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-67.9	-36.5	178.1	-171	176.3	-176.9	176.5	0	112.9	L143 Q144 H145 F184	L143-K147 WeakPolarHBondContact O-CB 3.39Å; L143-K147 PolarHBondContact O-N 2.76Å; Q144-K147 WeakPolarHBondContact O-CB 3.38Å; Q144-K147 PolarHBondContact O-N 3.49Å; H145-K147 VanDerWaalsContact C-N 3.31Å; H145-K147 PolarHBondContact O-N 3.48Å; K147-F184 HydrophobicContact CD-CE1 4.29Å
148	E	86.9	Confident	86.8	Confident	134 Å²	134	71.9 Å²	71.9	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-76.6	-32.8	177.8	-70.8	172	-173.3	0	0	112.2	Q144 H145 R150	Q144-E148 WeakPolarHBondContact CG-OE1 3.46Å; Q144-E148 PolarHBondContact NE2-OE1 3.35Å; Q144-E148 WeakPolarHBondContact O-CG 3.4Å; Q144-E148 PolarHBondContact O-N 3.44Å; H145-E148 PolarHBondContact O-N 3.03Å; E148-R150 PolarHBondContact O-N 3.25Å
149	N	80	Confident	86.8	Confident	53 Å²	53	72 Å²	72	28%	0.283	33%	0.333	S	S	.	.			trans	-89.3	106.1	-176.3	-165	-13.3	0	0	0	111.7	H145 A146 R151 S152	H145-N149 WeakPolarHBondContact O-CB 3.45Å; H145-N149 PolarHBondContact O-N 3Å; A146-N149 PolarHBondContact O-N 3.24Å; A146-N149 VanDerWaalsContact O-O 3.11Å; N149-R151 PolarHBondContact O-N 2.85Å; N149-R151 PolarHBondContact OD1-N 3.19Å; N149-S152 PolarHBondContact O-N 2.96Å
150	R	65.6	Low	86.8	Confident	242 Å²	242	71.8 Å²	71.8	91%	0.913	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.7	177.9	-65.6	-169.8	-177.3	-163.2	1.5	115	E148	E148-R150 PolarHBondContact O-N 3.25Å
151	R	59.5	Low	86.9	Confident	228 Å²	228	69.6 Å²	69.6	86%	0.86	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.1	177.1	-66.8	-176.5	175.4	179.5	-0.8	114.1	N149 P153	N149-R151 PolarHBondContact O-N 2.85Å; N149-R151 PolarHBondContact OD1-N 3.19Å; R151-P153 VanDerWaalsContact C-CD 3.47Å
152	S	58.3	Low	87	Confident	23 Å²	23	64.5 Å²	64.5	16%	0.161	30%	0.299	C	S	.	.	S	Bend	trans	-135.4	50	179.5	-55.2	0	0	0	0	112.1	A146 N149 D154	A146-S152 WeakPolarHBondContact CB-O 3.48Å; N149-S152 PolarHBondContact O-N 2.96Å; S152-D154 PolarHBondContact O-N 3Å
153	P	63.9	Low	87	Confident	72 Å²	72	65.9 Å²	65.9	47%	0.468	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.6	-172	29.9	-36.2	0	0	0	114.6	R151	R151-P153 VanDerWaalsContact C-CD 3.47Å
154	D	79.5	Confident	86.9	Confident	117 Å²	117	67 Å²	67	63%	0.626	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	19.7	-164.5	-82.7	-19	0	0	0	114.6	S152 K156	S152-D154 PolarHBondContact O-N 3Å; D154-K156 PolarHBondContact O-N 3.41Å; D154-K156 VanDerWaalsContact O-N 3.12Å
155	L	94.5	Very high	86.9	Confident	0 Å²	0	66 Å²	66	0%	0	30%	0.303	C	S	.	.			trans	-57.7	121.8	172.1	-179.8	64.5	0	0	0	109.8	A115 R117 V119 A142 L143 A146 Q187	A115-L155 HydrophobicContact CB-CD1 4.07Å; R117-L155 WeakPolarHBondContact O-CA 3.17Å; V119-L155 HydrophobicContact CG2-CD1 4.27Å; A142-L155 HydrophobicContact CB-CD2 3.88Å; L143-L155 HydrophobicContact CD2-CD2 4.43Å; L143-L155 HydrophobicContact CD2-CG 4.43Å; A146-L155 HydrophobicContact CB-CB 3.55Å; A146-L155 HydrophobicContact CB-CD2 4.14Å; A146-L155 HydrophobicContact CB-CG 4.49Å; L155-Q187 PolarHBondContact O-NE2 2.95Å
156	K	96.6	Very high	87	Confident	122 Å²	122	60.8 Å²	60.8	53%	0.53	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.5	175.4	-65	-176.6	-174.1	179.4	0	111.6	R117 R118 V119 D154 Q187	R117-K156 PolarHBondContact O-N 3.13Å; R118-K156 CarbonylContact C-O 3.58Å; R118-K156 VanDerWaalsContact CA-O 3.3Å; R118-K156 WeakPolarHBondContact CA-O 3.32Å; V119-K156 PolarHBondContact N-O 3.39Å; D154-K156 PolarHBondContact O-N 3.41Å; D154-K156 VanDerWaalsContact O-N 3.12Å; K156-Q187 CarbonylContact C-O 3.31Å; K156-Q187 VanDerWaalsContact CA-O 3.27Å; K156-Q187 WeakPolarHBondContact CA-O 3.46Å
157	V	98.1	Very high	87.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.3	175.7	178.4	0	0	0	0	109.1	V119 M139 L143 V159 Q187 M188 R189	V119-V157 HydrophobicContact CB-CG2 4.17Å; V119-V157 CarbonylContact O-C 3.51Å; V119-V157 WeakPolarHBondContact O-CA 3.48Å; M139-V157 HydrophobicContact SD-CG1 4.02Å; L143-V157 HydrophobicContact CD1-CB 4.39Å; L143-V157 HydrophobicContact CD1-CG2 3.71Å; L143-V157 HydrophobicContact CD2-CG2 3.84Å; L143-V157 HydrophobicContact CG-CG2 3.77Å; V157-V159 HydrophobicContact CG1-CG2 4.04Å; V157-Q187 PolarHBondContact N-O 2.8Å; V157-M188 HydrophobicContact CB-CG 4.35Å; V157-M188 HydrophobicContact CG1-CG 4.43Å; V157-M188 CarbonylContact O-C 3.58Å; V157-M188 VanDerWaalsContact O-CA 3.27Å; V157-M188 WeakPolarHBondContact O-CA 3.42Å; V157-R189 PolarHBondContact O-N 3.26Å
158	S	98.4	Very high	87.3	Confident	41 Å²	41	60.2 Å²	60.2	29%	0.287	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.7	175.1	-66.1	0	0	0	0	110.4	V119 V120 M121 R189	V119-S158 PolarHBondContact O-N 3.44Å; V120-S158 CarbonylContact C-O 3.59Å; V120-S158 WeakPolarHBondContact CA-O 3.46Å; M121-S158 PolarHBondContact N-O 3.32Å; S158-R189 CarbonylContact C-O 3.56Å; S158-R189 WeakPolarHBondContact CA-O 3.49Å
159	V	98.8	Very high	87.3	Confident	5 Å²	5	56 Å²	56	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.7	179.2	-172.8	0	0	0	0	109.4	M121 V157 L161 L177 M188 R189 V190 S191	M121-V159 HydrophobicContact CB-CG1 4.29Å; M121-V159 HydrophobicContact CB-CG2 4.33Å; M121-V159 CarbonylContact O-C 3.57Å; M121-V159 WeakPolarHBondContact O-CA 3.4Å; V157-V159 HydrophobicContact CG1-CG2 4.04Å; V159-L161 HydrophobicContact CG1-CD1 4.22Å; V159-L161 HydrophobicContact CG1-CD2 4.01Å; V159-L161 HydrophobicContact CG1-CG 3.89Å; V159-L177 HydrophobicContact CB-CD1 4.4Å; V159-L177 HydrophobicContact CG1-CD1 3.85Å; V159-M188 HydrophobicContact CG2-CE 4.25Å; V159-R189 PolarHBondContact N-O 3.44Å; V159-V190 HydrophobicContact CB-CG2 4.31Å; V159-V190 CarbonylContact O-C 3.2Å; V159-V190 WeakPolarHBondContact O-CA 3.41Å; V159-S191 PolarHBondContact O-N 3.48Å
160	L	98.8	Very high	87.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.1	176	174.2	66.6	0	0	0	109.9	M121 A122 S123 S191 Q217 V264 V267	M121-L160 PolarHBondContact O-N 2.88Å; A122-L160 WeakPolarHBondContact CA-O 3.47Å; A122-L160 HydrophobicContact CB-CB 4.35Å; A122-L160 HydrophobicContact CB-CD2 4.42Å; S123-L160 PolarHBondContact N-O 3.19Å; S123-L160 VanDerWaalsContact N-O 3.12Å; L160-S191 WeakPolarHBondContact CA-O 3.26Å; L160-Q217 HydrophobicContact CD2-CG 4.3Å; L160-Q217 HydrophobicContact CG-CG 4.26Å; L160-V264 HydrophobicContact CB-CG1 3.78Å; L160-V264 HydrophobicContact CD2-CG1 3.95Å; L160-V267 HydrophobicContact CD1-CG1 4.03Å; L160-V267 HydrophobicContact CD2-CB 3.76Å; L160-V267 HydrophobicContact CD2-CG1 3.63Å; L160-V267 HydrophobicContact CG-CG1 4.45Å
161	L	98.6	Very high	89.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	167.2	178.1	-51.8	176.2	0	0	0	111.9	S123 L126 V159 L177 S191 L192 Y193	S123-L161 WeakPolarHBondContact O-CA 3.33Å; S123-L161 WeakPolarHBondContact O-CD2 3.25Å; L126-L161 HydrophobicContact CB-CD1 4.37Å; V159-L161 HydrophobicContact CG1-CD1 4.22Å; V159-L161 HydrophobicContact CG1-CD2 4.01Å; V159-L161 HydrophobicContact CG1-CG 3.89Å; L161-L177 HydrophobicContact CD1-CD1 3.99Å; L161-S191 PolarHBondContact N-O 3.12Å; L161-L192 HydrophobicContact CB-CD2 4.06Å; L161-L192 CarbonylContact O-C 3.55Å; L161-L192 VanDerWaalsContact O-CA 3.3Å; L161-L192 WeakPolarHBondContact O-CA 3.35Å; L161-Y193 PolarHBondContact O-N 3.43Å
162	D	97.7	Very high	90.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.9	165.9	-178.6	-87.4	0	0	0	110.8	L124 T164 R165 G166 V216 Q217	L124-D162 HydrophobicContact CD1-CB 3.98Å; L124-D162 WeakPolarHBondContact O-CB 3.44Å; L124-D162 PolarHBondContact O-N 3.42Å; D162-T164 PolarHBondContact O-N 3.44Å; D162-T164 WeakPolarHBondContact OD1-CA 3.38Å; D162-T164 WeakPolarHBondContact OD1-CB 3.39Å; D162-T164 PolarHBondContact OD1-N 2.67Å; D162-T164 PolarHBondContact OD1-OG1 3.33Å; D162-R165 HydrophobicContact CB-CB 4.04Å; D162-R165 HydrophobicContact CB-CG 4.05Å; D162-R165 PolarHBondContact OD1-N 2.88Å; D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.01Å; D162-V216 WeakPolarHBondContact OD2-CA 3.36Å; D162-V216 WeakPolarHBondContact OD2-CB 3.42Å; D162-Q217 HydrophobicContact CB-CB 4.14Å; D162-Q217 PolarHBondContact OD2-N 3.44Å
163	Y	96	Very high	92.7	Very high	38 Å²	38	45.6 Å²	45.6	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-43.5	-177.8	174.4	-97.8	0	0	0	112.6	S167 L192 Y193 H194 L272 V280	Y163-S167 WeakPolarHBondContact O-CB 3.05Å; Y163-S167 PolarHBondContact O-N 3.08Å; Y163-S167 VanDerWaalsContact O-N 3.11Å; Y163-S167 PolarHBondContact O-OG 3.08Å; Y163-L192 HydrophobicContact CD2-CB 3.93Å; Y163-L192 HydrophobicContact CD2-CD1 3.96Å; Y163-L192 HydrophobicContact CG-CB 4.47Å; Y163-Y193 WeakPolarHBondContact CB-O 3.49Å; Y163-Y193 PolarHBondContact N-O 3.1Å; Y163-H194 AromaticContact CD1-CD2 3.45Å; Y163-H194 VanDerWaalsContact CD1-CD2 3.45Å; Y163-H194 WeakPolarHBondContact CD1-CD2 3.03Å; Y163-L272 HydrophobicContact CD1-CD1 4.49Å; Y163-L272 HydrophobicContact CD2-CD1 3.61Å; Y163-L272 HydrophobicContact CE2-CD1 3.9Å; Y163-L272 HydrophobicContact CG-CD1 3.93Å; Y163-V280 HydrophobicContact CE2-CG1 4.11Å; Y163-V280 HydrophobicContact CE2-CG2 3.95Å
164	T	92.5	Very high	94.3	Very high	24 Å²	24	43.5 Å²	43.5	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-73.1	-40.6	-175.3	67.2	0	0	0	0	111.1	D162 L198 N211	D162-T164 PolarHBondContact O-N 3.44Å; D162-T164 WeakPolarHBondContact OD1-CA 3.38Å; D162-T164 WeakPolarHBondContact OD1-CB 3.39Å; D162-T164 PolarHBondContact OD1-N 2.67Å; D162-T164 PolarHBondContact OD1-OG1 3.33Å; T164-L198 HydrophobicContact CG2-CD2 3.9Å; T164-N211 HydrophobicContact CG2-CB 4.29Å
165	R	92.4	Very high	95.1	Very high	41 Å²	41	40 Å²	40	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-45.7	176.6	-62.8	-67.6	-57.3	130.6	9.8	111.9	L124 D162 S167 R168 E212	L124-R165 HydrophobicContact CD1-CG 3.76Å; L124-R165 HydrophobicContact CD2-CG 4.45Å; L124-R165 HydrophobicContact CG-CB 4.42Å; L124-R165 HydrophobicContact CG-CG 3.93Å; D162-R165 HydrophobicContact CB-CB 4.04Å; D162-R165 HydrophobicContact CB-CG 4.05Å; D162-R165 PolarHBondContact OD1-N 2.88Å; R165-S167 PolarHBondContact O-N 3.42Å; R165-R168 WeakPolarHBondContact O-CB 3.32Å; R165-R168 PolarHBondContact O-N 3.5Å; R165-E212 VanDerWaalsContact CD-CG 3.44Å; R165-E212 WeakPolarHBondContact CD-OE1 3.45Å; R165-E212 WeakPolarHBondContact CD-OE2 3.39Å; R165-E212 HydrophobicContact CG-CG 4.36Å; R165-E212 IonicContact CZ-OE1 3.49Å; R165-E212 IonicContact CZ-OE2 2.77Å; R165-E212 IonicContact NE-OE1 3.75Å; R165-E212 IonicContact NE-OE2 3.67Å; R165-E212 IonicContact NH1-OE1 2.89Å; R165-E212 PolarHBondContact NH1-OE1 3.14Å; R165-E212 IonicContact NH1-OE2 3.89Å
166	G	94.3	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.2	-16.6	-179.1	0	0	0	0	0	114.4	D162 N172 S173 R174	D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.01Å; G166-N172 WeakPolarHBondContact O-CB 3.47Å; G166-N172 VanDerWaalsContact O-CG 3.32Å; G166-N172 PolarHBondContact O-OD1 3.06Å; G166-N172 VanDerWaalsContact O-OD1 3.12Å; G166-S173 PolarHBondContact O-N 3.24Å; G166-R174 PolarHBondContact O-N 3.28Å
167	S	93.3	Very high	95.3	Very high	27 Å²	27	35.2 Å²	35.2	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	11.5	178.3	-49.6	0	0	0	0	114	Y163 R165 R174	Y163-S167 WeakPolarHBondContact O-CB 3.05Å; Y163-S167 PolarHBondContact O-N 3.08Å; Y163-S167 VanDerWaalsContact O-N 3.11Å; Y163-S167 PolarHBondContact O-OG 3.08Å; R165-S167 PolarHBondContact O-N 3.42Å; S167-R174 WeakPolarHBondContact OG-CD 3.47Å; S167-R174 PolarHBondContact OG-NH1 3.33Å
168	R	88.8	Confident	95.3	Very high	94 Å²	94	36.4 Å²	36.4	36%	0.355	19%	0.191	S	C	.	.			trans	-83.1	120.9	-170.3	-176.5	173.9	169.1	176.7	-10.9	112.1	R165 N172 E212	R165-R168 WeakPolarHBondContact O-CB 3.32Å; R165-R168 PolarHBondContact O-N 3.5Å; R168-N172 WeakPolarHBondContact O-CB 3.42Å; R168-E212 IonicContact CZ-OE1 3.61Å; R168-E212 IonicContact NH1-OE1 3.95Å; R168-E212 PolarHBondContact NH1-OE1 3.06Å
169	G	88.7	Confident	95.3	Very high	46 Å²	46	37.7 Å²	37.7	47%	0.474	20%	0.199	S	C	.	.	S	Bend	trans	82.4	176.7	-178.8	0	0	0	0	0	112.4	N172	G169-N172 PolarHBondContact O-ND2 3.29Å
170	Q	89.1	Confident	95.2	Very high	181 Å²	181	37.5 Å²	37.5	85%	0.846	20%	0.198	S	C	*	.	S	Bend	trans	-71.8	-46.4	-178.3	-65.8	-61.7	-26.4	0	0	111.8
171	I	93.6	Very high	95.1	Very high	125 Å²	125	37.7 Å²	37.7	64%	0.641	20%	0.199	S	C	*	.	S	Bend	trans	-98	119.7	172.1	-55.1	174.9	0	0	0	107	T128	T128-I171 HydrophobicContact CG2-CG2 3.97Å
172	N	96.1	Very high	95	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.091	22%	0.221	C	C	.	.			trans	-151.9	-178.3	-173	60.5	52.2	0	0	0	111.2	G166 R168 G169 R174 T175 M176	G166-N172 WeakPolarHBondContact O-CB 3.47Å; G166-N172 VanDerWaalsContact O-CG 3.32Å; G166-N172 PolarHBondContact O-OD1 3.06Å; G166-N172 VanDerWaalsContact O-OD1 3.12Å; R168-N172 WeakPolarHBondContact O-CB 3.42Å; G169-N172 PolarHBondContact O-ND2 3.29Å; N172-R174 VanDerWaalsContact C-N 3.26Å; N172-R174 PolarHBondContact O-N 2.96Å; N172-R174 WeakPolarHBondContact OD1-CA 3.47Å; N172-R174 VanDerWaalsContact OD1-CB 3.3Å; N172-R174 WeakPolarHBondContact OD1-CB 3.26Å; N172-R174 PolarHBondContact OD1-N 3.08Å; N172-T175 PolarHBondContact N-OG1 3.28Å; N172-T175 PolarHBondContact O-N 3.1Å; N172-T175 PolarHBondContact O-OG1 3.25Å; N172-T175 PolarHBondContact OD1-N 2.76Å; N172-T175 VanDerWaalsContact OD1-N 3.08Å; N172-M176 WeakPolarHBondContact O-CB 3.17Å; N172-M176 PolarHBondContact O-N 3.28Å
173	S	97.4	Very high	94.9	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-37.4	-178.6	-46.4	0	0	0	0	113	L126 G166 M176 L177	L126-S173 PolarHBondContact N-OG 3.41Å; L126-S173 WeakPolarHBondContact O-CB 3.34Å; L126-S173 PolarHBondContact O-OG 3.09Å; G166-S173 PolarHBondContact O-N 3.24Å; S173-M176 PolarHBondContact O-N 2.81Å; S173-L177 WeakPolarHBondContact O-CG 3.24Å; S173-L177 PolarHBondContact O-N 3Å; S173-L177 VanDerWaalsContact O-N 3.11Å
174	R	97.3	Very high	94.8	Very high	27 Å²	27	46.8 Å²	46.8	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-47.8	179.1	-65.2	163.6	53.6	178.6	-2.2	111.2	G166 S167 N172 M176 L177 L178 L192 L274 N278	G166-R174 PolarHBondContact O-N 3.28Å; S167-R174 WeakPolarHBondContact OG-CD 3.47Å; S167-R174 PolarHBondContact OG-NH1 3.33Å; N172-R174 VanDerWaalsContact C-N 3.26Å; N172-R174 PolarHBondContact O-N 2.96Å; N172-R174 WeakPolarHBondContact OD1-CA 3.47Å; N172-R174 VanDerWaalsContact OD1-CB 3.3Å; N172-R174 WeakPolarHBondContact OD1-CB 3.26Å; N172-R174 PolarHBondContact OD1-N 3.08Å; R174-M176 PolarHBondContact O-N 3.1Å; R174-L177 PolarHBondContact O-N 3.21Å; R174-L178 WeakPolarHBondContact O-CB 3.41Å; R174-L178 PolarHBondContact O-N 3.19Å; R174-L192 HydrophobicContact CG-CD1 3.86Å; R174-L192 HydrophobicContact CG-CD2 4.19Å; R174-L274 HydrophobicContact CB-CD1 4.27Å; R174-L274 HydrophobicContact CB-CD2 3.99Å; R174-L274 HydrophobicContact CG-CD1 4.28Å; R174-L274 HydrophobicContact CG-CD2 4.21Å; R174-N278 PolarHBondContact NE-OD1 2.9Å; R174-N278 PolarHBondContact NH2-O 3.07Å; R174-N278 PolarHBondContact NH2-OD1 2.66Å
175	T	96.8	Very high	94.8	Very high	44 Å²	44	49.3 Å²	49.3	27%	0.27	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-30.2	179.6	57.5	0	0	0	0	111.9	N172 P179	N172-T175 PolarHBondContact N-OG1 3.28Å; N172-T175 PolarHBondContact O-N 3.1Å; N172-T175 PolarHBondContact O-OG1 3.25Å; N172-T175 PolarHBondContact OD1-N 2.76Å; N172-T175 VanDerWaalsContact OD1-N 3.08Å; T175-P179 WeakPolarHBondContact O-CD 3.47Å
176	M	97.6	Very high	94.7	Very high	20 Å²	20	52.7 Å²	52.7	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-40.3	174.3	-176.2	58.9	83.2	0	0	112.2	L126 T128 Q133 V136 N172 S173 R174	L126-M176 HydrophobicContact CD2-CG 4.07Å; T128-M176 VanDerWaalsContact CA-CE 3.44Å; T128-M176 HydrophobicContact CG2-CE 4.39Å; Q133-M176 HydrophobicContact CB-CE 4.4Å; Q133-M176 PolarHBondContact OE1-SD 3.06Å; V136-M176 HydrophobicContact CG2-CG 4.04Å; N172-M176 WeakPolarHBondContact O-CB 3.17Å; N172-M176 PolarHBondContact O-N 3.28Å; S173-M176 PolarHBondContact O-N 2.81Å; R174-M176 PolarHBondContact O-N 3.1Å
177	L	98	Very high	94.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-86.7	-15.5	-179.4	-66.2	168.1	0	0	0	114	L126 V136 M139 V159 L161 S173 R174 L180 L181 M188 V190	L126-L177 HydrophobicContact CD2-CD1 4.22Å; L126-L177 HydrophobicContact CD2-CD2 3.69Å; L126-L177 HydrophobicContact CD2-CG 3.86Å; V136-L177 HydrophobicContact CG2-CD2 4.13Å; M139-L177 HydrophobicContact CE-CD2 4.16Å; V159-L177 HydrophobicContact CB-CD1 4.4Å; V159-L177 HydrophobicContact CG1-CD1 3.85Å; L161-L177 HydrophobicContact CD1-CD1 3.99Å; S173-L177 WeakPolarHBondContact O-CG 3.24Å; S173-L177 PolarHBondContact O-N 3Å; S173-L177 VanDerWaalsContact O-N 3.11Å; R174-L177 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 2.97Å; L177-L181 PolarHBondContact O-N 3.27Å; L177-M188 HydrophobicContact CB-CE 4.04Å; L177-M188 HydrophobicContact CD2-CE 3.89Å; L177-M188 HydrophobicContact CG-CE 4.43Å; L177-V190 HydrophobicContact CB-CG2 4.42Å; L177-V190 HydrophobicContact CD1-CG1 4.16Å; L177-V190 HydrophobicContact CD1-CG2 4.32Å
178	L	97.5	Very high	94.8	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-44.4	-173.3	-171.8	68	0	0	0	113.6	R174 L180 L181 Q182 N278	R174-L178 WeakPolarHBondContact O-CB 3.41Å; R174-L178 PolarHBondContact O-N 3.19Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 3.32Å; L178-L181 PolarHBondContact O-N 2.86Å; L178-Q182 HydrophobicContact CD1-CG 4.43Å; L178-Q182 HydrophobicContact CG-CG 4.37Å; L178-Q182 WeakPolarHBondContact O-CB 3.42Å; L178-Q182 VanDerWaalsContact O-CG 3.29Å; L178-Q182 WeakPolarHBondContact O-CG 3.33Å; L178-Q182 PolarHBondContact O-N 3.05Å; L178-N278 HydrophobicContact CD1-CB 4.14Å; L178-N278 HydrophobicContact CD2-CB 3.87Å
179	P	97.3	Very high	95.2	Very high	68 Å²	68	51 Å²	51	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-41.4	178	-24	35.3	0	0	0	112.3	T175 Q182 R183	T175-P179 WeakPolarHBondContact O-CD 3.47Å; P179-Q182 PolarHBondContact O-N 2.89Å; P179-R183 WeakPolarHBondContact O-CG 3.31Å; P179-R183 PolarHBondContact O-N 3.24Å; P179-R183 VanDerWaalsContact O-N 3.15Å
180	L	96.5	Very high	95.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-44.8	178.5	-168.5	66.8	0	0	0	111.1	V136 M139 E140 L143 L177 L178 Q182 R183 F184 M188	V136-L180 HydrophobicContact CG1-CD2 4.45Å; M139-L180 HydrophobicContact CB-CD2 3.87Å; E140-L180 HydrophobicContact CB-CD1 3.61Å; E140-L180 HydrophobicContact CG-CD1 3.88Å; L143-L180 HydrophobicContact CD1-CD1 3.94Å; L143-L180 HydrophobicContact CD1-CD2 4.16Å; L143-L180 HydrophobicContact CD1-CG 4.09Å; L177-L180 PolarHBondContact O-N 2.97Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 3.32Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 3.2Å; L180-R183 PolarHBondContact O-N 3.35Å; L180-F184 HydrophobicContact CD1-CD2 3.51Å; L180-F184 HydrophobicContact CD1-CE2 3.62Å; L180-F184 HydrophobicContact CG-CD2 4.19Å; L180-F184 WeakPolarHBondContact O-CD2 3.38Å; L180-F184 PolarHBondContact O-N 3.02Å; L180-M188 HydrophobicContact CB-CE 4.31Å; L180-M188 HydrophobicContact CB-SD 3.83Å; L180-M188 HydrophobicContact CD2-CE 3.93Å; L180-M188 HydrophobicContact CD2-SD 3.65Å; L180-M188 HydrophobicContact CG-CE 4.3Å; L180-M188 HydrophobicContact CG-SD 3.52Å; L180-M188 VanDerWaalsContact CG-SD 3.52Å
181	L	97.1	Very high	96.1	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-38.7	178	-178.8	65.4	0	0	0	112.6	L177 L178 T185 M188 V190 L274	L177-L181 PolarHBondContact O-N 3.27Å; L178-L181 PolarHBondContact O-N 2.86Å; L181-T185 VanDerWaalsContact O-CA 3.3Å; L181-T185 WeakPolarHBondContact O-CA 3.3Å; L181-T185 PolarHBondContact O-N 3.37Å; L181-T185 PolarHBondContact O-OG1 3.23Å; L181-M188 HydrophobicContact CB-SD 4.13Å; L181-M188 HydrophobicContact CD1-CB 4.16Å; L181-M188 HydrophobicContact CD1-CG 4.07Å; L181-M188 WeakPolarHBondContact CD1-O 3.31Å; L181-V190 HydrophobicContact CD1-CG2 4.48Å; L181-L274 HydrophobicContact CD2-CB 4.16Å; L181-L274 HydrophobicContact CD2-CD2 3.96Å; L181-L274 HydrophobicContact CD2-CG 3.8Å; L181-L274 WeakPolarHBondContact CD2-O 3.5Å
182	Q	97.1	Very high	96.3	Very high	101 Å²	101	34.6 Å²	34.6	47%	0.472	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-37.4	176.8	-74.4	172.4	-13.5	0	0	112.1	L178 P179 L180 T185 P276	L178-Q182 HydrophobicContact CD1-CG 4.43Å; L178-Q182 HydrophobicContact CG-CG 4.37Å; L178-Q182 WeakPolarHBondContact O-CB 3.42Å; L178-Q182 VanDerWaalsContact O-CG 3.29Å; L178-Q182 WeakPolarHBondContact O-CG 3.33Å; L178-Q182 PolarHBondContact O-N 3.05Å; P179-Q182 PolarHBondContact O-N 2.89Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 3.2Å; Q182-T185 PolarHBondContact O-OG1 2.91Å; Q182-P276 HydrophobicContact CG-CB 4.02Å; Q182-P276 WeakPolarHBondContact CG-O 3.3Å; Q182-P276 PolarHBondContact NE2-O 3.22Å
183	R	95.6	Very high	96.4	Very high	127 Å²	127	33.8 Å²	33.8	48%	0.479	18%	0.178	S	C	.	.	H	α-helix	trans	-77.7	-33.8	-179.8	-71.3	173	65.1	170.3	-1.6	113.3	E140 P179 L180	E140-R183 VanDerWaalsContact CD-CZ 3.46Å; E140-R183 WeakPolarHBondContact OE1-CD 3.48Å; E140-R183 IonicContact OE1-CZ 3.79Å; E140-R183 IonicContact OE1-NE 2.74Å; E140-R183 PolarHBondContact OE1-NE 3.45Å; E140-R183 IonicContact OE1-NH1 3.88Å; E140-R183 PolarHBondContact OE1-NH1 2.93Å; E140-R183 IonicContact OE1-NH2 2.87Å; E140-R183 IonicContact OE2-CZ 3.78Å; E140-R183 IonicContact OE2-NH1 3.7Å; E140-R183 PolarHBondContact OE2-NH1 3.31Å; P179-R183 WeakPolarHBondContact O-CG 3.31Å; P179-R183 PolarHBondContact O-N 3.24Å; P179-R183 VanDerWaalsContact O-N 3.15Å; L180-R183 PolarHBondContact O-N 3.35Å
184	F	94.4	Very high	96.3	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.013	18%	0.177	C	C	.	.	S	Bend	trans	-124.2	41.4	-171.2	-58.4	-82.3	0	0	0	113	E140 L143 Q144 K147 L180 S186 Q187 M188	E140-F184 HydrophobicContact CG-CE2 4.12Å; L143-F184 HydrophobicContact CB-CD1 3.83Å; L143-F184 HydrophobicContact CB-CD2 4.24Å; L143-F184 HydrophobicContact CB-CE1 3.73Å; L143-F184 HydrophobicContact CB-CE2 4.17Å; L143-F184 HydrophobicContact CB-CG 4.08Å; L143-F184 HydrophobicContact CB-CZ 3.91Å; L143-F184 HydrophobicContact CD1-CB 4.05Å; L143-F184 HydrophobicContact CD1-CD1 4.45Å; L143-F184 HydrophobicContact CD1-CD2 3.93Å; L143-F184 HydrophobicContact CD1-CG 3.9Å; L143-F184 HydrophobicContact CG-CG 4.44Å; Q144-F184 HydrophobicContact CB-CZ 4.26Å; K147-F184 HydrophobicContact CD-CE1 4.29Å; L180-F184 HydrophobicContact CD1-CD2 3.51Å; L180-F184 HydrophobicContact CD1-CE2 3.62Å; L180-F184 HydrophobicContact CG-CD2 4.19Å; L180-F184 WeakPolarHBondContact O-CD2 3.38Å; L180-F184 PolarHBondContact O-N 3.02Å; F184-S186 VanDerWaalsContact C-N 3.26Å; F184-S186 PolarHBondContact O-N 2.93Å; F184-S186 VanDerWaalsContact O-N 3.09Å; F184-Q187 HydrophobicContact CB-CB 4.41Å; F184-Q187 PolarHBondContact O-N 3.22Å; F184-M188 HydrophobicContact CB-CB 4.48Å; F184-M188 WeakPolarHBondContact O-CB 3.48Å; F184-M188 PolarHBondContact O-N 2.87Å
185	T	91.5	Very high	96.1	Very high	78 Å²	78	32.6 Å²	32.6	48%	0.479	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33	-171.2	-51	0	0	0	0	114.9	L181 Q182 P276	L181-T185 VanDerWaalsContact O-CA 3.3Å; L181-T185 WeakPolarHBondContact O-CA 3.3Å; L181-T185 PolarHBondContact O-N 3.37Å; L181-T185 PolarHBondContact O-OG1 3.23Å; Q182-T185 PolarHBondContact O-OG1 2.91Å; T185-P276 HydrophobicContact CG2-CG 3.89Å
186	S	91.3	Very high	95.8	Very high	112 Å²	112	30.5 Å²	30.5	78%	0.783	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-18.2	177.9	55	0	0	0	0	114.2	F184	F184-S186 VanDerWaalsContact C-N 3.26Å; F184-S186 PolarHBondContact O-N 2.93Å; F184-S186 VanDerWaalsContact O-N 3.09Å
187	Q	93.7	Very high	95.3	Very high	26 Å²	26	32 Å²	32	12%	0.121	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-18	-176.5	-68.3	174.7	-98.9	0	0	112.3	L143 L155 K156 V157 F184	L143-Q187 HydrophobicContact CD2-CB 3.81Å; L155-Q187 PolarHBondContact O-NE2 2.95Å; K156-Q187 CarbonylContact C-O 3.31Å; K156-Q187 VanDerWaalsContact CA-O 3.27Å; K156-Q187 WeakPolarHBondContact CA-O 3.46Å; V157-Q187 PolarHBondContact N-O 2.8Å; F184-Q187 HydrophobicContact CB-CB 4.41Å; F184-Q187 PolarHBondContact O-N 3.22Å
188	M	95.3	Very high	94.8	Very high	9 Å²	9	32 Å²	32	4%	0.044	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.3	-174.9	-173	173	178.1	0	0	112.3	V157 V159 L177 L180 L181 F184 V190	V157-M188 HydrophobicContact CB-CG 4.35Å; V157-M188 HydrophobicContact CG1-CG 4.43Å; V157-M188 CarbonylContact O-C 3.58Å; V157-M188 VanDerWaalsContact O-CA 3.27Å; V157-M188 WeakPolarHBondContact O-CA 3.42Å; V159-M188 HydrophobicContact CG2-CE 4.25Å; L177-M188 HydrophobicContact CB-CE 4.04Å; L177-M188 HydrophobicContact CD2-CE 3.89Å; L177-M188 HydrophobicContact CG-CE 4.43Å; L180-M188 HydrophobicContact CB-CE 4.31Å; L180-M188 HydrophobicContact CB-SD 3.83Å; L180-M188 HydrophobicContact CD2-CE 3.93Å; L180-M188 HydrophobicContact CD2-SD 3.65Å; L180-M188 HydrophobicContact CG-CE 4.3Å; L180-M188 HydrophobicContact CG-SD 3.52Å; L180-M188 VanDerWaalsContact CG-SD 3.52Å; L181-M188 HydrophobicContact CB-SD 4.13Å; L181-M188 HydrophobicContact CD1-CB 4.16Å; L181-M188 HydrophobicContact CD1-CG 4.07Å; L181-M188 WeakPolarHBondContact CD1-O 3.31Å; F184-M188 HydrophobicContact CB-CB 4.48Å; F184-M188 WeakPolarHBondContact O-CB 3.48Å; F184-M188 PolarHBondContact O-N 2.87Å; M188-V190 HydrophobicContact CE-CG2 3.44Å; M188-V190 VanDerWaalsContact CE-CG2 3.44Å; M188-V190 HydrophobicContact CG-CG2 4.36Å
189	R	97.3	Very high	94.2	Very high	51 Å²	51	32.9 Å²	32.9	19%	0.192	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.3	172.9	-179.6	-179.7	174.6	-173.5	-4.7	109.6	V157 S158 V159 S191 G268 D269	V157-R189 PolarHBondContact O-N 3.26Å; S158-R189 CarbonylContact C-O 3.56Å; S158-R189 WeakPolarHBondContact CA-O 3.49Å; V159-R189 PolarHBondContact N-O 3.44Å; R189-S191 PolarHBondContact NE-OG 2.9Å; R189-G268 PolarHBondContact NH2-O 3.03Å; R189-D269 IonicContact CZ-OD1 2.79Å; R189-D269 IonicContact NH1-OD1 2.69Å; R189-D269 PolarHBondContact NH1-OD1 3.25Å; R189-D269 IonicContact NH2-OD1 2.76Å; R189-D269 PolarHBondContact NH2-OD1 2.7Å
190	V	98.6	Very high	93.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.6	173.3	-178.2	0	0	0	0	109.5	V159 L177 L181 M188 L192 L274	V159-V190 HydrophobicContact CB-CG2 4.31Å; V159-V190 CarbonylContact O-C 3.2Å; V159-V190 WeakPolarHBondContact O-CA 3.41Å; L177-V190 HydrophobicContact CB-CG2 4.42Å; L177-V190 HydrophobicContact CD1-CG1 4.16Å; L177-V190 HydrophobicContact CD1-CG2 4.32Å; L181-V190 HydrophobicContact CD1-CG2 4.48Å; M188-V190 HydrophobicContact CE-CG2 3.44Å; M188-V190 VanDerWaalsContact CE-CG2 3.44Å; M188-V190 HydrophobicContact CG-CG2 4.36Å; V190-L192 HydrophobicContact CG1-CD2 4.34Å; V190-L274 HydrophobicContact CB-CB 3.98Å; V190-L274 HydrophobicContact CB-CD2 4.24Å; V190-L274 HydrophobicContact CG1-CB 4.07Å; V190-L274 HydrophobicContact CG1-CD2 4.03Å; V190-L274 PolarHBondContact O-N 3.21Å
191	S	98.6	Very high	92.1	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.3	177.7	-67.5	0	0	0	0	111.1	V159 L160 L161 R189 G268 L272 Q273	V159-S191 PolarHBondContact O-N 3.48Å; L160-S191 WeakPolarHBondContact CA-O 3.26Å; L161-S191 PolarHBondContact N-O 3.12Å; R189-S191 PolarHBondContact NE-OG 2.9Å; S191-G268 WeakPolarHBondContact OG-CA 3.35Å; S191-G268 PolarHBondContact OG-O 3.16Å; S191-L272 CarbonylContact C-O 3.48Å; S191-Q273 PolarHBondContact OG-NE2 2.77Å; S191-Q273 PolarHBondContact OG-OE1 2.97Å; S191-Q273 VanDerWaalsContact OG-OE1 3.08Å
192	L	98.4	Very high	90.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	96.4	-176.1	-60.1	173.1	0	0	0	109	L161 Y163 R174 V190 L272 L274 V280	L161-L192 HydrophobicContact CB-CD2 4.06Å; L161-L192 CarbonylContact O-C 3.55Å; L161-L192 VanDerWaalsContact O-CA 3.3Å; L161-L192 WeakPolarHBondContact O-CA 3.35Å; Y163-L192 HydrophobicContact CD2-CB 3.93Å; Y163-L192 HydrophobicContact CD2-CD1 3.96Å; Y163-L192 HydrophobicContact CG-CB 4.47Å; R174-L192 HydrophobicContact CG-CD1 3.86Å; R174-L192 HydrophobicContact CG-CD2 4.19Å; V190-L192 HydrophobicContact CG1-CD2 4.34Å; L192-L272 HydrophobicContact CB-CB 4.25Å; L192-L272 WeakPolarHBondContact CB-O 3.46Å; L192-L272 PolarHBondContact N-O 2.91Å; L192-L272 WeakPolarHBondContact O-CB 3.2Å; L192-L272 PolarHBondContact O-N 2.86Å; L192-L274 HydrophobicContact CD1-CB 4.24Å; L192-V280 HydrophobicContact CD1-CG1 3.82Å
193	Y	97.9	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.4	-179.8	173.4	-98.8	0	0	0	111	L161 Y163 P196 Q217 V267 F270 S271 F297 L485	L161-Y193 PolarHBondContact O-N 3.43Å; Y163-Y193 WeakPolarHBondContact CB-O 3.49Å; Y163-Y193 PolarHBondContact N-O 3.1Å; Y193-P196 VanDerWaalsContact OH-CD 3.32Å; Y193-P196 WeakPolarHBondContact OH-CD 3.23Å; Y193-Q217 HydrophobicContact CD1-CB 3.73Å; Y193-Q217 HydrophobicContact CG-CB 4.1Å; Y193-V267 HydrophobicContact CD2-CG1 4.29Å; Y193-F270 HydrophobicContact CD2-CD2 4.26Å; Y193-F270 AromaticContact CD2-CE2 3.82Å; Y193-F270 HydrophobicContact CD2-CE2 3.82Å; Y193-F270 HydrophobicContact CE2-CD2 4.26Å; Y193-F270 AromaticContact CE2-CE2 3.72Å; Y193-F270 HydrophobicContact CE2-CE2 3.72Å; Y193-S271 VanDerWaalsContact CA-OG 3.31Å; Y193-S271 WeakPolarHBondContact CA-OG 3.49Å; Y193-S271 WeakPolarHBondContact CB-OG 3.5Å; Y193-F297 HydrophobicContact CE2-CZ 4.39Å; Y193-L485 HydrophobicContact CD1-CD2 4.18Å; Y193-L485 HydrophobicContact CD2-CD2 3.87Å; Y193-L485 HydrophobicContact CE1-CD1 3.78Å; Y193-L485 HydrophobicContact CE1-CD2 3.83Å; Y193-L485 HydrophobicContact CE1-CG 4.4Å; Y193-L485 HydrophobicContact CE2-CD1 4.42Å; Y193-L485 HydrophobicContact CE2-CD2 3.54Å; Y193-L485 HydrophobicContact CG-CD2 4.17Å; Y193-L485 VanDerWaalsContact CZ-CD2 3.49Å; Y193-L485 VanDerWaalsContact OH-CD1 3.23Å; Y193-L485 WeakPolarHBondContact OH-CD1 3.21Å
194	H	95.5	Very high	88.2	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.233	C	C	.	.			trans	-130	126.4	174.3	-171.6	-59.8	0	0	0	109.6	Y163 L198 L272 P289 Y290	Y163-H194 AromaticContact CD1-CD2 3.45Å; Y163-H194 VanDerWaalsContact CD1-CD2 3.45Å; Y163-H194 WeakPolarHBondContact CD1-CD2 3.03Å; H194-L198 PolarHBondContact CE1-O 2.79Å; H194-L198 VanDerWaalsContact CE1-O 3.23Å; H194-L272 HydrophobicContact CB-CD1 4.31Å; H194-P289 HydrophobicContact CB-CB 4.18Å; H194-P289 HydrophobicContact CB-CG 3.99Å; H194-P289 WeakPolarHBondContact O-CB 3.16Å; H194-Y290 HydrophobicContact CB-CD1 4.46Å; H194-Y290 AromaticContact CD2-CD1 3.54Å; H194-Y290 AromaticContact CD2-CE1 3.66Å; H194-Y290 AromaticContact CE1-CD1 3.63Å; H194-Y290 AromaticContact CG-CD1 3.7Å; H194-Y290 AromaticContact ND1-CD1 3.74Å; H194-Y290 AromaticContact NE2-CD1 3.51Å; H194-Y290 AromaticContact NE2-CE1 3.88Å
195	T	92.9	Very high	86.5	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.018	27%	0.266	C	S	.	.			trans	-59.2	136.2	178.6	178.1	0	0	0	0	112	D197 L198 I214 G215	T195-D197 PolarHBondContact O-N 3.48Å; T195-D197 PolarHBondContact OG1-N 2.85Å; T195-L198 HydrophobicContact CG2-CB 3.55Å; T195-L198 PolarHBondContact O-N 3.27Å; T195-I214 HydrophobicContact CG2-CG2 4.21Å; T195-G215 WeakPolarHBondContact CB-O 3.26Å; T195-G215 WeakPolarHBondContact CG2-O 3.47Å
196	P	90.3	Very high	85.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9	176.3	30.8	-36.2	0	0	0	113.6	Y193 R199 P289 R294 F297	Y193-P196 VanDerWaalsContact OH-CD 3.32Å; Y193-P196 WeakPolarHBondContact OH-CD 3.23Å; P196-R199 WeakPolarHBondContact O-CD 3.35Å; P196-R199 WeakPolarHBondContact O-CG 3.46Å; P196-R199 PolarHBondContact O-NE 3.21Å; P196-P289 WeakPolarHBondContact CA-O 3.44Å; P196-R294 HydrophobicContact CB-CG 4.13Å; P196-F297 HydrophobicContact CB-CD1 3.57Å; P196-F297 HydrophobicContact CB-CE1 3.81Å; P196-F297 HydrophobicContact CB-CG 4.5Å; P196-F297 HydrophobicContact CG-CD1 3.89Å; P196-F297 HydrophobicContact CG-CE1 3.8Å
197	D	86.9	Confident	83.8	Confident	53 Å²	53	44.5 Å²	44.5	28%	0.283	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.3	-179.7	-63	-37.3	0	0	0	112.6	T195 R199 L202 I214 R294	T195-D197 PolarHBondContact O-N 3.48Å; T195-D197 PolarHBondContact OG1-N 2.85Å; D197-R199 PolarHBondContact O-N 2.68Å; D197-L202 WeakPolarHBondContact O-CD2 3.34Å; D197-I214 HydrophobicContact CB-CG2 3.7Å; D197-R294 IonicContact OD1-NH1 3.8Å; D197-R294 PolarHBondContact OD1-NH1 3.31Å
198	L	86.3	Confident	82.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.263	C	S	.	.	S	Bend	trans	-90.4	83.1	174.4	179.4	67.9	0	0	0	110.5	T164 H194 T195 R203 N211 I214	T164-L198 HydrophobicContact CG2-CD2 3.9Å; H194-L198 PolarHBondContact CE1-O 2.79Å; H194-L198 VanDerWaalsContact CE1-O 3.23Å; T195-L198 HydrophobicContact CG2-CB 3.55Å; T195-L198 PolarHBondContact O-N 3.27Å; L198-R203 HydrophobicContact CD1-CB 4.22Å; L198-R203 HydrophobicContact CG-CB 4.26Å; L198-R203 HydrophobicContact CG-CG 4.37Å; L198-N211 HydrophobicContact CD1-CB 4.44Å; L198-N211 HydrophobicContact CD2-CB 3.75Å; L198-I214 HydrophobicContact CB-CD1 4.43Å; L198-I214 HydrophobicContact CB-CG2 4.42Å; L198-I214 HydrophobicContact CD1-CD1 3.51Å
199	R	86.3	Confident	80.5	Confident	44 Å²	44	57.9 Å²	57.9	17%	0.166	29%	0.294	C	S	.	.			trans	-134.7	165.8	-174.5	-61.2	-175.4	161.4	-151.3	-6.9	113.4	P196 D197 L202 R203 H288 P289 G292 N293 R294	P196-R199 WeakPolarHBondContact O-CD 3.35Å; P196-R199 WeakPolarHBondContact O-CG 3.46Å; P196-R199 PolarHBondContact O-NE 3.21Å; D197-R199 PolarHBondContact O-N 2.68Å; R199-L202 WeakPolarHBondContact O-CB 3.37Å; R199-L202 PolarHBondContact O-N 3.07Å; R199-R203 PolarHBondContact O-N 2.85Å; R199-H288 PolarHBondContact NH2-O 3.23Å; R199-P289 PolarHBondContact NE-O 2.82Å; R199-P289 PolarHBondContact NH2-O 3.38Å; R199-G292 PolarHBondContact NH1-O 3.18Å; R199-G292 PolarHBondContact NH2-O 2.98Å; R199-N293 PolarHBondContact NH2-O 3.46Å; R199-R294 VanDerWaalsContact NH1-CA 3.33Å
200	G	81.5	Confident	78.7	Confident	54 Å²	54	59.8 Å²	59.8	56%	0.557	30%	0.303	S	S	*	.	H	α-helix	trans	54.1	-135.3	170.8	0	0	0	0	0	114.2	L202 R203 L204	G200-L202 VanDerWaalsContact C-N 3.25Å; G200-L202 PolarHBondContact O-N 3.17Å; G200-R203 PolarHBondContact O-N 2.9Å; G200-L204 PolarHBondContact O-N 2.77Å
201	L	67.8	Low	77.2	Confident	128 Å²	128	60.5 Å²	60.5	67%	0.67	31%	0.307	S	S	*	.	H	α-helix	trans	-60.6	-32.6	178.6	-69.6	174.5	0	0	0	112.9	R203 L204 L205	L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.12Å; L201-L204 HydrophobicContact CD2-CD1 4.4Å; L201-L204 PolarHBondContact O-N 2.75Å; L201-L204 VanDerWaalsContact O-N 3.1Å; L201-L205 HydrophobicContact CB-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 VanDerWaalsContact O-CG 3.31Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 2.78Å
202	L	69.8	Low	75.5	Confident	82 Å²	82	62.1 Å²	62.1	43%	0.429	31%	0.314	S	S	.	.	H	α-helix	trans	-60.4	-41.6	177.9	-169.8	69.6	0	0	0	110.4	D197 R199 G200 L204 V206 I214	D197-L202 WeakPolarHBondContact O-CD2 3.34Å; R199-L202 WeakPolarHBondContact O-CB 3.37Å; R199-L202 PolarHBondContact O-N 3.07Å; G200-L202 VanDerWaalsContact C-N 3.25Å; G200-L202 PolarHBondContact O-N 3.17Å; L202-L204 VanDerWaalsContact C-N 3.34Å; L202-L204 PolarHBondContact O-N 3.05Å; L202-V206 HydrophobicContact CD1-CG2 3.49Å; L202-V206 VanDerWaalsContact CD1-CG2 3.49Å; L202-V206 HydrophobicContact CG-CG2 3.85Å; L202-V206 WeakPolarHBondContact O-CB 3.21Å; L202-V206 WeakPolarHBondContact O-CG2 3.47Å; L202-V206 PolarHBondContact O-N 3.35Å; L202-I214 HydrophobicContact CD2-CD1 3.64Å; L202-I214 HydrophobicContact CD2-CG1 4.4Å; L202-I214 HydrophobicContact CG-CD1 3.99Å
203	R	74.8	Confident	74.1	Confident	89 Å²	89	62.7 Å²	62.7	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-32.4	175.5	-175.7	179.7	175.1	-149.3	3.4	113.5	L198 R199 G200 L201 Y290	L198-R203 HydrophobicContact CD1-CB 4.22Å; L198-R203 HydrophobicContact CG-CB 4.26Å; L198-R203 HydrophobicContact CG-CG 4.37Å; R199-R203 PolarHBondContact O-N 2.85Å; G200-R203 PolarHBondContact O-N 2.9Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.12Å; R203-Y290 VanDerWaalsContact NH1-CZ 3.3Å
204	L	64.1	Low	73.3	Confident	142 Å²	142	63.6 Å²	63.6	74%	0.743	32%	0.323	S	S	*	.	H	α-helix	trans	-78.7	-34.1	-179.8	-71	169	0	0	0	112.8	G200 L201 L202	G200-L204 PolarHBondContact O-N 2.77Å; L201-L204 HydrophobicContact CD2-CD1 4.4Å; L201-L204 PolarHBondContact O-N 2.75Å; L201-L204 VanDerWaalsContact O-N 3.1Å; L202-L204 VanDerWaalsContact C-N 3.34Å; L202-L204 PolarHBondContact O-N 3.05Å
205	L	57.8	Low	72.8	Confident	135 Å²	135	63.6 Å²	63.6	71%	0.707	32%	0.323	S	S	*	.	H	α-helix	trans	-98.4	-27.1	-171.6	-63.1	174.8	0	0	0	113.4	L201 P207	L201-L205 HydrophobicContact CB-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 VanDerWaalsContact O-CG 3.31Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 2.78Å; L205-P207 WeakPolarHBondContact O-CD 3.35Å
206	V	63.4	Low	72.8	Confident	31 Å²	31	63.6 Å²	63.6	19%	0.188	32%	0.323	C	S	.	.	S	Bend	trans	-75.7	120.2	179	178.8	0	0	0	0	108.9	L202 Q208 F210 N211	L202-V206 HydrophobicContact CD1-CG2 3.49Å; L202-V206 VanDerWaalsContact CD1-CG2 3.49Å; L202-V206 HydrophobicContact CG-CG2 3.85Å; L202-V206 WeakPolarHBondContact O-CB 3.21Å; L202-V206 WeakPolarHBondContact O-CG2 3.47Å; L202-V206 PolarHBondContact O-N 3.35Å; V206-Q208 PolarHBondContact O-N 3.16Å; V206-F210 HydrophobicContact CG1-CB 3.52Å; V206-N211 WeakPolarHBondContact CB-OD1 3.39Å; V206-N211 WeakPolarHBondContact CG1-OD1 3.38Å; V206-N211 PolarHBondContact O-OD1 3.01Å
207	P	61.9	Low	73.1	Confident	78 Å²	78	63.6 Å²	63.6	51%	0.506	32%	0.323	S	S	.	.			trans	-58.6	143.4	175.3	-19.7	30.1	0	0	0	109.8	L205 R209 F210 N211	L205-P207 WeakPolarHBondContact O-CD 3.35Å; P207-R209 PolarHBondContact O-N 2.92Å; P207-F210 HydrophobicContact CB-CD2 3.98Å; P207-F210 HydrophobicContact CG-CD2 3.9Å; P207-F210 HydrophobicContact CG-CE2 4.33Å; P207-F210 PolarHBondContact O-N 2.79Å; P207-N211 PolarHBondContact O-N 3.03Å
208	Q	59	Low	73.5	Confident	134 Å²	134	61.9 Å²	61.9	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-48.3	-31.8	-175.2	-70.8	-178.8	-9.9	0	0	114.3	V206 F210 N211	V206-Q208 PolarHBondContact O-N 3.16Å; Q208-F210 VanDerWaalsContact C-N 3.26Å; Q208-F210 PolarHBondContact O-N 2.92Å; Q208-N211 PolarHBondContact O-N 3.28Å
209	R	60.8	Low	74.1	Confident	181 Å²	181	61.9 Å²	61.9	68%	0.683	31%	0.313	S	S	*	.	H	α-helix	trans	-65.9	-22.7	178.1	-61.4	-176.4	177.8	-178.1	-1.6	114.3	P207	P207-R209 PolarHBondContact O-N 2.92Å
210	F	60.9	Low	74.7	Confident	91 Å²	91	59.9 Å²	59.9	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-103.9	-11.4	-178.2	-65.7	-75.2	0	0	0	113	V206 P207 Q208 E212 T213	V206-F210 HydrophobicContact CG1-CB 3.52Å; P207-F210 HydrophobicContact CB-CD2 3.98Å; P207-F210 HydrophobicContact CG-CD2 3.9Å; P207-F210 HydrophobicContact CG-CE2 4.33Å; P207-F210 PolarHBondContact O-N 2.79Å; Q208-F210 VanDerWaalsContact C-N 3.26Å; Q208-F210 PolarHBondContact O-N 2.92Å; F210-E212 PolarHBondContact O-N 3.15Å; F210-T213 WeakPolarHBondContact O-CB 3.47Å; F210-T213 PolarHBondContact O-N 2.99Å; F210-T213 PolarHBondContact O-OG1 3.19Å
211	N	65.4	Low	75.5	Confident	16 Å²	16	57.5 Å²	57.5	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-54.6	-36.1	174.1	-72.9	-5.8	0	0	0	111.4	T164 L198 V206 P207 Q208 T213 I214	T164-N211 HydrophobicContact CG2-CB 4.29Å; L198-N211 HydrophobicContact CD1-CB 4.44Å; L198-N211 HydrophobicContact CD2-CB 3.75Å; V206-N211 WeakPolarHBondContact CB-OD1 3.39Å; V206-N211 WeakPolarHBondContact CG1-OD1 3.38Å; V206-N211 PolarHBondContact O-OD1 3.01Å; P207-N211 PolarHBondContact O-N 3.03Å; Q208-N211 PolarHBondContact O-N 3.28Å; N211-T213 PolarHBondContact O-N 2.81Å; N211-T213 VanDerWaalsContact O-N 3.12Å; N211-I214 PolarHBondContact O-N 3.08Å
212	E	64.1	Low	77	Confident	39 Å²	39	51.4 Å²	51.4	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	178.4	-52.5	176.3	-167.5	0	0	112.7	R165 R168 F210 V216 R479	R165-E212 VanDerWaalsContact CD-CG 3.44Å; R165-E212 WeakPolarHBondContact CD-OE1 3.45Å; R165-E212 WeakPolarHBondContact CD-OE2 3.39Å; R165-E212 HydrophobicContact CG-CG 4.36Å; R165-E212 IonicContact CZ-OE1 3.49Å; R165-E212 IonicContact CZ-OE2 2.77Å; R165-E212 IonicContact NE-OE1 3.75Å; R165-E212 IonicContact NE-OE2 3.67Å; R165-E212 IonicContact NH1-OE1 2.89Å; R165-E212 PolarHBondContact NH1-OE1 3.14Å; R165-E212 IonicContact NH1-OE2 3.89Å; R168-E212 IonicContact CZ-OE1 3.61Å; R168-E212 IonicContact NH1-OE1 3.95Å; R168-E212 PolarHBondContact NH1-OE1 3.06Å; F210-E212 PolarHBondContact O-N 3.15Å; E212-V216 HydrophobicContact CB-CG1 4.39Å; E212-R479 PolarHBondContact O-NH1 3.32Å; E212-R479 PolarHBondContact O-NH2 3.43Å
213	T	68.3	Low	78.3	Confident	12 Å²	12	47.5 Å²	47.5	7%	0.074	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.9	-175.2	70	0	0	0	0	113.4	F210 N211 R483 F542 F543	F210-T213 WeakPolarHBondContact O-CB 3.47Å; F210-T213 PolarHBondContact O-N 2.99Å; F210-T213 PolarHBondContact O-OG1 3.19Å; N211-T213 PolarHBondContact O-N 2.81Å; N211-T213 VanDerWaalsContact O-N 3.12Å; T213-R483 PolarHBondContact O-NH1 3.49Å; T213-F542 WeakPolarHBondContact O-CD1 3.34Å; T213-F542 WeakPolarHBondContact OG1-CD1 3.34Å; T213-F543 HydrophobicContact CG2-CE1 3.89Å; T213-F543 HydrophobicContact CG2-CE2 4.02Å; T213-F543 HydrophobicContact CG2-CZ 3.53Å
214	I	80.7	Confident	79.4	Confident	21 Å²	21	43.6 Å²	43.6	11%	0.108	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-40.7	-178.5	-68.9	158.7	0	0	0	111.3	T195 D197 L198 L202 N211 R483	T195-I214 HydrophobicContact CG2-CG2 4.21Å; D197-I214 HydrophobicContact CB-CG2 3.7Å; L198-I214 HydrophobicContact CB-CD1 4.43Å; L198-I214 HydrophobicContact CB-CG2 4.42Å; L198-I214 HydrophobicContact CD1-CD1 3.51Å; L202-I214 HydrophobicContact CD2-CD1 3.64Å; L202-I214 HydrophobicContact CD2-CG1 4.4Å; L202-I214 HydrophobicContact CG-CD1 3.99Å; N211-I214 PolarHBondContact O-N 3.08Å; I214-R483 WeakPolarHBondContact O-CB 3.33Å; I214-R483 WeakPolarHBondContact O-CD 3.2Å
215	G	86.8	Confident	81	Confident	2 Å²	2	38 Å²	38	2%	0.021	18%	0.184	C	C	.	.			trans	162.3	141.2	175.7	0	0	0	0	0	110.4	T195 R483 D484	T195-G215 WeakPolarHBondContact CB-O 3.26Å; T195-G215 WeakPolarHBondContact CG2-O 3.47Å; G215-R483 WeakPolarHBondContact CA-O 3.45Å; G215-D484 WeakPolarHBondContact CA-OD1 3.32Å
216	V	92.8	Very high	82.9	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	16%	0.16	C	C	.	.			trans	-132.9	161.4	-177.6	-60.7	0	0	0	0	112	L124 D162 E212 H218 D484 L485	L124-V216 HydrophobicContact CD1-CB 3.76Å; L124-V216 HydrophobicContact CD1-CG1 4.3Å; L124-V216 HydrophobicContact CD1-CG2 3.6Å; D162-V216 WeakPolarHBondContact OD2-CA 3.36Å; D162-V216 WeakPolarHBondContact OD2-CB 3.42Å; E212-V216 HydrophobicContact CB-CG1 4.39Å; V216-H218 HydrophobicContact CG2-CB 4.18Å; V216-H218 PolarHBondContact O-N 2.74Å; V216-D484 HydrophobicContact CG2-CB 4.44Å; V216-D484 WeakPolarHBondContact CG2-OD1 3.42Å; V216-D484 PolarHBondContact N-OD1 3.09Å; V216-D484 WeakPolarHBondContact O-CA 3.45Å; V216-L485 PolarHBondContact O-N 3.33Å
217	Q	95.9	Very high	84.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-63.3	131.7	155	-175.2	-72	-6.8	0	0	107.3	S123 L124 L160 D162 Y193 I219	S123-Q217 PolarHBondContact O-OE1 3.42Å; L124-Q217 WeakPolarHBondContact CD1-O 3.29Å; L160-Q217 HydrophobicContact CD2-CG 4.3Å; L160-Q217 HydrophobicContact CG-CG 4.26Å; D162-Q217 HydrophobicContact CB-CB 4.14Å; D162-Q217 PolarHBondContact OD2-N 3.44Å; Y193-Q217 HydrophobicContact CD1-CB 3.73Å; Y193-Q217 HydrophobicContact CG-CB 4.1Å; Q217-I219 VanDerWaalsContact NE2-CB 3.32Å; Q217-I219 PolarHBondContact NE2-O 3.31Å
218	H	95.9	Very high	86.3	Confident	17 Å²	17	29 Å²	29	8%	0.079	13%	0.133	C	C	.	.			trans	-138.7	15.8	177.4	-156.4	-119.5	0	0	0	113.4	V216 K220 K454 S473 D484 L485 E486	V216-H218 HydrophobicContact CG2-CB 4.18Å; V216-H218 PolarHBondContact O-N 2.74Å; H218-K220 PolarHBondContact CE1-NZ 3.39Å; H218-K220 PolarHBondContact NE2-NZ 3.28Å; H218-K220 VanDerWaalsContact NE2-NZ 3.12Å; H218-K220 WeakPolarHBondContact O-CD 3.36Å; H218-K220 WeakPolarHBondContact O-CE 3.45Å; H218-K454 PolarHBondContact CE1-NZ 2.94Å; H218-S473 PolarHBondContact CE1-O 2.89Å; H218-S473 PolarHBondContact ND1-O 3.18Å; H218-S473 WeakPolarHBondContact O-CB 3.5Å; H218-S473 PolarHBondContact O-OG 2.83Å; H218-D484 HydrophobicContact CB-CB 4.2Å; H218-L485 CarbonylContact C-O 3.58Å; H218-L485 VanDerWaalsContact C-O 3.31Å; H218-L485 VanDerWaalsContact CA-O 3.29Å; H218-L485 WeakPolarHBondContact CA-O 3.41Å; H218-L485 WeakPolarHBondContact CB-O 3.15Å; H218-L485 PolarHBondContact N-O 2.62Å; H218-E486 WeakPolarHBondContact CB-OE2 3.4Å; H218-E486 IonicContact CE1-OE1 3.81Å; H218-E486 IonicContact CE1-OE2 2.7Å; H218-E486 IonicContact CG-OE1 3.28Å; H218-E486 IonicContact CG-OE2 3.17Å; H218-E486 IonicContact ND1-OE1 3.24Å; H218-E486 PolarHBondContact ND1-OE1 3.26Å; H218-E486 IonicContact ND1-OE2 3.6Å; H218-E486 PolarHBondContact ND1-OE2 3.11Å
219	I	98.1	Very high	88.2	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.			trans	-71.4	131	174.7	-59.2	170	0	0	0	110.2	A122 S123 Q217 V221 L263 V267 M344 L485 A487	A122-I219 CarbonylContact C-O 3.58Å; A122-I219 HydrophobicContact CB-CB 4.41Å; A122-I219 HydrophobicContact CB-CG2 4.03Å; S123-I219 WeakPolarHBondContact CA-O 3.5Å; S123-I219 PolarHBondContact N-O 3.22Å; Q217-I219 VanDerWaalsContact NE2-CB 3.32Å; Q217-I219 PolarHBondContact NE2-O 3.31Å; I219-V221 HydrophobicContact CG2-CB 4.17Å; I219-V221 HydrophobicContact CG2-CG2 3.48Å; I219-V221 VanDerWaalsContact CG2-CG2 3.48Å; I219-L263 HydrophobicContact CD1-CD2 4.45Å; I219-V267 HydrophobicContact CD1-CG2 4.29Å; I219-M344 HydrophobicContact CD1-CE 3.87Å; I219-L485 PolarHBondContact N-O 2.91Å; I219-A487 HydrophobicContact CB-CB 4.46Å; I219-A487 HydrophobicContact CD1-CB 4.41Å; I219-A487 HydrophobicContact CG1-CB 3.96Å; I219-A487 HydrophobicContact CG2-CB 3.97Å
220	K	98.1	Very high	90	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.013	7%	0.071	C	C	.	.			trans	-121.7	94.8	178.9	-78.7	60.3	165.1	-67.5	0	108.6	A122 H218 Y222 S231 G232 A233 N234	A122-K220 VanDerWaalsContact O-CA 3.29Å; A122-K220 WeakPolarHBondContact O-CA 3.36Å; H218-K220 PolarHBondContact CE1-NZ 3.39Å; H218-K220 PolarHBondContact NE2-NZ 3.28Å; H218-K220 VanDerWaalsContact NE2-NZ 3.12Å; H218-K220 WeakPolarHBondContact O-CD 3.36Å; H218-K220 WeakPolarHBondContact O-CE 3.45Å; K220-Y222 HydrophobicContact CB-CE2 4.38Å; K220-S231 WeakPolarHBondContact CB-O 3.48Å; K220-G232 PolarHBondContact NZ-O 3.43Å; K220-A233 WeakPolarHBondContact CG-O 3.38Å; K220-N234 WeakPolarHBondContact CE-OD1 3.5Å; K220-N234 PolarHBondContact NZ-OD1 3.34Å
221	V	98.5	Very high	91.8	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.018	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	125.2	-175.1	170.6	0	0	0	0	106.7	A122 I219 V228 I230 F260	A122-V221 HydrophobicContact CB-CB 4.27Å; A122-V221 PolarHBondContact N-O 3.49Å; A122-V221 PolarHBondContact O-N 3.18Å; A122-V221 VanDerWaalsContact O-N 3.13Å; I219-V221 HydrophobicContact CG2-CB 4.17Å; I219-V221 HydrophobicContact CG2-CG2 3.48Å; I219-V221 VanDerWaalsContact CG2-CG2 3.48Å; V221-V228 HydrophobicContact CG1-CG2 3.8Å; V221-I230 HydrophobicContact CB-CD1 4.46Å; V221-I230 HydrophobicContact CG1-CD1 4.39Å; V221-I230 HydrophobicContact CG2-CD1 3.77Å; V221-F260 HydrophobicContact CG1-CB 3.89Å; V221-F260 HydrophobicContact CG1-CD1 4.32Å; V221-F260 HydrophobicContact CG1-CG 4.21Å; V221-F260 HydrophobicContact CG2-CD1 3.7Å; V221-F260 HydrophobicContact CG2-CE1 4.05Å; V221-F260 HydrophobicContact CG2-CG 4.32Å
222	Y	98.8	Very high	93.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	111.6	179.9	-47.3	-70.7	0	0	0	108.1	F104 M108 V120 M121 A122 K220 V228 I229 A233 L235	F104-Y222 AromaticContact CE2-CD2 3.76Å; F104-Y222 HydrophobicContact CE2-CD2 3.76Å; F104-Y222 AromaticContact CE2-CE2 3.84Å; F104-Y222 HydrophobicContact CE2-CE2 3.84Å; F104-Y222 AromaticContact CZ-CD2 3.92Å; F104-Y222 HydrophobicContact CZ-CD2 3.92Å; F104-Y222 AromaticContact CZ-CE2 3.56Å; F104-Y222 HydrophobicContact CZ-CE2 3.56Å; M108-Y222 HydrophobicContact SD-CD1 4.38Å; M108-Y222 HydrophobicContact SD-CD2 4.27Å; M108-Y222 HydrophobicContact SD-CG 4.11Å; V120-Y222 WeakPolarHBondContact O-CA 3.46Å; M121-Y222 HydrophobicContact SD-CD1 3.65Å; M121-Y222 HydrophobicContact SD-CG 4.34Å; A122-Y222 WeakPolarHBondContact O-CE1 3.36Å; K220-Y222 HydrophobicContact CB-CE2 4.38Å; Y222-V228 CarbonylContact O-C 3.59Å; Y222-V228 WeakPolarHBondContact O-CA 3.36Å; Y222-I229 HydrophobicContact CD2-CB 4.42Å; Y222-I229 HydrophobicContact CD2-CG2 4.41Å; Y222-I229 PolarHBondContact N-O 3.21Å; Y222-I229 PolarHBondContact O-N 2.99Å; Y222-A233 PolarHBondContact OH-O 3.29Å; Y222-L235 HydrophobicContact CD1-CD2 4.01Å; Y222-L235 HydrophobicContact CE1-CD1 3.95Å; Y222-L235 HydrophobicContact CE1-CD2 3.39Å; Y222-L235 HydrophobicContact CE1-CG 3.61Å
223	L	98.4	Very high	94.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.1	-168.4	173.1	161.3	0	0	0	110.8	R118 V119 V120 S227 V228 A257	R118-L223 HydrophobicContact CG-CD2 3.74Å; V119-L223 CarbonylContact C-O 3.55Å; V119-L223 WeakPolarHBondContact CA-O 3.4Å; V120-L223 HydrophobicContact CB-CB 4.15Å; V120-L223 HydrophobicContact CB-CD2 4.28Å; V120-L223 HydrophobicContact CG2-CD2 4.03Å; V120-L223 PolarHBondContact N-O 3.45Å; V120-L223 PolarHBondContact O-N 3.21Å; L223-S227 CarbonylContact C-O 3.58Å; L223-S227 WeakPolarHBondContact CA-O 3.42Å; L223-V228 HydrophobicContact CB-CB 4.36Å; L223-V228 HydrophobicContact CB-CG2 4.27Å; L223-A257 HydrophobicContact CD1-CB 3.69Å; L223-A257 WeakPolarHBondContact CD1-O 3.32Å; L223-A257 HydrophobicContact CG-CB 4.31Å
224	F	98.1	Very high	96.1	Very high	8 Å²	8	7 Å²	7	4%	0.035	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	101	-178.1	-41.7	-71.9	0	0	0	107.4	M108 G111 I112 A115 V119 M121 D226 S227 I229	M108-F224 HydrophobicContact CB-CZ 4.14Å; M108-F224 HydrophobicContact CG-CZ 4.12Å; G111-F224 VanDerWaalsContact C-CG 3.48Å; G111-F224 WeakPolarHBondContact O-CB 3.31Å; I112-F224 HydrophobicContact CD1-CE1 4.48Å; I112-F224 HydrophobicContact CG1-CD1 4.04Å; I112-F224 HydrophobicContact CG1-CE1 3.52Å; I112-F224 HydrophobicContact CG1-CZ 4.44Å; A115-F224 HydrophobicContact CB-CB 4.44Å; V119-F224 HydrophobicContact CG1-CD1 4.25Å; V119-F224 HydrophobicContact CG1-CE1 4.27Å; V119-F224 HydrophobicContact CG2-CD1 4.43Å; M121-F224 HydrophobicContact CE-CE1 3.62Å; M121-F224 HydrophobicContact CE-CZ 4.15Å; M121-F224 HydrophobicContact SD-CE1 4.4Å; F224-D226 PolarHBondContact O-N 3.22Å; F224-S227 PolarHBondContact N-O 2.73Å; F224-S227 PolarHBondContact O-N 3.19Å; F224-I229 HydrophobicContact CE2-CD1 3.93Å; F224-I229 HydrophobicContact CE2-CG1 4.29Å
225	D	97.1	Very high	97	Very high	24 Å²	24	6.2 Å²	6.2	13%	0.128	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-100.6	-172.5	-64.7	-25.1	0	0	0	114.1	A115 Q116 R117 R118	A115-D225 WeakPolarHBondContact CA-OD2 3.4Å; Q116-D225 PolarHBondContact N-OD1 3.39Å; Q116-D225 PolarHBondContact N-OD2 3.33Å; R117-D225 WeakPolarHBondContact CA-OD1 3.33Å; R117-D225 WeakPolarHBondContact CB-OD1 3.49Å; R117-D225 PolarHBondContact N-OD1 2.69Å; R118-D225 VanDerWaalsContact CZ-O 3.32Å; R118-D225 PolarHBondContact N-OD1 3.11Å; R118-D225 PolarHBondContact NE-O 3.4Å; R118-D225 PolarHBondContact NH2-O 3.33Å; R118-D225 PolarHBondContact O-N 3.05Å
226	D	97.9	Very high	97.4	Very high	35 Å²	35	6.5 Å²	6.5	19%	0.187	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	4.2	-179.5	-64.7	-29.2	0	0	0	112.5	R117 R118 F224 N252 C253 R254	R117-D226 IonicContact CZ-OD1 2.89Å; R117-D226 IonicContact CZ-OD2 3.39Å; R117-D226 IonicContact NH2-OD1 3.79Å; R117-D226 PolarHBondContact NH2-OD1 3.33Å; R117-D226 IonicContact NH2-OD2 3.38Å; R117-D226 PolarHBondContact NH2-OD2 3.32Å; R118-D226 IonicContact NH2-OD1 2.63Å; F224-D226 PolarHBondContact O-N 3.22Å; D226-N252 CarbonylContact O-C 3.54Å; D226-N252 PolarHBondContact O-N 3.4Å; D226-C253 CarbonylContact O-C 3.6Å; D226-C253 PolarHBondContact O-N 3.41Å; D226-R254 HydrophobicContact CB-CB 4.1Å; D226-R254 WeakPolarHBondContact OD1-CG 3.43Å
227	S	98.5	Very high	97.6	Very high	20 Å²	20	9.9 Å²	9.9	14%	0.14	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.3	175.9	-60.8	0	0	0	0	110.9	L223 F224 L250 E251 N252	L223-S227 CarbonylContact C-O 3.58Å; L223-S227 WeakPolarHBondContact CA-O 3.42Å; F224-S227 PolarHBondContact N-O 2.73Å; F224-S227 PolarHBondContact O-N 3.19Å; S227-L250 CarbonylContact C-O 3.6Å; S227-L250 WeakPolarHBondContact CA-O 3.26Å; S227-E251 WeakPolarHBondContact OG-CA 3.06Å; S227-N252 PolarHBondContact OG-N 3.28Å; S227-N252 VanDerWaalsContact OG-N 3.16Å
228	V	98.7	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.9	-178.7	59.8	0	0	0	0	111.5	V221 Y222 L223 I230 L250 V256	V221-V228 HydrophobicContact CG1-CG2 3.8Å; Y222-V228 CarbonylContact O-C 3.59Å; Y222-V228 WeakPolarHBondContact O-CA 3.36Å; L223-V228 HydrophobicContact CB-CB 4.36Å; L223-V228 HydrophobicContact CB-CG2 4.27Å; V228-I230 HydrophobicContact CG2-CD1 3.77Å; V228-I230 HydrophobicContact CG2-CG1 4.37Å; V228-L250 HydrophobicContact CG1-CB 3.95Å; V228-L250 HydrophobicContact CG1-CD1 4.16Å; V228-L250 PolarHBondContact N-O 2.98Å; V228-L250 PolarHBondContact O-N 3.28Å; V228-V256 HydrophobicContact CG1-CG1 4.1Å
229	I	98.8	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125	169.6	-57.2	174	0	0	0	108.8	F104 A107 M108 Y222 F224 V248 L249	F104-I229 HydrophobicContact CD2-CG2 3.97Å; F104-I229 HydrophobicContact CE2-CG2 3.87Å; A107-I229 HydrophobicContact CB-CD1 3.95Å; M108-I229 HydrophobicContact CG-CD1 3.9Å; Y222-I229 HydrophobicContact CD2-CB 4.42Å; Y222-I229 HydrophobicContact CD2-CG2 4.41Å; Y222-I229 PolarHBondContact N-O 3.21Å; Y222-I229 PolarHBondContact O-N 2.99Å; F224-I229 HydrophobicContact CE2-CD1 3.93Å; F224-I229 HydrophobicContact CE2-CG1 4.29Å; I229-V248 CarbonylContact C-O 3.52Å; I229-V248 VanDerWaalsContact CA-O 3.31Å; I229-V248 WeakPolarHBondContact CA-O 3.16Å; I229-L249 HydrophobicContact CD1-CD1 4.33Å; I229-L249 HydrophobicContact CG1-CB 4.25Å; I229-L249 HydrophobicContact CG1-CD1 3.58Å; I229-L249 HydrophobicContact CG1-CG 4.49Å
230	I	98.6	Very high	97.7	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.9	171.6	-54.8	-60.4	0	0	0	109	V221 V228 V248 L250 F260 I471 I489	V221-I230 HydrophobicContact CB-CD1 4.46Å; V221-I230 HydrophobicContact CG1-CD1 4.39Å; V221-I230 HydrophobicContact CG2-CD1 3.77Å; V228-I230 HydrophobicContact CG2-CD1 3.77Å; V228-I230 HydrophobicContact CG2-CG1 4.37Å; I230-V248 PolarHBondContact N-O 3.37Å; I230-V248 PolarHBondContact O-N 3.02Å; I230-L250 HydrophobicContact CG1-CD1 4.27Å; I230-F260 HydrophobicContact CD1-CD2 4.18Å; I230-F260 HydrophobicContact CD1-CE1 4.32Å; I230-F260 HydrophobicContact CD1-CE2 3.92Å; I230-F260 HydrophobicContact CD1-CZ 4Å; I230-I471 HydrophobicContact CG2-CG2 4.46Å; I230-I471 WeakPolarHBondContact CG2-O 3.15Å; I230-I489 HydrophobicContact CB-CD1 4.24Å; I230-I489 HydrophobicContact CG1-CD1 3.94Å; I230-I489 HydrophobicContact CG1-CG1 4.42Å; I230-I489 HydrophobicContact CG1-CG2 4.38Å; I230-I489 HydrophobicContact CG2-CG1 4.24Å
231	S	97.6	Very high	97.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	169.4	-177	-177	0	0	0	0	112.3	K220 A233 R246 Y247 G472	K220-S231 WeakPolarHBondContact CB-O 3.48Å; S231-A233 VanDerWaalsContact OG-CB 3.3Å; S231-A233 WeakPolarHBondContact OG-CB 3.46Å; S231-A233 PolarHBondContact OG-N 3.11Å; S231-R246 WeakPolarHBondContact CA-O 3.02Å; S231-R246 VanDerWaalsContact CB-O 3.27Å; S231-R246 WeakPolarHBondContact CB-O 3.33Å; S231-R246 PolarHBondContact OG-O 3.42Å; S231-Y247 WeakPolarHBondContact OG-CD1 3.26Å; S231-Y247 WeakPolarHBondContact OG-CE1 3.45Å; S231-G472 CarbonylContact O-C 3.54Å
232	G	95.5	Very high	97.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	-86.5	-13.6	162.3	0	0	0	0	0	114	K220 D245	K220-G232 PolarHBondContact NZ-O 3.43Å; G232-D245 VanDerWaalsContact C-OD2 3.25Å; G232-D245 WeakPolarHBondContact CA-OD1 3.46Å; G232-D245 PolarHBondContact N-OD1 3.47Å
233	A	97	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.			trans	-75.5	139.8	-168.7	0	0	0	0	0	113.8	F104 K220 Y222 S231 Y239 D245 Y247	F104-A233 HydrophobicContact CE1-CB 3.94Å; F104-A233 HydrophobicContact CZ-CB 4.3Å; K220-A233 WeakPolarHBondContact CG-O 3.38Å; Y222-A233 PolarHBondContact OH-O 3.29Å; S231-A233 VanDerWaalsContact OG-CB 3.3Å; S231-A233 WeakPolarHBondContact OG-CB 3.46Å; S231-A233 PolarHBondContact OG-N 3.11Å; A233-Y239 HydrophobicContact CB-CD1 3.36Å; A233-Y239 HydrophobicContact CB-CE1 3.93Å; A233-Y239 HydrophobicContact CB-CG 3.83Å; A233-D245 HydrophobicContact CB-CB 4.17Å; A233-D245 PolarHBondContact N-OD2 3.18Å; A233-Y247 HydrophobicContact CB-CD1 4.35Å; A233-Y247 HydrophobicContact CB-CE1 3.53Å
234	N	97.2	Very high	97.4	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.043	10%	0.102	C	C	.	.			trans	-88.4	164.7	170.7	-60.2	-41	0	0	0	110.4	L124 Y125 K220 S236 Y239	L124-N234 WeakPolarHBondContact CB-OD1 3.18Å; Y125-N234 HydrophobicContact CE1-CB 4.18Å; Y125-N234 WeakPolarHBondContact CE1-ND2 3.36Å; K220-N234 WeakPolarHBondContact CE-OD1 3.5Å; K220-N234 PolarHBondContact NZ-OD1 3.34Å; N234-S236 VanDerWaalsContact C-N 3.35Å; N234-S236 PolarHBondContact O-N 3.23Å; N234-Y239 HydrophobicContact CB-CD2 3.77Å; N234-Y239 HydrophobicContact CB-CE2 3.68Å; N234-Y239 WeakPolarHBondContact O-CB 3.39Å; N234-Y239 WeakPolarHBondContact O-CD2 3.35Å
235	L	97.8	Very high	97.4	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-76.8	82.3	171.6	-58.4	178.2	0	0	0	110.8	M108 S123 L126 G127 L135 Y222 F240	M108-L235 HydrophobicContact CE-CD2 4.21Å; M108-L235 HydrophobicContact SD-CD2 3.69Å; S123-L235 PolarHBondContact OG-N 2.85Å; L126-L235 CarbonylContact C-O 3.57Å; L126-L235 HydrophobicContact CD1-CB 3.54Å; L126-L235 HydrophobicContact CD1-CD1 3.96Å; L126-L235 HydrophobicContact CD1-CG 4.39Å; G127-L235 PolarHBondContact N-O 2.94Å; L135-L235 HydrophobicContact CD2-CD1 4.36Å; L135-L235 HydrophobicContact CD2-CD2 3.89Å; Y222-L235 HydrophobicContact CD1-CD2 4.01Å; Y222-L235 HydrophobicContact CE1-CD1 3.95Å; Y222-L235 HydrophobicContact CE1-CD2 3.39Å; Y222-L235 HydrophobicContact CE1-CG 3.61Å; L235-F240 HydrophobicContact CB-CZ 4.14Å; L235-F240 HydrophobicContact CD2-CE1 4.28Å; L235-F240 HydrophobicContact CD2-CZ 4.1Å
236	S	96.7	Very high	97.5	Very high	8 Å²	8	17.2 Å²	17.2	6%	0.056	10%	0.095	C	C	.	.	S	Bend	trans	-153.4	157	173.1	69.1	0	0	0	0	113.6	Y125 E132 N234 S238 Y239 F240	Y125-S236 PolarHBondContact OH-OG 3.43Å; E132-S236 WeakPolarHBondContact OE1-CA 3.47Å; E132-S236 WeakPolarHBondContact OE1-CB 3.36Å; N234-S236 VanDerWaalsContact C-N 3.35Å; N234-S236 PolarHBondContact O-N 3.23Å; S236-S238 VanDerWaalsContact C-N 3.32Å; S236-S238 PolarHBondContact O-N 3.27Å; S236-S238 VanDerWaalsContact O-N 3.1Å; S236-Y239 WeakPolarHBondContact O-CA 3.29Å; S236-Y239 WeakPolarHBondContact O-CB 3.33Å; S236-Y239 PolarHBondContact O-N 2.87Å; S236-Y239 WeakPolarHBondContact OG-CD2 3.33Å; S236-F240 PolarHBondContact O-N 3.49Å
237	D	96.5	Very high	97.5	Very high	74 Å²	74	15.6 Å²	15.6	40%	0.396	9%	0.086	S	C	.	.	H	α-helix	trans	-40.9	-51.9	-177.7	176.6	86.5	0	0	0	114	L131 E132 Y239 F240 T241	L131-D237 WeakPolarHBondContact CD1-OD1 3.22Å; E132-D237 PolarHBondContact OE1-N 3.17Å; D237-Y239 VanDerWaalsContact C-N 3.27Å; D237-Y239 PolarHBondContact O-N 2.9Å; D237-F240 CarbonylContact O-C 3.51Å; D237-F240 WeakPolarHBondContact O-CA 3.37Å; D237-F240 PolarHBondContact O-N 2.79Å; D237-T241 PolarHBondContact O-N 2.83Å; D237-T241 PolarHBondContact O-OG1 3.14Å
238	S	95.7	Very high	97.5	Very high	33 Å²	33	14.6 Å²	14.6	23%	0.231	8%	0.08	C	C	.	.	H	α-helix	trans	-59.6	-35.8	180	63.1	0	0	0	0	113.6	S236 F240 T241 N242 R243	S236-S238 VanDerWaalsContact C-N 3.32Å; S236-S238 PolarHBondContact O-N 3.27Å; S236-S238 VanDerWaalsContact O-N 3.1Å; S238-F240 VanDerWaalsContact C-N 3.25Å; S238-F240 PolarHBondContact O-N 3.44Å; S238-T241 PolarHBondContact O-N 3.15Å; S238-N242 CarbonylContact O-C 3.5Å; S238-N242 PolarHBondContact O-N 2.79Å; S238-R243 WeakPolarHBondContact O-CB 3.29Å; S238-R243 PolarHBondContact O-N 3Å
239	Y	97.6	Very high	97.5	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.02	8%	0.083	C	C	.	.	H	α-helix	trans	-77.6	-9.9	176.5	-77.1	-70.3	0	0	0	113.5	P101 A233 N234 S236 D237 R243 D245 H452	P101-Y239 WeakPolarHBondContact CB-O 3.5Å; A233-Y239 HydrophobicContact CB-CD1 3.36Å; A233-Y239 HydrophobicContact CB-CE1 3.93Å; A233-Y239 HydrophobicContact CB-CG 3.83Å; N234-Y239 HydrophobicContact CB-CD2 3.77Å; N234-Y239 HydrophobicContact CB-CE2 3.68Å; N234-Y239 WeakPolarHBondContact O-CB 3.39Å; N234-Y239 WeakPolarHBondContact O-CD2 3.35Å; S236-Y239 WeakPolarHBondContact O-CA 3.29Å; S236-Y239 WeakPolarHBondContact O-CB 3.33Å; S236-Y239 PolarHBondContact O-N 2.87Å; S236-Y239 WeakPolarHBondContact OG-CD2 3.33Å; D237-Y239 VanDerWaalsContact C-N 3.27Å; D237-Y239 PolarHBondContact O-N 2.9Å; Y239-R243 HydrophobicContact CD1-CB 4.16Å; Y239-R243 HydrophobicContact CD1-CG 3.86Å; Y239-R243 HydrophobicContact CE1-CB 4.5Å; Y239-R243 HydrophobicContact CE1-CG 3.71Å; Y239-R243 VanDerWaalsContact CE1-NE 3.35Å; Y239-R243 VanDerWaalsContact CZ-CD 3.42Å; Y239-R243 PolarHBondContact OH-NE 3.43Å; Y239-R243 PolarHBondContact OH-NH2 3.2Å; Y239-D245 HydrophobicContact CD1-CB 4.39Å; Y239-D245 HydrophobicContact CE1-CB 4.34Å; Y239-D245 WeakPolarHBondContact CE1-OD2 3.17Å; Y239-H452 HydrophobicContact CE1-CB 4.34Å; Y239-H452 AromaticContact CE1-ND1 3.86Å; Y239-H452 AromaticContact CZ-ND1 3.85Å; Y239-H452 PolarHBondContact OH-CE1 2.63Å; Y239-H452 PolarHBondContact OH-ND1 3.12Å
240	F	98.1	Very high	97.5	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-99.7	-11.5	173.4	-52.9	-26.7	0	0	0	111.9	P101 F104 Y105 M108 L131 E132 L135 L235 S236 D237 S238	P101-F240 CarbonylContact C-O 3.58Å; P101-F240 VanDerWaalsContact CB-C 3.46Å; F104-F240 HydrophobicContact CD1-CD1 4.21Å; F104-F240 HydrophobicContact CD1-CE1 4.48Å; F104-F240 HydrophobicContact CE1-CD1 4.04Å; F104-F240 AromaticContact CE1-CE1 3.87Å; F104-F240 HydrophobicContact CE1-CE1 3.87Å; Y105-F240 HydrophobicContact CD2-CB 4.06Å; Y105-F240 AromaticContact CD2-CD1 3.86Å; Y105-F240 HydrophobicContact CD2-CD1 3.86Å; Y105-F240 AromaticContact CD2-CD2 3.69Å; Y105-F240 HydrophobicContact CD2-CD2 3.69Å; Y105-F240 HydrophobicContact CD2-CE1 4.22Å; Y105-F240 AromaticContact CD2-CE2 3.98Å; Y105-F240 HydrophobicContact CD2-CE2 3.98Å; Y105-F240 AromaticContact CD2-CG 3.6Å; Y105-F240 HydrophobicContact CD2-CG 3.6Å; Y105-F240 HydrophobicContact CD2-CZ 4.24Å; Y105-F240 AromaticContact CE2-CD2 3.81Å; Y105-F240 HydrophobicContact CE2-CD2 3.81Å; Y105-F240 AromaticContact CE2-CE2 3.94Å; Y105-F240 HydrophobicContact CE2-CE2 3.94Å; Y105-F240 HydrophobicContact CE2-CG 4.19Å; Y105-F240 HydrophobicContact CG-CB 3.99Å; Y105-F240 HydrophobicContact CG-CD1 4.37Å; Y105-F240 HydrophobicContact CG-CD2 4.45Å; Y105-F240 HydrophobicContact CG-CG 4.03Å; M108-F240 HydrophobicContact CE-CD1 4.06Å; M108-F240 HydrophobicContact CE-CE1 3.52Å; M108-F240 HydrophobicContact CE-CZ 4.15Å; L131-F240 HydrophobicContact CB-CD2 3.67Å; L131-F240 HydrophobicContact CB-CE2 4.3Å; L131-F240 HydrophobicContact CD1-CB 3.87Å; L131-F240 HydrophobicContact CD1-CD2 4.25Å; E132-F240 HydrophobicContact CG-CE2 4.01Å; L135-F240 HydrophobicContact CD2-CZ 4.37Å; L235-F240 HydrophobicContact CB-CZ 4.14Å; L235-F240 HydrophobicContact CD2-CE1 4.28Å; L235-F240 HydrophobicContact CD2-CZ 4.1Å; S236-F240 PolarHBondContact O-N 3.49Å; D237-F240 CarbonylContact O-C 3.51Å; D237-F240 WeakPolarHBondContact O-CA 3.37Å; D237-F240 PolarHBondContact O-N 2.79Å; S238-F240 VanDerWaalsContact C-N 3.25Å; S238-F240 PolarHBondContact O-N 3.44Å
241	T	97.2	Very high	97.5	Very high	54 Å²	54	18.3 Å²	18.3	33%	0.331	10%	0.097	S	C	.	.	H	α-helix	trans	-124.5	-73.1	-172.5	57.7	0	0	0	0	112.9	L131 D237 S238 W449	L131-T241 HydrophobicContact CD1-CG2 3.62Å; D237-T241 PolarHBondContact O-N 2.83Å; D237-T241 PolarHBondContact O-OG1 3.14Å; S238-T241 PolarHBondContact O-N 3.15Å; T241-W449 WeakPolarHBondContact O-CH2 3.44Å
242	N	96.8	Very high	97.4	Very high	57 Å²	57	23.7 Å²	23.7	31%	0.305	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	28.4	-163.5	70.4	-22	0	0	0	115.1	S238 Q448 W449 T450	S238-N242 CarbonylContact O-C 3.5Å; S238-N242 PolarHBondContact O-N 2.79Å; N242-Q448 PolarHBondContact ND2-O 3.45Å; N242-W449 VanDerWaalsContact CA-CE3 3.5Å; N242-W449 HydrophobicContact CB-CD2 3.85Å; N242-W449 HydrophobicContact CB-CE3 4.25Å; N242-W449 HydrophobicContact CB-CG 4.15Å; N242-W449 HydrophobicContact CB-CZ2 4.19Å; N242-W449 VanDerWaalsContact O-CA 3.22Å; N242-W449 WeakPolarHBondContact O-CA 3.2Å; N242-W449 WeakPolarHBondContact O-CB 3.33Å; N242-T450 PolarHBondContact O-N 2.89Å
243	R	97.2	Very high	97.5	Very high	38 Å²	38	23.9 Å²	23.9	14%	0.143	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.7	170.7	-174.1	163.5	-176.2	114.6	-6.4	110.1	P101 S238 Y239 D245 Y247 T450 H452	P101-R243 WeakPolarHBondContact CG-O 3.36Å; S238-R243 WeakPolarHBondContact O-CB 3.29Å; S238-R243 PolarHBondContact O-N 3Å; Y239-R243 HydrophobicContact CD1-CB 4.16Å; Y239-R243 HydrophobicContact CD1-CG 3.86Å; Y239-R243 HydrophobicContact CE1-CB 4.5Å; Y239-R243 HydrophobicContact CE1-CG 3.71Å; Y239-R243 VanDerWaalsContact CE1-NE 3.35Å; Y239-R243 VanDerWaalsContact CZ-CD 3.42Å; Y239-R243 PolarHBondContact OH-NE 3.43Å; Y239-R243 PolarHBondContact OH-NH2 3.2Å; R243-D245 PolarHBondContact O-N 3.42Å; R243-Y247 PolarHBondContact O-OH 2.97Å; R243-T450 CarbonylContact C-O 3.55Å; R243-T450 WeakPolarHBondContact CA-O 3.49Å; R243-T450 WeakPolarHBondContact CB-OG1 3.13Å; R243-T450 WeakPolarHBondContact CD-OG1 3.46Å; R243-T450 VanDerWaalsContact CG-OG1 3.23Å; R243-T450 WeakPolarHBondContact CG-OG1 3.28Å; R243-T450 PolarHBondContact NH1-OG1 2.73Å; R243-H452 HydrophobicContact CG-CB 4.26Å; R243-H452 PolarHBondContact NH2-CD2 2.77Å
244	Q	97.4	Very high	97.4	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120	178.1	-172.6	67.6	58.4	0	0	109.8	T450 F451 H452 A453 L509	Q244-T450 PolarHBondContact N-O 3.25Å; Q244-F451 HydrophobicContact CB-CD2 4.07Å; Q244-F451 HydrophobicContact CG-CD2 4.2Å; Q244-F451 HydrophobicContact CG-CE2 4.35Å; Q244-H452 PolarHBondContact O-N 2.89Å; Q244-A453 PolarHBondContact O-N 3.35Å; Q244-L509 HydrophobicContact CG-CD2 3.5Å
245	D	97.9	Very high	97.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	16%	0.163	C	C	.	.			trans	-133.1	-172	169.5	-145.9	-52.3	0	0	0	107.8	G232 A233 Y239 R243 Y247 H452	G232-D245 VanDerWaalsContact C-OD2 3.25Å; G232-D245 WeakPolarHBondContact CA-OD1 3.46Å; G232-D245 PolarHBondContact N-OD1 3.47Å; A233-D245 HydrophobicContact CB-CB 4.17Å; A233-D245 PolarHBondContact N-OD2 3.18Å; Y239-D245 HydrophobicContact CD1-CB 4.39Å; Y239-D245 HydrophobicContact CE1-CB 4.34Å; Y239-D245 WeakPolarHBondContact CE1-OD2 3.17Å; R243-D245 PolarHBondContact O-N 3.42Å; D245-Y247 HydrophobicContact CB-CE1 4.15Å; D245-Y247 HydrophobicContact CB-CE2 4.35Å; D245-Y247 WeakPolarHBondContact O-CE2 3.45Å; D245-H452 IonicContact OD2-CE1 3.51Å; D245-H452 IonicContact OD2-CG 2.97Å; D245-H452 IonicContact OD2-ND1 3.49Å; D245-H452 PolarHBondContact OD2-ND1 3.33Å
246	R	98.3	Very high	97.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.162	C	C	.	.			trans	-112.2	147.7	174.4	-65.6	-179.7	62.5	-152.7	7.7	110.7	S231 A453 K454 W457 T469 L470 I471 E505 L509	S231-R246 WeakPolarHBondContact CA-O 3.02Å; S231-R246 VanDerWaalsContact CB-O 3.27Å; S231-R246 WeakPolarHBondContact CB-O 3.33Å; S231-R246 PolarHBondContact OG-O 3.42Å; R246-A453 HydrophobicContact CG-CB 3.9Å; R246-K454 WeakPolarHBondContact CD-O 3.39Å; R246-K454 PolarHBondContact NH1-O 2.88Å; R246-W457 VanDerWaalsContact CZ-CZ2 3.4Å; R246-T469 PolarHBondContact NH2-OG1 2.69Å; R246-L470 PolarHBondContact NH1-O 3.38Å; R246-I471 HydrophobicContact CB-CD1 3.72Å; R246-I471 HydrophobicContact CB-CG1 4.26Å; R246-E505 WeakPolarHBondContact CB-OE1 3.4Å; R246-E505 VanDerWaalsContact CG-OE1 3.24Å; R246-E505 WeakPolarHBondContact CG-OE1 3.42Å; R246-E505 IonicContact CZ-OE1 2.91Å; R246-E505 IonicContact CZ-OE2 3.62Å; R246-E505 VanDerWaalsContact NE-CD 3.3Å; R246-E505 IonicContact NE-OE1 3.67Å; R246-E505 PolarHBondContact NE-OE1 2.82Å; R246-E505 IonicContact NE-OE2 3.91Å; R246-E505 PolarHBondContact NE-OE2 3.41Å; R246-E505 VanDerWaalsContact NE-OE2 3.14Å; R246-E505 IonicContact NH2-OE1 3.75Å; R246-E505 IonicContact NH2-OE2 3.7Å; R246-E505 PolarHBondContact NH2-OE2 3.23Å; R246-L509 HydrophobicContact CG-CD1 4.24Å
247	Y	98.4	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	120.8	-172.1	-45.6	-84.2	0	0	0	109.6	L98 F104 S231 A233 R243 D245	L98-Y247 PolarHBondContact N-O 2.92Å; L98-Y247 WeakPolarHBondContact O-CD2 3.5Å; F104-Y247 HydrophobicContact CB-CD1 3.5Å; F104-Y247 HydrophobicContact CB-CD2 4.24Å; F104-Y247 HydrophobicContact CB-CE1 3.69Å; F104-Y247 HydrophobicContact CB-CE2 4.41Å; F104-Y247 HydrophobicContact CB-CG 3.8Å; F104-Y247 AromaticContact CD1-CD1 3.78Å; F104-Y247 HydrophobicContact CD1-CD1 3.78Å; F104-Y247 AromaticContact CD1-CE1 3.38Å; F104-Y247 HydrophobicContact CD1-CE1 3.38Å; F104-Y247 AromaticContact CD2-CD1 3.48Å; F104-Y247 HydrophobicContact CD2-CD1 3.48Å; F104-Y247 VanDerWaalsContact CD2-CD1 3.48Å; F104-Y247 HydrophobicContact CD2-CE1 4.01Å; F104-Y247 HydrophobicContact CD2-CG 4.28Å; F104-Y247 HydrophobicContact CE1-CD1 4.34Å; F104-Y247 AromaticContact CE1-CE1 3.95Å; F104-Y247 HydrophobicContact CE1-CE1 3.95Å; F104-Y247 HydrophobicContact CE2-CD1 4.1Å; F104-Y247 AromaticContact CG-CD1 3.28Å; F104-Y247 HydrophobicContact CG-CD1 3.28Å; F104-Y247 AromaticContact CG-CE1 3.41Å; F104-Y247 HydrophobicContact CG-CE1 3.41Å; F104-Y247 VanDerWaalsContact CG-CE1 3.41Å; F104-Y247 HydrophobicContact CG-CG 4.08Å; F104-Y247 HydrophobicContact CZ-CD1 4.49Å; F104-Y247 HydrophobicContact CZ-CE1 4.48Å; S231-Y247 WeakPolarHBondContact OG-CD1 3.26Å; S231-Y247 WeakPolarHBondContact OG-CE1 3.45Å; A233-Y247 HydrophobicContact CB-CD1 4.35Å; A233-Y247 HydrophobicContact CB-CE1 3.53Å; R243-Y247 PolarHBondContact O-OH 2.97Å; D245-Y247 HydrophobicContact CB-CE1 4.15Å; D245-Y247 HydrophobicContact CB-CE2 4.35Å; D245-Y247 WeakPolarHBondContact O-CE2 3.45Å
248	V	98.8	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.1	176.3	174.8	0	0	0	0	109	I95 I97 I229 I230 L250 I471 I491	I95-V248 HydrophobicContact CG2-CG1 3.57Å; I97-V248 HydrophobicContact CD1-CG1 4.36Å; I97-V248 HydrophobicContact CD1-CG2 3.59Å; I229-V248 CarbonylContact C-O 3.52Å; I229-V248 VanDerWaalsContact CA-O 3.31Å; I229-V248 WeakPolarHBondContact CA-O 3.16Å; I230-V248 PolarHBondContact N-O 3.37Å; I230-V248 PolarHBondContact O-N 3.02Å; V248-L250 HydrophobicContact CG1-CD1 3.9Å; V248-L250 HydrophobicContact CG1-CG 4.48Å; V248-I471 HydrophobicContact CB-CD1 3.92Å; V248-I471 HydrophobicContact CB-CG2 4.38Å; V248-I471 HydrophobicContact CG2-CD1 3.36Å; V248-I471 HydrophobicContact CG2-CG2 4.12Å; V248-I491 HydrophobicContact CG1-CD1 3.96Å
249	L	98.8	Very high	97.6	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.073	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.5	173.3	172.1	64	0	0	0	108.6	I95 Q96 L98 I229 E251	I95-L249 WeakPolarHBondContact CA-O 3.46Å; Q96-L249 HydrophobicContact CB-CB 4.44Å; Q96-L249 PolarHBondContact N-O 3.25Å; Q96-L249 PolarHBondContact O-N 3.5Å; L98-L249 HydrophobicContact CD1-CB 4.28Å; L98-L249 HydrophobicContact CD2-CB 4.38Å; L98-L249 HydrophobicContact CG-CB 4.35Å; I229-L249 HydrophobicContact CD1-CD1 4.33Å; I229-L249 HydrophobicContact CG1-CB 4.25Å; I229-L249 HydrophobicContact CG1-CD1 3.58Å; I229-L249 HydrophobicContact CG1-CG 4.49Å; L249-E251 HydrophobicContact CD1-CG 4.12Å; L249-E251 HydrophobicContact CD2-CG 3.68Å; L249-E251 HydrophobicContact CG-CG 3.64Å
250	L	98.7	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.6	169.3	-62.7	91.7	0	0	0	107.2	I95 S227 V228 I230 V248 C253 V256 V338 I489	I95-L250 HydrophobicContact CD1-CD2 4.24Å; I95-L250 HydrophobicContact CG1-CD2 4.23Å; I95-L250 HydrophobicContact CG1-CG 4.16Å; S227-L250 CarbonylContact C-O 3.6Å; S227-L250 WeakPolarHBondContact CA-O 3.26Å; V228-L250 HydrophobicContact CG1-CB 3.95Å; V228-L250 HydrophobicContact CG1-CD1 4.16Å; V228-L250 PolarHBondContact N-O 2.98Å; V228-L250 PolarHBondContact O-N 3.28Å; I230-L250 HydrophobicContact CG1-CD1 4.27Å; V248-L250 HydrophobicContact CG1-CD1 3.9Å; V248-L250 HydrophobicContact CG1-CG 4.48Å; L250-C253 HydrophobicContact CB-CB 4.06Å; L250-V256 HydrophobicContact CD2-CG1 4.31Å; L250-V338 HydrophobicContact CD2-CG1 4.23Å; L250-V338 HydrophobicContact CD2-CG2 3.82Å; L250-I489 HydrophobicContact CD1-CD1 3.93Å
251	E	97.9	Very high	97.6	Very high	65 Å²	65	29.3 Å²	29.3	30%	0.304	14%	0.142	S	C	.	.			trans	-93.1	135.8	-177.1	-61	-165.4	104.6	0	0	111.6	H94 Q96 S227 L249 C253	H94-E251 WeakPolarHBondContact CB-O 3.14Å; H94-E251 PolarHBondContact ND1-O 3.29Å; H94-E251 PolarHBondContact O-N 3.47Å; Q96-E251 PolarHBondContact NE2-OE2 3.03Å; S227-E251 WeakPolarHBondContact OG-CA 3.06Å; L249-E251 HydrophobicContact CD1-CG 4.12Å; L249-E251 HydrophobicContact CD2-CG 3.68Å; L249-E251 HydrophobicContact CG-CG 3.64Å; E251-C253 PolarHBondContact O-N 3.3Å; E251-C253 PolarHBondContact O-SG 3.38Å; E251-C253 VanDerWaalsContact O-SG 3.36Å
252	N	96.3	Very high	97.7	Very high	113 Å²	113	28.6 Å²	28.6	60%	0.604	14%	0.136	S	C	*	.	S	Bend	trans	55.3	26.1	176.2	-52.9	-48	0	0	0	114.3	D226 S227 R254	D226-N252 CarbonylContact O-C 3.54Å; D226-N252 PolarHBondContact O-N 3.4Å; S227-N252 PolarHBondContact OG-N 3.28Å; S227-N252 VanDerWaalsContact OG-N 3.16Å; N252-R254 PolarHBondContact O-N 2.92Å
253	C	96.7	Very high	97.8	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.041	12%	0.121	C	C	.	.			trans	-92.6	67.5	178.8	-70.3	0	0	0	0	110.3	V90 D226 L250 E251 E255 V256 A257	V90-C253 HydrophobicContact CG1-CB 4.16Å; D226-C253 CarbonylContact O-C 3.6Å; D226-C253 PolarHBondContact O-N 3.41Å; L250-C253 HydrophobicContact CB-CB 4.06Å; E251-C253 PolarHBondContact O-N 3.3Å; E251-C253 PolarHBondContact O-SG 3.38Å; E251-C253 VanDerWaalsContact O-SG 3.36Å; C253-E255 VanDerWaalsContact C-N 3.34Å; C253-E255 PolarHBondContact O-N 3.49Å; C253-V256 HydrophobicContact CB-CB 4.18Å; C253-V256 HydrophobicContact CB-CG2 4.13Å; C253-V256 PolarHBondContact O-N 2.88Å; C253-V256 VanDerWaalsContact O-N 3.08Å; C253-A257 PolarHBondContact O-N 2.93Å
254	R	95.9	Very high	97.9	Very high	144 Å²	144	24.3 Å²	24.3	54%	0.543	12%	0.116	S	C	.	.	H	α-helix	trans	-50.6	-45.4	-171.1	177.6	171.4	175.7	178	0.7	114.4	D226 N252 V256 A257 D258	D226-R254 HydrophobicContact CB-CB 4.1Å; D226-R254 WeakPolarHBondContact OD1-CG 3.43Å; N252-R254 PolarHBondContact O-N 2.92Å; R254-V256 PolarHBondContact O-N 3Å; R254-A257 PolarHBondContact O-N 2.96Å; R254-D258 IonicContact NE-OD2 3.87Å; R254-D258 WeakPolarHBondContact O-CB 3.44Å; R254-D258 PolarHBondContact O-N 2.78Å
255	E	95.2	Very high	97.9	Very high	53 Å²	53	28.1 Å²	28.1	25%	0.248	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-39	-177.6	-63.2	-167.5	86.1	0	0	112.5	F88 C253 F259 Q319	F88-E255 HydrophobicContact CD1-CB 3.68Å; F88-E255 HydrophobicContact CE1-CB 4.04Å; F88-E255 HydrophobicContact CG-CB 4.24Å; C253-E255 VanDerWaalsContact C-N 3.34Å; C253-E255 PolarHBondContact O-N 3.49Å; E255-F259 PolarHBondContact O-N 2.91Å; E255-Q319 PolarHBondContact OE1-OE1 2.88Å; E255-Q319 PolarHBondContact OE2-NE2 2.86Å
256	V	97.6	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-44.6	175.1	-173.1	0	0	0	0	109.8	F88 V90 V228 L250 C253 R254 F259 F260 V338	F88-V256 HydrophobicContact CB-CG2 3.87Å; F88-V256 HydrophobicContact CD2-CB 4.45Å; F88-V256 HydrophobicContact CD2-CG2 3.84Å; F88-V256 HydrophobicContact CG-CG2 4.08Å; V90-V256 HydrophobicContact CG1-CG2 4.08Å; V228-V256 HydrophobicContact CG1-CG1 4.1Å; L250-V256 HydrophobicContact CD2-CG1 4.31Å; C253-V256 HydrophobicContact CB-CB 4.18Å; C253-V256 HydrophobicContact CB-CG2 4.13Å; C253-V256 PolarHBondContact O-N 2.88Å; C253-V256 VanDerWaalsContact O-N 3.08Å; R254-V256 PolarHBondContact O-N 3Å; V256-F259 PolarHBondContact O-N 3.49Å; V256-F260 HydrophobicContact CG1-CD2 3.89Å; V256-F260 HydrophobicContact CG1-CE2 3.92Å; V256-F260 WeakPolarHBondContact O-CD2 3.14Å; V256-F260 PolarHBondContact O-N 2.81Å; V256-F260 VanDerWaalsContact O-N 3.12Å; V256-V338 HydrophobicContact CG1-CG1 4.14Å; V256-V338 HydrophobicContact CG2-CB 4.23Å; V256-V338 HydrophobicContact CG2-CG1 4.18Å
257	A	98.3	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-45.8	177.1	0	0	0	0	0	111.7	L223 C253 R254 F259 F260 S261	L223-A257 HydrophobicContact CD1-CB 3.69Å; L223-A257 WeakPolarHBondContact CD1-O 3.32Å; L223-A257 HydrophobicContact CG-CB 4.31Å; C253-A257 PolarHBondContact O-N 2.93Å; R254-A257 PolarHBondContact O-N 2.96Å; A257-F259 PolarHBondContact O-N 3.49Å; A257-F260 PolarHBondContact O-N 2.92Å; A257-S261 VanDerWaalsContact O-CB 3.28Å; A257-S261 WeakPolarHBondContact O-CB 3.32Å; A257-S261 PolarHBondContact O-N 2.82Å
258	D	97.9	Very high	97.9	Very high	36 Å²	36	28.1 Å²	28.1	19%	0.193	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-45.6	176.6	-78	-18.5	0	0	0	111.3	R118 R254 F260 S261 D262	R118-D258 IonicContact CZ-OD1 2.92Å; R118-D258 IonicContact NH1-OD1 3.04Å; R118-D258 PolarHBondContact NH1-OD1 2.94Å; R118-D258 IonicContact NH2-OD1 3.72Å; R118-D258 PolarHBondContact NH2-OD1 3.33Å; R254-D258 IonicContact NE-OD2 3.87Å; R254-D258 WeakPolarHBondContact O-CB 3.44Å; R254-D258 PolarHBondContact O-N 2.78Å; D258-F260 PolarHBondContact O-N 2.88Å; D258-S261 PolarHBondContact O-N 2.6Å; D258-D262 WeakPolarHBondContact O-CB 3.45Å; D258-D262 PolarHBondContact O-N 3.18Å
259	F	98.3	Very high	97.9	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.022	14%	0.137	C	C	.	.	H	α-helix	trans	-57.1	-48.9	176.4	174.9	-88.9	0	0	0	112.4	P86 F88 E255 V256 A257 D262 L263 V308 V309 A312 P340 V342	P86-F259 HydrophobicContact CG-CE2 4.11Å; F88-F259 HydrophobicContact CE2-CB 3.84Å; F88-F259 HydrophobicContact CE2-CD2 4.47Å; F88-F259 HydrophobicContact CE2-CG 4.1Å; F88-F259 HydrophobicContact CZ-CB 3.78Å; F88-F259 HydrophobicContact CZ-CD2 4.23Å; F88-F259 HydrophobicContact CZ-CG 4.18Å; E255-F259 PolarHBondContact O-N 2.91Å; V256-F259 PolarHBondContact O-N 3.49Å; A257-F259 PolarHBondContact O-N 3.49Å; F259-D262 PolarHBondContact O-N 2.8Å; F259-L263 HydrophobicContact CE1-CB 4.48Å; F259-L263 HydrophobicContact CE1-CD2 4.13Å; F259-L263 WeakPolarHBondContact O-CB 3.47Å; F259-L263 PolarHBondContact O-N 3.37Å; F259-V308 HydrophobicContact CD2-CG1 4.29Å; F259-V308 HydrophobicContact CE2-CG1 4.2Å; F259-V309 HydrophobicContact CE2-CG2 4.16Å; F259-V309 HydrophobicContact CZ-CG2 4.27Å; F259-A312 HydrophobicContact CD2-CB 3.7Å; F259-A312 HydrophobicContact CE2-CB 4.19Å; F259-P340 HydrophobicContact CD1-CB 3.54Å; F259-P340 HydrophobicContact CD1-CG 3.84Å; F259-P340 HydrophobicContact CD2-CG 4.19Å; F259-P340 HydrophobicContact CE1-CB 3.21Å; F259-P340 HydrophobicContact CE1-CG 3.72Å; F259-P340 HydrophobicContact CE2-CB 4.4Å; F259-P340 HydrophobicContact CE2-CG 4.03Å; F259-P340 HydrophobicContact CG-CB 4.3Å; F259-P340 HydrophobicContact CG-CG 4.1Å; F259-P340 HydrophobicContact CZ-CB 3.68Å; F259-P340 HydrophobicContact CZ-CG 3.79Å; F259-V342 HydrophobicContact CZ-CG2 4.22Å
260	F	98.6	Very high	97.8	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-73	-33.7	-177.5	-83.6	-65.8	0	0	0	112.8	V221 I230 V256 A257 D258 L263 V264 P340 A487 I489	V221-F260 HydrophobicContact CG1-CB 3.89Å; V221-F260 HydrophobicContact CG1-CD1 4.32Å; V221-F260 HydrophobicContact CG1-CG 4.21Å; V221-F260 HydrophobicContact CG2-CD1 3.7Å; V221-F260 HydrophobicContact CG2-CE1 4.05Å; V221-F260 HydrophobicContact CG2-CG 4.32Å; I230-F260 HydrophobicContact CD1-CD2 4.18Å; I230-F260 HydrophobicContact CD1-CE1 4.32Å; I230-F260 HydrophobicContact CD1-CE2 3.92Å; I230-F260 HydrophobicContact CD1-CZ 4Å; V256-F260 HydrophobicContact CG1-CD2 3.89Å; V256-F260 HydrophobicContact CG1-CE2 3.92Å; V256-F260 WeakPolarHBondContact O-CD2 3.14Å; V256-F260 PolarHBondContact O-N 2.81Å; V256-F260 VanDerWaalsContact O-N 3.12Å; A257-F260 PolarHBondContact O-N 2.92Å; D258-F260 PolarHBondContact O-N 2.88Å; F260-L263 HydrophobicContact CD1-CD2 4.12Å; F260-L263 HydrophobicContact CE1-CD2 4.29Å; F260-L263 PolarHBondContact O-N 2.82Å; F260-V264 WeakPolarHBondContact O-CB 3.37Å; F260-V264 VanDerWaalsContact O-CG2 3.28Å; F260-V264 WeakPolarHBondContact O-CG2 3.31Å; F260-V264 PolarHBondContact O-N 3.47Å; F260-P340 HydrophobicContact CE2-CB 4.33Å; F260-P340 HydrophobicContact CZ-CB 4.05Å; F260-A487 HydrophobicContact CE1-CB 4.14Å; F260-I489 HydrophobicContact CE2-CG2 3.57Å; F260-I489 HydrophobicContact CZ-CG2 3.47Å; F260-I489 VanDerWaalsContact CZ-CG2 3.47Å
261	S	98.5	Very high	97.7	Very high	13 Å²	13	28.2 Å²	28.2	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-51.2	169.8	-175.8	0	0	0	0	110.5	R118 A257 D258 L263 V264 E265	R118-S261 PolarHBondContact NH1-OG 2.59Å; A257-S261 VanDerWaalsContact O-CB 3.28Å; A257-S261 WeakPolarHBondContact O-CB 3.32Å; A257-S261 PolarHBondContact O-N 2.82Å; D258-S261 PolarHBondContact O-N 2.6Å; S261-L263 VanDerWaalsContact C-N 3.32Å; S261-L263 PolarHBondContact O-N 2.77Å; S261-V264 PolarHBondContact O-N 2.99Å; S261-E265 WeakPolarHBondContact O-CB 3.27Å; S261-E265 PolarHBondContact O-N 3.39Å
262	D	98.6	Very high	97.7	Very high	39 Å²	39	25.2 Å²	25.2	21%	0.209	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-38.8	178.8	-70.7	-10.2	0	0	0	111.1	D258 F259 A266 V308 R315	D258-D262 WeakPolarHBondContact O-CB 3.45Å; D258-D262 PolarHBondContact O-N 3.18Å; F259-D262 PolarHBondContact O-N 2.8Å; D262-A266 WeakPolarHBondContact O-CB 3Å; D262-A266 PolarHBondContact O-N 2.93Å; D262-V308 HydrophobicContact CB-CG1 3.7Å; D262-V308 HydrophobicContact CB-CG2 4.15Å; D262-R315 IonicContact OD2-NH1 3.51Å; D262-R315 PolarHBondContact OD2-NH1 3.46Å
263	L	98.7	Very high	97.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65	-47.3	176.4	179.5	66.3	0	0	0	111.9	I219 F259 F260 S261 E265 A266 V267 I305 V342 M344 A487	I219-L263 HydrophobicContact CD1-CD2 4.45Å; F259-L263 HydrophobicContact CE1-CB 4.48Å; F259-L263 HydrophobicContact CE1-CD2 4.13Å; F259-L263 WeakPolarHBondContact O-CB 3.47Å; F259-L263 PolarHBondContact O-N 3.37Å; F260-L263 HydrophobicContact CD1-CD2 4.12Å; F260-L263 HydrophobicContact CE1-CD2 4.29Å; F260-L263 PolarHBondContact O-N 2.82Å; S261-L263 VanDerWaalsContact C-N 3.32Å; S261-L263 PolarHBondContact O-N 2.77Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-A266 PolarHBondContact O-N 2.86Å; L263-V267 WeakPolarHBondContact O-CG2 3.32Å; L263-V267 PolarHBondContact O-N 2.95Å; L263-I305 HydrophobicContact CD1-CD1 3.82Å; L263-I305 HydrophobicContact CD1-CG2 3.94Å; L263-V342 HydrophobicContact CD1-CG2 4.23Å; L263-V342 HydrophobicContact CD2-CG2 3.9Å; L263-M344 HydrophobicContact CD1-CE 4.23Å; L263-A487 HydrophobicContact CD2-CB 4.26Å
264	V	98.7	Very high	97.9	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-40.3	179.4	170.9	0	0	0	0	110.6	V120 A122 L160 F260 S261 V267 G268	V120-V264 HydrophobicContact CG1-CB 3.84Å; V120-V264 HydrophobicContact CG1-CG1 3.5Å; V120-V264 HydrophobicContact CG1-CG2 4.18Å; A122-V264 HydrophobicContact CB-CG1 4.35Å; A122-V264 HydrophobicContact CB-CG2 3.78Å; L160-V264 HydrophobicContact CB-CG1 3.78Å; L160-V264 HydrophobicContact CD2-CG1 3.95Å; F260-V264 WeakPolarHBondContact O-CB 3.37Å; F260-V264 VanDerWaalsContact O-CG2 3.28Å; F260-V264 WeakPolarHBondContact O-CG2 3.31Å; F260-V264 PolarHBondContact O-N 3.47Å; S261-V264 PolarHBondContact O-N 2.99Å; V264-V267 PolarHBondContact O-N 3.05Å; V264-G268 PolarHBondContact O-N 2.85Å
265	E	98.3	Very high	98	Very high	93 Å²	93	16.7 Å²	16.7	44%	0.435	8%	0.083	S	C	.	.	H	α-helix	trans	-62.6	-46.6	174.2	-174.8	169.4	-167.4	0	0	111.4	S261 L263 V267 G268 D269	S261-E265 WeakPolarHBondContact O-CB 3.27Å; S261-E265 PolarHBondContact O-N 3.39Å; L263-E265 VanDerWaalsContact C-N 3.34Å; E265-V267 VanDerWaalsContact C-N 3.33Å; E265-V267 PolarHBondContact O-N 3.28Å; E265-G268 CarbonylContact O-C 3.57Å; E265-G268 VanDerWaalsContact O-CA 3.31Å; E265-G268 WeakPolarHBondContact O-CA 3.37Å; E265-G268 PolarHBondContact O-N 3.21Å; E265-D269 PolarHBondContact O-N 3.42Å
266	A	98.3	Very high	98	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-43.1	176.2	0	0	0	0	0	112.5	D262 L263 G268 D269 F270 R304 I305 V308	D262-A266 WeakPolarHBondContact O-CB 3Å; D262-A266 PolarHBondContact O-N 2.93Å; L263-A266 PolarHBondContact O-N 2.86Å; A266-G268 VanDerWaalsContact C-N 3.34Å; A266-D269 PolarHBondContact O-N 3.37Å; A266-F270 WeakPolarHBondContact O-CD1 3.44Å; A266-F270 WeakPolarHBondContact O-CE1 3.39Å; A266-R304 HydrophobicContact CB-CG 3.76Å; A266-I305 HydrophobicContact CB-CD1 3.8Å; A266-V308 HydrophobicContact CB-CG2 3.76Å
267	V	98.4	Very high	98	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-39.3	172.9	-179.9	0	0	0	0	111.3	L160 Y193 I219 L263 V264 E265 D269 F270 S271 I305 M344 L485	L160-V267 HydrophobicContact CD1-CG1 4.03Å; L160-V267 HydrophobicContact CD2-CB 3.76Å; L160-V267 HydrophobicContact CD2-CG1 3.63Å; L160-V267 HydrophobicContact CG-CG1 4.45Å; Y193-V267 HydrophobicContact CD2-CG1 4.29Å; I219-V267 HydrophobicContact CD1-CG2 4.29Å; L263-V267 WeakPolarHBondContact O-CG2 3.32Å; L263-V267 PolarHBondContact O-N 2.95Å; V264-V267 PolarHBondContact O-N 3.05Å; E265-V267 VanDerWaalsContact C-N 3.33Å; E265-V267 PolarHBondContact O-N 3.28Å; V267-D269 VanDerWaalsContact C-N 3.3Å; V267-D269 PolarHBondContact O-N 2.64Å; V267-F270 VanDerWaalsContact CA-CZ 3.49Å; V267-F270 HydrophobicContact CB-CE2 4.49Å; V267-F270 HydrophobicContact CB-CZ 4.03Å; V267-F270 HydrophobicContact CG1-CE2 3.99Å; V267-F270 HydrophobicContact CG1-CZ 3.98Å; V267-F270 HydrophobicContact CG2-CZ 4.02Å; V267-S271 WeakPolarHBondContact O-CB 3.16Å; V267-S271 PolarHBondContact O-N 2.64Å; V267-S271 PolarHBondContact O-OG 2.97Å; V267-I305 HydrophobicContact CG2-CD1 3.52Å; V267-M344 HydrophobicContact CG2-CE 3.81Å; V267-L485 HydrophobicContact CG1-CD2 4.12Å
268	G	98.1	Very high	97.9	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-38.9	175.4	0	0	0	0	0	112.9	R189 S191 V264 E265 A266 F270 S271 Q273	R189-G268 PolarHBondContact NH2-O 3.03Å; S191-G268 WeakPolarHBondContact OG-CA 3.35Å; S191-G268 PolarHBondContact OG-O 3.16Å; V264-G268 PolarHBondContact O-N 2.85Å; E265-G268 CarbonylContact O-C 3.57Å; E265-G268 VanDerWaalsContact O-CA 3.31Å; E265-G268 WeakPolarHBondContact O-CA 3.37Å; E265-G268 PolarHBondContact O-N 3.21Å; A266-G268 VanDerWaalsContact C-N 3.34Å; G268-F270 PolarHBondContact O-N 3.01Å; G268-S271 WeakPolarHBondContact O-CB 3.33Å; G268-S271 PolarHBondContact O-N 2.79Å; G268-Q273 PolarHBondContact O-NE2 3.13Å
269	D	97.3	Very high	97.8	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-41.6	-174.1	-67.6	-15.4	0	0	0	112.3	R189 E265 A266 V267 S271 M286 R304	R189-D269 IonicContact CZ-OD1 2.79Å; R189-D269 IonicContact NH1-OD1 2.69Å; R189-D269 PolarHBondContact NH1-OD1 3.25Å; R189-D269 IonicContact NH2-OD1 2.76Å; R189-D269 PolarHBondContact NH2-OD1 2.7Å; E265-D269 PolarHBondContact O-N 3.42Å; A266-D269 PolarHBondContact O-N 3.37Å; V267-D269 VanDerWaalsContact C-N 3.3Å; V267-D269 PolarHBondContact O-N 2.64Å; D269-S271 VanDerWaalsContact C-N 3.3Å; D269-S271 PolarHBondContact O-N 2.77Å; D269-M286 HydrophobicContact CB-CE 4.32Å; D269-M286 WeakPolarHBondContact O-CG 3.21Å; D269-R304 IonicContact OD2-CZ 2.69Å; D269-R304 VanDerWaalsContact OD2-CZ 3.28Å; D269-R304 IonicContact OD2-NE 3.53Å; D269-R304 PolarHBondContact OD2-NE 2.95Å; D269-R304 IonicContact OD2-NH2 3.93Å; D269-R304 PolarHBondContact OD2-NH2 3.26Å
270	F	96.9	Very high	97.7	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.3	174.8	60.4	-104.5	0	0	0	113.8	Y193 A266 V267 G268 F297 A301 I305 L347	Y193-F270 HydrophobicContact CD2-CD2 4.26Å; Y193-F270 AromaticContact CD2-CE2 3.82Å; Y193-F270 HydrophobicContact CD2-CE2 3.82Å; Y193-F270 HydrophobicContact CE2-CD2 4.26Å; Y193-F270 AromaticContact CE2-CE2 3.72Å; Y193-F270 HydrophobicContact CE2-CE2 3.72Å; A266-F270 WeakPolarHBondContact O-CD1 3.44Å; A266-F270 WeakPolarHBondContact O-CE1 3.39Å; V267-F270 VanDerWaalsContact CA-CZ 3.49Å; V267-F270 HydrophobicContact CB-CE2 4.49Å; V267-F270 HydrophobicContact CB-CZ 4.03Å; V267-F270 HydrophobicContact CG1-CE2 3.99Å; V267-F270 HydrophobicContact CG1-CZ 3.98Å; V267-F270 HydrophobicContact CG2-CZ 4.02Å; G268-F270 PolarHBondContact O-N 3.01Å; F270-F297 HydrophobicContact CB-CE2 4.13Å; F270-F297 HydrophobicContact CD2-CE2 4.18Å; F270-F297 AromaticContact CD2-CZ 3.77Å; F270-F297 HydrophobicContact CD2-CZ 3.77Å; F270-F297 HydrophobicContact CE2-CZ 4.44Å; F270-F297 WeakPolarHBondContact O-CE2 3.42Å; F270-A301 HydrophobicContact CB-CB 4.44Å; F270-A301 HydrophobicContact CD1-CB 3.69Å; F270-A301 HydrophobicContact CD2-CB 3.97Å; F270-A301 HydrophobicContact CE1-CB 3.74Å; F270-A301 HydrophobicContact CE2-CB 4.04Å; F270-A301 HydrophobicContact CG-CB 3.78Å; F270-A301 HydrophobicContact CZ-CB 3.91Å; F270-I305 HydrophobicContact CE1-CD1 3.92Å; F270-I305 HydrophobicContact CE1-CG1 3.92Å; F270-I305 HydrophobicContact CZ-CD1 4.17Å; F270-I305 HydrophobicContact CZ-CG1 4.21Å; F270-L347 HydrophobicContact CZ-CD1 4.24Å
271	S	98.1	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-99.8	161.5	177.2	-67.8	0	0	0	0	112.2	Y193 V267 G268 D269 Q273	Y193-S271 VanDerWaalsContact CA-OG 3.31Å; Y193-S271 WeakPolarHBondContact CA-OG 3.49Å; Y193-S271 WeakPolarHBondContact CB-OG 3.5Å; V267-S271 WeakPolarHBondContact O-CB 3.16Å; V267-S271 PolarHBondContact O-N 2.64Å; V267-S271 PolarHBondContact O-OG 2.97Å; G268-S271 WeakPolarHBondContact O-CB 3.33Å; G268-S271 PolarHBondContact O-N 2.79Å; D269-S271 VanDerWaalsContact C-N 3.3Å; D269-S271 PolarHBondContact O-N 2.77Å; S271-Q273 PolarHBondContact O-N 3.27Å; S271-Q273 PolarHBondContact O-NE2 3.31Å
272	L	98.2	Very high	97.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.4	174.4	-66	163.8	0	0	0	109.7	Y163 S191 L192 H194 V280 T281 M282 P289 Y290	Y163-L272 HydrophobicContact CD1-CD1 4.49Å; Y163-L272 HydrophobicContact CD2-CD1 3.61Å; Y163-L272 HydrophobicContact CE2-CD1 3.9Å; Y163-L272 HydrophobicContact CG-CD1 3.93Å; S191-L272 CarbonylContact C-O 3.48Å; L192-L272 HydrophobicContact CB-CB 4.25Å; L192-L272 WeakPolarHBondContact CB-O 3.46Å; L192-L272 PolarHBondContact N-O 2.91Å; L192-L272 WeakPolarHBondContact O-CB 3.2Å; L192-L272 PolarHBondContact O-N 2.86Å; H194-L272 HydrophobicContact CB-CD1 4.31Å; L272-V280 HydrophobicContact CB-CB 4.23Å; L272-V280 HydrophobicContact CD1-CG2 4.41Å; L272-V280 HydrophobicContact CD2-CG2 4.5Å; L272-T281 CarbonylContact C-O 3.42Å; L272-T281 WeakPolarHBondContact CA-O 3.41Å; L272-M282 HydrophobicContact CD2-CG 4.05Å; L272-M282 HydrophobicContact CD2-SD 3.65Å; L272-M282 HydrophobicContact CG-SD 4.17Å; L272-P289 HydrophobicContact CG-CG 4.47Å; L272-Y290 HydrophobicContact CD1-CE1 4.09Å
273	Q	98.1	Very high	97.2	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124	176.9	-53.8	-54.1	-66.2	0	0	109.7	S191 G268 S271 V280 T281 Q283	S191-Q273 PolarHBondContact OG-NE2 2.77Å; S191-Q273 PolarHBondContact OG-OE1 2.97Å; S191-Q273 VanDerWaalsContact OG-OE1 3.08Å; G268-Q273 PolarHBondContact O-NE2 3.13Å; S271-Q273 PolarHBondContact O-N 3.27Å; S271-Q273 PolarHBondContact O-NE2 3.31Å; Q273-V280 VanDerWaalsContact O-CA 3.32Å; Q273-V280 WeakPolarHBondContact O-CA 3.33Å; Q273-T281 PolarHBondContact N-O 3.41Å; Q273-T281 PolarHBondContact O-N 3.08Å; Q273-Q283 HydrophobicContact CG-CG 3.75Å
274	L	98.1	Very high	96.7	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.7	170.4	-178.7	65.1	0	0	0	109.2	R174 L181 V190 L192 V280	R174-L274 HydrophobicContact CB-CD1 4.27Å; R174-L274 HydrophobicContact CB-CD2 3.99Å; R174-L274 HydrophobicContact CG-CD1 4.28Å; R174-L274 HydrophobicContact CG-CD2 4.21Å; L181-L274 HydrophobicContact CD2-CB 4.16Å; L181-L274 HydrophobicContact CD2-CD2 3.96Å; L181-L274 HydrophobicContact CD2-CG 3.8Å; L181-L274 WeakPolarHBondContact CD2-O 3.5Å; V190-L274 HydrophobicContact CB-CB 3.98Å; V190-L274 HydrophobicContact CB-CD2 4.24Å; V190-L274 HydrophobicContact CG1-CB 4.07Å; V190-L274 HydrophobicContact CG1-CD2 4.03Å; V190-L274 PolarHBondContact O-N 3.21Å; L192-L274 HydrophobicContact CD1-CB 4.24Å; L274-V280 HydrophobicContact CD1-CG1 4.28Å
275	Q	97.6	Very high	96.2	Very high	62 Å²	62	43 Å²	43	29%	0.29	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-101.5	159.4	178.7	-61.8	-57.2	-44.3	0	0	111.4	D277 N278 S279 T281	Q275-D277 WeakPolarHBondContact CB-OD1 3.26Å; Q275-D277 PolarHBondContact O-N 3.04Å; Q275-D277 VanDerWaalsContact O-N 3.14Å; Q275-N278 WeakPolarHBondContact O-CA 3.34Å; Q275-N278 PolarHBondContact O-N 2.81Å; Q275-S279 WeakPolarHBondContact CB-OG 3.48Å; Q275-S279 PolarHBondContact N-O 2.88Å; Q275-T281 HydrophobicContact CG-CG2 4.08Å; Q275-T281 PolarHBondContact NE2-OG1 3.4Å
276	P	96.6	Very high	96	Very high	44 Å²	44	41.8 Å²	41.8	29%	0.286	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.8	178	-27	36.1	0	0	0	114.9	Q182 T185 N278	Q182-P276 HydrophobicContact CG-CB 4.02Å; Q182-P276 WeakPolarHBondContact CG-O 3.3Å; Q182-P276 PolarHBondContact NE2-O 3.22Å; T185-P276 HydrophobicContact CG2-CG 3.89Å; P276-N278 PolarHBondContact O-N 2.93Å
277	D	96.1	Very high	95.8	Very high	118 Å²	118	43.7 Å²	43.7	63%	0.631	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	9.9	174.9	71.6	-15.6	0	0	0	113.3	Q275 S279	Q275-D277 WeakPolarHBondContact CB-OD1 3.26Å; Q275-D277 PolarHBondContact O-N 3.04Å; Q275-D277 VanDerWaalsContact O-N 3.14Å; D277-S279 PolarHBondContact O-N 3.31Å; D277-S279 WeakPolarHBondContact OD1-CB 3.29Å; D277-S279 PolarHBondContact OD1-N 3.26Å; D277-S279 PolarHBondContact OD1-OG 3.3Å; D277-S279 PolarHBondContact OD2-OG 2.64Å
278	N	96	Very high	95.7	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	27%	0.265	S	S	.	.	S	Bend	trans	63.7	13.3	-173.3	-165.5	23.5	0	0	0	114.2	R174 L178 Q275 P276	R174-N278 PolarHBondContact NE-OD1 2.9Å; R174-N278 PolarHBondContact NH2-O 3.07Å; R174-N278 PolarHBondContact NH2-OD1 2.66Å; L178-N278 HydrophobicContact CD1-CB 4.14Å; L178-N278 HydrophobicContact CD2-CB 3.87Å; Q275-N278 WeakPolarHBondContact O-CA 3.34Å; Q275-N278 PolarHBondContact O-N 2.81Å; P276-N278 PolarHBondContact O-N 2.93Å
279	S	96.5	Very high	95.4	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	26%	0.264	S	S	.	.			trans	-76.4	169.4	166.2	75.2	0	0	0	0	111	Q275 D277	Q275-S279 WeakPolarHBondContact CB-OG 3.48Å; Q275-S279 PolarHBondContact N-O 2.88Å; D277-S279 PolarHBondContact O-N 3.31Å; D277-S279 WeakPolarHBondContact OD1-CB 3.29Å; D277-S279 PolarHBondContact OD1-N 3.26Å; D277-S279 PolarHBondContact OD1-OG 3.3Å; D277-S279 PolarHBondContact OD2-OG 2.64Å
280	V	96.8	Very high	95.1	Very high	36 Å²	36	46 Å²	46	22%	0.218	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.3	173.7	-64.5	0	0	0	0	110.4	Y163 L192 L272 Q273 L274	Y163-V280 HydrophobicContact CE2-CG1 4.11Å; Y163-V280 HydrophobicContact CE2-CG2 3.95Å; L192-V280 HydrophobicContact CD1-CG1 3.82Å; L272-V280 HydrophobicContact CB-CB 4.23Å; L272-V280 HydrophobicContact CD1-CG2 4.41Å; L272-V280 HydrophobicContact CD2-CG2 4.5Å; Q273-V280 VanDerWaalsContact O-CA 3.32Å; Q273-V280 WeakPolarHBondContact O-CA 3.33Å; L274-V280 HydrophobicContact CD1-CG1 4.28Å
281	T	96.1	Very high	94.9	Very high	62 Å²	62	53.2 Å²	53.2	38%	0.38	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.5	-178.2	57.7	0	0	0	0	110.5	L272 Q273 Q275	L272-T281 CarbonylContact C-O 3.42Å; L272-T281 WeakPolarHBondContact CA-O 3.41Å; Q273-T281 PolarHBondContact N-O 3.41Å; Q273-T281 PolarHBondContact O-N 3.08Å; Q275-T281 HydrophobicContact CG-CG2 4.08Å; Q275-T281 PolarHBondContact NE2-OG1 3.4Å
282	M	95.7	Very high	94.6	Very high	32 Å²	32	54.4 Å²	54.4	16%	0.158	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-88.2	153.2	167.3	-71.7	-63.2	-57.8	0	0	108.8	L272 M286 V287 H288 P289	L272-M282 HydrophobicContact CD2-CG 4.05Å; L272-M282 HydrophobicContact CD2-SD 3.65Å; L272-M282 HydrophobicContact CG-SD 4.17Å; M282-M286 HydrophobicContact CE-CB 3.59Å; M282-V287 WeakPolarHBondContact CE-O 3.34Å; M282-H288 HydrophobicContact CG-CB 4.24Å; M282-P289 WeakPolarHBondContact SD-CD 3.11Å; M282-P289 HydrophobicContact SD-CG 4.27Å
283	Q	92.1	Very high	94.5	Very high	64 Å²	64	58.1 Å²	58.1	30%	0.299	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-64.8	150.3	165.9	-67.2	-169.6	-11.2	0	0	110.8	Q273 G285 M286	Q273-Q283 HydrophobicContact CG-CG 3.75Å; Q283-G285 PolarHBondContact O-N 2.78Å; Q283-M286 HydrophobicContact CB-CG 4.03Å; Q283-M286 WeakPolarHBondContact O-CB 3.31Å; Q283-M286 PolarHBondContact O-N 3.3Å; Q283-M286 VanDerWaalsContact O-N 3.12Å
284	D	89.8	Confident	94.3	Very high	164 Å²	164	62.8 Å²	62.8	88%	0.877	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	135.8	179.2	-71.5	-23.8	0	0	0	111.2	M286	D284-M286 VanDerWaalsContact C-N 3.26Å; D284-M286 PolarHBondContact O-N 3.02Å
285	G	88.3	Confident	94.1	Very high	85 Å²	85	69 Å²	69	88%	0.876	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-6.3	-177.5	0	0	0	0	0	115.4	Q283	Q283-G285 PolarHBondContact O-N 2.78Å
286	M	93	Very high	94	Very high	68 Å²	68	70.4 Å²	70.4	34%	0.335	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-88.2	139.6	179.1	-64.6	-66.7	165.2	0	0	112.7	D269 M282 Q283 D284	D269-M286 HydrophobicContact CB-CE 4.32Å; D269-M286 WeakPolarHBondContact O-CG 3.21Å; M282-M286 HydrophobicContact CE-CB 3.59Å; Q283-M286 HydrophobicContact CB-CG 4.03Å; Q283-M286 WeakPolarHBondContact O-CB 3.31Å; Q283-M286 PolarHBondContact O-N 3.3Å; Q283-M286 VanDerWaalsContact O-N 3.12Å; D284-M286 VanDerWaalsContact C-N 3.26Å; D284-M286 PolarHBondContact O-N 3.02Å
287	V	94.3	Very high	94	Very high	41 Å²	41	68.4 Å²	68.4	25%	0.248	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.8	131.2	177.1	-175	0	0	0	0	109.4	M282 D296 F297	M282-V287 WeakPolarHBondContact CE-O 3.34Å; V287-D296 HydrophobicContact CG1-CB 4.4Å; V287-D296 HydrophobicContact CG2-CB 4.22Å; V287-F297 HydrophobicContact CB-CB 4.24Å; V287-F297 HydrophobicContact CG1-CB 3.95Å; V287-F297 VanDerWaalsContact O-CD2 3.29Å; V287-F297 WeakPolarHBondContact O-CD2 3.45Å
288	H	95.7	Very high	94	Very high	34 Å²	34	63.7 Å²	63.7	16%	0.157	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-68.8	129.5	-179.6	-170.2	-34.9	0	0	0	111.3	R199 M282 Y290 K291 G292	R199-H288 PolarHBondContact NH2-O 3.23Å; M282-H288 HydrophobicContact CG-CB 4.24Å; H288-Y290 AromaticContact CE1-CD1 3.57Å; H288-Y290 AromaticContact CE1-CD2 3.63Å; H288-Y290 AromaticContact CE1-CE1 3.27Å; H288-Y290 WeakPolarHBondContact CE1-CE1 3.44Å; H288-Y290 AromaticContact CE1-CE2 3.26Å; H288-Y290 WeakPolarHBondContact CE1-CE2 3.35Å; H288-Y290 AromaticContact CE1-CG 3.75Å; H288-Y290 AromaticContact CE1-CZ 3.09Å; H288-Y290 AromaticContact ND1-CG 3.97Å; H288-Y290 PolarHBondContact ND1-N 2.88Å; H288-Y290 AromaticContact NE2-CE2 3.64Å; H288-Y290 AromaticContact NE2-CZ 3.57Å; H288-Y290 PolarHBondContact O-N 2.92Å; H288-K291 HydrophobicContact CB-CB 4.01Å; H288-K291 PolarHBondContact ND1-N 3.06Å; H288-K291 WeakPolarHBondContact NE2-CE 3.34Å; H288-G292 PolarHBondContact O-N 3.33Å
289	P	93.3	Very high	94.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	-175	20.2	-34.6	0	0	0	115.5	H194 P196 R199 L272 M282 F297	H194-P289 HydrophobicContact CB-CB 4.18Å; H194-P289 HydrophobicContact CB-CG 3.99Å; H194-P289 WeakPolarHBondContact O-CB 3.16Å; P196-P289 WeakPolarHBondContact CA-O 3.44Å; R199-P289 PolarHBondContact NE-O 2.82Å; R199-P289 PolarHBondContact NH2-O 3.38Å; L272-P289 HydrophobicContact CG-CG 4.47Å; M282-P289 WeakPolarHBondContact SD-CD 3.11Å; M282-P289 HydrophobicContact SD-CG 4.27Å; P289-F297 HydrophobicContact CB-CD2 4.15Å; P289-F297 HydrophobicContact CB-CE1 4.46Å; P289-F297 HydrophobicContact CB-CE2 3.65Å; P289-F297 HydrophobicContact CB-CZ 3.82Å; P289-F297 HydrophobicContact CG-CE2 4.38Å
290	Y	91	Very high	94.1	Very high	28 Å²	28	64 Å²	64	11%	0.11	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-9.9	177.6	61.3	-107.9	0	0	0	116.1	H194 R203 L272 H288	H194-Y290 HydrophobicContact CB-CD1 4.46Å; H194-Y290 AromaticContact CD2-CD1 3.54Å; H194-Y290 AromaticContact CD2-CE1 3.66Å; H194-Y290 AromaticContact CE1-CD1 3.63Å; H194-Y290 AromaticContact CG-CD1 3.7Å; H194-Y290 AromaticContact ND1-CD1 3.74Å; H194-Y290 AromaticContact NE2-CD1 3.51Å; H194-Y290 AromaticContact NE2-CE1 3.88Å; R203-Y290 VanDerWaalsContact NH1-CZ 3.3Å; L272-Y290 HydrophobicContact CD1-CE1 4.09Å; H288-Y290 AromaticContact CE1-CD1 3.57Å; H288-Y290 AromaticContact CE1-CD2 3.63Å; H288-Y290 AromaticContact CE1-CE1 3.27Å; H288-Y290 WeakPolarHBondContact CE1-CE1 3.44Å; H288-Y290 AromaticContact CE1-CE2 3.26Å; H288-Y290 WeakPolarHBondContact CE1-CE2 3.35Å; H288-Y290 AromaticContact CE1-CG 3.75Å; H288-Y290 AromaticContact CE1-CZ 3.09Å; H288-Y290 AromaticContact ND1-CG 3.97Å; H288-Y290 PolarHBondContact ND1-N 2.88Å; H288-Y290 AromaticContact NE2-CE2 3.64Å; H288-Y290 AromaticContact NE2-CZ 3.57Å; H288-Y290 PolarHBondContact O-N 2.92Å
291	K	92.1	Very high	94.1	Very high	157 Å²	157	62.2 Å²	62.2	68%	0.683	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-28.2	173.9	-55.2	-175.3	-169.4	170.7	0	112.9	H288	H288-K291 HydrophobicContact CB-CB 4.01Å; H288-K291 PolarHBondContact ND1-N 3.06Å; H288-K291 WeakPolarHBondContact NE2-CE 3.34Å
292	G	92.4	Very high	94.2	Very high	26 Å²	26	65.2 Å²	65.2	27%	0.268	36%	0.356	S	S	.	.	S	Bend	trans	-81.3	-174	179.6	0	0	0	0	0	112.2	R199 H288	R199-G292 PolarHBondContact NH1-O 3.18Å; R199-G292 PolarHBondContact NH2-O 2.98Å; H288-G292 PolarHBondContact O-N 3.33Å
293	N	94.5	Very high	94.3	Very high	80 Å²	80	70.2 Å²	70.2	43%	0.428	38%	0.376	S	S	.	.			trans	-67.3	146.3	170.2	-175.9	-58.1	0	0	0	110.4	R199 E295 D296 F297	R199-N293 PolarHBondContact NH2-O 3.46Å; N293-E295 WeakPolarHBondContact OD1-CB 3.07Å; N293-E295 PolarHBondContact OD1-N 3.33Å; N293-D296 HydrophobicContact CB-CB 4Å; N293-D296 WeakPolarHBondContact CB-OD2 3.4Å; N293-D296 PolarHBondContact OD1-N 2.65Å; N293-F297 WeakPolarHBondContact O-CB 3.34Å; N293-F297 PolarHBondContact O-N 3.49Å
294	R	93.7	Very high	94.5	Very high	111 Å²	111	71.5 Å²	71.5	42%	0.419	38%	0.379	S	S	.	.	H	α-helix	trans	-77	-43.3	-177.4	-166	-173.3	73.8	104.8	7.4	111.6	P196 D197 R199 F297 S298	P196-R294 HydrophobicContact CB-CG 4.13Å; D197-R294 IonicContact OD1-NH1 3.8Å; D197-R294 PolarHBondContact OD1-NH1 3.31Å; R199-R294 VanDerWaalsContact NH1-CA 3.33Å; R294-F297 PolarHBondContact O-N 2.87Å; R294-S298 WeakPolarHBondContact O-CB 3.31Å; R294-S298 PolarHBondContact O-N 3.1Å; R294-S298 PolarHBondContact O-OG 3.41Å
295	E	94.6	Very high	94.9	Very high	137 Å²	137	63.7 Å²	63.7	64%	0.64	34%	0.337	S	S	*	.	H	α-helix	trans	-69.6	-42.6	-177.8	-62.3	-178	169.9	0	0	110.6	N293 F297 S298 A299	N293-E295 WeakPolarHBondContact OD1-CB 3.07Å; N293-E295 PolarHBondContact OD1-N 3.33Å; E295-F297 VanDerWaalsContact C-N 3.34Å; E295-F297 PolarHBondContact O-N 3.1Å; E295-S298 PolarHBondContact O-N 2.69Å; E295-A299 VanDerWaalsContact O-CB 3.26Å; E295-A299 WeakPolarHBondContact O-CB 3.35Å; E295-A299 PolarHBondContact O-N 3.16Å
296	D	96.3	Very high	95.4	Very high	93 Å²	93	62.9 Å²	62.9	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-42.3	175.7	-59.9	-23	0	0	0	111.5	V287 N293 A299 A300	V287-D296 HydrophobicContact CG1-CB 4.4Å; V287-D296 HydrophobicContact CG2-CB 4.22Å; N293-D296 HydrophobicContact CB-CB 4Å; N293-D296 WeakPolarHBondContact CB-OD2 3.4Å; N293-D296 PolarHBondContact OD1-N 2.65Å; D296-A299 PolarHBondContact O-N 3.24Å; D296-A300 VanDerWaalsContact O-CB 3.29Å; D296-A300 WeakPolarHBondContact O-CB 3.43Å; D296-A300 PolarHBondContact O-N 3.26Å
297	F	96.3	Very high	95.6	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-52.6	173.8	175	-91.9	0	0	0	111.2	Y193 P196 F270 V287 P289 N293 R294 E295 A299 A300 A301 L347	Y193-F297 HydrophobicContact CE2-CZ 4.39Å; P196-F297 HydrophobicContact CB-CD1 3.57Å; P196-F297 HydrophobicContact CB-CE1 3.81Å; P196-F297 HydrophobicContact CB-CG 4.5Å; P196-F297 HydrophobicContact CG-CD1 3.89Å; P196-F297 HydrophobicContact CG-CE1 3.8Å; F270-F297 HydrophobicContact CB-CE2 4.13Å; F270-F297 HydrophobicContact CD2-CE2 4.18Å; F270-F297 AromaticContact CD2-CZ 3.77Å; F270-F297 HydrophobicContact CD2-CZ 3.77Å; F270-F297 HydrophobicContact CE2-CZ 4.44Å; F270-F297 WeakPolarHBondContact O-CE2 3.42Å; V287-F297 HydrophobicContact CB-CB 4.24Å; V287-F297 HydrophobicContact CG1-CB 3.95Å; V287-F297 VanDerWaalsContact O-CD2 3.29Å; V287-F297 WeakPolarHBondContact O-CD2 3.45Å; P289-F297 HydrophobicContact CB-CD2 4.15Å; P289-F297 HydrophobicContact CB-CE1 4.46Å; P289-F297 HydrophobicContact CB-CE2 3.65Å; P289-F297 HydrophobicContact CB-CZ 3.82Å; P289-F297 HydrophobicContact CG-CE2 4.38Å; N293-F297 WeakPolarHBondContact O-CB 3.34Å; N293-F297 PolarHBondContact O-N 3.49Å; R294-F297 PolarHBondContact O-N 2.87Å; E295-F297 VanDerWaalsContact C-N 3.34Å; E295-F297 PolarHBondContact O-N 3.1Å; F297-A299 VanDerWaalsContact C-N 3.29Å; F297-A299 PolarHBondContact O-N 2.97Å; F297-A300 PolarHBondContact O-N 3.28Å; F297-A301 HydrophobicContact CE1-CB 4.42Å; F297-A301 VanDerWaalsContact O-CB 3.28Å; F297-A301 WeakPolarHBondContact O-CB 3.37Å; F297-A301 PolarHBondContact O-N 2.91Å; F297-L347 HydrophobicContact CE1-CD2 4.43Å
298	S	96.3	Very high	95.7	Very high	18 Å²	18	61.9 Å²	61.9	13%	0.126	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-38.4	-178.6	-72.8	0	0	0	0	111.9	R294 E295 R302 P346	R294-S298 WeakPolarHBondContact O-CB 3.31Å; R294-S298 PolarHBondContact O-N 3.1Å; R294-S298 PolarHBondContact O-OG 3.41Å; E295-S298 PolarHBondContact O-N 2.69Å; S298-R302 WeakPolarHBondContact O-CB 3.48Å; S298-R302 PolarHBondContact O-N 3.43Å; S298-P346 PolarHBondContact OG-O 3.45Å
299	A	96.9	Very high	95.8	Very high	60 Å²	60	60.5 Å²	60.5	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-67.5	-46.4	177.2	0	0	0	0	0	111.9	E295 D296 F297 R302 K303	E295-A299 VanDerWaalsContact O-CB 3.26Å; E295-A299 WeakPolarHBondContact O-CB 3.35Å; E295-A299 PolarHBondContact O-N 3.16Å; D296-A299 PolarHBondContact O-N 3.24Å; F297-A299 VanDerWaalsContact C-N 3.29Å; F297-A299 PolarHBondContact O-N 2.97Å; A299-R302 PolarHBondContact O-N 3.24Å; A299-K303 WeakPolarHBondContact O-CB 3.15Å; A299-K303 PolarHBondContact O-N 3.18Å
300	A	96.6	Very high	95.9	Very high	45 Å²	45	63.4 Å²	63.4	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-46.8	177.9	0	0	0	0	0	111.9	D296 F297 K303 R304	D296-A300 VanDerWaalsContact O-CB 3.29Å; D296-A300 WeakPolarHBondContact O-CB 3.43Å; D296-A300 PolarHBondContact O-N 3.26Å; F297-A300 PolarHBondContact O-N 3.28Å; A300-K303 PolarHBondContact O-N 2.94Å; A300-R304 PolarHBondContact O-N 3.05Å
301	A	97.3	Very high	96	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-45.7	177.1	0	0	0	0	0	111.5	F270 F297 K303 R304 I305 L347	F270-A301 HydrophobicContact CB-CB 4.44Å; F270-A301 HydrophobicContact CD1-CB 3.69Å; F270-A301 HydrophobicContact CD2-CB 3.97Å; F270-A301 HydrophobicContact CE1-CB 3.74Å; F270-A301 HydrophobicContact CE2-CB 4.04Å; F270-A301 HydrophobicContact CG-CB 3.78Å; F270-A301 HydrophobicContact CZ-CB 3.91Å; F297-A301 HydrophobicContact CE1-CB 4.42Å; F297-A301 VanDerWaalsContact O-CB 3.28Å; F297-A301 WeakPolarHBondContact O-CB 3.37Å; F297-A301 PolarHBondContact O-N 2.91Å; A301-K303 VanDerWaalsContact C-N 3.33Å; A301-K303 PolarHBondContact O-N 3.2Å; A301-R304 PolarHBondContact O-N 3.13Å; A301-I305 WeakPolarHBondContact O-CG1 3.4Å; A301-I305 PolarHBondContact O-N 3.24Å; A301-I305 VanDerWaalsContact O-N 3.09Å; A301-L347 HydrophobicContact CB-CD1 3.97Å; A301-L347 HydrophobicContact CB-CD2 3.97Å
302	R	97.8	Very high	96.1	Very high	125 Å²	125	58.5 Å²	58.5	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-57.6	-46.7	175.1	-177.8	-173.9	-177.1	160.3	-1.6	111.3	S298 A299 R304 I305 M306 L347 I349	S298-R302 WeakPolarHBondContact O-CB 3.48Å; S298-R302 PolarHBondContact O-N 3.43Å; A299-R302 PolarHBondContact O-N 3.24Å; R302-R304 VanDerWaalsContact C-N 3.35Å; R302-R304 PolarHBondContact O-N 3.23Å; R302-I305 PolarHBondContact O-N 3.44Å; R302-M306 HydrophobicContact CG-CG 4.11Å; R302-M306 WeakPolarHBondContact O-CB 3.38Å; R302-M306 VanDerWaalsContact O-CG 3.29Å; R302-M306 WeakPolarHBondContact O-CG 3.38Å; R302-M306 PolarHBondContact O-N 3.3Å; R302-L347 HydrophobicContact CB-CB 4.43Å; R302-L347 WeakPolarHBondContact CB-O 2.87Å; R302-L347 WeakPolarHBondContact CD-O 3.26Å; R302-L347 VanDerWaalsContact CG-O 3.24Å; R302-L347 WeakPolarHBondContact CG-O 3.42Å; R302-I349 HydrophobicContact CG-CD1 4.47Å; R302-I349 HydrophobicContact CG-CG1 4.26Å
303	K	97.7	Very high	96.1	Very high	136 Å²	136	61.1 Å²	61.1	59%	0.591	30%	0.303	S	S	*	.	H	α-helix	trans	-56.5	-50.2	178.9	-179.9	-179	172.1	-175.3	0	110.5	A299 A300 A301 I305 M306 E307	A299-K303 WeakPolarHBondContact O-CB 3.15Å; A299-K303 PolarHBondContact O-N 3.18Å; A300-K303 PolarHBondContact O-N 2.94Å; A301-K303 VanDerWaalsContact C-N 3.33Å; A301-K303 PolarHBondContact O-N 3.2Å; K303-I305 PolarHBondContact O-N 3.36Å; K303-M306 PolarHBondContact O-N 2.83Å; K303-E307 WeakPolarHBondContact CE-OE1 3.31Å; K303-E307 WeakPolarHBondContact CG-OE1 3.39Å; K303-E307 WeakPolarHBondContact O-CG 3.44Å; K303-E307 PolarHBondContact O-N 2.77Å
304	R	97.3	Very high	95.9	Very high	92 Å²	92	60.8 Å²	60.8	35%	0.347	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-44	-179.6	-168.2	66.7	175.8	143.8	1.4	112.8	A266 D269 A300 A301 R302 E307 V308	A266-R304 HydrophobicContact CB-CG 3.76Å; D269-R304 IonicContact OD2-CZ 2.69Å; D269-R304 VanDerWaalsContact OD2-CZ 3.28Å; D269-R304 IonicContact OD2-NE 3.53Å; D269-R304 PolarHBondContact OD2-NE 2.95Å; D269-R304 IonicContact OD2-NH2 3.93Å; D269-R304 PolarHBondContact OD2-NH2 3.26Å; A300-R304 PolarHBondContact O-N 3.05Å; A301-R304 PolarHBondContact O-N 3.13Å; R302-R304 VanDerWaalsContact C-N 3.35Å; R302-R304 PolarHBondContact O-N 3.23Å; R304-E307 IonicContact NH1-OE2 3.7Å; R304-V308 PolarHBondContact O-N 3.42Å
305	I	98.1	Very high	95.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.7	-42.6	178.7	-59.6	-67.7	0	0	0	111.6	L263 A266 V267 F270 A301 R302 K303 E307 V308 V309 V342 M344 I349	L263-I305 HydrophobicContact CD1-CD1 3.82Å; L263-I305 HydrophobicContact CD1-CG2 3.94Å; A266-I305 HydrophobicContact CB-CD1 3.8Å; V267-I305 HydrophobicContact CG2-CD1 3.52Å; F270-I305 HydrophobicContact CE1-CD1 3.92Å; F270-I305 HydrophobicContact CE1-CG1 3.92Å; F270-I305 HydrophobicContact CZ-CD1 4.17Å; F270-I305 HydrophobicContact CZ-CG1 4.21Å; A301-I305 WeakPolarHBondContact O-CG1 3.4Å; A301-I305 PolarHBondContact O-N 3.24Å; A301-I305 VanDerWaalsContact O-N 3.09Å; R302-I305 PolarHBondContact O-N 3.44Å; K303-I305 PolarHBondContact O-N 3.36Å; I305-E307 VanDerWaalsContact C-N 3.28Å; I305-E307 PolarHBondContact O-N 2.97Å; I305-V308 WeakPolarHBondContact O-CB 3.36Å; I305-V308 PolarHBondContact O-N 2.88Å; I305-V309 PolarHBondContact O-N 2.91Å; I305-V342 HydrophobicContact CG2-CG1 4.36Å; I305-M344 HydrophobicContact CD1-CE 4.16Å; I305-M344 HydrophobicContact CD1-SD 4.25Å; I305-M344 HydrophobicContact CG1-SD 4.03Å; I305-M344 HydrophobicContact CG2-SD 4.24Å; I305-I349 HydrophobicContact CB-CD1 3.7Å; I305-I349 HydrophobicContact CG1-CD1 4.4Å; I305-I349 HydrophobicContact CG2-CD1 3.46Å; I305-I349 VanDerWaalsContact CG2-CD1 3.46Å
306	M	97.6	Very high	95.1	Very high	68 Å²	68	54.6 Å²	54.6	34%	0.335	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-28.2	179.4	-68.6	-55.3	-52.1	0	0	112.5	R302 K303 V309 S310 I349 M351	R302-M306 HydrophobicContact CG-CG 4.11Å; R302-M306 WeakPolarHBondContact O-CB 3.38Å; R302-M306 VanDerWaalsContact O-CG 3.29Å; R302-M306 WeakPolarHBondContact O-CG 3.38Å; R302-M306 PolarHBondContact O-N 3.3Å; K303-M306 PolarHBondContact O-N 2.83Å; M306-V309 HydrophobicContact CE-CG1 4.43Å; M306-V309 PolarHBondContact O-N 2.95Å; M306-S310 VanDerWaalsContact O-CB 3.26Å; M306-S310 WeakPolarHBondContact O-CB 3.21Å; M306-S310 PolarHBondContact O-N 3.28Å; M306-S310 PolarHBondContact O-OG 2.82Å; M306-I349 HydrophobicContact CG-CD1 4.44Å; M306-I349 HydrophobicContact SD-CD1 4.21Å; M306-I349 HydrophobicContact SD-CG1 4.17Å; M306-M351 HydrophobicContact CE-CE 4.06Å; M306-M351 HydrophobicContact SD-CE 3.62Å
307	E	97.4	Very high	94.3	Very high	75 Å²	75	54.9 Å²	54.9	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-49.3	170.2	-79.5	169.8	-177.1	0	0	111	K303 R304 I305 V309 S310 L311	K303-E307 WeakPolarHBondContact CE-OE1 3.31Å; K303-E307 WeakPolarHBondContact CG-OE1 3.39Å; K303-E307 WeakPolarHBondContact O-CG 3.44Å; K303-E307 PolarHBondContact O-N 2.77Å; R304-E307 IonicContact NH1-OE2 3.7Å; I305-E307 VanDerWaalsContact C-N 3.28Å; I305-E307 PolarHBondContact O-N 2.97Å; E307-V309 VanDerWaalsContact C-N 3.35Å; E307-V309 PolarHBondContact O-N 2.68Å; E307-S310 WeakPolarHBondContact CA-OG 3.44Å; E307-S310 PolarHBondContact O-N 3.28Å; E307-S310 PolarHBondContact O-OG 2.91Å; E307-L311 VanDerWaalsContact O-CB 3.31Å; E307-L311 WeakPolarHBondContact O-CB 3.21Å; E307-L311 PolarHBondContact O-N 3.25Å
308	V	97.6	Very high	93.6	Very high	13 Å²	13	60 Å²	60	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-50.1	176	175.7	0	0	0	0	111	F259 D262 A266 R304 I305 S310 L311 A312	F259-V308 HydrophobicContact CD2-CG1 4.29Å; F259-V308 HydrophobicContact CE2-CG1 4.2Å; D262-V308 HydrophobicContact CB-CG1 3.7Å; D262-V308 HydrophobicContact CB-CG2 4.15Å; A266-V308 HydrophobicContact CB-CG2 3.76Å; R304-V308 PolarHBondContact O-N 3.42Å; I305-V308 WeakPolarHBondContact O-CB 3.36Å; I305-V308 PolarHBondContact O-N 2.88Å; V308-S310 PolarHBondContact O-N 2.73Å; V308-L311 PolarHBondContact O-N 3.01Å; V308-A312 WeakPolarHBondContact O-CB 3.41Å; V308-A312 PolarHBondContact O-N 2.7Å
309	V	96.4	Very high	92.5	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-43.3	-179.4	173.9	0	0	0	0	111.2	P86 F259 I305 M306 E307 R313 M351	P86-V309 HydrophobicContact CG-CG1 4.12Å; F259-V309 HydrophobicContact CE2-CG2 4.16Å; F259-V309 HydrophobicContact CZ-CG2 4.27Å; I305-V309 PolarHBondContact O-N 2.91Å; M306-V309 HydrophobicContact CE-CG1 4.43Å; M306-V309 PolarHBondContact O-N 2.95Å; E307-V309 VanDerWaalsContact C-N 3.35Å; E307-V309 PolarHBondContact O-N 2.68Å; V309-R313 WeakPolarHBondContact O-CG 3.35Å; V309-R313 PolarHBondContact O-N 3.47Å; V309-R313 VanDerWaalsContact O-N 3.14Å; V309-M351 HydrophobicContact CB-CE 4.39Å; V309-M351 HydrophobicContact CG1-CE 4.04Å; V309-M351 HydrophobicContact CG1-SD 3.94Å; V309-M351 HydrophobicContact CG2-CE 3.89Å; V309-M351 HydrophobicContact CG2-SD 4.46Å
310	S	95.3	Very high	91.2	Very high	61 Å²	61	63.9 Å²	63.9	43%	0.427	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-41	178.7	71.7	0	0	0	0	112.2	M306 E307 V308 R313 V314	M306-S310 VanDerWaalsContact O-CB 3.26Å; M306-S310 WeakPolarHBondContact O-CB 3.21Å; M306-S310 PolarHBondContact O-N 3.28Å; M306-S310 PolarHBondContact O-OG 2.82Å; E307-S310 WeakPolarHBondContact CA-OG 3.44Å; E307-S310 PolarHBondContact O-N 3.28Å; E307-S310 PolarHBondContact O-OG 2.91Å; V308-S310 PolarHBondContact O-N 2.73Å; S310-R313 PolarHBondContact O-N 2.98Å; S310-V314 WeakPolarHBondContact O-CG2 3.5Å; S310-V314 PolarHBondContact O-N 2.89Å
311	L	94.9	Very high	89.8	Confident	76 Å²	76	71.1 Å²	71.1	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-42.1	179.6	-178.1	60.4	0	0	0	111	E307 V308 R313 V314 R315	E307-L311 VanDerWaalsContact O-CB 3.31Å; E307-L311 WeakPolarHBondContact O-CB 3.21Å; E307-L311 PolarHBondContact O-N 3.25Å; V308-L311 PolarHBondContact O-N 3.01Å; L311-R313 VanDerWaalsContact C-N 3.32Å; L311-R313 PolarHBondContact O-N 2.8Å; L311-V314 PolarHBondContact O-N 3.2Å; L311-V314 VanDerWaalsContact O-N 3.17Å; L311-R315 WeakPolarHBondContact O-CG 3.48Å; L311-R315 PolarHBondContact O-N 3.2Å
312	A	94.3	Very high	88.3	Confident	6 Å²	6	79 Å²	79	5%	0.05	35%	0.353	C	S	.	.	H	α-helix	trans	-58.8	-43.5	174.1	0	0	0	0	0	111.7	P86 F88 F259 V308 V314 R315 Q316	P86-A312 HydrophobicContact CB-CB 4.05Å; P86-A312 HydrophobicContact CG-CB 3.93Å; F88-A312 HydrophobicContact CZ-CB 4.28Å; F259-A312 HydrophobicContact CD2-CB 3.7Å; F259-A312 HydrophobicContact CE2-CB 4.19Å; V308-A312 WeakPolarHBondContact O-CB 3.41Å; V308-A312 PolarHBondContact O-N 2.7Å; A312-V314 PolarHBondContact O-N 2.92Å; A312-R315 PolarHBondContact O-N 3.27Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 3.3Å
313	R	91.5	Very high	86.3	Confident	81 Å²	81	75.6 Å²	75.6	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-42.4	173.9	-67.8	-176.7	72.6	-176.7	4	112.1	E83 P86 V309 S310 L311 Q316 H317	E83-R313 PolarHBondContact O-NH2 3.22Å; P86-R313 HydrophobicContact CB-CG 4.38Å; P86-R313 HydrophobicContact CG-CG 3.89Å; V309-R313 WeakPolarHBondContact O-CG 3.35Å; V309-R313 PolarHBondContact O-N 3.47Å; V309-R313 VanDerWaalsContact O-N 3.14Å; S310-R313 PolarHBondContact O-N 2.98Å; L311-R313 VanDerWaalsContact C-N 3.32Å; L311-R313 PolarHBondContact O-N 2.8Å; R313-Q316 WeakPolarHBondContact O-CB 3.35Å; R313-Q316 PolarHBondContact O-N 3.24Å; R313-H317 PolarHBondContact O-N 3.28Å; R313-H317 PolarHBondContact O-ND1 3.49Å
314	V	90.3	Very high	84.3	Confident	72 Å²	72	78.7 Å²	78.7	44%	0.436	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-46.5	178.2	171.1	0	0	0	0	111.1	S310 L311 A312 Q316 H317 Q318	S310-V314 WeakPolarHBondContact O-CG2 3.5Å; S310-V314 PolarHBondContact O-N 2.89Å; L311-V314 PolarHBondContact O-N 3.2Å; L311-V314 VanDerWaalsContact O-N 3.17Å; A312-V314 PolarHBondContact O-N 2.92Å; V314-Q316 VanDerWaalsContact C-N 3.35Å; V314-Q316 PolarHBondContact O-N 3.41Å; V314-H317 PolarHBondContact O-N 3.17Å; V314-Q318 WeakPolarHBondContact O-CG 3.41Å; V314-Q318 PolarHBondContact O-N 3.5Å
315	R	87.9	Confident	82.2	Confident	106 Å²	106	82.2 Å²	82.2	40%	0.4	38%	0.376	S	S	.	.	H	α-helix	trans	-57.2	-48	176.3	-72.4	175.5	-179.5	160.8	0.5	110.9	D262 L311 A312 H317 Q318 Q319	D262-R315 IonicContact OD2-NH1 3.51Å; D262-R315 PolarHBondContact OD2-NH1 3.46Å; L311-R315 WeakPolarHBondContact O-CG 3.48Å; L311-R315 PolarHBondContact O-N 3.2Å; A312-R315 PolarHBondContact O-N 3.27Å; R315-H317 PolarHBondContact O-N 2.92Å; R315-Q318 PolarHBondContact O-N 2.97Å; R315-Q319 PolarHBondContact O-N 3.09Å
316	Q	82.7	Confident	80	Confident	13 Å²	13	89.4 Å²	89.4	6%	0.061	41%	0.41	C	S	.	.	H	α-helix	trans	-56.3	-48.5	176.3	-178.5	-163.6	-0.9	0	0	112.5	A87 A312 R313 V314 Q318 Q319 L320	A87-Q316 WeakPolarHBondContact O-CG 3.35Å; A87-Q316 PolarHBondContact O-NE2 2.96Å; A87-Q316 VanDerWaalsContact O-NE2 3.15Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 3.3Å; R313-Q316 WeakPolarHBondContact O-CB 3.35Å; R313-Q316 PolarHBondContact O-N 3.24Å; V314-Q316 VanDerWaalsContact C-N 3.35Å; V314-Q316 PolarHBondContact O-N 3.41Å; Q316-Q318 VanDerWaalsContact C-N 3.3Å; Q316-Q318 PolarHBondContact O-N 3.45Å; Q316-Q319 PolarHBondContact O-N 3Å; Q316-L320 HydrophobicContact CG-CD1 4.02Å; Q316-L320 WeakPolarHBondContact O-CG 3.41Å; Q316-L320 PolarHBondContact O-N 2.67Å
317	H	80.1	Confident	77.7	Confident	99 Å²	99	94.1 Å²	94.1	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-65.4	-33.6	-180	-75.6	76.1	0	0	0	112.4	R313 V314 R315 R321	R313-H317 PolarHBondContact O-N 3.28Å; R313-H317 PolarHBondContact O-ND1 3.49Å; V314-H317 PolarHBondContact O-N 3.17Å; R315-H317 PolarHBondContact O-N 2.92Å; H317-R321 WeakPolarHBondContact O-CG 3.44Å; H317-R321 PolarHBondContact O-N 2.71Å
318	Q	81.2	Confident	75.3	Confident	108 Å²	108	95 Å²	95	51%	0.505	45%	0.451	S	S	.	.	H	α-helix	trans	-69	-40.5	174.9	-71.6	174.7	-7.5	0	0	111.5	V314 R315 Q316 R321 R322	V314-Q318 WeakPolarHBondContact O-CG 3.41Å; V314-Q318 PolarHBondContact O-N 3.5Å; R315-Q318 PolarHBondContact O-N 2.97Å; Q316-Q318 VanDerWaalsContact C-N 3.3Å; Q316-Q318 PolarHBondContact O-N 3.45Å; Q318-R321 PolarHBondContact O-N 2.93Å; Q318-R322 PolarHBondContact O-N 3.29Å; Q318-R322 VanDerWaalsContact O-N 3.13Å
319	Q	74.1	Confident	73	Confident	86 Å²	86	105.7 Å²	105.7	40%	0.402	49%	0.49	S	S	.	.	H	α-helix	trans	-68.7	-43.6	179.3	-167.3	164.8	-40.2	0	0	112	E255 R315 Q316 R321 R322 S323	E255-Q319 PolarHBondContact OE1-OE1 2.88Å; E255-Q319 PolarHBondContact OE2-NE2 2.86Å; R315-Q319 PolarHBondContact O-N 3.09Å; Q316-Q319 PolarHBondContact O-N 3Å; Q319-R321 PolarHBondContact O-N 2.94Å; Q319-R322 PolarHBondContact O-N 3.46Å; Q319-S323 PolarHBondContact O-N 3.47Å; Q319-S323 PolarHBondContact O-OG 3.12Å
320	L	70.4	Confident	71	Confident	74 Å²	74	110.2 Å²	110.2	39%	0.387	52%	0.522	S	S	.	.	H	α-helix	trans	-59.1	-29.8	173.5	-77.6	163.9	0	0	0	113.3	Q316 S323 R324	Q316-L320 HydrophobicContact CG-CD1 4.02Å; Q316-L320 WeakPolarHBondContact O-CG 3.41Å; Q316-L320 PolarHBondContact O-N 2.67Å; L320-S323 WeakPolarHBondContact CA-OG 3.2Å; L320-S323 PolarHBondContact O-OG 3.32Å; L320-R324 WeakPolarHBondContact O-CG 3.48Å
321	R	66.9	Low	69	Low	197 Å²	197	116.9 Å²	116.9	74%	0.743	55%	0.546	S	S	*	.	H	α-helix	trans	-74.8	-38.8	174.5	-77	-177.9	129.9	174.9	-2.2	112.1	H317 Q318 Q319	H317-R321 WeakPolarHBondContact O-CG 3.44Å; H317-R321 PolarHBondContact O-N 2.71Å; Q318-R321 PolarHBondContact O-N 2.93Å; Q319-R321 PolarHBondContact O-N 2.94Å
322	R	64.1	Low	67.3	Low	167 Å²	167	119.2 Å²	119.2	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-72.4	-40.1	177.6	-74.6	176.9	162.4	166.2	-5.3	112.8	Q318 Q319 R324 E325 E326	Q318-R322 PolarHBondContact O-N 3.29Å; Q318-R322 VanDerWaalsContact O-N 3.13Å; Q319-R322 PolarHBondContact O-N 3.46Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 3.08Å; R322-E325 WeakPolarHBondContact O-CA 3.07Å; R322-E325 WeakPolarHBondContact O-CB 3.01Å; R322-E325 PolarHBondContact O-N 3.17Å; R322-E326 PolarHBondContact O-N 3.02Å
323	S	57.4	Low	66.3	Low	53 Å²	53	126.4 Å²	126.4	37%	0.371	59%	0.588	S	S	.	*	H	α-helix	trans	-65.7	-30.9	-179.8	59.5	0	0	0	0	112.9	Q319 L320 E325 E326 E327	Q319-S323 PolarHBondContact O-N 3.47Å; Q319-S323 PolarHBondContact O-OG 3.12Å; L320-S323 WeakPolarHBondContact CA-OG 3.2Å; L320-S323 PolarHBondContact O-OG 3.32Å; S323-E325 PolarHBondContact O-N 3.19Å; S323-E326 PolarHBondContact O-N 2.79Å; S323-E327 PolarHBondContact O-N 3.14Å
324	R	54.8	Low	65.7	Low	201 Å²	201	125.8 Å²	125.8	76%	0.758	59%	0.588	S	S	*	*	H	α-helix	trans	-63.4	-15.9	169.6	-78.5	-179.5	167.2	-161.6	-4.8	114.2	L320 R322	L320-R324 WeakPolarHBondContact O-CG 3.48Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 3.08Å
325	E	52.5	Low	65.7	Low	166 Å²	166	123.6 Å²	123.6	78%	0.776	57%	0.574	S	S	*	*	H	α-helix	trans	-99.8	-16.3	177.5	-62.8	173.6	172.7	0	0	112	R322 S323	R322-E325 WeakPolarHBondContact O-CA 3.07Å; R322-E325 WeakPolarHBondContact O-CB 3.01Å; R322-E325 PolarHBondContact O-N 3.17Å; S323-E325 PolarHBondContact O-N 3.19Å
326	E	52.7	Low	66	Low	151 Å²	151	118.5 Å²	118.5	71%	0.706	56%	0.555	S	S	*	*	H	α-helix	trans	-122.4	16.5	-171.1	-71.8	-177.5	161.1	0	0	114.6	R322 S323 A328	R322-E326 PolarHBondContact O-N 3.02Å; S323-E326 PolarHBondContact O-N 2.79Å; E326-A328 PolarHBondContact O-N 3.47Å
327	E	49.7	Very low	66.7	Low	167 Å²	167	120.2 Å²	120.2	78%	0.78	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	18	-177.4	-109.9	172.4	-158	0	0	116.6	S323	S323-E327 PolarHBondContact O-N 3.14Å
328	A	46.3	Very low	67.5	Low	93 Å²	93	115.5 Å²	115.5	77%	0.769	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	5.8	-174	0	0	0	0	0	115.9	E326	E326-A328 PolarHBondContact O-N 3.47Å
329	R	49.4	Very low	68.3	Low	237 Å²	237	110.6 Å²	110.6	89%	0.894	52%	0.516	S	S	*	.	S	Bend	trans	-142.4	1.8	-167.7	-72.3	-169.3	179.3	175.6	-0.7	120.1
330	S	53.7	Low	69.4	Low	101 Å²	101	106.6 Å²	106.6	71%	0.706	50%	0.497	S	S	*	.			trans	-107.6	120.6	175.6	57.6	0	0	0	0	111.6
331	E	53.5	Low	70.7	Confident	201 Å²	201	103 Å²	103	94%	0.939	48%	0.479	S	S	*	.			trans	-82.3	-11.6	174.6	-66.7	-178	169.4	0	0	113
332	E	60.6	Low	72.2	Confident	124 Å²	124	93.7 Å²	93.7	58%	0.579	44%	0.444	S	S	*	.	S	Bend	trans	-84.4	114.3	178	-72.8	-179.2	-175.8	0	0	111	P91 E334	P91-E332 HydrophobicContact CG-CB 4.44Å; E332-E334 PolarHBondContact O-N 2.87Å
333	E	72.1	Confident	73.8	Confident	158 Å²	158	85.8 Å²	85.8	74%	0.738	41%	0.414	S	S	*	.			trans	-70.9	109.2	174.2	-73.6	-176.9	167.1	0	0	110.4	D335	E333-D335 PolarHBondContact O-N 3.16Å
334	E	78.8	Confident	75.7	Confident	68 Å²	68	83.2 Å²	83.2	32%	0.318	40%	0.396	S	S	.	.			trans	-76.5	67	170.7	-56.4	177.1	150.8	0	0	111.2	R89 E332 T336	R89-E334 HydrophobicContact CB-CB 3.9Å; R89-E334 HydrophobicContact CB-CG 4.35Å; R89-E334 VanDerWaalsContact CB-OE2 3.26Å; R89-E334 WeakPolarHBondContact CB-OE2 3.28Å; R89-E334 WeakPolarHBondContact CD-OE2 3.34Å; R89-E334 IonicContact CZ-OE2 3.91Å; R89-E334 PolarHBondContact NE-O 2.88Å; R89-E334 IonicContact NE-OE2 3.51Å; R89-E334 IonicContact NH1-OE2 3.8Å; R89-E334 PolarHBondContact NH1-OE2 3.37Å; R89-E334 PolarHBondContact NH2-O 3.29Å; E332-E334 PolarHBondContact O-N 2.87Å; E334-T336 PolarHBondContact O-N 3.04Å
335	D	91.3	Very high	77.5	Confident	25 Å²	25	76.2 Å²	76.2	13%	0.134	37%	0.371	C	S	.	.			trans	-78.4	3.8	-175	61.9	14	0	0	0	115	G92 E333 E494 N495	G92-D335 WeakPolarHBondContact CA-OD1 3.5Å; G92-D335 PolarHBondContact N-OD1 3.38Å; E333-D335 PolarHBondContact O-N 3.16Å; D335-E494 HydrophobicContact CB-CB 4.49Å; D335-E494 PolarHBondContact O-N 3.27Å; D335-N495 WeakPolarHBondContact OD2-CB 3.38Å; D335-N495 PolarHBondContact OD2-ND2 3.45Å
336	T	94.7	Very high	79.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.7	-172.9	-58.1	0	0	0	0	112	R89 V90 G92 I95 E334 I491 V492 T493 L498	R89-T336 WeakPolarHBondContact CA-O 3.16Å; V90-T336 HydrophobicContact CG2-CG2 4.19Å; V90-T336 PolarHBondContact N-O 2.67Å; V90-T336 WeakPolarHBondContact O-CB 3.44Å; V90-T336 PolarHBondContact O-N 3.49Å; V90-T336 VanDerWaalsContact O-O 3.11Å; G92-T336 WeakPolarHBondContact CA-OG1 3.36Å; G92-T336 PolarHBondContact N-OG1 3.23Å; I95-T336 HydrophobicContact CD1-CG2 3.64Å; E334-T336 PolarHBondContact O-N 3.04Å; T336-I491 HydrophobicContact CG2-CG2 3.59Å; T336-V492 CarbonylContact C-O 3.17Å; T336-V492 WeakPolarHBondContact CA-O 3.47Å; T336-T493 WeakPolarHBondContact OG1-CB 3.4Å; T336-T493 PolarHBondContact OG1-OG1 2.87Å; T336-L498 HydrophobicContact CG2-CD2 4.09Å
337	W	95.8	Very high	81.5	Confident	48 Å²	48	62.3 Å²	62.3	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.6	175.5	-69.3	87.6	0	0	0	111.2	C75 A87 F88 R89 F339 I491 V492	C75-W337 VanDerWaalsContact SG-CD1 3.52Å; A87-W337 HydrophobicContact CB-CE3 3.77Å; A87-W337 HydrophobicContact CB-CZ3 3.88Å; F88-W337 CarbonylContact O-C 3.6Å; F88-W337 WeakPolarHBondContact O-CA 3.41Å; R89-W337 VanDerWaalsContact CD-CH2 3.5Å; R89-W337 VanDerWaalsContact CD-CZ2 3.41Å; R89-W337 HydrophobicContact CG-CD2 3.79Å; R89-W337 HydrophobicContact CG-CE3 3.6Å; R89-W337 HydrophobicContact CG-CH2 3.34Å; R89-W337 HydrophobicContact CG-CZ2 3.51Å; R89-W337 HydrophobicContact CG-CZ3 3.37Å; W337-F339 HydrophobicContact CB-CD2 4.34Å; W337-F339 HydrophobicContact CB-CE2 3.49Å; W337-F339 VanDerWaalsContact CB-CE2 3.49Å; W337-F339 HydrophobicContact CB-CZ 3.74Å; W337-F339 HydrophobicContact CE3-CZ 4.5Å; W337-F339 HydrophobicContact CG-CE2 4.44Å; W337-F339 HydrophobicContact CG-CZ 4.26Å; W337-I491 CarbonylContact O-C 3.56Å; W337-I491 WeakPolarHBondContact O-CA 3.48Å; W337-V492 HydrophobicContact CB-CB 4.36Å; W337-V492 PolarHBondContact N-O 3.27Å; W337-V492 PolarHBondContact O-N 3.23Å
338	V	97.4	Very high	83.6	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.6	174.8	-179.2	0	0	0	0	109.4	F88 V90 I95 L250 V256 I489 A490	F88-V338 PolarHBondContact N-O 3.03Å; F88-V338 PolarHBondContact O-N 3.02Å; V90-V338 HydrophobicContact CG2-CG2 3.71Å; I95-V338 HydrophobicContact CD1-CG2 4.18Å; L250-V338 HydrophobicContact CD2-CG1 4.23Å; L250-V338 HydrophobicContact CD2-CG2 3.82Å; V256-V338 HydrophobicContact CG1-CG1 4.14Å; V256-V338 HydrophobicContact CG2-CB 4.23Å; V256-V338 HydrophobicContact CG2-CG1 4.18Å; V338-I489 HydrophobicContact CG1-CB 4.16Å; V338-I489 HydrophobicContact CG1-CD1 4.31Å; V338-I489 HydrophobicContact CG1-CG2 4.11Å; V338-A490 WeakPolarHBondContact CA-O 3.47Å
339	F	97.7	Very high	86.1	Confident	5 Å²	5	51.7 Å²	51.7	2%	0.022	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	106.7	-179.4	-55.3	-91.7	0	0	0	110	M81 A82 I85 A87 W337 L341 I489 A490 V492	M81-F339 HydrophobicContact CB-CD1 3.69Å; M81-F339 HydrophobicContact CB-CE1 3.62Å; M81-F339 HydrophobicContact CB-CG 4.21Å; M81-F339 HydrophobicContact CB-CZ 4.1Å; M81-F339 HydrophobicContact CE-CD2 3.93Å; M81-F339 HydrophobicContact CE-CE2 3.81Å; M81-F339 HydrophobicContact CE-CZ 4.31Å; M81-F339 HydrophobicContact SD-CD2 4.25Å; M81-F339 HydrophobicContact SD-CG 4.32Å; A82-F339 HydrophobicContact CB-CE1 4.08Å; I85-F339 HydrophobicContact CD1-CB 3.69Å; I85-F339 HydrophobicContact CD1-CD1 4.22Å; I85-F339 HydrophobicContact CD1-CG 4.35Å; I85-F339 HydrophobicContact CG1-CD1 4.35Å; A87-F339 HydrophobicContact CB-CD1 3.44Å; A87-F339 VanDerWaalsContact CB-CD1 3.44Å; A87-F339 HydrophobicContact CB-CE1 3.28Å; A87-F339 HydrophobicContact CB-CG 4.49Å; A87-F339 HydrophobicContact CB-CZ 4.22Å; W337-F339 HydrophobicContact CB-CD2 4.34Å; W337-F339 HydrophobicContact CB-CE2 3.49Å; W337-F339 VanDerWaalsContact CB-CE2 3.49Å; W337-F339 HydrophobicContact CB-CZ 3.74Å; W337-F339 HydrophobicContact CE3-CZ 4.5Å; W337-F339 HydrophobicContact CG-CE2 4.44Å; W337-F339 HydrophobicContact CG-CZ 4.26Å; F339-L341 PolarHBondContact O-N 2.81Å; F339-I489 CarbonylContact O-C 3.51Å; F339-I489 WeakPolarHBondContact O-CA 3.48Å; F339-A490 HydrophobicContact CB-CB 4.12Å; F339-A490 HydrophobicContact CD2-CB 4.2Å; F339-A490 PolarHBondContact N-O 3.4Å; F339-A490 PolarHBondContact O-N 2.97Å; F339-V492 HydrophobicContact CD2-CG2 4.37Å; F339-V492 HydrophobicContact CE2-CB 4.22Å; F339-V492 HydrophobicContact CE2-CG2 3.78Å
340	P	97.8	Very high	88.3	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.4	173.1	30.5	-38.3	0	0	0	111.9	P86 F88 F259 F260	P86-P340 HydrophobicContact CB-CG 3.98Å; P86-P340 HydrophobicContact CG-CG 4.3Å; P86-P340 WeakPolarHBondContact O-CD 3.42Å; F88-P340 HydrophobicContact CD2-CG 4.4Å; F88-P340 HydrophobicContact CE2-CG 3.73Å; F259-P340 HydrophobicContact CD1-CB 3.54Å; F259-P340 HydrophobicContact CD1-CG 3.84Å; F259-P340 HydrophobicContact CD2-CG 4.19Å; F259-P340 HydrophobicContact CE1-CB 3.21Å; F259-P340 HydrophobicContact CE1-CG 3.72Å; F259-P340 HydrophobicContact CE2-CB 4.4Å; F259-P340 HydrophobicContact CE2-CG 4.03Å; F259-P340 HydrophobicContact CG-CB 4.3Å; F259-P340 HydrophobicContact CG-CG 4.1Å; F259-P340 HydrophobicContact CZ-CB 3.68Å; F259-P340 HydrophobicContact CZ-CG 3.79Å; F260-P340 HydrophobicContact CE2-CB 4.33Å; F260-P340 HydrophobicContact CZ-CB 4.05Å
341	L	97.8	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.3	-179.9	-57.4	179.2	0	0	0	110	I85 F339 D352 V355 L470 A487 Q488 A490	I85-L341 HydrophobicContact CD1-CD2 3.19Å; I85-L341 HydrophobicContact CD1-CG 4.45Å; F339-L341 PolarHBondContact O-N 2.81Å; L341-D352 HydrophobicContact CB-CB 4.1Å; L341-V355 HydrophobicContact CD1-CB 4.33Å; L341-V355 HydrophobicContact CD1-CG1 3.95Å; L341-V355 HydrophobicContact CD2-CB 3.96Å; L341-V355 HydrophobicContact CD2-CG1 4Å; L341-V355 HydrophobicContact CD2-CG2 3.75Å; L341-L470 HydrophobicContact CD1-CD2 4.06Å; L341-A487 WeakPolarHBondContact O-CA 3.45Å; L341-Q488 WeakPolarHBondContact CA-O 3.29Å; L341-Q488 HydrophobicContact CB-CG 3.74Å; L341-Q488 HydrophobicContact CD1-CG 3.92Å; L341-Q488 HydrophobicContact CG-CG 4.33Å; L341-Q488 PolarHBondContact N-O 3.49Å; L341-Q488 PolarHBondContact O-N 2.52Å; L341-A490 HydrophobicContact CD1-CB 4.3Å
342	V	97.6	Very high	92.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.3	-179.2	-179.1	0	0	0	0	110.5	F259 L263 I305 M344 I349 M351 D352	F259-V342 HydrophobicContact CZ-CG2 4.22Å; L263-V342 HydrophobicContact CD1-CG2 4.23Å; L263-V342 HydrophobicContact CD2-CG2 3.9Å; I305-V342 HydrophobicContact CG2-CG1 4.36Å; V342-M344 HydrophobicContact CG1-CE 3.67Å; V342-M344 HydrophobicContact CG1-CG 3.85Å; V342-M344 HydrophobicContact CG1-SD 4.06Å; V342-I349 HydrophobicContact CB-CG2 4.39Å; V342-I349 HydrophobicContact CG1-CG2 4.07Å; V342-M351 HydrophobicContact CB-CE 4.44Å; V342-M351 PolarHBondContact O-N 3.12Å; V342-D352 PolarHBondContact O-N 3.46Å
343	Q	97.4	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.2	173.7	-168.3	57.8	28.8	0	0	110.1	R350 D352 S480 V481 E486	Q343-R350 VanDerWaalsContact OE1-CA 3.31Å; Q343-D352 HydrophobicContact CB-CB 3.78Å; Q343-D352 HydrophobicContact CG-CB 4.47Å; Q343-S480 VanDerWaalsContact CG-O 3.31Å; Q343-S480 WeakPolarHBondContact CG-O 3.47Å; Q343-V481 PolarHBondContact NE2-O 3.44Å; Q343-E486 HydrophobicContact CB-CB 4.06Å; Q343-E486 PolarHBondContact N-O 2.87Å; Q343-E486 PolarHBondContact O-N 2.74Å
344	M	97.4	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	69	175.7	-50.2	180	175.4	0	0	109.1	I219 L263 V267 I305 V342 P346 L347 G348 I349 L485	I219-M344 HydrophobicContact CD1-CE 3.87Å; L263-M344 HydrophobicContact CD1-CE 4.23Å; V267-M344 HydrophobicContact CG2-CE 3.81Å; I305-M344 HydrophobicContact CD1-CE 4.16Å; I305-M344 HydrophobicContact CD1-SD 4.25Å; I305-M344 HydrophobicContact CG1-SD 4.03Å; I305-M344 HydrophobicContact CG2-SD 4.24Å; V342-M344 HydrophobicContact CG1-CE 3.67Å; V342-M344 HydrophobicContact CG1-CG 3.85Å; V342-M344 HydrophobicContact CG1-SD 4.06Å; M344-P346 VanDerWaalsContact C-CD 3.45Å; M344-L347 HydrophobicContact CB-CB 4.18Å; M344-L347 HydrophobicContact CB-CD1 4.14Å; M344-L347 HydrophobicContact CB-CG 4.26Å; M344-L347 CarbonylContact O-C 3.59Å; M344-L347 WeakPolarHBondContact O-CA 3.06Å; M344-L347 WeakPolarHBondContact O-CB 3.43Å; M344-L347 PolarHBondContact O-N 3.03Å; M344-L347 HydrophobicContact SD-CD1 3.93Å; M344-G348 PolarHBondContact O-N 3.2Å; M344-I349 CarbonylContact C-O 3.51Å; M344-I349 HydrophobicContact CB-CB 4.06Å; M344-I349 HydrophobicContact CB-CD1 4.42Å; M344-I349 PolarHBondContact N-O 2.79Å; M344-I349 PolarHBondContact O-N 3.35Å; M344-I349 HydrophobicContact SD-CD1 4.3Å; M344-L485 HydrophobicContact CB-CG 4.26Å; M344-L485 HydrophobicContact CE-CB 4.36Å; M344-L485 HydrophobicContact CE-CD2 4.46Å; M344-L485 HydrophobicContact CE-CG 4.31Å; M344-L485 HydrophobicContact CG-CB 4.2Å; M344-L485 HydrophobicContact CG-CG 3.85Å; M344-L485 HydrophobicContact SD-CD2 4.31Å; M344-L485 HydrophobicContact SD-CG 4Å
345	K	94.6	Very high	96.1	Very high	53 Å²	53	19.5 Å²	19.5	23%	0.23	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-60.5	-33.9	-174.5	-163.6	174.2	-156	139.6	0	114.7	L347 G348 I349 R350 E353 V481 H482	K345-L347 PolarHBondContact O-N 3.29Å; K345-L347 VanDerWaalsContact O-N 3.12Å; K345-G348 PolarHBondContact O-N 3.36Å; K345-I349 PolarHBondContact N-O 3.03Å; K345-R350 HydrophobicContact CG-CG 4.37Å; K345-E353 IonicContact NZ-OE1 2.98Å; K345-E353 PolarHBondContact NZ-OE1 3.02Å; K345-E353 IonicContact NZ-OE2 3.45Å; K345-E353 PolarHBondContact NZ-OE2 3.25Å; K345-V481 VanDerWaalsContact CB-O 3.3Å; K345-V481 WeakPolarHBondContact CB-O 3.48Å; K345-V481 WeakPolarHBondContact CD-O 3.23Å; K345-H482 HydrophobicContact CD-CB 4.04Å; K345-H482 VanDerWaalsContact CD-ND1 3.34Å; K345-H482 WeakPolarHBondContact CD-ND1 3.32Å; K345-H482 WeakPolarHBondContact CE-ND1 3.49Å; K345-H482 PolarHBondContact NZ-CE1 3.46Å; K345-H482 PolarHBondContact NZ-ND1 2.9Å
346	P	91.9	Very high	96.4	Very high	21 Å²	21	18.3 Å²	18.3	14%	0.136	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58.8	-21	170.7	-25.7	35.7	0	0	0	114.2	S298 M344 R483	S298-P346 PolarHBondContact OG-O 3.45Å; M344-P346 VanDerWaalsContact C-CD 3.45Å; P346-R483 WeakPolarHBondContact CG-O 3.29Å
347	L	95.3	Very high	96.5	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-102.6	5.3	175.1	-51.2	-176.9	0	0	0	112.4	F270 F297 A301 R302 M344 K345 I349	F270-L347 HydrophobicContact CZ-CD1 4.24Å; F297-L347 HydrophobicContact CE1-CD2 4.43Å; A301-L347 HydrophobicContact CB-CD1 3.97Å; A301-L347 HydrophobicContact CB-CD2 3.97Å; R302-L347 HydrophobicContact CB-CB 4.43Å; R302-L347 WeakPolarHBondContact CB-O 2.87Å; R302-L347 WeakPolarHBondContact CD-O 3.26Å; R302-L347 VanDerWaalsContact CG-O 3.24Å; R302-L347 WeakPolarHBondContact CG-O 3.42Å; M344-L347 HydrophobicContact CB-CB 4.18Å; M344-L347 HydrophobicContact CB-CD1 4.14Å; M344-L347 HydrophobicContact CB-CG 4.26Å; M344-L347 CarbonylContact O-C 3.59Å; M344-L347 WeakPolarHBondContact O-CA 3.06Å; M344-L347 WeakPolarHBondContact O-CB 3.43Å; M344-L347 PolarHBondContact O-N 3.03Å; M344-L347 HydrophobicContact SD-CD1 3.93Å; K345-L347 PolarHBondContact O-N 3.29Å; K345-L347 VanDerWaalsContact O-N 3.12Å; L347-I349 HydrophobicContact CB-CD1 4.47Å; L347-I349 HydrophobicContact CB-CG1 4.46Å
348	G	95.6	Very high	96.5	Very high	34 Å²	34	24.3 Å²	24.3	35%	0.351	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	18.2	-179.1	0	0	0	0	0	115.1	M344 K345	M344-G348 PolarHBondContact O-N 3.2Å; K345-G348 PolarHBondContact O-N 3.36Å
349	I	96.9	Very high	96.4	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.9	179.6	-55.7	176.8	0	0	0	109.4	R302 I305 M306 V342 M344 K345 L347 M351	R302-I349 HydrophobicContact CG-CD1 4.47Å; R302-I349 HydrophobicContact CG-CG1 4.26Å; I305-I349 HydrophobicContact CB-CD1 3.7Å; I305-I349 HydrophobicContact CG1-CD1 4.4Å; I305-I349 HydrophobicContact CG2-CD1 3.46Å; I305-I349 VanDerWaalsContact CG2-CD1 3.46Å; M306-I349 HydrophobicContact CG-CD1 4.44Å; M306-I349 HydrophobicContact SD-CD1 4.21Å; M306-I349 HydrophobicContact SD-CG1 4.17Å; V342-I349 HydrophobicContact CB-CG2 4.39Å; V342-I349 HydrophobicContact CG1-CG2 4.07Å; M344-I349 CarbonylContact C-O 3.51Å; M344-I349 HydrophobicContact CB-CB 4.06Å; M344-I349 HydrophobicContact CB-CD1 4.42Å; M344-I349 PolarHBondContact N-O 2.79Å; M344-I349 PolarHBondContact O-N 3.35Å; M344-I349 HydrophobicContact SD-CD1 4.3Å; K345-I349 PolarHBondContact N-O 3.03Å; L347-I349 HydrophobicContact CB-CD1 4.47Å; L347-I349 HydrophobicContact CB-CG1 4.46Å; I349-M351 HydrophobicContact CG2-CE 3.42Å; I349-M351 VanDerWaalsContact CG2-CE 3.42Å
350	R	96.8	Very high	96.3	Very high	88 Å²	88	24.4 Å²	24.4	33%	0.332	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	23.3	-169	-61.7	179	62.4	-141.9	-1.2	114.3	Q343 K345 D352 E353 Q354	Q343-R350 VanDerWaalsContact OE1-CA 3.31Å; K345-R350 HydrophobicContact CG-CG 4.37Å; R350-D352 PolarHBondContact O-N 3.48Å; R350-E353 IonicContact CZ-OE1 3.74Å; R350-E353 IonicContact CZ-OE2 3.37Å; R350-E353 IonicContact NE-OE1 3.86Å; R350-E353 IonicContact NE-OE2 2.76Å; R350-E353 PolarHBondContact NE-OE2 3.24Å; R350-E353 IonicContact NH2-OE1 2.79Å; R350-E353 PolarHBondContact NH2-OE1 3.46Å; R350-E353 IonicContact NH2-OE2 3.15Å; R350-E353 PolarHBondContact NH2-OE2 3.26Å; R350-E353 VanDerWaalsContact NH2-OE2 3.15Å; R350-E353 PolarHBondContact O-N 3.06Å; R350-Q354 VanDerWaalsContact O-CG 3.29Å; R350-Q354 WeakPolarHBondContact O-CG 3.07Å; R350-Q354 PolarHBondContact O-N 3.16Å
351	M	95.8	Very high	96.2	Very high	19 Å²	19	27.6 Å²	27.6	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-47.2	-171.1	-68.8	175.1	-117.7	0	0	111.4	I85 M306 V309 V342 I349 Q354 V355	I85-M351 HydrophobicContact CG2-CB 4.17Å; I85-M351 HydrophobicContact CG2-CG 4.19Å; I85-M351 HydrophobicContact CG2-SD 4.05Å; M306-M351 HydrophobicContact CE-CE 4.06Å; M306-M351 HydrophobicContact SD-CE 3.62Å; V309-M351 HydrophobicContact CB-CE 4.39Å; V309-M351 HydrophobicContact CG1-CE 4.04Å; V309-M351 HydrophobicContact CG1-SD 3.94Å; V309-M351 HydrophobicContact CG2-CE 3.89Å; V309-M351 HydrophobicContact CG2-SD 4.46Å; V342-M351 HydrophobicContact CB-CE 4.44Å; V342-M351 PolarHBondContact O-N 3.12Å; I349-M351 HydrophobicContact CG2-CE 3.42Å; I349-M351 VanDerWaalsContact CG2-CE 3.42Å; M351-Q354 PolarHBondContact O-N 3.39Å; M351-V355 WeakPolarHBondContact O-CG2 3.26Å; M351-V355 PolarHBondContact O-N 2.81Å
352	D	96.9	Very high	95.9	Very high	2 Å²	2	30 Å²	30	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-57.4	-50.6	176.4	173.1	39.1	0	0	0	113	L341 V342 Q343 R350 Q354 V355 T356 Q488	L341-D352 HydrophobicContact CB-CB 4.1Å; V342-D352 PolarHBondContact O-N 3.46Å; Q343-D352 HydrophobicContact CB-CB 3.78Å; Q343-D352 HydrophobicContact CG-CB 4.47Å; R350-D352 PolarHBondContact O-N 3.48Å; D352-Q354 VanDerWaalsContact C-N 3.26Å; D352-Q354 PolarHBondContact O-N 3.24Å; D352-V355 PolarHBondContact O-N 3.43Å; D352-T356 VanDerWaalsContact O-CB 3.31Å; D352-T356 WeakPolarHBondContact O-CB 3.14Å; D352-T356 PolarHBondContact O-N 2.74Å; D352-T356 PolarHBondContact O-OG1 3.15Å; D352-T356 PolarHBondContact OD1-OG1 3.23Å; D352-Q488 VanDerWaalsContact OD1-CD 3.28Å; D352-Q488 PolarHBondContact OD1-NE2 3.05Å
353	E	96.5	Very high	95.6	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-42.4	178.3	-177	-173.2	172	0	0	111.2	K345 R350 Q357 V481	K345-E353 IonicContact NZ-OE1 2.98Å; K345-E353 PolarHBondContact NZ-OE1 3.02Å; K345-E353 IonicContact NZ-OE2 3.45Å; K345-E353 PolarHBondContact NZ-OE2 3.25Å; R350-E353 IonicContact CZ-OE1 3.74Å; R350-E353 IonicContact CZ-OE2 3.37Å; R350-E353 IonicContact NE-OE1 3.86Å; R350-E353 IonicContact NE-OE2 2.76Å; R350-E353 PolarHBondContact NE-OE2 3.24Å; R350-E353 IonicContact NH2-OE1 2.79Å; R350-E353 PolarHBondContact NH2-OE1 3.46Å; R350-E353 IonicContact NH2-OE2 3.15Å; R350-E353 PolarHBondContact NH2-OE2 3.26Å; R350-E353 VanDerWaalsContact NH2-OE2 3.15Å; R350-E353 PolarHBondContact O-N 3.06Å; E353-Q357 WeakPolarHBondContact O-CB 2.9Å; E353-Q357 WeakPolarHBondContact O-CG 3.26Å; E353-Q357 PolarHBondContact O-N 3.08Å; E353-V481 HydrophobicContact CB-CG1 4.26Å; E353-V481 VanDerWaalsContact CD-CG1 3.4Å; E353-V481 HydrophobicContact CG-CG1 3.78Å
354	Q	96.4	Very high	95.2	Very high	91 Å²	91	31.2 Å²	31.2	43%	0.425	16%	0.161	S	C	.	.	H	α-helix	trans	-68	-47.2	-179.4	-71.8	170.2	-27.1	0	0	112.2	R350 M351 D352 Q357 R358	R350-Q354 VanDerWaalsContact O-CG 3.29Å; R350-Q354 WeakPolarHBondContact O-CG 3.07Å; R350-Q354 PolarHBondContact O-N 3.16Å; M351-Q354 PolarHBondContact O-N 3.39Å; D352-Q354 VanDerWaalsContact C-N 3.26Å; D352-Q354 PolarHBondContact O-N 3.24Å; Q354-Q357 PolarHBondContact O-N 3.32Å; Q354-R358 WeakPolarHBondContact O-CB 3.16Å; Q354-R358 PolarHBondContact O-N 2.74Å
355	V	96.8	Very high	94.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-46.3	179	169.8	0	0	0	0	110.9	W80 M81 I85 L341 M351 D352 Q357 R358 L359	W80-V355 HydrophobicContact CH2-CB 4.28Å; W80-V355 HydrophobicContact CH2-CG1 3.85Å; W80-V355 HydrophobicContact CH2-CG2 4.4Å; W80-V355 HydrophobicContact CZ3-CG1 4.41Å; W80-V355 HydrophobicContact CZ3-CG2 4.17Å; M81-V355 HydrophobicContact CG-CG1 4.22Å; M81-V355 HydrophobicContact SD-CG1 3.71Å; I85-V355 HydrophobicContact CD1-CG2 4.11Å; L341-V355 HydrophobicContact CD1-CB 4.33Å; L341-V355 HydrophobicContact CD1-CG1 3.95Å; L341-V355 HydrophobicContact CD2-CB 3.96Å; L341-V355 HydrophobicContact CD2-CG1 4Å; L341-V355 HydrophobicContact CD2-CG2 3.75Å; M351-V355 WeakPolarHBondContact O-CG2 3.26Å; M351-V355 PolarHBondContact O-N 2.81Å; D352-V355 PolarHBondContact O-N 3.43Å; V355-Q357 VanDerWaalsContact C-N 3.35Å; V355-Q357 PolarHBondContact O-N 2.94Å; V355-R358 PolarHBondContact O-N 2.91Å; V355-L359 HydrophobicContact CG1-CD1 4.03Å; V355-L359 HydrophobicContact CG1-CG 4.43Å; V355-L359 WeakPolarHBondContact O-CG 3.47Å; V355-L359 PolarHBondContact O-N 3.35Å
356	T	96.9	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-42.4	177.8	-61.1	0	0	0	0	111.5	D352 R358 L359 L360 Y382 F476	D352-T356 VanDerWaalsContact O-CB 3.31Å; D352-T356 WeakPolarHBondContact O-CB 3.14Å; D352-T356 PolarHBondContact O-N 2.74Å; D352-T356 PolarHBondContact O-OG1 3.15Å; D352-T356 PolarHBondContact OD1-OG1 3.23Å; T356-R358 VanDerWaalsContact C-N 3.35Å; T356-R358 PolarHBondContact O-N 3.39Å; T356-L359 PolarHBondContact O-N 3.46Å; T356-L360 HydrophobicContact CG2-CD1 4.22Å; T356-L360 WeakPolarHBondContact O-CG 3.39Å; T356-L360 PolarHBondContact O-N 3.16Å; T356-L360 VanDerWaalsContact O-N 3.1Å; T356-Y382 HydrophobicContact CG2-CD1 4.49Å; T356-Y382 HydrophobicContact CG2-CE1 3.89Å; T356-Y382 HydrophobicContact CG2-CE2 4.47Å; T356-F476 HydrophobicContact CG2-CD1 3.98Å; T356-F476 HydrophobicContact CG2-CE1 3.85Å
357	Q	96.7	Very high	94.7	Very high	53 Å²	53	37.6 Å²	37.6	25%	0.248	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-43.5	174.9	-76.4	178.8	-2.7	0	0	111.8	E353 Q354 V355 L360 T361 Y382 L385	E353-Q357 WeakPolarHBondContact O-CB 2.9Å; E353-Q357 WeakPolarHBondContact O-CG 3.26Å; E353-Q357 PolarHBondContact O-N 3.08Å; Q354-Q357 PolarHBondContact O-N 3.32Å; V355-Q357 VanDerWaalsContact C-N 3.35Å; V355-Q357 PolarHBondContact O-N 2.94Å; Q357-L360 PolarHBondContact O-N 3.12Å; Q357-T361 WeakPolarHBondContact O-CB 3.35Å; Q357-T361 PolarHBondContact O-N 3.34Å; Q357-T361 PolarHBondContact O-OG1 2.91Å; Q357-Y382 HydrophobicContact CG-CD1 4.2Å; Q357-Y382 HydrophobicContact CG-CE1 3.68Å; Q357-L385 HydrophobicContact CB-CD1 4.06Å; Q357-L385 HydrophobicContact CG-CD1 4.02Å
358	R	96.1	Very high	94.8	Very high	121 Å²	121	39.4 Å²	39.4	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-65.6	-44	-180	-177.1	64.5	-175.6	-169.9	14.5	111.8	W80 Q354 V355 T356 L360 T361 D362	W80-R358 HydrophobicContact CD2-CG 4.17Å; W80-R358 HydrophobicContact CE3-CG 4.03Å; W80-R358 HydrophobicContact CH2-CB 3.54Å; W80-R358 HydrophobicContact CH2-CG 3.52Å; W80-R358 HydrophobicContact CZ2-CB 4.06Å; W80-R358 HydrophobicContact CZ2-CG 3.65Å; W80-R358 HydrophobicContact CZ3-CB 3.89Å; W80-R358 HydrophobicContact CZ3-CG 3.71Å; Q354-R358 WeakPolarHBondContact O-CB 3.16Å; Q354-R358 PolarHBondContact O-N 2.74Å; V355-R358 PolarHBondContact O-N 2.91Å; T356-R358 VanDerWaalsContact C-N 3.35Å; T356-R358 PolarHBondContact O-N 3.39Å; R358-L360 VanDerWaalsContact C-N 3.35Å; R358-L360 PolarHBondContact O-N 3.12Å; R358-T361 WeakPolarHBondContact O-CB 3.36Å; R358-T361 PolarHBondContact O-N 2.81Å; R358-T361 VanDerWaalsContact O-N 3.12Å; R358-D362 IonicContact CZ-OD1 3.1Å; R358-D362 IonicContact CZ-OD2 3.14Å; R358-D362 IonicContact NE-OD1 3.06Å; R358-D362 PolarHBondContact NE-OD1 2.7Å; R358-D362 IonicContact NE-OD2 2.69Å; R358-D362 PolarHBondContact NE-OD2 3.35Å; R358-D362 IonicContact NH1-OD1 3.81Å; R358-D362 IonicContact NH2-OD1 3.14Å; R358-D362 PolarHBondContact NH2-OD1 3.19Å; R358-D362 VanDerWaalsContact NH2-OD1 3.14Å; R358-D362 IonicContact NH2-OD2 2.88Å; R358-D362 PolarHBondContact NH2-OD2 3.37Å; R358-D362 WeakPolarHBondContact O-CB 3.45Å; R358-D362 PolarHBondContact O-N 3.04Å
359	L	95.4	Very high	94.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-56.6	-46.4	174.5	-76.1	170.7	0	0	0	112.2	F78 W80 V355 T356 T361 A363 L468 L470	F78-L359 HydrophobicContact CD1-CD2 3.93Å; F78-L359 HydrophobicContact CE1-CD2 3.83Å; W80-L359 HydrophobicContact CH2-CG 4.26Å; W80-L359 HydrophobicContact CZ2-CD2 3.84Å; W80-L359 HydrophobicContact CZ2-CG 3.93Å; V355-L359 HydrophobicContact CG1-CD1 4.03Å; V355-L359 HydrophobicContact CG1-CG 4.43Å; V355-L359 WeakPolarHBondContact O-CG 3.47Å; V355-L359 PolarHBondContact O-N 3.35Å; T356-L359 PolarHBondContact O-N 3.46Å; L359-T361 VanDerWaalsContact C-N 3.3Å; L359-T361 PolarHBondContact O-N 3.49Å; L359-A363 PolarHBondContact O-N 3.36Å; L359-L468 HydrophobicContact CD1-CD1 4.35Å; L359-L468 HydrophobicContact CD1-CD2 4.39Å; L359-L468 HydrophobicContact CD2-CD1 3.7Å; L359-L470 HydrophobicContact CD1-CD1 4.04Å; L359-L470 HydrophobicContact CD1-CD2 3.99Å; L359-L470 HydrophobicContact CD1-CG 4.29Å
360	L	95.8	Very high	94.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-70.3	-27.3	178.2	-65.5	175.6	0	0	0	113.1	T356 Q357 R358 Y382 L385 T389 Y393	T356-L360 HydrophobicContact CG2-CD1 4.22Å; T356-L360 WeakPolarHBondContact O-CG 3.39Å; T356-L360 PolarHBondContact O-N 3.16Å; T356-L360 VanDerWaalsContact O-N 3.1Å; Q357-L360 PolarHBondContact O-N 3.12Å; R358-L360 VanDerWaalsContact C-N 3.35Å; R358-L360 PolarHBondContact O-N 3.12Å; L360-Y382 HydrophobicContact CD1-CD1 3.96Å; L360-Y382 HydrophobicContact CD1-CG 4.28Å; L360-L385 HydrophobicContact CB-CB 4.02Å; L360-L385 HydrophobicContact CB-CD1 4.01Å; L360-L385 HydrophobicContact CD1-CD1 4.4Å; L360-T389 WeakPolarHBondContact O-CG2 3.4Å; L360-T389 PolarHBondContact O-OG1 2.95Å; L360-Y393 HydrophobicContact CD2-CE1 3.73Å; L360-Y393 PolarHBondContact O-OH 3.18Å
361	T	95.1	Very high	95	Very high	69 Å²	69	35.1 Å²	35.1	42%	0.423	19%	0.188	S	C	.	.	H	α-helix	trans	-75.6	-43.3	178	-58.5	0	0	0	0	111.3	Q357 R358 L359 A363 L385	Q357-T361 WeakPolarHBondContact O-CB 3.35Å; Q357-T361 PolarHBondContact O-N 3.34Å; Q357-T361 PolarHBondContact O-OG1 2.91Å; R358-T361 WeakPolarHBondContact O-CB 3.36Å; R358-T361 PolarHBondContact O-N 2.81Å; R358-T361 VanDerWaalsContact O-N 3.12Å; L359-T361 VanDerWaalsContact C-N 3.3Å; L359-T361 PolarHBondContact O-N 3.49Å; T361-A363 PolarHBondContact O-N 2.79Å; T361-L385 WeakPolarHBondContact OG1-CD2 3.21Å
362	D	91.9	Very high	95.1	Very high	50 Å²	50	34.2 Å²	34.2	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-79.6	-7	-177.6	-70.1	3.7	0	0	0	112.3	R358 G364	R358-D362 IonicContact CZ-OD1 3.1Å; R358-D362 IonicContact CZ-OD2 3.14Å; R358-D362 IonicContact NE-OD1 3.06Å; R358-D362 PolarHBondContact NE-OD1 2.7Å; R358-D362 IonicContact NE-OD2 2.69Å; R358-D362 PolarHBondContact NE-OD2 3.35Å; R358-D362 IonicContact NH1-OD1 3.81Å; R358-D362 IonicContact NH2-OD1 3.14Å; R358-D362 PolarHBondContact NH2-OD1 3.19Å; R358-D362 VanDerWaalsContact NH2-OD1 3.14Å; R358-D362 IonicContact NH2-OD2 2.88Å; R358-D362 PolarHBondContact NH2-OD2 3.37Å; R358-D362 WeakPolarHBondContact O-CB 3.45Å; R358-D362 PolarHBondContact O-N 3.04Å; D362-G364 PolarHBondContact O-N 3.5Å
363	A	91.9	Very high	95	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	18%	0.184	C	C	.	.			trans	-64.8	94	174.2	0	0	0	0	0	111.9	L359 T361 V369 A391 Y458	L359-A363 PolarHBondContact O-N 3.36Å; T361-A363 PolarHBondContact O-N 2.79Å; A363-V369 HydrophobicContact CB-CG2 4.4Å; A363-A391 HydrophobicContact CB-CB 3.65Å; A363-A391 PolarHBondContact O-N 3.24Å; A363-Y458 VanDerWaalsContact CA-OH 3.28Å; A363-Y458 WeakPolarHBondContact CA-OH 3.39Å; A363-Y458 HydrophobicContact CB-CE2 3.99Å
364	G	87.9	Confident	94.8	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	18%	0.181	S	C	.	.			trans	-73.2	170.7	179.5	0	0	0	0	0	113.6	D362 D366 S367 A391	D362-G364 PolarHBondContact O-N 3.5Å; G364-D366 PolarHBondContact O-N 3.26Å; G364-S367 PolarHBondContact O-N 3.24Å; G364-A391 WeakPolarHBondContact O-CA 3.39Å; G364-A391 WeakPolarHBondContact O-CB 2.85Å; G364-A391 PolarHBondContact O-N 3.18Å
365	P	89.1	Confident	94.4	Very high	98 Å²	98	30.7 Å²	30.7	64%	0.636	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.9	-179.2	-25.3	34.6	0	0	0	115.2	G390	P365-G390 WeakPolarHBondContact CA-O 3.12Å
366	D	89.1	Confident	94.2	Very high	101 Å²	101	30.8 Å²	30.8	54%	0.54	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.8	-174.5	-66.7	-43.8	0	0	0	113.3	G364 W461	G364-D366 PolarHBondContact O-N 3.26Å; D366-W461 HydrophobicContact CB-CB 3.65Å; D366-W461 HydrophobicContact CB-CG 3.64Å; D366-W461 VanDerWaalsContact O-CA 3.27Å; D366-W461 WeakPolarHBondContact O-CA 3.42Å; D366-W461 WeakPolarHBondContact O-CB 3.09Å; D366-W461 PolarHBondContact O-N 3.23Å
367	S	94.9	Very high	93.9	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.063	17%	0.167	C	C	.	.			trans	-97.8	149	177.5	-58.5	0	0	0	0	111.6	G364 A391 S392 Y458 Y459	G364-S367 PolarHBondContact O-N 3.24Å; S367-A391 WeakPolarHBondContact O-CA 3.38Å; S367-A391 WeakPolarHBondContact O-CB 3.12Å; S367-S392 PolarHBondContact O-N 2.86Å; S367-Y458 VanDerWaalsContact CB-OH 3.32Å; S367-Y458 WeakPolarHBondContact CB-OH 3.17Å; S367-Y458 PolarHBondContact OG-OH 3.34Å; S367-Y459 WeakPolarHBondContact CA-O 3.46Å
368	T	97.3	Very high	93.8	Very high	43 Å²	43	28.4 Å²	28.4	26%	0.264	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.7	171.6	-58.3	0	0	0	0	109.9	F370 S392 Y459	T368-F370 HydrophobicContact CG2-CD2 3.91Å; T368-F370 HydrophobicContact CG2-CE2 3.49Å; T368-F370 VanDerWaalsContact CG2-CE2 3.49Å; T368-F370 HydrophobicContact CG2-CZ 4.33Å; T368-S392 CarbonylContact C-O 3.54Å; T368-S392 WeakPolarHBondContact CA-O 3.41Å; T368-Y459 PolarHBondContact N-O 3.49Å; T368-Y459 WeakPolarHBondContact O-CD2 3.42Å; T368-Y459 PolarHBondContact O-N 2.77Å
369	V	98.1	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.1	179.6	-177.2	0	0	0	0	109.7	A363 S392 Y393 H394 L456 W457 Y458	A363-V369 HydrophobicContact CB-CG2 4.4Å; V369-S392 PolarHBondContact N-O 3Å; V369-Y393 HydrophobicContact CB-CD1 3.69Å; V369-Y393 HydrophobicContact CB-CE1 3.72Å; V369-Y393 HydrophobicContact CG1-CD1 4.1Å; V369-Y393 HydrophobicContact CG1-CE1 4.08Å; V369-Y393 HydrophobicContact CG2-CD1 4.38Å; V369-Y393 HydrophobicContact CG2-CE1 3.95Å; V369-Y393 WeakPolarHBondContact O-CA 3.12Å; V369-H394 PolarHBondContact O-N 3.29Å; V369-L456 HydrophobicContact CG1-CB 4.25Å; V369-L456 HydrophobicContact CG1-CD2 4.38Å; V369-W457 WeakPolarHBondContact CA-O 3.41Å; V369-Y458 HydrophobicContact CG2-CD2 3.63Å; V369-Y458 HydrophobicContact CG2-CE2 3.74Å; V369-Y458 HydrophobicContact CG2-CG 4.36Å
370	F	98.5	Very high	93.7	Very high	32 Å²	32	32 Å²	32	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.7	167.6	-72.7	-98.4	0	0	0	108	T368 H394 L456 W457 Y459 Q506 Y510	T368-F370 HydrophobicContact CG2-CD2 3.91Å; T368-F370 HydrophobicContact CG2-CE2 3.49Å; T368-F370 VanDerWaalsContact CG2-CE2 3.49Å; T368-F370 HydrophobicContact CG2-CZ 4.33Å; F370-H394 CarbonylContact C-O 3.47Å; F370-H394 WeakPolarHBondContact CA-O 3.48Å; F370-H394 HydrophobicContact CD1-CB 3.42Å; F370-H394 VanDerWaalsContact CD1-CB 3.42Å; F370-H394 AromaticContact CD1-CG 3.96Å; F370-H394 HydrophobicContact CE1-CB 3.51Å; F370-H394 AromaticContact CE1-CD2 3.8Å; F370-H394 AromaticContact CE1-CG 3.53Å; F370-H394 HydrophobicContact CG-CB 4.09Å; F370-H394 HydrophobicContact CZ-CB 4.25Å; F370-H394 AromaticContact CZ-CD2 3.64Å; F370-H394 AromaticContact CZ-CG 3.87Å; F370-L456 CarbonylContact O-C 3.57Å; F370-L456 WeakPolarHBondContact O-CA 3.37Å; F370-L456 VanDerWaalsContact O-CB 3.26Å; F370-L456 WeakPolarHBondContact O-CB 3.48Å; F370-W457 HydrophobicContact CB-CB 4.37Å; F370-W457 HydrophobicContact CB-CE3 3.85Å; F370-W457 PolarHBondContact N-O 3.05Å; F370-W457 PolarHBondContact O-N 2.78Å; F370-Y459 AromaticContact CD2-CD2 3.95Å; F370-Y459 HydrophobicContact CD2-CD2 3.95Å; F370-Y459 AromaticContact CD2-CE2 3.46Å; F370-Y459 HydrophobicContact CD2-CE2 3.46Å; F370-Y459 VanDerWaalsContact CD2-CE2 3.46Å; F370-Y459 HydrophobicContact CE2-CD2 4.35Å; F370-Y459 AromaticContact CE2-CE2 3.95Å; F370-Y459 HydrophobicContact CE2-CE2 3.95Å; F370-Y459 HydrophobicContact CG-CE2 4.43Å; F370-Q506 HydrophobicContact CB-CG 4.07Å; F370-Q506 HydrophobicContact CD1-CG 4.21Å; F370-Q506 VanDerWaalsContact CE1-NE2 3.25Å; F370-Q506 HydrophobicContact CG-CG 4.03Å; F370-Y510 HydrophobicContact CB-CE2 4.22Å; F370-Y510 HydrophobicContact CD1-CD1 4.03Å; F370-Y510 HydrophobicContact CD1-CD2 4.19Å; F370-Y510 AromaticContact CD1-CE1 3.6Å; F370-Y510 HydrophobicContact CD1-CE1 3.6Å; F370-Y510 AromaticContact CD1-CE2 3.78Å; F370-Y510 HydrophobicContact CD1-CE2 3.78Å; F370-Y510 HydrophobicContact CD1-CG 4.3Å; F370-Y510 AromaticContact CD1-CZ 3.46Å; F370-Y510 VanDerWaalsContact CD1-CZ 3.46Å; F370-Y510 HydrophobicContact CE1-CD1 4.16Å; F370-Y510 HydrophobicContact CE1-CE1 4.07Å; F370-Y510 HydrophobicContact CG-CE2 4.47Å
371	L	98.1	Very high	93.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133	179.2	-176	153.5	0	0	0	109.3	L378 H394 I395 L396 L456 Y510	L371-L378 HydrophobicContact CD2-CD1 4.4Å; L371-L378 HydrophobicContact CD2-CD2 3.98Å; L371-H394 PolarHBondContact N-O 3.05Å; L371-I395 HydrophobicContact CB-CG1 4.44Å; L371-I395 HydrophobicContact CD2-CG2 4.02Å; L371-I395 CarbonylContact O-C 3.58Å; L371-I395 VanDerWaalsContact O-CA 3.27Å; L371-I395 WeakPolarHBondContact O-CA 3.42Å; L371-L396 PolarHBondContact O-N 3.06Å; L371-L456 HydrophobicContact CB-CB 4.45Å; L371-Y510 PolarHBondContact N-OH 3.5Å; L371-Y510 PolarHBondContact O-OH 3.34Å; L371-Y510 VanDerWaalsContact O-OH 3.13Å
372	T	97.8	Very high	93.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.4	172	-167.5	0	0	0	0	112.5	L396 F451 A453 K454 G455 W457	T372-L396 VanDerWaalsContact CA-O 3.32Å; T372-L396 WeakPolarHBondContact CA-O 3.27Å; T372-L396 PolarHBondContact OG1-O 2.7Å; T372-F451 VanDerWaalsContact OG1-CZ 3.31Å; T372-F451 WeakPolarHBondContact OG1-CZ 3.17Å; T372-A453 HydrophobicContact CG2-CB 3.99Å; T372-K454 WeakPolarHBondContact O-CA 3.14Å; T372-G455 PolarHBondContact N-O 3.43Å; T372-G455 PolarHBondContact O-N 3.28Å; T372-W457 HydrophobicContact CG2-CH2 3.72Å; T372-W457 HydrophobicContact CG2-CZ3 3.73Å
373	S	95.1	Very high	94	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.4	172.6	173.8	0	0	0	0	109.3	Y375 L396 T397 A453 N475	S373-Y375 WeakPolarHBondContact CB-O 3.32Å; S373-Y375 PolarHBondContact O-N 2.97Å; S373-Y375 PolarHBondContact OG-O 2.91Å; S373-L396 PolarHBondContact N-O 3.22Å; S373-T397 WeakPolarHBondContact O-CA 2.98Å; S373-A453 CarbonylContact C-O 3.51Å; S373-A453 VanDerWaalsContact CA-O 3.26Å; S373-A453 WeakPolarHBondContact CA-O 3.42Å; S373-N475 PolarHBondContact OG-O 2.9Å
374	G	90.9	Very high	94.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-55.5	-20.9	178.3	0	0	0	0	0	114	A398 A453	G374-A398 WeakPolarHBondContact O-CB 3.35Å; G374-A453 PolarHBondContact N-O 3.24Å
375	Y	88.1	Confident	94.7	Very high	29 Å²	29	36.5 Å²	36.5	11%	0.114	18%	0.179	C	C	.	.	S	Bend	trans	-155.2	152.5	172.2	37	-89.2	0	0	0	110.9	S373 N377 Y419 N475 F543	S373-Y375 WeakPolarHBondContact CB-O 3.32Å; S373-Y375 PolarHBondContact O-N 2.97Å; S373-Y375 PolarHBondContact OG-O 2.91Å; Y375-N377 HydrophobicContact CD2-CB 3.78Å; Y375-N377 HydrophobicContact CE2-CB 4.15Å; Y375-N377 PolarHBondContact O-N 3.48Å; Y375-Y419 VanDerWaalsContact CB-CD2 3.5Å; Y375-Y419 VanDerWaalsContact CB-CE2 3.5Å; Y375-Y419 HydrophobicContact CD1-CE2 4.07Å; Y375-Y419 HydrophobicContact CD2-CD1 4.2Å; Y375-Y419 HydrophobicContact CD2-CD2 4.37Å; Y375-Y419 AromaticContact CD2-CE1 3.56Å; Y375-Y419 HydrophobicContact CD2-CE1 3.56Å; Y375-Y419 AromaticContact CD2-CE2 3.68Å; Y375-Y419 HydrophobicContact CD2-CE2 3.68Å; Y375-Y419 AromaticContact CD2-CZ 3.24Å; Y375-Y419 WeakPolarHBondContact CD2-OH 3.48Å; Y375-Y419 HydrophobicContact CE2-CE1 4.13Å; Y375-Y419 HydrophobicContact CE2-CE2 4.36Å; Y375-Y419 AromaticContact CE2-CZ 3.67Å; Y375-Y419 WeakPolarHBondContact CE2-OH 3.26Å; Y375-Y419 HydrophobicContact CG-CD2 4.04Å; Y375-Y419 HydrophobicContact CG-CE1 4.19Å; Y375-Y419 AromaticContact CG-CE2 3.48Å; Y375-Y419 HydrophobicContact CG-CE2 3.48Å; Y375-Y419 VanDerWaalsContact CG-CE2 3.48Å; Y375-Y419 AromaticContact CG-CZ 3.6Å; Y375-N475 PolarHBondContact OH-ND2 2.9Å; Y375-N475 VanDerWaalsContact OH-ND2 3.08Å; Y375-F543 VanDerWaalsContact CE2-OXT 3.31Å; Y375-F543 WeakPolarHBondContact CE2-OXT 3.49Å; Y375-F543 VanDerWaalsContact CZ-OXT 3.26Å; Y375-F543 PolarHBondContact OH-OXT 3.38Å
376	F	92.9	Very high	95.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.018	15%	0.149	C	C	.	.	S	Bend	trans	-73.9	90.9	177	-164.8	-91	0	0	0	111.1	L378 M383 I395 T397 I422 A423 F426 L441	F376-L378 HydrophobicContact CE2-CD1 4.26Å; F376-L378 HydrophobicContact CE2-CG 4.41Å; F376-M383 HydrophobicContact CE1-SD 4.03Å; F376-M383 HydrophobicContact CZ-SD 4.19Å; F376-I395 HydrophobicContact CD2-CG2 4.07Å; F376-I395 HydrophobicContact CE2-CD1 4.35Å; F376-I395 HydrophobicContact CE2-CG2 4.01Å; F376-T397 HydrophobicContact CB-CG2 3.86Å; F376-T397 HydrophobicContact CD2-CG2 3.97Å; F376-T397 HydrophobicContact CG-CG2 4.43Å; F376-I422 HydrophobicContact CD1-CB 4.42Å; F376-I422 HydrophobicContact CD1-CG2 3.82Å; F376-I422 HydrophobicContact CE1-CG2 3.98Å; F376-A423 HydrophobicContact CB-CB 4.06Å; F376-A423 VanDerWaalsContact CD1-CA 3.45Å; F376-A423 HydrophobicContact CD1-CB 3.88Å; F376-A423 HydrophobicContact CG-CB 4.01Å; F376-F426 HydrophobicContact CE1-CB 3.55Å; F376-F426 HydrophobicContact CE1-CD1 4.14Å; F376-F426 AromaticContact CE1-CG 3.9Å; F376-F426 HydrophobicContact CE1-CG 3.9Å; F376-F426 AromaticContact CE2-CD1 3.93Å; F376-F426 HydrophobicContact CE2-CD1 3.93Å; F376-F426 HydrophobicContact CE2-CE1 4.28Å; F376-F426 HydrophobicContact CE2-CG 4.42Å; F376-F426 HydrophobicContact CZ-CB 3.63Å; F376-F426 AromaticContact CZ-CD1 3.33Å; F376-F426 HydrophobicContact CZ-CD1 3.33Å; F376-F426 HydrophobicContact CZ-CD2 4.1Å; F376-F426 AromaticContact CZ-CE1 3.97Å; F376-F426 HydrophobicContact CZ-CE1 3.97Å; F376-F426 AromaticContact CZ-CG 3.41Å; F376-F426 HydrophobicContact CZ-CG 3.41Å; F376-F426 VanDerWaalsContact CZ-CG 3.41Å; F376-L441 HydrophobicContact CD2-CD2 3.72Å; F376-L441 HydrophobicContact CE2-CD2 3.48Å; F376-L441 VanDerWaalsContact CE2-CD2 3.48Å; F376-L441 HydrophobicContact CZ-CD2 4.18Å
377	N	91.9	Very high	95.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.129	C	C	.	.			trans	-142.3	40.3	174.8	-168.5	18.2	0	0	0	112.8	Y375 Y419 G477 K540 F543	Y375-N377 HydrophobicContact CD2-CB 3.78Å; Y375-N377 HydrophobicContact CE2-CB 4.15Å; Y375-N377 PolarHBondContact O-N 3.48Å; N377-Y419 HydrophobicContact CB-CD1 4.15Å; N377-Y419 HydrophobicContact CB-CE1 3.86Å; N377-G477 WeakPolarHBondContact O-CA 3.34Å; N377-K540 PolarHBondContact ND2-O 3.41Å; N377-K540 WeakPolarHBondContact OD1-CG 3.33Å; N377-F543 PolarHBondContact ND2-O 3.08Å
378	L	94.8	Very high	95.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-56.4	145.1	177.4	-59.3	-174.7	0	0	0	111.6	L371 F376 M383 I395 F476	L371-L378 HydrophobicContact CD2-CD1 4.4Å; L371-L378 HydrophobicContact CD2-CD2 3.98Å; F376-L378 HydrophobicContact CE2-CD1 4.26Å; F376-L378 HydrophobicContact CE2-CG 4.41Å; L378-M383 HydrophobicContact CB-CG 3.68Å; L378-M383 HydrophobicContact CD1-CG 4.49Å; L378-I395 HydrophobicContact CD1-CD1 4.23Å; L378-F476 HydrophobicContact CD2-CB 3.48Å; L378-F476 VanDerWaalsContact CD2-CB 3.48Å; L378-F476 HydrophobicContact CD2-CG 4.36Å
379	T	94.8	Very high	95.1	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.055	15%	0.149	C	C	.	.			trans	-58.4	156.1	173	71.5	0	0	0	0	111	A381 Y382 M383 F476 V481	T379-A381 PolarHBondContact O-N 2.99Å; T379-Y382 HydrophobicContact CG2-CD2 4.1Å; T379-Y382 HydrophobicContact CG2-CE2 4.14Å; T379-Y382 PolarHBondContact O-N 3.22Å; T379-Y382 WeakPolarHBondContact OG1-CD2 3.34Å; T379-Y382 PolarHBondContact OG1-N 3.04Å; T379-Y382 VanDerWaalsContact OG1-N 3.12Å; T379-M383 WeakPolarHBondContact O-CG 3.36Å; T379-M383 PolarHBondContact O-N 3.2Å; T379-F476 WeakPolarHBondContact CG2-O 3.27Å; T379-F476 PolarHBondContact N-O 3.02Å; T379-F476 VanDerWaalsContact N-O 3.07Å; T379-V481 HydrophobicContact CG2-CB 4.14Å; T379-V481 HydrophobicContact CG2-CG2 3.76Å
380	R	94.1	Very high	94.8	Very high	192 Å²	192	34.9 Å²	34.9	73%	0.725	17%	0.168	S	C	*	.	H	α-helix	trans	-59.5	-32.4	174.6	-71.4	-176.4	178.9	169.3	0.6	112.3	M383 R384	R380-M383 HydrophobicContact CG-CE 4.18Å; R380-R384 VanDerWaalsContact O-CB 3.26Å; R380-R384 WeakPolarHBondContact O-CB 3.34Å; R380-R384 PolarHBondContact O-N 3.36Å; R380-R384 VanDerWaalsContact O-N 3.07Å
381	A	95.4	Very high	94.6	Very high	40 Å²	40	33.3 Å²	33.3	33%	0.331	16%	0.161	S	C	.	.	H	α-helix	trans	-66.1	-48.8	176.5	0	0	0	0	0	110.9	T379 R384 L385	T379-A381 PolarHBondContact O-N 2.99Å; A381-R384 WeakPolarHBondContact O-CB 3.46Å; A381-R384 PolarHBondContact O-N 3.18Å; A381-L385 WeakPolarHBondContact O-CG 3.47Å; A381-L385 PolarHBondContact O-N 3.44Å
382	Y	97.1	Very high	94.6	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-44.4	179.1	-59.5	-28	0	0	0	112.7	T356 Q357 L360 T379 R384 L385 V386 F476 V481	T356-Y382 HydrophobicContact CG2-CD1 4.49Å; T356-Y382 HydrophobicContact CG2-CE1 3.89Å; T356-Y382 HydrophobicContact CG2-CE2 4.47Å; Q357-Y382 HydrophobicContact CG-CD1 4.2Å; Q357-Y382 HydrophobicContact CG-CE1 3.68Å; L360-Y382 HydrophobicContact CD1-CD1 3.96Å; L360-Y382 HydrophobicContact CD1-CG 4.28Å; T379-Y382 HydrophobicContact CG2-CD2 4.1Å; T379-Y382 HydrophobicContact CG2-CE2 4.14Å; T379-Y382 PolarHBondContact O-N 3.22Å; T379-Y382 WeakPolarHBondContact OG1-CD2 3.34Å; T379-Y382 PolarHBondContact OG1-N 3.04Å; T379-Y382 VanDerWaalsContact OG1-N 3.12Å; Y382-R384 PolarHBondContact O-N 3.1Å; Y382-L385 PolarHBondContact O-N 2.88Å; Y382-V386 WeakPolarHBondContact O-CG2 3.41Å; Y382-V386 PolarHBondContact O-N 3.12Å; Y382-F476 HydrophobicContact CD2-CB 3.92Å; Y382-F476 HydrophobicContact CD2-CD1 4.44Å; Y382-F476 VanDerWaalsContact CD2-O 3.26Å; Y382-F476 WeakPolarHBondContact CD2-O 3.07Å; Y382-F476 HydrophobicContact CE2-CB 3.98Å; Y382-F476 HydrophobicContact CE2-CD1 4.11Å; Y382-F476 WeakPolarHBondContact CE2-O 3.19Å; Y382-V481 HydrophobicContact CE2-CG2 3.88Å
383	M	97.1	Very high	94.6	Very high	24 Å²	24	34.5 Å²	34.5	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-35.9	174.7	-69.6	-173.6	-62.2	0	0	112.1	F376 L378 T379 R380 L387 F426 K540	F376-M383 HydrophobicContact CE1-SD 4.03Å; F376-M383 HydrophobicContact CZ-SD 4.19Å; L378-M383 HydrophobicContact CB-CG 3.68Å; L378-M383 HydrophobicContact CD1-CG 4.49Å; T379-M383 WeakPolarHBondContact O-CG 3.36Å; T379-M383 PolarHBondContact O-N 3.2Å; R380-M383 HydrophobicContact CG-CE 4.18Å; M383-L387 WeakPolarHBondContact O-CB 3.35Å; M383-L387 WeakPolarHBondContact O-CD1 3.37Å; M383-L387 WeakPolarHBondContact O-CG 3.39Å; M383-L387 PolarHBondContact O-N 3.39Å; M383-F426 HydrophobicContact CB-CD2 3.93Å; M383-F426 HydrophobicContact CB-CE2 3.83Å; M383-F426 HydrophobicContact CG-CD2 3.85Å; M383-F426 HydrophobicContact CG-CE2 4.01Å; M383-F426 HydrophobicContact SD-CB 4.29Å; M383-F426 HydrophobicContact SD-CD2 3.79Å; M383-F426 HydrophobicContact SD-CG 4.29Å; M383-K540 VanDerWaalsContact CE-NZ 3.32Å
384	R	96.8	Very high	94.8	Very high	148 Å²	148	36.2 Å²	36.2	56%	0.558	18%	0.177	S	C	*	.	H	α-helix	trans	-66	-49.5	176.2	-176.6	-172.7	-56.1	-178.7	-1.4	111	R380 A381 Y382 V386 L387 E388	R380-R384 VanDerWaalsContact O-CB 3.26Å; R380-R384 WeakPolarHBondContact O-CB 3.34Å; R380-R384 PolarHBondContact O-N 3.36Å; R380-R384 VanDerWaalsContact O-N 3.07Å; A381-R384 WeakPolarHBondContact O-CB 3.46Å; A381-R384 PolarHBondContact O-N 3.18Å; Y382-R384 PolarHBondContact O-N 3.1Å; R384-V386 VanDerWaalsContact C-N 3.33Å; R384-V386 PolarHBondContact O-N 2.88Å; R384-L387 CarbonylContact O-C 3.51Å; R384-L387 WeakPolarHBondContact O-CA 3.35Å; R384-L387 PolarHBondContact O-N 2.89Å; R384-E388 VanDerWaalsContact CD-OE1 3.27Å; R384-E388 WeakPolarHBondContact CD-OE1 3.35Å; R384-E388 WeakPolarHBondContact CD-OE2 3.41Å; R384-E388 HydrophobicContact CG-CG 4.03Å; R384-E388 WeakPolarHBondContact CG-OE1 3.28Å; R384-E388 VanDerWaalsContact CG-OE2 3.29Å; R384-E388 WeakPolarHBondContact CG-OE2 3.45Å; R384-E388 WeakPolarHBondContact O-CB 3.4Å; R384-E388 WeakPolarHBondContact O-CG 3.38Å; R384-E388 PolarHBondContact O-N 3.43Å
385	L	96.8	Very high	95.1	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-46.9	178.1	-68.3	173.3	0	0	0	111.4	Q357 L360 T361 A381 Y382 L387 E388 T389	Q357-L385 HydrophobicContact CB-CD1 4.06Å; Q357-L385 HydrophobicContact CG-CD1 4.02Å; L360-L385 HydrophobicContact CB-CB 4.02Å; L360-L385 HydrophobicContact CB-CD1 4.01Å; L360-L385 HydrophobicContact CD1-CD1 4.4Å; T361-L385 WeakPolarHBondContact OG1-CD2 3.21Å; A381-L385 WeakPolarHBondContact O-CG 3.47Å; A381-L385 PolarHBondContact O-N 3.44Å; Y382-L385 PolarHBondContact O-N 2.88Å; L385-L387 PolarHBondContact O-N 3.42Å; L385-E388 PolarHBondContact O-N 3.32Å; L385-E388 VanDerWaalsContact O-N 3.13Å; L385-T389 WeakPolarHBondContact O-CB 3.31Å; L385-T389 WeakPolarHBondContact O-CG2 3.43Å; L385-T389 PolarHBondContact O-N 2.9Å; L385-T389 PolarHBondContact O-OG1 3.38Å
386	V	96.9	Very high	95.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-54.7	-39.7	174.5	169.7	0	0	0	0	111.9	Y382 R384 Y393 I395 F426 R438 V439	Y382-V386 WeakPolarHBondContact O-CG2 3.41Å; Y382-V386 PolarHBondContact O-N 3.12Å; R384-V386 VanDerWaalsContact C-N 3.33Å; R384-V386 PolarHBondContact O-N 2.88Å; V386-Y393 HydrophobicContact CB-CD2 4.46Å; V386-Y393 HydrophobicContact CB-CE2 4.49Å; V386-Y393 HydrophobicContact CG1-CD1 4.33Å; V386-Y393 HydrophobicContact CG1-CD2 3.85Å; V386-Y393 HydrophobicContact CG1-CE2 4.34Å; V386-Y393 HydrophobicContact CG1-CG 3.83Å; V386-Y393 HydrophobicContact CG2-CD1 4.04Å; V386-Y393 HydrophobicContact CG2-CE1 4.03Å; V386-Y393 HydrophobicContact CG2-CG 4.36Å; V386-I395 HydrophobicContact CG1-CD1 4.27Å; V386-F426 HydrophobicContact CG1-CZ 3.9Å; V386-R438 VanDerWaalsContact O-CZ 3.28Å; V386-R438 PolarHBondContact O-NH1 3.47Å; V386-R438 PolarHBondContact O-NH2 2.87Å; V386-V439 HydrophobicContact CG1-CG1 3.97Å; V386-V439 HydrophobicContact CG1-CG2 4.17Å
387	L	96.4	Very high	95.8	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-82	-21.7	-179.3	-68.6	170.3	0	0	0	114.2	M383 R384 L385 F426 R429 V430 L433 Q435 R438	M383-L387 WeakPolarHBondContact O-CB 3.35Å; M383-L387 WeakPolarHBondContact O-CD1 3.37Å; M383-L387 WeakPolarHBondContact O-CG 3.39Å; M383-L387 PolarHBondContact O-N 3.39Å; R384-L387 CarbonylContact O-C 3.51Å; R384-L387 WeakPolarHBondContact O-CA 3.35Å; R384-L387 PolarHBondContact O-N 2.89Å; L385-L387 PolarHBondContact O-N 3.42Å; L387-F426 HydrophobicContact CD1-CD2 4.29Å; L387-F426 HydrophobicContact CD1-CE2 3.88Å; L387-F426 HydrophobicContact CD2-CE2 4.06Å; L387-F426 HydrophobicContact CD2-CZ 4.26Å; L387-F426 HydrophobicContact CG-CE2 3.8Å; L387-F426 HydrophobicContact CG-CZ 4.35Å; L387-R429 HydrophobicContact CD1-CB 4.34Å; L387-R429 HydrophobicContact CD1-CG 3.58Å; L387-V430 HydrophobicContact CD2-CG2 3.75Å; L387-L433 HydrophobicContact CB-CD1 4.33Å; L387-L433 HydrophobicContact CD1-CD1 4.44Å; L387-L433 HydrophobicContact CD2-CD1 4.29Å; L387-Q435 PolarHBondContact O-NE2 3.38Å; L387-Q435 PolarHBondContact O-OE1 3.01Å; L387-R438 VanDerWaalsContact CA-NH2 3.28Å; L387-R438 PolarHBondContact O-NH2 2.77Å
388	E	93.8	Very high	96	Very high	138 Å²	138	35.6 Å²	35.6	65%	0.645	18%	0.177	S	C	*	.	H	α-helix	trans	-101.7	-21.7	-175	-72.7	175.9	-178.4	0	0	113.1	R384 L385	R384-E388 VanDerWaalsContact CD-OE1 3.27Å; R384-E388 WeakPolarHBondContact CD-OE1 3.35Å; R384-E388 WeakPolarHBondContact CD-OE2 3.41Å; R384-E388 HydrophobicContact CG-CG 4.03Å; R384-E388 WeakPolarHBondContact CG-OE1 3.28Å; R384-E388 VanDerWaalsContact CG-OE2 3.29Å; R384-E388 WeakPolarHBondContact CG-OE2 3.45Å; R384-E388 WeakPolarHBondContact O-CB 3.4Å; R384-E388 WeakPolarHBondContact O-CG 3.38Å; R384-E388 PolarHBondContact O-N 3.43Å; L385-E388 PolarHBondContact O-N 3.32Å; L385-E388 VanDerWaalsContact O-N 3.13Å
389	T	92.6	Very high	96	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.117	18%	0.177	C	C	.	.	S	Bend	trans	-91.6	158.2	179.3	66	0	0	0	0	112.2	L360 L385 Y393 R438	L360-T389 WeakPolarHBondContact O-CG2 3.4Å; L360-T389 PolarHBondContact O-OG1 2.95Å; L385-T389 WeakPolarHBondContact O-CB 3.31Å; L385-T389 WeakPolarHBondContact O-CG2 3.43Å; L385-T389 PolarHBondContact O-N 2.9Å; L385-T389 PolarHBondContact O-OG1 3.38Å; T389-Y393 PolarHBondContact OG1-OH 2.87Å; T389-R438 PolarHBondContact O-NH1 2.89Å; T389-R438 VanDerWaalsContact O-NH1 3.16Å; T389-R438 PolarHBondContact O-NH2 2.79Å
390	G	90.6	Very high	95.8	Very high	37 Å²	37	35.7 Å²	35.7	38%	0.381	18%	0.178	S	C	.	.			trans	-78.6	-18.9	-170	0	0	0	0	0	115	P365	P365-G390 WeakPolarHBondContact CA-O 3.12Å
391	A	95.7	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-60.9	157.7	-173	0	0	0	0	0	114.4	A363 G364 S367 Y393 R438	A363-A391 HydrophobicContact CB-CB 3.65Å; A363-A391 PolarHBondContact O-N 3.24Å; G364-A391 WeakPolarHBondContact O-CA 3.39Å; G364-A391 WeakPolarHBondContact O-CB 2.85Å; G364-A391 PolarHBondContact O-N 3.18Å; S367-A391 WeakPolarHBondContact O-CA 3.38Å; S367-A391 WeakPolarHBondContact O-CB 3.12Å; A391-Y393 HydrophobicContact CB-CD2 4.37Å; A391-Y393 HydrophobicContact CB-CE2 3.73Å; A391-Y393 VanDerWaalsContact O-CD2 3.23Å; A391-Y393 WeakPolarHBondContact O-CD2 3.36Å; A391-Y393 WeakPolarHBondContact O-CE2 3.31Å; A391-R438 PolarHBondContact O-NH1 2.91Å
392	S	97.2	Very high	95.6	Very high	26 Å²	26	29.3 Å²	29.3	18%	0.182	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.2	165.6	-173.6	0	0	0	0	110.1	S367 T368 V369 H394 R438	S367-S392 PolarHBondContact O-N 2.86Å; T368-S392 CarbonylContact C-O 3.54Å; T368-S392 WeakPolarHBondContact CA-O 3.41Å; V369-S392 PolarHBondContact N-O 3Å; S392-H394 PolarHBondContact OG-NE2 3.41Å; S392-R438 CarbonylContact C-O 3.56Å; S392-R438 WeakPolarHBondContact CA-O 3.4Å
393	Y	98.2	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.3	-178	-70.7	-82.4	0	0	0	110.8	L360 V369 V386 T389 A391 R438 V439 H440	L360-Y393 HydrophobicContact CD2-CE1 3.73Å; L360-Y393 PolarHBondContact O-OH 3.18Å; V369-Y393 HydrophobicContact CB-CD1 3.69Å; V369-Y393 HydrophobicContact CB-CE1 3.72Å; V369-Y393 HydrophobicContact CG1-CD1 4.1Å; V369-Y393 HydrophobicContact CG1-CE1 4.08Å; V369-Y393 HydrophobicContact CG2-CD1 4.38Å; V369-Y393 HydrophobicContact CG2-CE1 3.95Å; V369-Y393 WeakPolarHBondContact O-CA 3.12Å; V386-Y393 HydrophobicContact CB-CD2 4.46Å; V386-Y393 HydrophobicContact CB-CE2 4.49Å; V386-Y393 HydrophobicContact CG1-CD1 4.33Å; V386-Y393 HydrophobicContact CG1-CD2 3.85Å; V386-Y393 HydrophobicContact CG1-CE2 4.34Å; V386-Y393 HydrophobicContact CG1-CG 3.83Å; V386-Y393 HydrophobicContact CG2-CD1 4.04Å; V386-Y393 HydrophobicContact CG2-CE1 4.03Å; V386-Y393 HydrophobicContact CG2-CG 4.36Å; T389-Y393 PolarHBondContact OG1-OH 2.87Å; A391-Y393 HydrophobicContact CB-CD2 4.37Å; A391-Y393 HydrophobicContact CB-CE2 3.73Å; A391-Y393 VanDerWaalsContact O-CD2 3.23Å; A391-Y393 WeakPolarHBondContact O-CD2 3.36Å; A391-Y393 WeakPolarHBondContact O-CE2 3.31Å; Y393-R438 PolarHBondContact N-O 2.89Å; Y393-V439 WeakPolarHBondContact O-CA 3.45Å; Y393-H440 PolarHBondContact O-N 3.43Å
394	H	98.4	Very high	94.8	Very high	38 Å²	38	30.5 Å²	30.5	18%	0.176	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.4	171.4	-64.7	-95.3	0	0	0	108.9	V369 F370 L371 S392 H440 H442 Y510	V369-H394 PolarHBondContact O-N 3.29Å; F370-H394 CarbonylContact C-O 3.47Å; F370-H394 WeakPolarHBondContact CA-O 3.48Å; F370-H394 HydrophobicContact CD1-CB 3.42Å; F370-H394 VanDerWaalsContact CD1-CB 3.42Å; F370-H394 AromaticContact CD1-CG 3.96Å; F370-H394 HydrophobicContact CE1-CB 3.51Å; F370-H394 AromaticContact CE1-CD2 3.8Å; F370-H394 AromaticContact CE1-CG 3.53Å; F370-H394 HydrophobicContact CG-CB 4.09Å; F370-H394 HydrophobicContact CZ-CB 4.25Å; F370-H394 AromaticContact CZ-CD2 3.64Å; F370-H394 AromaticContact CZ-CG 3.87Å; L371-H394 PolarHBondContact N-O 3.05Å; S392-H394 PolarHBondContact OG-NE2 3.41Å; H394-H440 CarbonylContact C-O 3.18Å; H394-H440 WeakPolarHBondContact CA-O 3.36Å; H394-H440 AromaticContact CE1-CD2 3.36Å; H394-H440 PolarHBondContact CE1-CD2 2.83Å; H394-H440 AromaticContact CE1-CG 3.8Å; H394-H440 AromaticContact ND1-CD2 3.71Å; H394-H440 AromaticContact ND1-CG 3.79Å; H394-H440 AromaticContact NE2-CD2 3.88Å; H394-H442 AromaticContact ND1-NE2 3.57Å; H394-Y510 HydrophobicContact CB-CE1 3.9Å; H394-Y510 PolarHBondContact O-OH 3.3Å
395	I	98.4	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.5	-173.3	-57.5	170.4	0	0	0	110.5	L371 F376 L378 V386 T397 F426 H440 L441 H442	L371-I395 HydrophobicContact CB-CG1 4.44Å; L371-I395 HydrophobicContact CD2-CG2 4.02Å; L371-I395 CarbonylContact O-C 3.58Å; L371-I395 VanDerWaalsContact O-CA 3.27Å; L371-I395 WeakPolarHBondContact O-CA 3.42Å; F376-I395 HydrophobicContact CD2-CG2 4.07Å; F376-I395 HydrophobicContact CE2-CD1 4.35Å; F376-I395 HydrophobicContact CE2-CG2 4.01Å; L378-I395 HydrophobicContact CD1-CD1 4.23Å; V386-I395 HydrophobicContact CG1-CD1 4.27Å; I395-T397 HydrophobicContact CG2-CG2 4.16Å; I395-F426 HydrophobicContact CD1-CE1 3.99Å; I395-F426 HydrophobicContact CD1-CZ 4.21Å; I395-H440 PolarHBondContact N-O 2.93Å; I395-L441 HydrophobicContact CB-CD2 4.46Å; I395-L441 CarbonylContact O-C 3.5Å; I395-H442 PolarHBondContact O-N 2.84Å
396	L	98.5	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.3	178.2	180	65.8	0	0	0	112.3	L371 T372 S373 H442 Y444 F451 L509 Y510	L371-L396 PolarHBondContact O-N 3.06Å; T372-L396 VanDerWaalsContact CA-O 3.32Å; T372-L396 WeakPolarHBondContact CA-O 3.27Å; T372-L396 PolarHBondContact OG1-O 2.7Å; S373-L396 PolarHBondContact N-O 3.22Å; L396-H442 HydrophobicContact CD1-CB 3.76Å; L396-Y444 HydrophobicContact CD2-CD2 4.46Å; L396-F451 HydrophobicContact CD2-CE2 4.3Å; L396-F451 HydrophobicContact CD2-CZ 3.82Å; L396-F451 HydrophobicContact CG-CE1 4.47Å; L396-F451 HydrophobicContact CG-CZ 3.99Å; L396-L509 HydrophobicContact CD2-CB 3.92Å; L396-Y510 HydrophobicContact CB-CD1 4.47Å; L396-Y510 HydrophobicContact CB-CE1 3.76Å; L396-Y510 HydrophobicContact CB-CE2 3.83Å; L396-Y510 WeakPolarHBondContact CB-OH 3.35Å; L396-Y510 HydrophobicContact CD2-CD2 3.87Å; L396-Y510 HydrophobicContact CD2-CE2 3.82Å; L396-Y510 HydrophobicContact CD2-CG 4.33Å; L396-Y510 HydrophobicContact CG-CE2 4.45Å; L396-Y510 PolarHBondContact N-OH 3.23Å
397	T	97.1	Very high	93	Very high	10 Å²	10	34.7 Å²	34.7	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	165	176.1	66.2	0	0	0	0	112.7	S373 F376 I395 S399 H442 E443 Y444	S373-T397 WeakPolarHBondContact O-CA 2.98Å; F376-T397 HydrophobicContact CB-CG2 3.86Å; F376-T397 HydrophobicContact CD2-CG2 3.97Å; F376-T397 HydrophobicContact CG-CG2 4.43Å; I395-T397 HydrophobicContact CG2-CG2 4.16Å; T397-S399 PolarHBondContact O-N 2.94Å; T397-H442 PolarHBondContact N-O 2.89Å; T397-E443 CarbonylContact O-C 3.58Å; T397-E443 WeakPolarHBondContact O-CA 3.24Å; T397-Y444 PolarHBondContact O-N 3.35Å
398	A	96	Very high	92.4	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	130.6	175.3	0	0	0	0	0	111.4	G374 V402 F451	G374-A398 WeakPolarHBondContact O-CB 3.35Å; A398-V402 HydrophobicContact CB-CG2 3.85Å; A398-F451 HydrophobicContact CB-CB 4.02Å; A398-F451 HydrophobicContact CB-CD1 3.96Å; A398-F451 HydrophobicContact CB-CG 4.45Å
399	S	94.6	Very high	91.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.			trans	-60.7	160.2	159.1	66.1	0	0	0	0	110.4	T397 E401 V402 N403 Y444 H445	T397-S399 PolarHBondContact O-N 2.94Å; S399-E401 PolarHBondContact O-N 3.45Å; S399-V402 WeakPolarHBondContact O-CG2 3.42Å; S399-V402 PolarHBondContact O-N 3.49Å; S399-V402 WeakPolarHBondContact OG-CG2 3.46Å; S399-N403 PolarHBondContact O-N 3.41Å; S399-Y444 WeakPolarHBondContact CB-O 3.47Å; S399-Y444 PolarHBondContact N-O 3.12Å; S399-Y444 VanDerWaalsContact N-O 3.12Å; S399-Y444 PolarHBondContact OG-O 3.4Å; S399-H445 WeakPolarHBondContact CB-CE1 3.06Å; S399-H445 WeakPolarHBondContact CB-ND1 3.28Å; S399-H445 PolarHBondContact OG-ND1 2.84Å
400	P	90.9	Very high	91.1	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.084	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.9	-179.5	-30.1	40.1	0	0	0	113.8	V402 N403 F406 I420 R526	P400-V402 PolarHBondContact O-N 3.42Å; P400-N403 VanDerWaalsContact O-CB 3.32Å; P400-N403 WeakPolarHBondContact O-CB 3.04Å; P400-N403 PolarHBondContact O-N 3.42Å; P400-F406 WeakPolarHBondContact O-CB 3.38Å; P400-F406 WeakPolarHBondContact O-CD2 3.48Å; P400-F406 WeakPolarHBondContact O-CG 3.18Å; P400-I420 HydrophobicContact CB-CD1 4.32Å; P400-I420 HydrophobicContact CG-CD1 3.63Å; P400-I420 HydrophobicContact CG-CG1 4.01Å; P400-R526 VanDerWaalsContact CD-NH2 3.26Å; P400-R526 VanDerWaalsContact CG-CZ 3.47Å
401	E	90.2	Very high	90.3	Very high	94 Å²	94	42.9 Å²	42.9	44%	0.439	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-69.8	-30.8	-176.6	-66.7	129.4	-148.2	0	0	113.6	S399 F406 H445 N525	S399-E401 PolarHBondContact O-N 3.45Å; E401-F406 HydrophobicContact CG-CZ 4.33Å; E401-H445 IonicContact OE2-ND1 3.21Å; E401-N525 PolarHBondContact OE1-ND2 2.86Å
402	V	93.5	Very high	89.5	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-99.6	7.4	179.2	-54.1	0	0	0	0	112.3	A398 S399 P400 Y444 R446 W449 T450 F451	A398-V402 HydrophobicContact CB-CG2 3.85Å; S399-V402 WeakPolarHBondContact O-CG2 3.42Å; S399-V402 PolarHBondContact O-N 3.49Å; S399-V402 WeakPolarHBondContact OG-CG2 3.46Å; P400-V402 PolarHBondContact O-N 3.42Å; V402-Y444 HydrophobicContact CG2-CD1 4.18Å; V402-Y444 VanDerWaalsContact CG2-O 3.27Å; V402-Y444 WeakPolarHBondContact CG2-O 3.31Å; V402-R446 WeakPolarHBondContact CG1-O 3.46Å; V402-W449 WeakPolarHBondContact CB-O 3.47Å; V402-W449 WeakPolarHBondContact CG1-O 3.33Å; V402-T450 CarbonylContact O-C 3.55Å; V402-T450 VanDerWaalsContact O-CA 3.23Å; V402-T450 WeakPolarHBondContact O-CA 3.41Å; V402-T450 WeakPolarHBondContact O-CB 3.46Å; V402-F451 HydrophobicContact CB-CB 4.38Å; V402-F451 HydrophobicContact CG2-CB 3.79Å; V402-F451 PolarHBondContact O-N 2.72Å
403	N	91.3	Very high	88.8	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.048	28%	0.282	C	S	.	.	S	Bend	trans	-72	137.1	176	-168.8	-70.7	0	0	0	110.4	S399 P400 F405 F406 P416	S399-N403 PolarHBondContact O-N 3.41Å; P400-N403 VanDerWaalsContact O-CB 3.32Å; P400-N403 WeakPolarHBondContact O-CB 3.04Å; P400-N403 PolarHBondContact O-N 3.42Å; N403-F405 PolarHBondContact O-N 3.46Å; N403-F405 PolarHBondContact OD1-N 3.02Å; N403-F406 VanDerWaalsContact O-CB 3.22Å; N403-F406 WeakPolarHBondContact O-CB 3.1Å; N403-F406 PolarHBondContact O-N 2.83Å; N403-P416 HydrophobicContact CB-CG 4.48Å
404	G	86.4	Confident	88.2	Confident	42 Å²	42	45 Å²	45	43%	0.433	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.2	179.1	0	0	0	0	0	115.5
405	F	85.3	Confident	87.6	Confident	68 Å²	68	43.2 Å²	43.2	30%	0.298	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	6.5	175	-64	-78.6	0	0	0	113.4	N403 G407 A408 A412 I415 P416 F543	N403-F405 PolarHBondContact O-N 3.46Å; N403-F405 PolarHBondContact OD1-N 3.02Å; F405-G407 PolarHBondContact O-N 2.81Å; F405-A408 HydrophobicContact CB-CB 4.47Å; F405-A408 WeakPolarHBondContact O-CB 3.1Å; F405-A408 PolarHBondContact O-N 3.02Å; F405-A412 HydrophobicContact CD1-CB 4.3Å; F405-I415 HydrophobicContact CB-CB 4.34Å; F405-I415 HydrophobicContact CD1-CD1 3.86Å; F405-I415 HydrophobicContact CD2-CB 4.31Å; F405-I415 HydrophobicContact CD2-CD1 4.26Å; F405-I415 HydrophobicContact CD2-CG2 3.76Å; F405-I415 HydrophobicContact CE1-CD1 3.84Å; F405-I415 HydrophobicContact CE2-CD1 4.24Å; F405-I415 HydrophobicContact CE2-CG2 4.19Å; F405-I415 HydrophobicContact CG-CB 4.26Å; F405-I415 HydrophobicContact CG-CD1 4.07Å; F405-I415 HydrophobicContact CG-CG2 4.22Å; F405-I415 HydrophobicContact CZ-CD1 4.03Å; F405-P416 HydrophobicContact CB-CG 3.92Å; F405-F543 HydrophobicContact CZ-CD1 4.44Å
406	F	85.3	Confident	87.2	Confident	127 Å²	127	43.8 Å²	43.8	56%	0.557	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	130.6	178.1	-170.7	-110.4	0	0	0	110.9	P400 E401 N403 A408	P400-F406 WeakPolarHBondContact O-CB 3.38Å; P400-F406 WeakPolarHBondContact O-CD2 3.48Å; P400-F406 WeakPolarHBondContact O-CG 3.18Å; E401-F406 HydrophobicContact CG-CZ 4.33Å; N403-F406 VanDerWaalsContact O-CB 3.22Å; N403-F406 WeakPolarHBondContact O-CB 3.1Å; N403-F406 PolarHBondContact O-N 2.83Å; F406-A408 PolarHBondContact O-N 2.65Å
407	G	83.4	Confident	86.8	Confident	70 Å²	70	44.8 Å²	44.8	72%	0.722	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	3.7	-176.5	0	0	0	0	0	115.6	F405	F405-G407 PolarHBondContact O-N 2.81Å
408	A	82.9	Confident	86.5	Confident	36 Å²	36	44.3 Å²	44.3	30%	0.298	28%	0.284	S	S	.	.			trans	-62.5	143	176.9	0	0	0	0	0	111.6	F405 F406 A412 G413	F405-A408 HydrophobicContact CB-CB 4.47Å; F405-A408 WeakPolarHBondContact O-CB 3.1Å; F405-A408 PolarHBondContact O-N 3.02Å; F406-A408 PolarHBondContact O-N 2.65Å; A408-A412 HydrophobicContact CB-CB 4.02Å; A408-G413 WeakPolarHBondContact O-CA 3.49Å; A408-G413 PolarHBondContact O-N 3.36Å
409	K	79.1	Confident	86.3	Confident	199 Å²	199	44.3 Å²	44.3	87%	0.865	28%	0.282	S	S	*	.			trans	-84.6	151.9	179.1	-63.1	-177	-178.7	178.8	0	111.5
410	G	79.8	Confident	86.2	Confident	66 Å²	66	45 Å²	45	68%	0.68	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	71.2	-149.3	175.7	0	0	0	0	0	113.4	A412 G413	G410-A412 PolarHBondContact O-N 2.98Å; G410-G413 PolarHBondContact O-N 2.84Å
411	V	74.5	Confident	86.4	Confident	87 Å²	87	45.8 Å²	45.8	53%	0.527	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-60.3	-34	-177	179.6	0	0	0	0	112.3	G413 A414	V411-G413 PolarHBondContact O-N 3.4Å; V411-A414 WeakPolarHBondContact O-CB 3.29Å; V411-A414 PolarHBondContact O-N 3.4Å
412	A	77.9	Confident	86.6	Confident	35 Å²	35	41.5 Å²	41.5	29%	0.289	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-60.4	-32.1	176.6	0	0	0	0	0	112.5	F405 A408 G410 A414 I415	F405-A412 HydrophobicContact CD1-CB 4.3Å; A408-A412 HydrophobicContact CB-CB 4.02Å; G410-A412 PolarHBondContact O-N 2.98Å; A412-A414 PolarHBondContact O-N 3.13Å; A412-I415 HydrophobicContact CB-CD1 4.28Å; A412-I415 WeakPolarHBondContact O-CB 3.39Å; A412-I415 WeakPolarHBondContact O-CG1 3.45Å; A412-I415 PolarHBondContact O-N 2.94Å; A412-I415 VanDerWaalsContact O-N 3.16Å
413	G	82.9	Confident	86.7	Confident	32 Å²	32	41.9 Å²	41.9	33%	0.33	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-67.5	-14.4	174.5	0	0	0	0	0	114.5	A408 G410 V411	A408-G413 WeakPolarHBondContact O-CA 3.49Å; A408-G413 PolarHBondContact O-N 3.36Å; G410-G413 PolarHBondContact O-N 2.84Å; V411-G413 PolarHBondContact O-N 3.4Å
414	A	85.6	Confident	87	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-88.5	-11.3	174.9	0	0	0	0	0	113.5	V411 A412 A417 A418 W531 V532	V411-A414 WeakPolarHBondContact O-CB 3.29Å; V411-A414 PolarHBondContact O-N 3.4Å; A412-A414 PolarHBondContact O-N 3.13Å; A414-A417 PolarHBondContact O-N 2.99Å; A414-A418 PolarHBondContact O-N 2.91Å; A414-W531 HydrophobicContact CB-CH2 3.4Å; A414-W531 HydrophobicContact CB-CZ2 4.09Å; A414-W531 HydrophobicContact CB-CZ3 3.99Å; A414-V532 HydrophobicContact CB-CG1 4.32Å; A414-V532 HydrophobicContact CB-CG2 3.97Å
415	I	86.4	Confident	87.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-48.5	-179.4	-65.8	169.8	0	0	0	111.4	F405 A412 A417 A418 Y419 I539 F543	F405-I415 HydrophobicContact CB-CB 4.34Å; F405-I415 HydrophobicContact CD1-CD1 3.86Å; F405-I415 HydrophobicContact CD2-CB 4.31Å; F405-I415 HydrophobicContact CD2-CD1 4.26Å; F405-I415 HydrophobicContact CD2-CG2 3.76Å; F405-I415 HydrophobicContact CE1-CD1 3.84Å; F405-I415 HydrophobicContact CE2-CD1 4.24Å; F405-I415 HydrophobicContact CE2-CG2 4.19Å; F405-I415 HydrophobicContact CG-CB 4.26Å; F405-I415 HydrophobicContact CG-CD1 4.07Å; F405-I415 HydrophobicContact CG-CG2 4.22Å; F405-I415 HydrophobicContact CZ-CD1 4.03Å; A412-I415 HydrophobicContact CB-CD1 4.28Å; A412-I415 WeakPolarHBondContact O-CB 3.39Å; A412-I415 WeakPolarHBondContact O-CG1 3.45Å; A412-I415 PolarHBondContact O-N 2.94Å; A412-I415 VanDerWaalsContact O-N 3.16Å; I415-A417 VanDerWaalsContact C-N 3.3Å; I415-A417 PolarHBondContact O-N 2.76Å; I415-A418 WeakPolarHBondContact O-CB 3.3Å; I415-A418 PolarHBondContact O-N 2.91Å; I415-A418 VanDerWaalsContact O-N 3.1Å; I415-Y419 HydrophobicContact CG2-CD2 3.91Å; I415-Y419 HydrophobicContact CG2-CE2 3.21Å; I415-Y419 WeakPolarHBondContact O-CD2 3.39Å; I415-Y419 PolarHBondContact O-N 3.47Å; I415-Y419 VanDerWaalsContact O-N 3.08Å; I415-I539 HydrophobicContact CG1-CG2 4.26Å; I415-I539 HydrophobicContact CG2-CG2 4.5Å; I415-F543 HydrophobicContact CD1-CD1 3.55Å; I415-F543 HydrophobicContact CD1-CD2 4.33Å; I415-F543 HydrophobicContact CD1-CE1 3.71Å; I415-F543 HydrophobicContact CD1-CE2 4.46Å; I415-F543 HydrophobicContact CD1-CG 3.88Å; I415-F543 HydrophobicContact CD1-CZ 4.16Å; I415-F543 HydrophobicContact CG1-CG 4.37Å
416	P	88.7	Confident	88	Confident	13 Å²	13	46.9 Å²	46.9	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-42.1	176.6	-25.1	35.2	0	0	0	112.6	N403 F405 A418 Y419 I420	N403-P416 HydrophobicContact CB-CG 4.48Å; F405-P416 HydrophobicContact CB-CG 3.92Å; P416-A418 VanDerWaalsContact C-N 3.32Å; P416-A418 PolarHBondContact O-N 3.02Å; P416-Y419 PolarHBondContact O-N 2.83Å; P416-I420 WeakPolarHBondContact O-CG1 3.43Å; P416-I420 PolarHBondContact O-N 3.21Å
417	A	90.3	Very high	88.6	Confident	21 Å²	21	42.2 Å²	42.2	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-31.5	178.3	0	0	0	0	0	113.1	A414 I415 H421 V528 V532	A414-A417 PolarHBondContact O-N 2.99Å; I415-A417 VanDerWaalsContact C-N 3.3Å; I415-A417 PolarHBondContact O-N 2.76Å; A417-H421 PolarHBondContact O-N 2.83Å; A417-V528 HydrophobicContact CB-CG1 4.45Å; A417-V528 WeakPolarHBondContact O-CG2 3.13Å; A417-V532 HydrophobicContact CB-CG1 3.93Å
418	A	91.3	Very high	89.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-40.7	172.3	0	0	0	0	0	111.6	A414 I415 P416 H421 I422 V532 T536 I539	A414-A418 PolarHBondContact O-N 2.91Å; I415-A418 WeakPolarHBondContact O-CB 3.3Å; I415-A418 PolarHBondContact O-N 2.91Å; I415-A418 VanDerWaalsContact O-N 3.1Å; P416-A418 VanDerWaalsContact C-N 3.32Å; P416-A418 PolarHBondContact O-N 3.02Å; A418-H421 WeakPolarHBondContact O-CB 3.27Å; A418-H421 PolarHBondContact O-N 3.33Å; A418-H421 VanDerWaalsContact O-N 3.14Å; A418-I422 WeakPolarHBondContact O-CG1 3.2Å; A418-I422 PolarHBondContact O-N 3.41Å; A418-V532 HydrophobicContact CB-CG1 4.23Å; A418-T536 HydrophobicContact CB-CG2 4.23Å; A418-I539 HydrophobicContact CB-CB 4.16Å; A418-I539 HydrophobicContact CB-CD1 3.71Å; A418-I539 HydrophobicContact CB-CG2 3.85Å
419	Y	92.4	Very high	89.9	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-40.1	174.8	-61.6	-40.5	0	0	0	112.6	Y375 N377 I415 P416 H421 I422 A423 F543	Y375-Y419 VanDerWaalsContact CB-CD2 3.5Å; Y375-Y419 VanDerWaalsContact CB-CE2 3.5Å; Y375-Y419 HydrophobicContact CD1-CE2 4.07Å; Y375-Y419 HydrophobicContact CD2-CD1 4.2Å; Y375-Y419 HydrophobicContact CD2-CD2 4.37Å; Y375-Y419 AromaticContact CD2-CE1 3.56Å; Y375-Y419 HydrophobicContact CD2-CE1 3.56Å; Y375-Y419 AromaticContact CD2-CE2 3.68Å; Y375-Y419 HydrophobicContact CD2-CE2 3.68Å; Y375-Y419 AromaticContact CD2-CZ 3.24Å; Y375-Y419 WeakPolarHBondContact CD2-OH 3.48Å; Y375-Y419 HydrophobicContact CE2-CE1 4.13Å; Y375-Y419 HydrophobicContact CE2-CE2 4.36Å; Y375-Y419 AromaticContact CE2-CZ 3.67Å; Y375-Y419 WeakPolarHBondContact CE2-OH 3.26Å; Y375-Y419 HydrophobicContact CG-CD2 4.04Å; Y375-Y419 HydrophobicContact CG-CE1 4.19Å; Y375-Y419 AromaticContact CG-CE2 3.48Å; Y375-Y419 HydrophobicContact CG-CE2 3.48Å; Y375-Y419 VanDerWaalsContact CG-CE2 3.48Å; Y375-Y419 AromaticContact CG-CZ 3.6Å; N377-Y419 HydrophobicContact CB-CD1 4.15Å; N377-Y419 HydrophobicContact CB-CE1 3.86Å; I415-Y419 HydrophobicContact CG2-CD2 3.91Å; I415-Y419 HydrophobicContact CG2-CE2 3.21Å; I415-Y419 WeakPolarHBondContact O-CD2 3.39Å; I415-Y419 PolarHBondContact O-N 3.47Å; I415-Y419 VanDerWaalsContact O-N 3.08Å; P416-Y419 PolarHBondContact O-N 2.83Å; Y419-H421 PolarHBondContact O-N 3Å; Y419-I422 HydrophobicContact CD1-CD1 4.18Å; Y419-I422 PolarHBondContact O-N 2.64Å; Y419-A423 WeakPolarHBondContact O-CB 3.3Å; Y419-A423 PolarHBondContact O-N 3Å; Y419-F543 VanDerWaalsContact OH-C 3.23Å; Y419-F543 WeakPolarHBondContact OH-CB 3.27Å; Y419-F543 PolarHBondContact OH-O 2.63Å; Y419-F543 PolarHBondContact OH-OXT 2.74Å
420	I	93.3	Very high	90.8	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.077	21%	0.206	C	C	.	.	H	α-helix	trans	-56.5	-41.9	170.9	-64.6	166.3	0	0	0	110.2	P400 P416 R424 F521 R526 V528	P400-I420 HydrophobicContact CB-CD1 4.32Å; P400-I420 HydrophobicContact CG-CD1 3.63Å; P400-I420 HydrophobicContact CG-CG1 4.01Å; P416-I420 WeakPolarHBondContact O-CG1 3.43Å; P416-I420 PolarHBondContact O-N 3.21Å; I420-R424 WeakPolarHBondContact O-CB 3.46Å; I420-R424 PolarHBondContact O-N 3.45Å; I420-F521 HydrophobicContact CG2-CD1 4.42Å; I420-R526 HydrophobicContact CG2-CB 4.2Å; I420-V528 HydrophobicContact CB-CG2 4.15Å; I420-V528 HydrophobicContact CG2-CG2 3.88Å
421	H	94.6	Very high	91.6	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-44.3	178	-170.8	40	0	0	0	112.8	A417 A418 Y419 R424 Q425 V528	A417-H421 PolarHBondContact O-N 2.83Å; A418-H421 WeakPolarHBondContact O-CB 3.27Å; A418-H421 PolarHBondContact O-N 3.33Å; A418-H421 VanDerWaalsContact O-N 3.14Å; Y419-H421 PolarHBondContact O-N 3Å; H421-R424 PolarHBondContact O-N 3.36Å; H421-Q425 PolarHBondContact NE2-NE2 2.99Å; H421-Q425 WeakPolarHBondContact O-CG 3.36Å; H421-Q425 PolarHBondContact O-N 2.89Å; H421-V528 HydrophobicContact CB-CG1 4.17Å; H421-V528 HydrophobicContact CB-CG2 4.26Å
422	I	94.3	Very high	92.7	Very high	3 Å²	3	37 Å²	37	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-44.3	178.8	-62.8	160.3	0	0	0	110.2	F376 A418 Y419 R424 Q425 F426 T536 K540	F376-I422 HydrophobicContact CD1-CB 4.42Å; F376-I422 HydrophobicContact CD1-CG2 3.82Å; F376-I422 HydrophobicContact CE1-CG2 3.98Å; A418-I422 WeakPolarHBondContact O-CG1 3.2Å; A418-I422 PolarHBondContact O-N 3.41Å; Y419-I422 HydrophobicContact CD1-CD1 4.18Å; Y419-I422 PolarHBondContact O-N 2.64Å; I422-R424 PolarHBondContact O-N 2.77Å; I422-Q425 PolarHBondContact O-N 3.23Å; I422-F426 PolarHBondContact O-N 3.24Å; I422-T536 HydrophobicContact CD1-CG2 3.89Å; I422-T536 HydrophobicContact CG1-CG2 3.63Å; I422-K540 HydrophobicContact CD1-CB 4.21Å; I422-K540 HydrophobicContact CD1-CD 4.47Å; I422-K540 HydrophobicContact CD1-CG 4.15Å
423	A	95.8	Very high	93.6	Very high	13 Å²	13	38.9 Å²	38.9	11%	0.107	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-45.1	176.1	0	0	0	0	0	111.4	F376 Y419 Q425 F426 Y427 F521	F376-A423 HydrophobicContact CB-CB 4.06Å; F376-A423 VanDerWaalsContact CD1-CA 3.45Å; F376-A423 HydrophobicContact CD1-CB 3.88Å; F376-A423 HydrophobicContact CG-CB 4.01Å; Y419-A423 WeakPolarHBondContact O-CB 3.3Å; Y419-A423 PolarHBondContact O-N 3Å; A423-Q425 PolarHBondContact O-N 2.91Å; A423-F426 PolarHBondContact O-N 3.32Å; A423-Y427 WeakPolarHBondContact O-CB 3.03Å; A423-Y427 PolarHBondContact O-N 2.97Å; A423-F521 HydrophobicContact CB-CE1 4.37Å; A423-F521 HydrophobicContact CB-CZ 4.38Å
424	R	96	Very high	94.3	Very high	108 Å²	108	40 Å²	40	41%	0.408	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-41.2	176.4	-171.5	174.4	179.1	171	-0	112.6	I420 H421 I422 F426 N428 F521	I420-R424 WeakPolarHBondContact O-CB 3.46Å; I420-R424 PolarHBondContact O-N 3.45Å; H421-R424 PolarHBondContact O-N 3.36Å; I422-R424 PolarHBondContact O-N 2.77Å; R424-F426 VanDerWaalsContact C-N 3.32Å; R424-F426 PolarHBondContact O-N 2.85Å; R424-N428 WeakPolarHBondContact O-CB 3.23Å; R424-N428 PolarHBondContact O-N 2.86Å; R424-N428 PolarHBondContact O-ND2 2.94Å; R424-N428 PolarHBondContact O-OD1 2.99Å; R424-F521 HydrophobicContact CB-CD1 3.74Å; R424-F521 HydrophobicContact CB-CE1 3.62Å; R424-F521 HydrophobicContact CB-CE2 4.49Å; R424-F521 HydrophobicContact CB-CG 4.23Å; R424-F521 HydrophobicContact CB-CZ 4.02Å; R424-F521 HydrophobicContact CG-CB 4.43Å; R424-F521 HydrophobicContact CG-CD1 3.96Å; R424-F521 HydrophobicContact CG-CD2 4.24Å; R424-F521 HydrophobicContact CG-CE1 4.25Å; R424-F521 HydrophobicContact CG-CG 3.95Å
425	Q	95.8	Very high	94.8	Very high	108 Å²	108	41.4 Å²	41.4	51%	0.505	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-41.6	176.6	-76.7	-178.5	-23.9	0	0	111.7	H421 I422 A423 R429	H421-Q425 PolarHBondContact NE2-NE2 2.99Å; H421-Q425 WeakPolarHBondContact O-CG 3.36Å; H421-Q425 PolarHBondContact O-N 2.89Å; I422-Q425 PolarHBondContact O-N 3.23Å; A423-Q425 PolarHBondContact O-N 2.91Å; Q425-R429 PolarHBondContact O-N 3.45Å
426	F	97.4	Very high	95.3	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-47.4	177.4	178.6	-102.7	0	0	0	112	F376 M383 V386 L387 I395 I422 A423 R424 N428 R429 V430 V439 L441	F376-F426 HydrophobicContact CE1-CB 3.55Å; F376-F426 HydrophobicContact CE1-CD1 4.14Å; F376-F426 AromaticContact CE1-CG 3.9Å; F376-F426 HydrophobicContact CE1-CG 3.9Å; F376-F426 AromaticContact CE2-CD1 3.93Å; F376-F426 HydrophobicContact CE2-CD1 3.93Å; F376-F426 HydrophobicContact CE2-CE1 4.28Å; F376-F426 HydrophobicContact CE2-CG 4.42Å; F376-F426 HydrophobicContact CZ-CB 3.63Å; F376-F426 AromaticContact CZ-CD1 3.33Å; F376-F426 HydrophobicContact CZ-CD1 3.33Å; F376-F426 HydrophobicContact CZ-CD2 4.1Å; F376-F426 AromaticContact CZ-CE1 3.97Å; F376-F426 HydrophobicContact CZ-CE1 3.97Å; F376-F426 AromaticContact CZ-CG 3.41Å; F376-F426 HydrophobicContact CZ-CG 3.41Å; F376-F426 VanDerWaalsContact CZ-CG 3.41Å; M383-F426 HydrophobicContact CB-CD2 3.93Å; M383-F426 HydrophobicContact CB-CE2 3.83Å; M383-F426 HydrophobicContact CG-CD2 3.85Å; M383-F426 HydrophobicContact CG-CE2 4.01Å; M383-F426 HydrophobicContact SD-CB 4.29Å; M383-F426 HydrophobicContact SD-CD2 3.79Å; M383-F426 HydrophobicContact SD-CG 4.29Å; V386-F426 HydrophobicContact CG1-CZ 3.9Å; L387-F426 HydrophobicContact CD1-CD2 4.29Å; L387-F426 HydrophobicContact CD1-CE2 3.88Å; L387-F426 HydrophobicContact CD2-CE2 4.06Å; L387-F426 HydrophobicContact CD2-CZ 4.26Å; L387-F426 HydrophobicContact CG-CE2 3.8Å; L387-F426 HydrophobicContact CG-CZ 4.35Å; I395-F426 HydrophobicContact CD1-CE1 3.99Å; I395-F426 HydrophobicContact CD1-CZ 4.21Å; I422-F426 PolarHBondContact O-N 3.24Å; A423-F426 PolarHBondContact O-N 3.32Å; R424-F426 VanDerWaalsContact C-N 3.32Å; R424-F426 PolarHBondContact O-N 2.85Å; F426-N428 VanDerWaalsContact C-N 3.34Å; F426-N428 PolarHBondContact O-N 3.24Å; F426-R429 WeakPolarHBondContact O-CA 3.29Å; F426-R429 VanDerWaalsContact O-CB 3.32Å; F426-R429 WeakPolarHBondContact O-CB 3.39Å; F426-R429 PolarHBondContact O-N 3.15Å; F426-V430 HydrophobicContact CD1-CG2 4.24Å; F426-V430 HydrophobicContact CE1-CG2 3.85Å; F426-V430 HydrophobicContact CZ-CG2 4.06Å; F426-V430 PolarHBondContact O-N 3.23Å; F426-V439 HydrophobicContact CE1-CG1 3.91Å; F426-V439 HydrophobicContact CZ-CG1 3.98Å; F426-L441 HydrophobicContact CD1-CD1 3.77Å; F426-L441 HydrophobicContact CD1-CD2 3.91Å; F426-L441 HydrophobicContact CD1-CG 4.29Å; F426-L441 HydrophobicContact CE1-CD1 3.96Å; F426-L441 HydrophobicContact CE1-CD2 4.16Å; F426-L441 HydrophobicContact CE1-CG 4.28Å
427	Y	97.5	Very high	95.6	Very high	28 Å²	28	53.5 Å²	53.5	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-56.2	-46.3	175.6	-178	-98.5	0	0	0	112	A423 R429 V430 C431 L441 V516 S517 D518 F521	A423-Y427 WeakPolarHBondContact O-CB 3.03Å; A423-Y427 PolarHBondContact O-N 2.97Å; Y427-R429 PolarHBondContact O-N 2.8Å; Y427-V430 WeakPolarHBondContact O-CA 3.45Å; Y427-V430 WeakPolarHBondContact O-CB 3.47Å; Y427-V430 PolarHBondContact O-N 2.69Å; Y427-C431 WeakPolarHBondContact CE1-SG 3.44Å; Y427-C431 PolarHBondContact O-N 3.3Å; Y427-C431 PolarHBondContact O-SG 3.23Å; Y427-L441 HydrophobicContact CD2-CD1 3.75Å; Y427-L441 HydrophobicContact CG-CD1 4.4Å; Y427-V516 HydrophobicContact CD2-CG1 4.4Å; Y427-V516 WeakPolarHBondContact CE2-O 3.38Å; Y427-S517 WeakPolarHBondContact OH-CA 3.37Å; Y427-D518 WeakPolarHBondContact CE1-OD1 3.39Å; Y427-D518 PolarHBondContact OH-N 2.64Å; Y427-F521 HydrophobicContact CD1-CD2 4.11Å; Y427-F521 AromaticContact CD1-CE2 3.69Å; Y427-F521 HydrophobicContact CD1-CE2 3.69Å; Y427-F521 HydrophobicContact CD2-CE2 4.36Å; Y427-F521 HydrophobicContact CE1-CE2 4.42Å; Y427-F521 AromaticContact CG-CE2 3.65Å; Y427-F521 HydrophobicContact CG-CE2 3.65Å; Y427-F521 HydrophobicContact CG-CZ 4.46Å
428	N	97.3	Very high	95.9	Very high	60 Å²	60	54.1 Å²	54.1	32%	0.321	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-35.7	174.9	-72.3	-6	0	0	0	112	R424 F426 C431 Q432	R424-N428 WeakPolarHBondContact O-CB 3.23Å; R424-N428 PolarHBondContact O-N 2.86Å; R424-N428 PolarHBondContact O-ND2 2.94Å; R424-N428 PolarHBondContact O-OD1 2.99Å; F426-N428 VanDerWaalsContact C-N 3.34Å; F426-N428 PolarHBondContact O-N 3.24Å; N428-C431 PolarHBondContact O-N 2.78Å; N428-Q432 WeakPolarHBondContact O-CB 3.44Å; N428-Q432 WeakPolarHBondContact O-CG 3.15Å; N428-Q432 PolarHBondContact O-N 2.93Å
429	R	97.5	Very high	96.2	Very high	118 Å²	118	54.3 Å²	54.3	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-71.5	-37.6	177.3	-173	58.9	175.3	158	3.8	112	L387 Q425 F426 Y427 C431 Q432 L433	L387-R429 HydrophobicContact CD1-CB 4.34Å; L387-R429 HydrophobicContact CD1-CG 3.58Å; Q425-R429 PolarHBondContact O-N 3.45Å; F426-R429 WeakPolarHBondContact O-CA 3.29Å; F426-R429 VanDerWaalsContact O-CB 3.32Å; F426-R429 WeakPolarHBondContact O-CB 3.39Å; F426-R429 PolarHBondContact O-N 3.15Å; Y427-R429 PolarHBondContact O-N 2.8Å; R429-C431 VanDerWaalsContact C-N 3.34Å; R429-Q432 PolarHBondContact O-N 2.7Å; R429-L433 HydrophobicContact CG-CD1 4.05Å; R429-L433 WeakPolarHBondContact O-CB 3.43Å; R429-L433 WeakPolarHBondContact O-CG 3.45Å; R429-L433 PolarHBondContact O-N 2.93Å; R429-L433 VanDerWaalsContact O-N 3.14Å
430	V	97.6	Very high	96.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.2	-50.8	170.2	174	0	0	0	0	109.6	L387 F426 Y427 L433 G434 Q435 Q436 V439	L387-V430 HydrophobicContact CD2-CG2 3.75Å; F426-V430 HydrophobicContact CD1-CG2 4.24Å; F426-V430 HydrophobicContact CE1-CG2 3.85Å; F426-V430 HydrophobicContact CZ-CG2 4.06Å; F426-V430 PolarHBondContact O-N 3.23Å; Y427-V430 WeakPolarHBondContact O-CA 3.45Å; Y427-V430 WeakPolarHBondContact O-CB 3.47Å; Y427-V430 PolarHBondContact O-N 2.69Å; V430-L433 PolarHBondContact O-N 2.79Å; V430-G434 PolarHBondContact O-N 3.03Å; V430-G434 VanDerWaalsContact O-N 3.16Å; V430-Q435 HydrophobicContact CG1-CB 4.08Å; V430-Q435 PolarHBondContact O-N 3.16Å; V430-Q436 HydrophobicContact CG1-CG 4.33Å; V430-V439 HydrophobicContact CG1-CB 3.97Å; V430-V439 HydrophobicContact CG2-CB 4.01Å; V430-V439 HydrophobicContact CG2-CG1 3.77Å
431	C	97.1	Very high	96.7	Very high	35 Å²	35	55 Å²	55	24%	0.236	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-44	-179.8	-62.7	0	0	0	0	113.4	Y427 N428 R429 L433 G434	Y427-C431 WeakPolarHBondContact CE1-SG 3.44Å; Y427-C431 PolarHBondContact O-N 3.3Å; Y427-C431 PolarHBondContact O-SG 3.23Å; N428-C431 PolarHBondContact O-N 2.78Å; R429-C431 VanDerWaalsContact C-N 3.34Å; C431-L433 PolarHBondContact O-N 2.76Å; C431-G434 PolarHBondContact O-N 2.86Å; C431-G434 VanDerWaalsContact O-N 3.11Å
432	Q	97.4	Very high	96.9	Very high	137 Å²	137	54.6 Å²	54.6	64%	0.64	27%	0.268	S	S	*	.	H	α-helix	trans	-62.2	-28.1	177.8	-76.8	168.8	5.8	0	0	113.3	N428 R429	N428-Q432 WeakPolarHBondContact O-CB 3.44Å; N428-Q432 WeakPolarHBondContact O-CG 3.15Å; N428-Q432 PolarHBondContact O-N 2.93Å; R429-Q432 PolarHBondContact O-N 2.7Å
433	L	97.3	Very high	97.1	Very high	73 Å²	73	55 Å²	55	38%	0.382	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1	178.8	-68.7	175.1	0	0	0	112.9	L387 R429 V430 C431 Q435	L387-L433 HydrophobicContact CB-CD1 4.33Å; L387-L433 HydrophobicContact CD1-CD1 4.44Å; L387-L433 HydrophobicContact CD2-CD1 4.29Å; R429-L433 HydrophobicContact CG-CD1 4.05Å; R429-L433 WeakPolarHBondContact O-CB 3.43Å; R429-L433 WeakPolarHBondContact O-CG 3.45Å; R429-L433 PolarHBondContact O-N 2.93Å; R429-L433 VanDerWaalsContact O-N 3.14Å; V430-L433 PolarHBondContact O-N 2.79Å; C431-L433 PolarHBondContact O-N 2.76Å; L433-Q435 VanDerWaalsContact C-N 3.35Å; L433-Q435 HydrophobicContact CB-CG 3.72Å; L433-Q435 WeakPolarHBondContact O-CG 3.23Å
434	G	96.5	Very high	97.2	Very high	57 Å²	57	54.5 Å²	54.5	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	31	-178.7	0	0	0	0	0	113.7	V430 C431	V430-G434 PolarHBondContact O-N 3.03Å; V430-G434 VanDerWaalsContact O-N 3.16Å; C431-G434 PolarHBondContact O-N 2.86Å; C431-G434 VanDerWaalsContact O-N 3.11Å
435	Q	96.8	Very high	97.2	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.154	26%	0.257	C	S	.	.			trans	-103.5	16.4	-171.8	-54	-160.1	94	0	0	114.1	L387 V430 L433 E437 R438 V439	L387-Q435 PolarHBondContact O-NE2 3.38Å; L387-Q435 PolarHBondContact O-OE1 3.01Å; V430-Q435 HydrophobicContact CG1-CB 4.08Å; V430-Q435 PolarHBondContact O-N 3.16Å; L433-Q435 VanDerWaalsContact C-N 3.35Å; L433-Q435 HydrophobicContact CB-CG 3.72Å; L433-Q435 WeakPolarHBondContact O-CG 3.23Å; Q435-E437 PolarHBondContact O-N 3.5Å; Q435-R438 HydrophobicContact CB-CG 4.27Å; Q435-R438 PolarHBondContact O-N 3.39Å; Q435-V439 HydrophobicContact CB-CG2 4.32Å; Q435-V439 PolarHBondContact O-N 2.89Å
436	Q	95.9	Very high	97.2	Very high	83 Å²	83	49 Å²	49	39%	0.388	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.2	-177.2	-60.1	93	-59.1	0	0	113.4	V430 R438 H440	V430-Q436 HydrophobicContact CG1-CG 4.33Å; Q436-R438 VanDerWaalsContact C-N 3.28Å; Q436-R438 PolarHBondContact O-N 2.85Å; Q436-H440 PolarHBondContact O-CE1 2.85Å
437	E	96.1	Very high	97	Very high	184 Å²	184	54 Å²	54	86%	0.86	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.7	178.4	-64.2	-175.1	167.9	0	0	113.5	Q435 H440	Q435-E437 PolarHBondContact O-N 3.5Å; E437-H440 PolarHBondContact O-NE2 3.44Å
438	R	96.3	Very high	96.9	Very high	35 Å²	35	61.1 Å²	61.1	13%	0.132	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-20.4	-176.4	76	175.1	-165	76.9	1	114.1	V386 L387 T389 A391 S392 Y393 Q435 Q436	V386-R438 VanDerWaalsContact O-CZ 3.28Å; V386-R438 PolarHBondContact O-NH1 3.47Å; V386-R438 PolarHBondContact O-NH2 2.87Å; L387-R438 VanDerWaalsContact CA-NH2 3.28Å; L387-R438 PolarHBondContact O-NH2 2.77Å; T389-R438 PolarHBondContact O-NH1 2.89Å; T389-R438 VanDerWaalsContact O-NH1 3.16Å; T389-R438 PolarHBondContact O-NH2 2.79Å; A391-R438 PolarHBondContact O-NH1 2.91Å; S392-R438 CarbonylContact C-O 3.56Å; S392-R438 WeakPolarHBondContact CA-O 3.4Å; Y393-R438 PolarHBondContact N-O 2.89Å; Q435-R438 HydrophobicContact CB-CG 4.27Å; Q435-R438 PolarHBondContact O-N 3.39Å; Q436-R438 VanDerWaalsContact C-N 3.28Å; Q436-R438 PolarHBondContact O-N 2.85Å
439	V	98.1	Very high	96.8	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	102.7	179.9	-173.3	0	0	0	0	109.5	V386 Y393 F426 V430 Q435	V386-V439 HydrophobicContact CG1-CG1 3.97Å; V386-V439 HydrophobicContact CG1-CG2 4.17Å; Y393-V439 WeakPolarHBondContact O-CA 3.45Å; F426-V439 HydrophobicContact CE1-CG1 3.91Å; F426-V439 HydrophobicContact CZ-CG1 3.98Å; V430-V439 HydrophobicContact CG1-CB 3.97Å; V430-V439 HydrophobicContact CG2-CB 4.01Å; V430-V439 HydrophobicContact CG2-CG1 3.77Å; Q435-V439 HydrophobicContact CB-CG2 4.32Å; Q435-V439 PolarHBondContact O-N 2.89Å
440	H	98.2	Very high	96.8	Very high	30 Å²	30	56.7 Å²	56.7	14%	0.139	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.4	-178.8	-55.8	-83	0	0	0	110	Y393 H394 I395 Q436 E437 E515	Y393-H440 PolarHBondContact O-N 3.43Å; H394-H440 CarbonylContact C-O 3.18Å; H394-H440 WeakPolarHBondContact CA-O 3.36Å; H394-H440 AromaticContact CE1-CD2 3.36Å; H394-H440 PolarHBondContact CE1-CD2 2.83Å; H394-H440 AromaticContact CE1-CG 3.8Å; H394-H440 AromaticContact ND1-CD2 3.71Å; H394-H440 AromaticContact ND1-CG 3.79Å; H394-H440 AromaticContact NE2-CD2 3.88Å; I395-H440 PolarHBondContact N-O 2.93Å; Q436-H440 PolarHBondContact O-CE1 2.85Å; E437-H440 PolarHBondContact O-NE2 3.44Å; H440-E515 IonicContact CE1-OE1 3.41Å; H440-E515 IonicContact CG-OE1 3.7Å; H440-E515 IonicContact ND1-OE1 4Å; H440-E515 PolarHBondContact ND1-OE1 3.04Å
441	L	98.2	Very high	96.8	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.8	173.3	-75.1	129	0	0	0	108.6	F376 I395 F426 Y427 E515 V516	F376-L441 HydrophobicContact CD2-CD2 3.72Å; F376-L441 HydrophobicContact CE2-CD2 3.48Å; F376-L441 VanDerWaalsContact CE2-CD2 3.48Å; F376-L441 HydrophobicContact CZ-CD2 4.18Å; I395-L441 HydrophobicContact CB-CD2 4.46Å; I395-L441 CarbonylContact O-C 3.5Å; F426-L441 HydrophobicContact CD1-CD1 3.77Å; F426-L441 HydrophobicContact CD1-CD2 3.91Å; F426-L441 HydrophobicContact CD1-CG 4.29Å; F426-L441 HydrophobicContact CE1-CD1 3.96Å; F426-L441 HydrophobicContact CE1-CD2 4.16Å; F426-L441 HydrophobicContact CE1-CG 4.28Å; Y427-L441 HydrophobicContact CD2-CD1 3.75Å; Y427-L441 HydrophobicContact CG-CD1 4.4Å; L441-E515 CarbonylContact O-C 3.44Å; L441-E515 WeakPolarHBondContact O-CA 3.47Å; L441-V516 HydrophobicContact CB-CB 3.87Å; L441-V516 HydrophobicContact CB-CG2 4.08Å; L441-V516 WeakPolarHBondContact O-CB 3.44Å; L441-V516 PolarHBondContact O-N 2.84Å
442	H	98.3	Very high	96.7	Very high	23 Å²	23	55.9 Å²	55.9	11%	0.106	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.9	-179.2	-64.2	-99.9	0	0	0	110.9	H394 I395 L396 T397 Y510 T514	H394-H442 AromaticContact ND1-NE2 3.57Å; I395-H442 PolarHBondContact O-N 2.84Å; L396-H442 HydrophobicContact CD1-CB 3.76Å; T397-H442 PolarHBondContact N-O 2.89Å; H442-Y510 HydrophobicContact CB-CE1 4.45Å; H442-Y510 AromaticContact CD2-CE1 3.99Å; H442-T514 CarbonylContact C-O 3.52Å; H442-T514 VanDerWaalsContact CA-O 3.29Å; H442-T514 WeakPolarHBondContact CA-O 3.22Å
443	E	97.4	Very high	96.7	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.5	172.3	-76.5	-175.3	168.3	0	0	109.9	T397 H445 S513 T514 V516 R526	T397-E443 CarbonylContact O-C 3.58Å; T397-E443 WeakPolarHBondContact O-CA 3.24Å; E443-H445 PolarHBondContact O-CD2 2.83Å; E443-H445 PolarHBondContact O-NE2 2.91Å; E443-S513 CarbonylContact O-C 3.55Å; E443-S513 WeakPolarHBondContact O-CA 3.48Å; E443-S513 WeakPolarHBondContact O-CB 3.44Å; E443-T514 PolarHBondContact N-O 2.75Å; E443-T514 PolarHBondContact O-N 3.08Å; E443-V516 HydrophobicContact CG-CG2 3.75Å; E443-R526 IonicContact OE1-NE 3.05Å; E443-R526 PolarHBondContact OE1-NE 3.4Å; E443-R526 IonicContact OE1-NH2 3.07Å; E443-R526 IonicContact OE2-CZ 2.76Å; E443-R526 IonicContact OE2-NE 3.91Å; E443-R526 IonicContact OE2-NH2 3.64Å; E443-R526 PolarHBondContact OE2-NH2 2.84Å
444	Y	97.9	Very high	96.6	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.8	175.8	-176.7	-89.5	0	0	0	111.1	L396 T397 S399 V402 R446 F451 L509 R512	L396-Y444 HydrophobicContact CD2-CD2 4.46Å; T397-Y444 PolarHBondContact O-N 3.35Å; S399-Y444 WeakPolarHBondContact CB-O 3.47Å; S399-Y444 PolarHBondContact N-O 3.12Å; S399-Y444 VanDerWaalsContact N-O 3.12Å; S399-Y444 PolarHBondContact OG-O 3.4Å; V402-Y444 HydrophobicContact CG2-CD1 4.18Å; V402-Y444 VanDerWaalsContact CG2-O 3.27Å; V402-Y444 WeakPolarHBondContact CG2-O 3.31Å; Y444-R446 HydrophobicContact CD1-CB 4.49Å; Y444-R446 HydrophobicContact CE1-CB 3.57Å; Y444-R446 WeakPolarHBondContact OH-CD 3.34Å; Y444-F451 HydrophobicContact CD1-CB 3.74Å; Y444-F451 AromaticContact CD1-CD2 3.39Å; Y444-F451 HydrophobicContact CD1-CD2 3.39Å; Y444-F451 HydrophobicContact CD1-CE2 4.16Å; Y444-F451 AromaticContact CD1-CG 3.77Å; Y444-F451 HydrophobicContact CD1-CG 3.77Å; Y444-F451 AromaticContact CD2-CD2 3.7Å; Y444-F451 HydrophobicContact CD2-CD2 3.7Å; Y444-F451 AromaticContact CD2-CE2 3.6Å; Y444-F451 HydrophobicContact CD2-CE2 3.6Å; Y444-F451 HydrophobicContact CD2-CZ 4.44Å; Y444-F451 HydrophobicContact CE1-CB 4.27Å; Y444-F451 AromaticContact CE1-CD2 3.72Å; Y444-F451 HydrophobicContact CE1-CD2 3.72Å; Y444-F451 HydrophobicContact CE1-CG 4.39Å; Y444-F451 AromaticContact CE2-CD2 3.99Å; Y444-F451 HydrophobicContact CE2-CD2 3.99Å; Y444-F451 AromaticContact CE2-CE2 4Å; Y444-F451 HydrophobicContact CE2-CE2 4Å; Y444-F451 HydrophobicContact CG-CB 4.34Å; Y444-F451 AromaticContact CG-CD2 3.37Å; Y444-F451 HydrophobicContact CG-CD2 3.37Å; Y444-F451 AromaticContact CG-CE2 3.67Å; Y444-F451 HydrophobicContact CG-CE2 3.67Å; Y444-F451 AromaticContact CG-CG 3.88Å; Y444-F451 HydrophobicContact CG-CG 3.88Å; Y444-F451 HydrophobicContact CG-CZ 4.4Å; Y444-L509 WeakPolarHBondContact CD2-O 3.4Å; Y444-L509 HydrophobicContact CE2-CD2 4.42Å; Y444-R512 HydrophobicContact CD2-CB 3.98Å; Y444-R512 HydrophobicContact CE2-CB 3.55Å; Y444-R512 HydrophobicContact CE2-CG 4.35Å; Y444-R512 VanDerWaalsContact OH-CD 3.29Å; Y444-R512 WeakPolarHBondContact OH-CD 3.45Å
445	H	96.2	Very high	96.7	Very high	52 Å²	52	43.2 Å²	43.2	24%	0.241	21%	0.209	C	C	.	.			trans	-132.8	131.9	177.9	-58	-91.6	0	0	0	111.4	S399 E401 E443 R512 T514	S399-H445 WeakPolarHBondContact CB-CE1 3.06Å; S399-H445 WeakPolarHBondContact CB-ND1 3.28Å; S399-H445 PolarHBondContact OG-ND1 2.84Å; E401-H445 IonicContact OE2-ND1 3.21Å; E443-H445 PolarHBondContact O-CD2 2.83Å; E443-H445 PolarHBondContact O-NE2 2.91Å; H445-R512 PolarHBondContact N-O 3.05Å; H445-T514 PolarHBondContact NE2-OG1 3.02Å
446	R	96.1	Very high	96.7	Very high	48 Å²	48	41.7 Å²	41.7	18%	0.181	20%	0.202	C	C	.	.			trans	-158.9	109.5	169.3	-173.7	174.5	-178.9	173.6	2.8	108.7	V402 Y444 Q448 W449 R512	V402-R446 WeakPolarHBondContact CG1-O 3.46Å; Y444-R446 HydrophobicContact CD1-CB 4.49Å; Y444-R446 HydrophobicContact CE1-CB 3.57Å; Y444-R446 WeakPolarHBondContact OH-CD 3.34Å; R446-Q448 PolarHBondContact O-N 2.79Å; R446-W449 HydrophobicContact CB-CB 3.86Å; R446-W449 HydrophobicContact CB-CG 4.29Å; R446-W449 VanDerWaalsContact CD-CD2 3.46Å; R446-W449 HydrophobicContact CG-CB 3.7Å; R446-W449 HydrophobicContact CG-CD2 4.22Å; R446-W449 HydrophobicContact CG-CG 3.56Å; R446-W449 VanDerWaalsContact NH1-CZ3 3.27Å; R446-W449 VanDerWaalsContact NH2-CE2 3.31Å; R446-W449 PolarHBondContact O-N 2.83Å; R446-W449 VanDerWaalsContact O-N 3.15Å; R446-R512 VanDerWaalsContact NE-NH1 3.14Å
447	P	94.5	Very high	96.9	Very high	113 Å²	113	37.8 Å²	37.8	73%	0.734	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	139.6	179.9	-27	35	0	0	0	111.5	W449	P447-W449 VanDerWaalsContact O-CD1 3.26Å; P447-W449 PolarHBondContact O-N 3.03Å
448	Q	93.8	Very high	97	Very high	178 Å²	178	29.1 Å²	29.1	83%	0.832	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	8.4	-179.9	-52.6	172.5	-21.4	0	0	115.7	N242 R446	N242-Q448 PolarHBondContact ND2-O 3.45Å; R446-Q448 PolarHBondContact O-N 2.79Å
449	W	96.6	Very high	97	Very high	52 Å²	52	28.2 Å²	28.2	20%	0.197	14%	0.139	C	C	.	.			trans	-115.8	158.1	177.4	-75	60.8	0	0	0	110.9	P101 T241 N242 V402 R446 P447	P101-W449 HydrophobicContact CG-CH2 4.17Å; P101-W449 HydrophobicContact CG-CZ3 3.8Å; T241-W449 WeakPolarHBondContact O-CH2 3.44Å; N242-W449 VanDerWaalsContact CA-CE3 3.5Å; N242-W449 HydrophobicContact CB-CD2 3.85Å; N242-W449 HydrophobicContact CB-CE3 4.25Å; N242-W449 HydrophobicContact CB-CG 4.15Å; N242-W449 HydrophobicContact CB-CZ2 4.19Å; N242-W449 VanDerWaalsContact O-CA 3.22Å; N242-W449 WeakPolarHBondContact O-CA 3.2Å; N242-W449 WeakPolarHBondContact O-CB 3.33Å; V402-W449 WeakPolarHBondContact CB-O 3.47Å; V402-W449 WeakPolarHBondContact CG1-O 3.33Å; R446-W449 HydrophobicContact CB-CB 3.86Å; R446-W449 HydrophobicContact CB-CG 4.29Å; R446-W449 VanDerWaalsContact CD-CD2 3.46Å; R446-W449 HydrophobicContact CG-CB 3.7Å; R446-W449 HydrophobicContact CG-CD2 4.22Å; R446-W449 HydrophobicContact CG-CG 3.56Å; R446-W449 VanDerWaalsContact NH1-CZ3 3.27Å; R446-W449 VanDerWaalsContact NH2-CE2 3.31Å; R446-W449 PolarHBondContact O-N 2.83Å; R446-W449 VanDerWaalsContact O-N 3.15Å; P447-W449 VanDerWaalsContact O-CD1 3.26Å; P447-W449 PolarHBondContact O-N 3.03Å
450	T	96.5	Very high	96.8	Very high	34 Å²	34	29.3 Å²	29.3	21%	0.209	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	156.3	166.2	58.5	0	0	0	0	110.9	N242 R243 Q244 V402	N242-T450 PolarHBondContact O-N 2.89Å; R243-T450 CarbonylContact C-O 3.55Å; R243-T450 WeakPolarHBondContact CA-O 3.49Å; R243-T450 WeakPolarHBondContact CB-OG1 3.13Å; R243-T450 WeakPolarHBondContact CD-OG1 3.46Å; R243-T450 VanDerWaalsContact CG-OG1 3.23Å; R243-T450 WeakPolarHBondContact CG-OG1 3.28Å; R243-T450 PolarHBondContact NH1-OG1 2.73Å; Q244-T450 PolarHBondContact N-O 3.25Å; V402-T450 CarbonylContact O-C 3.55Å; V402-T450 VanDerWaalsContact O-CA 3.23Å; V402-T450 WeakPolarHBondContact O-CA 3.41Å; V402-T450 WeakPolarHBondContact O-CB 3.46Å
451	F	96.9	Very high	96.2	Very high	2 Å²	2	37 Å²	37	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135	-178.3	-176.3	-98.1	0	0	0	111.4	Q244 T372 L396 A398 V402 Y444 A453 L509	Q244-F451 HydrophobicContact CB-CD2 4.07Å; Q244-F451 HydrophobicContact CG-CD2 4.2Å; Q244-F451 HydrophobicContact CG-CE2 4.35Å; T372-F451 VanDerWaalsContact OG1-CZ 3.31Å; T372-F451 WeakPolarHBondContact OG1-CZ 3.17Å; L396-F451 HydrophobicContact CD2-CE2 4.3Å; L396-F451 HydrophobicContact CD2-CZ 3.82Å; L396-F451 HydrophobicContact CG-CE1 4.47Å; L396-F451 HydrophobicContact CG-CZ 3.99Å; A398-F451 HydrophobicContact CB-CB 4.02Å; A398-F451 HydrophobicContact CB-CD1 3.96Å; A398-F451 HydrophobicContact CB-CG 4.45Å; V402-F451 HydrophobicContact CB-CB 4.38Å; V402-F451 HydrophobicContact CG2-CB 3.79Å; V402-F451 PolarHBondContact O-N 2.72Å; Y444-F451 HydrophobicContact CD1-CB 3.74Å; Y444-F451 AromaticContact CD1-CD2 3.39Å; Y444-F451 HydrophobicContact CD1-CD2 3.39Å; Y444-F451 HydrophobicContact CD1-CE2 4.16Å; Y444-F451 AromaticContact CD1-CG 3.77Å; Y444-F451 HydrophobicContact CD1-CG 3.77Å; Y444-F451 AromaticContact CD2-CD2 3.7Å; Y444-F451 HydrophobicContact CD2-CD2 3.7Å; Y444-F451 AromaticContact CD2-CE2 3.6Å; Y444-F451 HydrophobicContact CD2-CE2 3.6Å; Y444-F451 HydrophobicContact CD2-CZ 4.44Å; Y444-F451 HydrophobicContact CE1-CB 4.27Å; Y444-F451 AromaticContact CE1-CD2 3.72Å; Y444-F451 HydrophobicContact CE1-CD2 3.72Å; Y444-F451 HydrophobicContact CE1-CG 4.39Å; Y444-F451 AromaticContact CE2-CD2 3.99Å; Y444-F451 HydrophobicContact CE2-CD2 3.99Å; Y444-F451 AromaticContact CE2-CE2 4Å; Y444-F451 HydrophobicContact CE2-CE2 4Å; Y444-F451 HydrophobicContact CG-CB 4.34Å; Y444-F451 AromaticContact CG-CD2 3.37Å; Y444-F451 HydrophobicContact CG-CD2 3.37Å; Y444-F451 AromaticContact CG-CE2 3.67Å; Y444-F451 HydrophobicContact CG-CE2 3.67Å; Y444-F451 AromaticContact CG-CG 3.88Å; Y444-F451 HydrophobicContact CG-CG 3.88Å; Y444-F451 HydrophobicContact CG-CZ 4.4Å; F451-A453 HydrophobicContact CE1-CB 4.21Å; F451-A453 HydrophobicContact CE2-CB 3.79Å; F451-A453 HydrophobicContact CZ-CB 3.59Å; F451-L509 HydrophobicContact CE2-CD2 4.24Å
452	H	96.8	Very high	95.4	Very high	15 Å²	15	39.9 Å²	39.9	7%	0.069	20%	0.204	C	C	.	.			trans	-153.1	16	-177.2	-165	-107.4	0	0	0	114.1	Y239 R243 Q244 D245 K454	Y239-H452 HydrophobicContact CE1-CB 4.34Å; Y239-H452 AromaticContact CE1-ND1 3.86Å; Y239-H452 AromaticContact CZ-ND1 3.85Å; Y239-H452 PolarHBondContact OH-CE1 2.63Å; Y239-H452 PolarHBondContact OH-ND1 3.12Å; R243-H452 HydrophobicContact CG-CB 4.26Å; R243-H452 PolarHBondContact NH2-CD2 2.77Å; Q244-H452 PolarHBondContact O-N 2.89Å; D245-H452 IonicContact OD2-CE1 3.51Å; D245-H452 IonicContact OD2-CG 2.97Å; D245-H452 IonicContact OD2-ND1 3.49Å; D245-H452 PolarHBondContact OD2-ND1 3.33Å; H452-K454 WeakPolarHBondContact CE1-CE 3.42Å; H452-K454 PolarHBondContact CE1-NZ 3.24Å; H452-K454 VanDerWaalsContact CE1-NZ 3.25Å; H452-K454 WeakPolarHBondContact ND1-CE 3.42Å; H452-K454 WeakPolarHBondContact O-CG 3.37Å
453	A	96.8	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.			trans	-60.1	147.1	177.5	0	0	0	0	0	112.4	Q244 R246 T372 S373 G374 F451 L509	Q244-A453 PolarHBondContact O-N 3.35Å; R246-A453 HydrophobicContact CG-CB 3.9Å; T372-A453 HydrophobicContact CG2-CB 3.99Å; S373-A453 CarbonylContact C-O 3.51Å; S373-A453 VanDerWaalsContact CA-O 3.26Å; S373-A453 WeakPolarHBondContact CA-O 3.42Å; G374-A453 PolarHBondContact N-O 3.24Å; F451-A453 HydrophobicContact CE1-CB 4.21Å; F451-A453 HydrophobicContact CE2-CB 3.79Å; F451-A453 HydrophobicContact CZ-CB 3.59Å; A453-L509 HydrophobicContact CB-CD1 4.4Å
454	K	95.9	Very high	94.7	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.248	C	C	.	.			trans	-142.2	141.6	-177.5	-53.6	165.9	-160.7	-141.1	0	110.9	H218 R246 T372 H452 S473 P474 N475	H218-K454 PolarHBondContact CE1-NZ 2.94Å; R246-K454 WeakPolarHBondContact CD-O 3.39Å; R246-K454 PolarHBondContact NH1-O 2.88Å; T372-K454 WeakPolarHBondContact O-CA 3.14Å; H452-K454 WeakPolarHBondContact CE1-CE 3.42Å; H452-K454 PolarHBondContact CE1-NZ 3.24Å; H452-K454 VanDerWaalsContact CE1-NZ 3.25Å; H452-K454 WeakPolarHBondContact ND1-CE 3.42Å; H452-K454 WeakPolarHBondContact O-CG 3.37Å; K454-S473 VanDerWaalsContact CD-O 3.26Å; K454-S473 WeakPolarHBondContact CD-O 3.48Å; K454-S473 PolarHBondContact NZ-O 2.89Å; K454-P474 WeakPolarHBondContact CB-O 3.44Å; K454-P474 WeakPolarHBondContact CD-O 3.22Å; K454-N475 WeakPolarHBondContact CD-OD1 3.36Å; K454-N475 WeakPolarHBondContact CE-OD1 3.33Å; K454-N475 VanDerWaalsContact CG-OD1 3.26Å; K454-N475 WeakPolarHBondContact CG-OD1 3.38Å; K454-N475 PolarHBondContact NZ-ND2 2.69Å; K454-N475 VanDerWaalsContact NZ-ND2 3.15Å; K454-N475 PolarHBondContact NZ-OD1 2.91Å
455	G	97.4	Very high	94.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.6	-161.7	169.4	0	0	0	0	0	111.4	T372 L470	T372-G455 PolarHBondContact N-O 3.43Å; T372-G455 PolarHBondContact O-N 3.28Å; G455-L470 WeakPolarHBondContact CA-O 3.04Å
456	L	97.9	Very high	94.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.5	173.7	64.8	80.9	0	0	0	111.8	V369 F370 L371 L468 T469 L470	V369-L456 HydrophobicContact CG1-CB 4.25Å; V369-L456 HydrophobicContact CG1-CD2 4.38Å; F370-L456 CarbonylContact O-C 3.57Å; F370-L456 WeakPolarHBondContact O-CA 3.37Å; F370-L456 VanDerWaalsContact O-CB 3.26Å; F370-L456 WeakPolarHBondContact O-CB 3.48Å; L371-L456 HydrophobicContact CB-CB 4.45Å; L456-L468 HydrophobicContact CD1-CD2 3.63Å; L456-T469 CarbonylContact O-C 3.58Å; L456-T469 WeakPolarHBondContact O-CA 3.43Å; L456-T469 WeakPolarHBondContact O-CB 3.04Å; L456-T469 PolarHBondContact O-OG1 3.11Å; L456-L470 HydrophobicContact CD1-CB 4.49Å; L456-L470 HydrophobicContact CD1-CD1 4.41Å; L456-L470 HydrophobicContact CD1-CG 3.99Å; L456-L470 HydrophobicContact CD2-CD1 3.53Å; L456-L470 HydrophobicContact CD2-CG 4.02Å; L456-L470 HydrophobicContact CG-CB 3.95Å; L456-L470 HydrophobicContact CG-CD1 3.81Å; L456-L470 HydrophobicContact CG-CG 3.73Å; L456-L470 PolarHBondContact N-O 3.41Å; L456-L470 PolarHBondContact O-N 3.32Å
457	W	98.6	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.7	166.6	-55.9	-99.8	0	0	0	107.5	R246 V369 F370 T372 Y459 P466 L468 L502 E505 Q506 L509 Y510	R246-W457 VanDerWaalsContact CZ-CZ2 3.4Å; V369-W457 WeakPolarHBondContact CA-O 3.41Å; F370-W457 HydrophobicContact CB-CB 4.37Å; F370-W457 HydrophobicContact CB-CE3 3.85Å; F370-W457 PolarHBondContact N-O 3.05Å; F370-W457 PolarHBondContact O-N 2.78Å; T372-W457 HydrophobicContact CG2-CH2 3.72Å; T372-W457 HydrophobicContact CG2-CZ3 3.73Å; W457-Y459 HydrophobicContact CB-CE2 3.9Å; W457-P466 HydrophobicContact CB-CB 3.87Å; W457-P466 HydrophobicContact CB-CG 4.41Å; W457-L468 WeakPolarHBondContact CA-O 3.41Å; W457-L502 PolarHBondContact NE1-O 3.44Å; W457-E505 HydrophobicContact CZ2-CG 4.11Å; W457-E505 WeakPolarHBondContact CZ2-OE2 3.47Å; W457-E505 PolarHBondContact NE1-OE2 3.28Å; W457-Q506 HydrophobicContact CB-CG 4.49Å; W457-Q506 HydrophobicContact CD2-CB 3.83Å; W457-Q506 HydrophobicContact CD2-CG 3.9Å; W457-Q506 HydrophobicContact CE3-CB 4.31Å; W457-Q506 HydrophobicContact CE3-CG 3.96Å; W457-Q506 HydrophobicContact CG-CB 4.02Å; W457-Q506 HydrophobicContact CG-CG 4.16Å; W457-Q506 HydrophobicContact CZ2-CB 4.3Å; W457-Q506 HydrophobicContact CZ3-CG 4.49Å; W457-L509 HydrophobicContact CH2-CD1 3.56Å; W457-L509 HydrophobicContact CZ2-CD1 3.9Å; W457-Y510 HydrophobicContact CZ3-CE2 4.21Å
458	Y	98.1	Very high	94.8	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.2	-172.9	-168.4	-65.7	0	0	0	109.3	F78 A363 S367 V369 L460 P466 C467 L468	F78-Y458 AromaticContact CZ-CD1 3.88Å; F78-Y458 HydrophobicContact CZ-CD1 3.88Å; F78-Y458 HydrophobicContact CZ-CE1 4.03Å; F78-Y458 HydrophobicContact CZ-CG 4.44Å; A363-Y458 VanDerWaalsContact CA-OH 3.28Å; A363-Y458 WeakPolarHBondContact CA-OH 3.39Å; A363-Y458 HydrophobicContact CB-CE2 3.99Å; S367-Y458 VanDerWaalsContact CB-OH 3.32Å; S367-Y458 WeakPolarHBondContact CB-OH 3.17Å; S367-Y458 PolarHBondContact OG-OH 3.34Å; V369-Y458 HydrophobicContact CG2-CD2 3.63Å; V369-Y458 HydrophobicContact CG2-CE2 3.74Å; V369-Y458 HydrophobicContact CG2-CG 4.36Å; Y458-L460 HydrophobicContact CE1-CD2 3.73Å; Y458-L460 HydrophobicContact CE1-CG 4.13Å; Y458-P466 CarbonylContact O-C 3.38Å; Y458-P466 WeakPolarHBondContact O-CA 3.35Å; Y458-C467 PolarHBondContact O-N 3.45Å; Y458-L468 PolarHBondContact N-O 2.96Å; Y458-L468 PolarHBondContact O-N 2.81Å
459	Y	96.9	Very high	95	Very high	15 Å²	15	34 Å²	34	6%	0.059	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.2	-179.4	-60.4	-110.7	0	0	0	107.9	S367 T368 F370 W457 R465 P466 Q503	S367-Y459 WeakPolarHBondContact CA-O 3.46Å; T368-Y459 PolarHBondContact N-O 3.49Å; T368-Y459 WeakPolarHBondContact O-CD2 3.42Å; T368-Y459 PolarHBondContact O-N 2.77Å; F370-Y459 AromaticContact CD2-CD2 3.95Å; F370-Y459 HydrophobicContact CD2-CD2 3.95Å; F370-Y459 AromaticContact CD2-CE2 3.46Å; F370-Y459 HydrophobicContact CD2-CE2 3.46Å; F370-Y459 VanDerWaalsContact CD2-CE2 3.46Å; F370-Y459 HydrophobicContact CE2-CD2 4.35Å; F370-Y459 AromaticContact CE2-CE2 3.95Å; F370-Y459 HydrophobicContact CE2-CE2 3.95Å; F370-Y459 HydrophobicContact CG-CE2 4.43Å; W457-Y459 HydrophobicContact CB-CE2 3.9Å; Y459-R465 VanDerWaalsContact CD1-C 3.42Å; Y459-R465 VanDerWaalsContact CE1-C 3.44Å; Y459-P466 HydrophobicContact CD1-CB 4.43Å; Y459-P466 HydrophobicContact CD2-CB 4.2Å; Y459-P466 HydrophobicContact CE1-CB 4.07Å; Y459-P466 VanDerWaalsContact CE1-CD 3.5Å; Y459-P466 HydrophobicContact CE1-CG 4.29Å; Y459-P466 VanDerWaalsContact CE1-N 3.31Å; Y459-P466 HydrophobicContact CE2-CB 3.77Å; Y459-P466 HydrophobicContact CE2-CG 4.44Å; Y459-P466 HydrophobicContact CG-CB 4.48Å; Y459-Q503 VanDerWaalsContact CZ-OE1 3.28Å; Y459-Q503 PolarHBondContact OH-OE1 3.22Å
460	L	93.3	Very high	95.1	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.141	16%	0.161	C	C	.	.			trans	-79.8	163.8	167.8	-74.6	174.2	0	0	0	110.6	L74 H77 F78 Y458 G462 Q463	L74-L460 HydrophobicContact CD2-CD1 3.48Å; L74-L460 VanDerWaalsContact CD2-CD1 3.48Å; H77-L460 HydrophobicContact CB-CD1 4.35Å; F78-L460 HydrophobicContact CE2-CD1 4.03Å; F78-L460 HydrophobicContact CE2-CG 4.41Å; F78-L460 HydrophobicContact CZ-CD1 4.41Å; F78-L460 HydrophobicContact CZ-CD2 4.42Å; F78-L460 HydrophobicContact CZ-CG 4.36Å; Y458-L460 HydrophobicContact CE1-CD2 3.73Å; Y458-L460 HydrophobicContact CE1-CG 4.13Å; L460-G462 PolarHBondContact O-N 3.39Å; L460-Q463 HydrophobicContact CB-CG 4.48Å; L460-Q463 WeakPolarHBondContact O-CB 3.45Å; L460-Q463 PolarHBondContact O-N 2.97Å
461	W	85.6	Confident	95.2	Very high	191 Å²	191	30 Å²	30	72%	0.723	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	136.3	179.5	-173.3	65.2	0	0	0	112.7	D366 Q463	D366-W461 HydrophobicContact CB-CB 3.65Å; D366-W461 HydrophobicContact CB-CG 3.64Å; D366-W461 VanDerWaalsContact O-CA 3.27Å; D366-W461 WeakPolarHBondContact O-CA 3.42Å; D366-W461 WeakPolarHBondContact O-CB 3.09Å; D366-W461 PolarHBondContact O-N 3.23Å; W461-Q463 PolarHBondContact O-N 2.82Å
462	G	82.6	Confident	95.2	Very high	68 Å²	68	29.9 Å²	29.9	70%	0.701	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	7.3	178.6	0	0	0	0	0	114.6	L460	L460-G462 PolarHBondContact O-N 3.39Å
463	Q	88.6	Confident	95.1	Very high	60 Å²	60	29.2 Å²	29.2	28%	0.28	15%	0.148	S	C	.	.			trans	-103.3	131.9	175.2	-60.2	-167.2	-5	0	0	111.7	L460 W461 R465	L460-Q463 HydrophobicContact CB-CG 4.48Å; L460-Q463 WeakPolarHBondContact O-CB 3.45Å; L460-Q463 PolarHBondContact O-N 2.97Å; W461-Q463 PolarHBondContact O-N 2.82Å; Q463-R465 VanDerWaalsContact C-N 3.32Å
464	D	91.9	Very high	95	Very high	148 Å²	148	29.3 Å²	29.3	79%	0.791	15%	0.149	S	C	*	.	S	Bend	trans	-87.6	-4.2	177.8	-61.4	-32.2	0	0	0	112.8
465	R	96.5	Very high	94.7	Very high	96 Å²	96	29.6 Å²	29.6	36%	0.362	15%	0.15	S	C	.	.	S	Bend	trans	-134.2	152.5	-177	-63.2	-179.1	-178.5	159.6	-1.4	110.6	Y459 Q463 C467 E496 Q499 S500 Q503	Y459-R465 VanDerWaalsContact CD1-C 3.42Å; Y459-R465 VanDerWaalsContact CE1-C 3.44Å; Q463-R465 VanDerWaalsContact C-N 3.32Å; R465-C467 PolarHBondContact O-N 3.05Å; R465-E496 PolarHBondContact NH1-O 3.44Å; R465-Q499 HydrophobicContact CB-CB 3.99Å; R465-S500 PolarHBondContact NE-OG 3.02Å; R465-S500 PolarHBondContact NH1-OG 3.25Å; R465-S500 PolarHBondContact NH2-OG 3.21Å; R465-Q503 HydrophobicContact CG-CB 4.41Å
466	P	97.4	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.			trans	-74.3	132.2	-179.1	30.4	-33.2	0	0	0	110	W457 Y458 Y459 Q499 L502	W457-P466 HydrophobicContact CB-CB 3.87Å; W457-P466 HydrophobicContact CB-CG 4.41Å; Y458-P466 CarbonylContact O-C 3.38Å; Y458-P466 WeakPolarHBondContact O-CA 3.35Å; Y459-P466 HydrophobicContact CD1-CB 4.43Å; Y459-P466 HydrophobicContact CD2-CB 4.2Å; Y459-P466 HydrophobicContact CE1-CB 4.07Å; Y459-P466 VanDerWaalsContact CE1-CD 3.5Å; Y459-P466 HydrophobicContact CE1-CG 4.29Å; Y459-P466 VanDerWaalsContact CE1-N 3.31Å; Y459-P466 HydrophobicContact CE2-CB 3.77Å; Y459-P466 HydrophobicContact CE2-CG 4.44Å; Y459-P466 HydrophobicContact CG-CB 4.48Å; P466-Q499 WeakPolarHBondContact O-CG 3.35Å; P466-L502 HydrophobicContact CG-CB 3.58Å
467	C	95.3	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-97.6	-16	176.7	63.2	0	0	0	0	113.5	L74 Y458 R465 V492 T493	L74-C467 HydrophobicContact CD1-CB 4.04Å; L74-C467 HydrophobicContact CD2-CB 3.28Å; L74-C467 VanDerWaalsContact CD2-SG 3.5Å; L74-C467 HydrophobicContact CG-CB 4.29Å; Y458-C467 PolarHBondContact O-N 3.45Å; R465-C467 PolarHBondContact O-N 3.05Å; C467-V492 WeakPolarHBondContact O-CA 3.33Å; C467-T493 PolarHBondContact O-N 3.12Å
468	L	97.6	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.1	174.9	172.9	163.4	0	0	0	110.8	F78 M81 L359 L456 W457 Y458 L470 I491 V492	F78-L468 HydrophobicContact CD1-CD1 3.57Å; F78-L468 HydrophobicContact CD2-CD1 4.4Å; F78-L468 HydrophobicContact CE1-CD1 3.55Å; F78-L468 HydrophobicContact CE2-CB 4.2Å; F78-L468 HydrophobicContact CE2-CD1 4.38Å; F78-L468 HydrophobicContact CG-CD1 4.02Å; F78-L468 HydrophobicContact CZ-CB 4.12Å; F78-L468 HydrophobicContact CZ-CD1 3.97Å; M81-L468 HydrophobicContact CE-CD1 3.8Å; L359-L468 HydrophobicContact CD1-CD1 4.35Å; L359-L468 HydrophobicContact CD1-CD2 4.39Å; L359-L468 HydrophobicContact CD2-CD1 3.7Å; L456-L468 HydrophobicContact CD1-CD2 3.63Å; W457-L468 WeakPolarHBondContact CA-O 3.41Å; Y458-L468 PolarHBondContact N-O 2.96Å; Y458-L468 PolarHBondContact O-N 2.81Å; L468-L470 HydrophobicContact CD2-CD2 4.46Å; L468-L470 HydrophobicContact CD2-CG 4.44Å; L468-I491 CarbonylContact C-O 3.58Å; L468-I491 WeakPolarHBondContact CA-O 3.32Å; L468-V492 HydrophobicContact CB-CG2 4.16Å; L468-V492 HydrophobicContact CD1-CG2 3.74Å; L468-V492 HydrophobicContact CG-CG2 4.02Å
469	T	98.6	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.7	165.2	-171.2	0	0	0	0	112.1	R246 L456 A490 I491 L502	R246-T469 PolarHBondContact NH2-OG1 2.69Å; L456-T469 CarbonylContact O-C 3.58Å; L456-T469 WeakPolarHBondContact O-CA 3.43Å; L456-T469 WeakPolarHBondContact O-CB 3.04Å; L456-T469 PolarHBondContact O-OG1 3.11Å; T469-A490 CarbonylContact O-C 3.48Å; T469-A490 WeakPolarHBondContact O-CA 3.41Å; T469-I491 HydrophobicContact CG2-CB 3.94Å; T469-I491 HydrophobicContact CG2-CD1 4.18Å; T469-I491 HydrophobicContact CG2-CG1 4.29Å; T469-I491 PolarHBondContact N-O 2.98Å; T469-I491 PolarHBondContact O-N 2.68Å; T469-L502 HydrophobicContact CG2-CD1 4.13Å; T469-L502 HydrophobicContact CG2-CD2 3.62Å
470	L	98.5	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133	160.9	-57.9	-178.5	0	0	0	108.7	R246 L341 L359 G455 L456 L468 F476 I489 A490	R246-L470 PolarHBondContact NH1-O 3.38Å; L341-L470 HydrophobicContact CD1-CD2 4.06Å; L359-L470 HydrophobicContact CD1-CD1 4.04Å; L359-L470 HydrophobicContact CD1-CD2 3.99Å; L359-L470 HydrophobicContact CD1-CG 4.29Å; G455-L470 WeakPolarHBondContact CA-O 3.04Å; L456-L470 HydrophobicContact CD1-CB 4.49Å; L456-L470 HydrophobicContact CD1-CD1 4.41Å; L456-L470 HydrophobicContact CD1-CG 3.99Å; L456-L470 HydrophobicContact CD2-CD1 3.53Å; L456-L470 HydrophobicContact CD2-CG 4.02Å; L456-L470 HydrophobicContact CG-CB 3.95Å; L456-L470 HydrophobicContact CG-CD1 3.81Å; L456-L470 HydrophobicContact CG-CG 3.73Å; L456-L470 PolarHBondContact N-O 3.41Å; L456-L470 PolarHBondContact O-N 3.32Å; L468-L470 HydrophobicContact CD2-CD2 4.46Å; L468-L470 HydrophobicContact CD2-CG 4.44Å; L470-F476 HydrophobicContact CD1-CE1 4.36Å; L470-I489 WeakPolarHBondContact CA-O 3.38Å; L470-A490 HydrophobicContact CD2-CB 3.38Å
471	I	98.1	Very high	93.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.3	173.6	-175.6	174.5	0	0	0	111.7	I230 R246 V248 Q488 I489 I491	I230-I471 HydrophobicContact CG2-CG2 4.46Å; I230-I471 WeakPolarHBondContact CG2-O 3.15Å; R246-I471 HydrophobicContact CB-CD1 3.72Å; R246-I471 HydrophobicContact CB-CG1 4.26Å; V248-I471 HydrophobicContact CB-CD1 3.92Å; V248-I471 HydrophobicContact CB-CG2 4.38Å; V248-I471 HydrophobicContact CG2-CD1 3.36Å; V248-I471 HydrophobicContact CG2-CG2 4.12Å; I471-Q488 CarbonylContact O-C 3.55Å; I471-Q488 WeakPolarHBondContact O-CA 3.48Å; I471-Q488 VanDerWaalsContact O-CB 3.28Å; I471-Q488 WeakPolarHBondContact O-CB 3.3Å; I471-I489 HydrophobicContact CG2-CD1 3.96Å; I471-I489 HydrophobicContact CG2-CG1 3.53Å; I471-I489 PolarHBondContact N-O 2.85Å; I471-I489 PolarHBondContact O-N 2.92Å; I471-I491 HydrophobicContact CG2-CD1 4.49Å
472	G	96.9	Very high	93.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-150.1	173.1	0	0	0	0	0	112.3	S231	S231-G472 CarbonylContact O-C 3.54Å
473	S	95.3	Very high	94.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-83.4	-26	-173.7	67.9	0	0	0	0	118	H218 K454 E486 A487	H218-S473 PolarHBondContact CE1-O 2.89Å; H218-S473 PolarHBondContact ND1-O 3.18Å; H218-S473 WeakPolarHBondContact O-CB 3.5Å; H218-S473 PolarHBondContact O-OG 2.83Å; K454-S473 VanDerWaalsContact CD-O 3.26Å; K454-S473 WeakPolarHBondContact CD-O 3.48Å; K454-S473 PolarHBondContact NZ-O 2.89Å; S473-E486 WeakPolarHBondContact CB-OE2 3.08Å; S473-E486 PolarHBondContact OG-OE2 3.44Å; S473-A487 PolarHBondContact N-O 3.1Å; S473-A487 VanDerWaalsContact N-O 3.08Å; S473-A487 PolarHBondContact OG-N 2.78Å; S473-A487 VanDerWaalsContact OG-N 3.17Å; S473-A487 PolarHBondContact OG-O 3.31Å; S473-A487 VanDerWaalsContact OG-O 3.12Å
474	P	94.2	Very high	94.4	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.019	10%	0.102	C	C	.	.			trans	-61.2	134.7	-178.5	-22.7	30.8	0	0	0	114.6	K454 F476 E486 Q488	K454-P474 WeakPolarHBondContact CB-O 3.44Å; K454-P474 WeakPolarHBondContact CD-O 3.22Å; P474-F476 VanDerWaalsContact C-N 3.33Å; P474-E486 HydrophobicContact CG-CB 3.79Å; P474-E486 HydrophobicContact CG-CG 4.33Å; P474-Q488 HydrophobicContact CG-CB 4.19Å; P474-Q488 HydrophobicContact CG-CG 4.14Å
475	N	90.3	Very high	94.7	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.032	6%	0.064	C	C	.	.			trans	-90	8.3	171.9	-81.3	-34.1	0	0	0	113.6	S373 Y375 K454 G477 S480	S373-N475 PolarHBondContact OG-O 2.9Å; Y375-N475 PolarHBondContact OH-ND2 2.9Å; Y375-N475 VanDerWaalsContact OH-ND2 3.08Å; K454-N475 WeakPolarHBondContact CD-OD1 3.36Å; K454-N475 WeakPolarHBondContact CE-OD1 3.33Å; K454-N475 VanDerWaalsContact CG-OD1 3.26Å; K454-N475 WeakPolarHBondContact CG-OD1 3.38Å; K454-N475 PolarHBondContact NZ-ND2 2.69Å; K454-N475 VanDerWaalsContact NZ-ND2 3.15Å; K454-N475 PolarHBondContact NZ-OD1 2.91Å; N475-G477 PolarHBondContact O-N 2.86Å; N475-S480 PolarHBondContact N-OG 2.96Å
476	F	93.5	Very high	94.7	Very high	3 Å²	3	10.9 Å²	10.9	1%	0.013	5%	0.047	C	C	.	.	S	Bend	trans	55.7	10.5	-170.4	-54.1	-85.2	0	0	0	115	T356 L378 T379 Y382 L470 P474	T356-F476 HydrophobicContact CG2-CD1 3.98Å; T356-F476 HydrophobicContact CG2-CE1 3.85Å; L378-F476 HydrophobicContact CD2-CB 3.48Å; L378-F476 VanDerWaalsContact CD2-CB 3.48Å; L378-F476 HydrophobicContact CD2-CG 4.36Å; T379-F476 WeakPolarHBondContact CG2-O 3.27Å; T379-F476 PolarHBondContact N-O 3.02Å; T379-F476 VanDerWaalsContact N-O 3.07Å; Y382-F476 HydrophobicContact CD2-CB 3.92Å; Y382-F476 HydrophobicContact CD2-CD1 4.44Å; Y382-F476 VanDerWaalsContact CD2-O 3.26Å; Y382-F476 WeakPolarHBondContact CD2-O 3.07Å; Y382-F476 HydrophobicContact CE2-CB 3.98Å; Y382-F476 HydrophobicContact CE2-CD1 4.11Å; Y382-F476 WeakPolarHBondContact CE2-O 3.19Å; L470-F476 HydrophobicContact CD1-CE1 4.36Å; P474-F476 VanDerWaalsContact C-N 3.33Å
477	G	92.9	Very high	94.8	Very high	3 Å²	3	11.1 Å²	11.1	3%	0.031	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-93.6	174.9	-179.7	0	0	0	0	0	113.7	N377 N475 R479 S480 V481	N377-G477 WeakPolarHBondContact O-CA 3.34Å; N475-G477 PolarHBondContact O-N 2.86Å; G477-R479 PolarHBondContact O-N 2.83Å; G477-S480 PolarHBondContact O-N 2.83Å; G477-V481 WeakPolarHBondContact O-CG2 3.44Å; G477-V481 PolarHBondContact O-N 3.41Å; G477-V481 VanDerWaalsContact O-N 3.1Å
478	Y	91.5	Very high	94.8	Very high	74 Å²	74	11.1 Å²	11.1	29%	0.29	5%	0.049	S	C	.	.	H	α-helix	trans	-56.7	-40.9	-175.8	-175	-88.4	0	0	0	111.8	V481 H482 N541	Y478-V481 PolarHBondContact O-N 3.06Å; Y478-H482 HydrophobicContact CD1-CB 4.16Å; Y478-H482 AromaticContact CD2-CD2 3.52Å; Y478-H482 AromaticContact CD2-NE2 3.85Å; Y478-H482 HydrophobicContact CE1-CB 3.8Å; Y478-H482 HydrophobicContact CE2-CB 4.37Å; Y478-H482 AromaticContact CE2-CD2 3.56Å; Y478-H482 AromaticContact CE2-CG 3.8Å; Y478-H482 AromaticContact CE2-NE2 3.73Å; Y478-H482 AromaticContact CG-CD2 3.94Å; Y478-H482 AromaticContact CZ-CG 3.79Å; Y478-H482 VanDerWaalsContact O-CB 3.23Å; Y478-H482 WeakPolarHBondContact O-CB 3.27Å; Y478-H482 PolarHBondContact O-CD2 3.46Å; Y478-H482 VanDerWaalsContact O-CD2 3.26Å; Y478-H482 PolarHBondContact O-N 2.88Å; Y478-N541 HydrophobicContact CD1-CB 3.91Å; Y478-N541 WeakPolarHBondContact CD1-O 3.41Å; Y478-N541 HydrophobicContact CE1-CB 4.17Å; Y478-N541 HydrophobicContact CG-CB 4.33Å
479	R	90.3	Very high	94.9	Very high	31 Å²	31	11.1 Å²	11.1	12%	0.117	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-55.4	179.5	-91.1	-161.9	58.9	158.6	11.9	114	E212 G477 V481 H482 R483 D484 F542	E212-R479 PolarHBondContact O-NH1 3.32Å; E212-R479 PolarHBondContact O-NH2 3.43Å; G477-R479 PolarHBondContact O-N 2.83Å; R479-V481 PolarHBondContact O-N 3.47Å; R479-H482 PolarHBondContact O-N 3.32Å; R479-R483 PolarHBondContact O-N 3.06Å; R479-D484 WeakPolarHBondContact CB-OD2 3.43Å; R479-D484 IonicContact CZ-OD1 2.9Å; R479-D484 IonicContact CZ-OD2 3.33Å; R479-D484 IonicContact NE-OD1 2.89Å; R479-D484 IonicContact NE-OD2 2.79Å; R479-D484 PolarHBondContact NE-OD2 3.12Å; R479-D484 IonicContact NH2-OD1 2.77Å; R479-D484 PolarHBondContact NH2-OD1 2.94Å; R479-D484 IonicContact NH2-OD2 2.91Å; R479-D484 PolarHBondContact NH2-OD2 3.49Å; R479-D484 PolarHBondContact O-N 2.93Å; R479-D484 VanDerWaalsContact O-N 3.08Å; R479-F542 WeakPolarHBondContact CD-O 3.3Å; R479-F542 PolarHBondContact NH1-O 2.87Å
480	S	91.4	Very high	94.9	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-56.6	-39.9	177.3	-62.9	0	0	0	0	111.7	Q343 N475 G477 E486	Q343-S480 VanDerWaalsContact CG-O 3.31Å; Q343-S480 WeakPolarHBondContact CG-O 3.47Å; N475-S480 PolarHBondContact N-OG 2.96Å; G477-S480 PolarHBondContact O-N 2.83Å; S480-E486 VanDerWaalsContact CA-OE1 3.32Å; S480-E486 WeakPolarHBondContact CA-OE1 3.49Å; S480-E486 WeakPolarHBondContact CB-OE1 3.37Å; S480-E486 PolarHBondContact OG-OE1 2.58Å
481	V	92.9	Very high	94.9	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-76.2	-36	-179.5	176.3	0	0	0	0	112.5	Q343 K345 E353 T379 Y382 G477 Y478 R479	Q343-V481 PolarHBondContact NE2-O 3.44Å; K345-V481 VanDerWaalsContact CB-O 3.3Å; K345-V481 WeakPolarHBondContact CB-O 3.48Å; K345-V481 WeakPolarHBondContact CD-O 3.23Å; E353-V481 HydrophobicContact CB-CG1 4.26Å; E353-V481 VanDerWaalsContact CD-CG1 3.4Å; E353-V481 HydrophobicContact CG-CG1 3.78Å; T379-V481 HydrophobicContact CG2-CB 4.14Å; T379-V481 HydrophobicContact CG2-CG2 3.76Å; Y382-V481 HydrophobicContact CE2-CG2 3.88Å; G477-V481 WeakPolarHBondContact O-CG2 3.44Å; G477-V481 PolarHBondContact O-N 3.41Å; G477-V481 VanDerWaalsContact O-N 3.1Å; Y478-V481 PolarHBondContact O-N 3.06Å; R479-V481 PolarHBondContact O-N 3.47Å
482	H	93.1	Very high	94.8	Very high	53 Å²	53	11.2 Å²	11.2	25%	0.245	5%	0.049	C	C	.	.	H	α-helix	trans	-113.7	-17.4	-165.6	-66.6	-99.1	0	0	0	116.5	K345 Y478 R479	K345-H482 HydrophobicContact CD-CB 4.04Å; K345-H482 VanDerWaalsContact CD-ND1 3.34Å; K345-H482 WeakPolarHBondContact CD-ND1 3.32Å; K345-H482 WeakPolarHBondContact CE-ND1 3.49Å; K345-H482 PolarHBondContact NZ-CE1 3.46Å; K345-H482 PolarHBondContact NZ-ND1 2.9Å; Y478-H482 HydrophobicContact CD1-CB 4.16Å; Y478-H482 AromaticContact CD2-CD2 3.52Å; Y478-H482 AromaticContact CD2-NE2 3.85Å; Y478-H482 HydrophobicContact CE1-CB 3.8Å; Y478-H482 HydrophobicContact CE2-CB 4.37Å; Y478-H482 AromaticContact CE2-CD2 3.56Å; Y478-H482 AromaticContact CE2-CG 3.8Å; Y478-H482 AromaticContact CE2-NE2 3.73Å; Y478-H482 AromaticContact CG-CD2 3.94Å; Y478-H482 AromaticContact CZ-CG 3.79Å; Y478-H482 VanDerWaalsContact O-CB 3.23Å; Y478-H482 WeakPolarHBondContact O-CB 3.27Å; Y478-H482 PolarHBondContact O-CD2 3.46Å; Y478-H482 VanDerWaalsContact O-CD2 3.26Å; Y478-H482 PolarHBondContact O-N 2.88Å; R479-H482 PolarHBondContact O-N 3.32Å
483	R	92.3	Very high	94.8	Very high	43 Å²	43	11.1 Å²	11.1	16%	0.162	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-36.7	-165.4	-69.1	-177.7	173	-175.2	5.1	114.6	T213 I214 G215 P346 R479 N541	T213-R483 PolarHBondContact O-NH1 3.49Å; I214-R483 WeakPolarHBondContact O-CB 3.33Å; I214-R483 WeakPolarHBondContact O-CD 3.2Å; G215-R483 WeakPolarHBondContact CA-O 3.45Å; P346-R483 WeakPolarHBondContact CG-O 3.29Å; R479-R483 PolarHBondContact O-N 3.06Å; R483-N541 PolarHBondContact NH1-O 3.03Å; R483-N541 VanDerWaalsContact NH1-O 3.17Å
484	D	94.6	Very high	94.7	Very high	5 Å²	5	15 Å²	15	3%	0.027	7%	0.067	C	C	.	.	S	Bend	trans	-90.8	160.6	-173.5	-59.6	-34.8	0	0	0	111.1	G215 V216 H218 R479 E486	G215-D484 WeakPolarHBondContact CA-OD1 3.32Å; V216-D484 HydrophobicContact CG2-CB 4.44Å; V216-D484 WeakPolarHBondContact CG2-OD1 3.42Å; V216-D484 PolarHBondContact N-OD1 3.09Å; V216-D484 WeakPolarHBondContact O-CA 3.45Å; H218-D484 HydrophobicContact CB-CB 4.2Å; R479-D484 WeakPolarHBondContact CB-OD2 3.43Å; R479-D484 IonicContact CZ-OD1 2.9Å; R479-D484 IonicContact CZ-OD2 3.33Å; R479-D484 IonicContact NE-OD1 2.89Å; R479-D484 IonicContact NE-OD2 2.79Å; R479-D484 PolarHBondContact NE-OD2 3.12Å; R479-D484 IonicContact NH2-OD1 2.77Å; R479-D484 PolarHBondContact NH2-OD1 2.94Å; R479-D484 IonicContact NH2-OD2 2.91Å; R479-D484 PolarHBondContact NH2-OD2 3.49Å; R479-D484 PolarHBondContact O-N 2.93Å; R479-D484 VanDerWaalsContact O-N 3.08Å; D484-E486 HydrophobicContact CB-CG 4.16Å
485	L	97.3	Very high	94.8	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-93.9	108.4	168.2	-80.3	56.8	0	0	0	107	Y193 V216 H218 I219 V267 M344	Y193-L485 HydrophobicContact CD1-CD2 4.18Å; Y193-L485 HydrophobicContact CD2-CD2 3.87Å; Y193-L485 HydrophobicContact CE1-CD1 3.78Å; Y193-L485 HydrophobicContact CE1-CD2 3.83Å; Y193-L485 HydrophobicContact CE1-CG 4.4Å; Y193-L485 HydrophobicContact CE2-CD1 4.42Å; Y193-L485 HydrophobicContact CE2-CD2 3.54Å; Y193-L485 HydrophobicContact CG-CD2 4.17Å; Y193-L485 VanDerWaalsContact CZ-CD2 3.49Å; Y193-L485 VanDerWaalsContact OH-CD1 3.23Å; Y193-L485 WeakPolarHBondContact OH-CD1 3.21Å; V216-L485 PolarHBondContact O-N 3.33Å; H218-L485 CarbonylContact C-O 3.58Å; H218-L485 VanDerWaalsContact C-O 3.31Å; H218-L485 VanDerWaalsContact CA-O 3.29Å; H218-L485 WeakPolarHBondContact CA-O 3.41Å; H218-L485 WeakPolarHBondContact CB-O 3.15Å; H218-L485 PolarHBondContact N-O 2.62Å; I219-L485 PolarHBondContact N-O 2.91Å; V267-L485 HydrophobicContact CG1-CD2 4.12Å; M344-L485 HydrophobicContact CB-CG 4.26Å; M344-L485 HydrophobicContact CE-CB 4.36Å; M344-L485 HydrophobicContact CE-CD2 4.46Å; M344-L485 HydrophobicContact CE-CG 4.31Å; M344-L485 HydrophobicContact CG-CB 4.2Å; M344-L485 HydrophobicContact CG-CG 3.85Å; M344-L485 HydrophobicContact SD-CD2 4.31Å; M344-L485 HydrophobicContact SD-CG 4Å
486	E	97.8	Very high	95	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.2	-176	-50.9	-87.4	-162.8	0	0	110.7	H218 Q343 S473 P474 S480 D484	H218-E486 WeakPolarHBondContact CB-OE2 3.4Å; H218-E486 IonicContact CE1-OE1 3.81Å; H218-E486 IonicContact CE1-OE2 2.7Å; H218-E486 IonicContact CG-OE1 3.28Å; H218-E486 IonicContact CG-OE2 3.17Å; H218-E486 IonicContact ND1-OE1 3.24Å; H218-E486 PolarHBondContact ND1-OE1 3.26Å; H218-E486 IonicContact ND1-OE2 3.6Å; H218-E486 PolarHBondContact ND1-OE2 3.11Å; Q343-E486 HydrophobicContact CB-CB 4.06Å; Q343-E486 PolarHBondContact N-O 2.87Å; Q343-E486 PolarHBondContact O-N 2.74Å; S473-E486 WeakPolarHBondContact CB-OE2 3.08Å; S473-E486 PolarHBondContact OG-OE2 3.44Å; P474-E486 HydrophobicContact CG-CB 3.79Å; P474-E486 HydrophobicContact CG-CG 4.33Å; S480-E486 VanDerWaalsContact CA-OE1 3.32Å; S480-E486 WeakPolarHBondContact CA-OE1 3.49Å; S480-E486 WeakPolarHBondContact CB-OE1 3.37Å; S480-E486 PolarHBondContact OG-OE1 2.58Å; D484-E486 HydrophobicContact CB-CG 4.16Å
487	A	97.8	Very high	95.2	Very high	5 Å²	5	25 Å²	25	4%	0.041	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.6	167.5	0	0	0	0	0	110.1	I219 F260 L263 L341 S473	I219-A487 HydrophobicContact CB-CB 4.46Å; I219-A487 HydrophobicContact CD1-CB 4.41Å; I219-A487 HydrophobicContact CG1-CB 3.96Å; I219-A487 HydrophobicContact CG2-CB 3.97Å; F260-A487 HydrophobicContact CE1-CB 4.14Å; L263-A487 HydrophobicContact CD2-CB 4.26Å; L341-A487 WeakPolarHBondContact O-CA 3.45Å; S473-A487 PolarHBondContact N-O 3.1Å; S473-A487 VanDerWaalsContact N-O 3.08Å; S473-A487 PolarHBondContact OG-N 2.78Å; S473-A487 VanDerWaalsContact OG-N 3.17Å; S473-A487 PolarHBondContact OG-O 3.31Å; S473-A487 VanDerWaalsContact OG-O 3.12Å
488	Q	97.2	Very high	95.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	171.4	173.3	68.4	170.6	13.7	0	0	110.2	L341 D352 I471 P474	L341-Q488 WeakPolarHBondContact CA-O 3.29Å; L341-Q488 HydrophobicContact CB-CG 3.74Å; L341-Q488 HydrophobicContact CD1-CG 3.92Å; L341-Q488 HydrophobicContact CG-CG 4.33Å; L341-Q488 PolarHBondContact N-O 3.49Å; L341-Q488 PolarHBondContact O-N 2.52Å; D352-Q488 VanDerWaalsContact OD1-CD 3.28Å; D352-Q488 PolarHBondContact OD1-NE2 3.05Å; I471-Q488 CarbonylContact O-C 3.55Å; I471-Q488 WeakPolarHBondContact O-CA 3.48Å; I471-Q488 VanDerWaalsContact O-CB 3.28Å; I471-Q488 WeakPolarHBondContact O-CB 3.3Å; P474-Q488 HydrophobicContact CG-CB 4.19Å; P474-Q488 HydrophobicContact CG-CG 4.14Å
489	I	98.4	Very high	95.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.3	170.3	58.7	176.4	0	0	0	109.9	I230 L250 F260 V338 F339 L470 I471 I491	I230-I489 HydrophobicContact CB-CD1 4.24Å; I230-I489 HydrophobicContact CG1-CD1 3.94Å; I230-I489 HydrophobicContact CG1-CG1 4.42Å; I230-I489 HydrophobicContact CG1-CG2 4.38Å; I230-I489 HydrophobicContact CG2-CG1 4.24Å; L250-I489 HydrophobicContact CD1-CD1 3.93Å; F260-I489 HydrophobicContact CE2-CG2 3.57Å; F260-I489 HydrophobicContact CZ-CG2 3.47Å; F260-I489 VanDerWaalsContact CZ-CG2 3.47Å; V338-I489 HydrophobicContact CG1-CB 4.16Å; V338-I489 HydrophobicContact CG1-CD1 4.31Å; V338-I489 HydrophobicContact CG1-CG2 4.11Å; F339-I489 CarbonylContact O-C 3.51Å; F339-I489 WeakPolarHBondContact O-CA 3.48Å; L470-I489 WeakPolarHBondContact CA-O 3.38Å; I471-I489 HydrophobicContact CG2-CD1 3.96Å; I471-I489 HydrophobicContact CG2-CG1 3.53Å; I471-I489 PolarHBondContact N-O 2.85Å; I471-I489 PolarHBondContact O-N 2.92Å; I489-I491 HydrophobicContact CD1-CD1 3.69Å; I489-I491 HydrophobicContact CD1-CG1 3.76Å; I489-I491 HydrophobicContact CG1-CD1 4.37Å; I489-I491 HydrophobicContact CG1-CG1 4.1Å
490	A	98.4	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.3	156.6	0	0	0	0	0	108.5	M81 V338 F339 L341 T469 L470	M81-A490 HydrophobicContact CE-CB 4.41Å; M81-A490 HydrophobicContact SD-CB 4.06Å; V338-A490 WeakPolarHBondContact CA-O 3.47Å; F339-A490 HydrophobicContact CB-CB 4.12Å; F339-A490 HydrophobicContact CD2-CB 4.2Å; F339-A490 PolarHBondContact N-O 3.4Å; F339-A490 PolarHBondContact O-N 2.97Å; L341-A490 HydrophobicContact CD1-CB 4.3Å; T469-A490 CarbonylContact O-C 3.48Å; T469-A490 WeakPolarHBondContact O-CA 3.41Å; L470-A490 HydrophobicContact CD2-CB 3.38Å
491	I	98.3	Very high	96.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.2	173.7	-53.6	176.8	0	0	0	106.9	I95 V248 T336 W337 L468 T469 I471 I489 L498	I95-I491 HydrophobicContact CD1-CG2 4.04Å; I95-I491 HydrophobicContact CG2-CD1 4.34Å; V248-I491 HydrophobicContact CG1-CD1 3.96Å; T336-I491 HydrophobicContact CG2-CG2 3.59Å; W337-I491 CarbonylContact O-C 3.56Å; W337-I491 WeakPolarHBondContact O-CA 3.48Å; L468-I491 CarbonylContact C-O 3.58Å; L468-I491 WeakPolarHBondContact CA-O 3.32Å; T469-I491 HydrophobicContact CG2-CB 3.94Å; T469-I491 HydrophobicContact CG2-CD1 4.18Å; T469-I491 HydrophobicContact CG2-CG1 4.29Å; T469-I491 PolarHBondContact N-O 2.98Å; T469-I491 PolarHBondContact O-N 2.68Å; I471-I491 HydrophobicContact CG2-CD1 4.49Å; I489-I491 HydrophobicContact CD1-CD1 3.69Å; I489-I491 HydrophobicContact CD1-CG1 3.76Å; I489-I491 HydrophobicContact CG1-CD1 4.37Å; I489-I491 HydrophobicContact CG1-CG1 4.1Å; I491-L498 HydrophobicContact CG2-CD2 4.27Å
492	V	97.4	Very high	96.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.7	173.2	179.4	0	0	0	0	107.6	F78 M81 T336 W337 F339 C467 L468	F78-V492 HydrophobicContact CB-CG1 4.3Å; F78-V492 HydrophobicContact CB-CG2 3.96Å; F78-V492 HydrophobicContact CD2-CG1 3.7Å; F78-V492 HydrophobicContact CD2-CG2 4.13Å; F78-V492 HydrophobicContact CE2-CG1 4.49Å; F78-V492 HydrophobicContact CG-CG1 4.34Å; F78-V492 HydrophobicContact CG-CG2 4.08Å; M81-V492 HydrophobicContact CE-CG2 3.74Å; T336-V492 CarbonylContact C-O 3.17Å; T336-V492 WeakPolarHBondContact CA-O 3.47Å; W337-V492 HydrophobicContact CB-CB 4.36Å; W337-V492 PolarHBondContact N-O 3.27Å; W337-V492 PolarHBondContact O-N 3.23Å; F339-V492 HydrophobicContact CD2-CG2 4.37Å; F339-V492 HydrophobicContact CE2-CB 4.22Å; F339-V492 HydrophobicContact CE2-CG2 3.78Å; C467-V492 WeakPolarHBondContact O-CA 3.33Å; L468-V492 HydrophobicContact CB-CG2 4.16Å; L468-V492 HydrophobicContact CD1-CG2 3.74Å; L468-V492 HydrophobicContact CG-CG2 4.02Å
493	T	95.7	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.1	-170.1	-172.9	0	0	0	0	112.9	T336 C467 N495 L498 Q499 L502	T336-T493 WeakPolarHBondContact OG1-CB 3.4Å; T336-T493 PolarHBondContact OG1-OG1 2.87Å; C467-T493 PolarHBondContact O-N 3.12Å; T493-N495 WeakPolarHBondContact OG1-CB 3.27Å; T493-N495 PolarHBondContact OG1-N 2.91Å; T493-L498 HydrophobicContact CG2-CB 4.32Å; T493-L498 HydrophobicContact CG2-CD2 3.9Å; T493-L498 HydrophobicContact CG2-CG 4.01Å; T493-Q499 HydrophobicContact CG2-CG 3.75Å; T493-Q499 PolarHBondContact O-NE2 3.08Å; T493-L502 HydrophobicContact CG2-CD1 4.21Å
494	E	93.8	Very high	97.4	Very high	81 Å²	81	27.4 Å²	27.4	38%	0.379	15%	0.145	S	C	.	.			trans	-95.9	-4.4	166.4	-70.4	173.3	179.7	0	0	111.3	L74 C75 D335 E496	L74-E494 HydrophobicContact CB-CG 3.63Å; L74-E494 VanDerWaalsContact CB-OE1 3.31Å; L74-E494 WeakPolarHBondContact CB-OE1 3.48Å; L74-E494 HydrophobicContact CD1-CG 3.87Å; L74-E494 HydrophobicContact CG-CG 4.38Å; L74-E494 PolarHBondContact N-OE1 2.99Å; C75-E494 PolarHBondContact N-OE1 2.89Å; C75-E494 VanDerWaalsContact N-OE1 3.11Å; C75-E494 VanDerWaalsContact SG-CD 3.59Å; C75-E494 PolarHBondContact SG-OE1 3.26Å; D335-E494 HydrophobicContact CB-CB 4.49Å; D335-E494 PolarHBondContact O-N 3.27Å; E494-E496 PolarHBondContact O-N 2.78Å
495	N	95.3	Very high	97.6	Very high	25 Å²	25	27.5 Å²	27.5	13%	0.134	15%	0.145	C	C	.	.			trans	-71.1	110.8	178.9	-169.3	-81.5	0	0	0	111.5	D335 T493 A497 L498 Q499	D335-N495 WeakPolarHBondContact OD2-CB 3.38Å; D335-N495 PolarHBondContact OD2-ND2 3.45Å; T493-N495 WeakPolarHBondContact OG1-CB 3.27Å; T493-N495 PolarHBondContact OG1-N 2.91Å; N495-A497 VanDerWaalsContact C-N 3.26Å; N495-A497 PolarHBondContact O-N 2.77Å; N495-A497 WeakPolarHBondContact OD1-CB 3.37Å; N495-A497 PolarHBondContact OD1-N 3.19Å; N495-A497 VanDerWaalsContact OD1-N 3.1Å; N495-L498 HydrophobicContact CB-CB 3.97Å; N495-L498 PolarHBondContact O-N 3.12Å; N495-L498 PolarHBondContact OD1-N 2.79Å; N495-Q499 WeakPolarHBondContact O-CG 3.41Å; N495-Q499 PolarHBondContact O-N 2.95Å
496	E	95.9	Very high	97.6	Very high	138 Å²	138	27.9 Å²	27.9	65%	0.645	15%	0.147	S	C	*	.	H	α-helix	trans	-61.6	-32.1	-176.8	-63.8	-169.1	171	0	0	113.8	R465 E494 S500	R465-E496 PolarHBondContact NH1-O 3.44Å; E494-E496 PolarHBondContact O-N 2.78Å; E496-S500 WeakPolarHBondContact O-CB 3.45Å; E496-S500 PolarHBondContact O-N 3.05Å; E496-S500 PolarHBondContact O-OG 3.17Å
497	A	97.5	Very high	97.6	Very high	60 Å²	60	31.7 Å²	31.7	50%	0.496	17%	0.165	S	C	.	.	H	α-helix	trans	-70.7	-42.3	178.8	0	0	0	0	0	110.9	N495 S500 Q501	N495-A497 VanDerWaalsContact C-N 3.26Å; N495-A497 PolarHBondContact O-N 2.77Å; N495-A497 WeakPolarHBondContact OD1-CB 3.37Å; N495-A497 PolarHBondContact OD1-N 3.19Å; N495-A497 VanDerWaalsContact OD1-N 3.1Å; A497-S500 WeakPolarHBondContact O-CB 3.44Å; A497-S500 PolarHBondContact O-N 3.39Å; A497-Q501 WeakPolarHBondContact O-CG 3.3Å; A497-Q501 PolarHBondContact O-N 2.93Å
498	L	98.2	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-43	174.2	-177.6	56.2	0	0	0	111.6	I95 I97 T336 I491 T493 N495 S500 Q501 L502	I95-L498 HydrophobicContact CB-CD1 3.93Å; I95-L498 HydrophobicContact CB-CD2 3.86Å; I95-L498 HydrophobicContact CD1-CD2 3.82Å; I95-L498 HydrophobicContact CG1-CD2 4.35Å; I95-L498 HydrophobicContact CG2-CD1 3.68Å; I95-L498 HydrophobicContact CG2-CD2 4.07Å; I97-L498 HydrophobicContact CD1-CD1 4.05Å; I97-L498 HydrophobicContact CG1-CD1 4.32Å; T336-L498 HydrophobicContact CG2-CD2 4.09Å; I491-L498 HydrophobicContact CG2-CD2 4.27Å; T493-L498 HydrophobicContact CG2-CB 4.32Å; T493-L498 HydrophobicContact CG2-CD2 3.9Å; T493-L498 HydrophobicContact CG2-CG 4.01Å; N495-L498 HydrophobicContact CB-CB 3.97Å; N495-L498 PolarHBondContact O-N 3.12Å; N495-L498 PolarHBondContact OD1-N 2.79Å; L498-S500 PolarHBondContact O-N 3.41Å; L498-Q501 PolarHBondContact O-N 2.81Å; L498-L502 HydrophobicContact CD1-CG 4.44Å; L498-L502 HydrophobicContact CG-CD1 4.34Å; L498-L502 WeakPolarHBondContact O-CG 3.46Å; L498-L502 PolarHBondContact O-N 2.96Å
499	Q	98.1	Very high	97.6	Very high	21 Å²	21	33.3 Å²	33.3	10%	0.098	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-38.1	173.1	-69.9	-175.5	-13.6	0	0	111.7	R465 P466 T493 N495 L502 Q503	R465-Q499 HydrophobicContact CB-CB 3.99Å; P466-Q499 WeakPolarHBondContact O-CG 3.35Å; T493-Q499 HydrophobicContact CG2-CG 3.75Å; T493-Q499 PolarHBondContact O-NE2 3.08Å; N495-Q499 WeakPolarHBondContact O-CG 3.41Å; N495-Q499 PolarHBondContact O-N 2.95Å; Q499-L502 PolarHBondContact O-N 2.92Å; Q499-Q503 WeakPolarHBondContact O-CB 3.44Å; Q499-Q503 PolarHBondContact O-N 3.09Å
500	S	98.5	Very high	97.5	Very high	40 Å²	40	34.3 Å²	34.3	28%	0.28	18%	0.178	S	C	.	.	H	α-helix	trans	-66	-44.2	175.5	-58.2	0	0	0	0	112.4	R465 E496 A497 L498 L502 Q503 E504	R465-S500 PolarHBondContact NE-OG 3.02Å; R465-S500 PolarHBondContact NH1-OG 3.25Å; R465-S500 PolarHBondContact NH2-OG 3.21Å; E496-S500 WeakPolarHBondContact O-CB 3.45Å; E496-S500 PolarHBondContact O-N 3.05Å; E496-S500 PolarHBondContact O-OG 3.17Å; A497-S500 WeakPolarHBondContact O-CB 3.44Å; A497-S500 PolarHBondContact O-N 3.39Å; L498-S500 PolarHBondContact O-N 3.41Å; S500-L502 VanDerWaalsContact C-N 3.32Å; S500-L502 PolarHBondContact O-N 3.31Å; S500-Q503 WeakPolarHBondContact O-CB 3.39Å; S500-Q503 PolarHBondContact O-N 2.88Å; S500-E504 PolarHBondContact O-N 3.06Å
501	Q	98.7	Very high	97.5	Very high	57 Å²	57	42.5 Å²	42.5	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-62.2	-40.8	175.7	-68.9	178	60.8	0	0	111.6	I97 A497 L498 E504 E505	I97-Q501 HydrophobicContact CB-CB 4.18Å; I97-Q501 HydrophobicContact CG1-CB 3.58Å; A497-Q501 WeakPolarHBondContact O-CG 3.3Å; A497-Q501 PolarHBondContact O-N 2.93Å; L498-Q501 PolarHBondContact O-N 2.81Å; Q501-E504 PolarHBondContact O-N 2.84Å; Q501-E505 PolarHBondContact O-N 3.48Å
502	L	98.7	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-40.8	176.2	-71.1	173.4	0	0	0	112	I97 W457 P466 T469 T493 L498 Q499 S500 E505 Q506	I97-L502 HydrophobicContact CD1-CD2 3.55Å; I97-L502 HydrophobicContact CD1-CG 4.25Å; I97-L502 HydrophobicContact CG1-CD2 4.14Å; W457-L502 PolarHBondContact NE1-O 3.44Å; P466-L502 HydrophobicContact CG-CB 3.58Å; T469-L502 HydrophobicContact CG2-CD1 4.13Å; T469-L502 HydrophobicContact CG2-CD2 3.62Å; T493-L502 HydrophobicContact CG2-CD1 4.21Å; L498-L502 HydrophobicContact CD1-CG 4.44Å; L498-L502 HydrophobicContact CG-CD1 4.34Å; L498-L502 WeakPolarHBondContact O-CG 3.46Å; L498-L502 PolarHBondContact O-N 2.96Å; Q499-L502 PolarHBondContact O-N 2.92Å; S500-L502 VanDerWaalsContact C-N 3.32Å; S500-L502 PolarHBondContact O-N 3.31Å; L502-E505 PolarHBondContact O-N 2.9Å; L502-Q506 WeakPolarHBondContact O-CB 3.24Å; L502-Q506 PolarHBondContact O-N 3.15Å
503	Q	98.6	Very high	97.4	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-47.1	173.2	-178.6	62.2	23.6	0	0	110.9	Y459 R465 Q499 S500 E505 Q506 E507	Y459-Q503 VanDerWaalsContact CZ-OE1 3.28Å; Y459-Q503 PolarHBondContact OH-OE1 3.22Å; R465-Q503 HydrophobicContact CG-CB 4.41Å; Q499-Q503 WeakPolarHBondContact O-CB 3.44Å; Q499-Q503 PolarHBondContact O-N 3.09Å; S500-Q503 WeakPolarHBondContact O-CB 3.39Å; S500-Q503 PolarHBondContact O-N 2.88Å; Q503-E505 PolarHBondContact O-N 3.44Å; Q503-Q506 PolarHBondContact O-N 2.85Å; Q503-E507 HydrophobicContact CG-CG 4.43Å; Q503-E507 PolarHBondContact NE2-OE1 2.85Å; Q503-E507 WeakPolarHBondContact O-CB 3.26Å; Q503-E507 WeakPolarHBondContact O-CG 3.33Å; Q503-E507 PolarHBondContact O-N 3.47Å
504	E	98.6	Very high	97.5	Very high	109 Å²	109	51.9 Å²	51.9	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-41.7	179.5	-171.7	-177.4	178.1	0	0	112.2	M99 S500 Q501 T508	M99-E504 HydrophobicContact CE-CG 3.88Å; S500-E504 PolarHBondContact O-N 3.06Å; Q501-E504 PolarHBondContact O-N 2.84Å; E504-T508 WeakPolarHBondContact O-CB 3.35Å; E504-T508 PolarHBondContact O-N 3.27Å; E504-T508 PolarHBondContact O-OG1 3Å
505	E	98.5	Very high	97.7	Very high	7 Å²	7	53 Å²	53	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-53.1	174	-172.2	-164.9	-157.7	0	0	110.8	I97 M99 R246 W457 Q501 L502 Q503 T508 L509	I97-E505 HydrophobicContact CG2-CB 3.82Å; I97-E505 HydrophobicContact CG2-CG 3.8Å; M99-E505 HydrophobicContact SD-CB 4.02Å; M99-E505 HydrophobicContact SD-CG 4.36Å; R246-E505 WeakPolarHBondContact CB-OE1 3.4Å; R246-E505 VanDerWaalsContact CG-OE1 3.24Å; R246-E505 WeakPolarHBondContact CG-OE1 3.42Å; R246-E505 IonicContact CZ-OE1 2.91Å; R246-E505 IonicContact CZ-OE2 3.62Å; R246-E505 VanDerWaalsContact NE-CD 3.3Å; R246-E505 IonicContact NE-OE1 3.67Å; R246-E505 PolarHBondContact NE-OE1 2.82Å; R246-E505 IonicContact NE-OE2 3.91Å; R246-E505 PolarHBondContact NE-OE2 3.41Å; R246-E505 VanDerWaalsContact NE-OE2 3.14Å; R246-E505 IonicContact NH2-OE1 3.75Å; R246-E505 IonicContact NH2-OE2 3.7Å; R246-E505 PolarHBondContact NH2-OE2 3.23Å; W457-E505 HydrophobicContact CZ2-CG 4.11Å; W457-E505 WeakPolarHBondContact CZ2-OE2 3.47Å; W457-E505 PolarHBondContact NE1-OE2 3.28Å; Q501-E505 PolarHBondContact O-N 3.48Å; L502-E505 PolarHBondContact O-N 2.9Å; Q503-E505 PolarHBondContact O-N 3.44Å; E505-T508 PolarHBondContact O-N 2.98Å; E505-L509 HydrophobicContact CG-CD1 4.46Å; E505-L509 WeakPolarHBondContact O-CG 3.5Å; E505-L509 PolarHBondContact O-N 3.1Å; E505-L509 VanDerWaalsContact O-N 3.16Å
506	Q	98.1	Very high	97.7	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-53.8	179.5	-177.5	-79.1	-46.2	0	0	110.7	F370 W457 L502 Q503 T508 L509 Y510	F370-Q506 HydrophobicContact CB-CG 4.07Å; F370-Q506 HydrophobicContact CD1-CG 4.21Å; F370-Q506 VanDerWaalsContact CE1-NE2 3.25Å; F370-Q506 HydrophobicContact CG-CG 4.03Å; W457-Q506 HydrophobicContact CB-CG 4.49Å; W457-Q506 HydrophobicContact CD2-CB 3.83Å; W457-Q506 HydrophobicContact CD2-CG 3.9Å; W457-Q506 HydrophobicContact CE3-CB 4.31Å; W457-Q506 HydrophobicContact CE3-CG 3.96Å; W457-Q506 HydrophobicContact CG-CB 4.02Å; W457-Q506 HydrophobicContact CG-CG 4.16Å; W457-Q506 HydrophobicContact CZ2-CB 4.3Å; W457-Q506 HydrophobicContact CZ3-CG 4.49Å; L502-Q506 WeakPolarHBondContact O-CB 3.24Å; L502-Q506 PolarHBondContact O-N 3.15Å; Q503-Q506 PolarHBondContact O-N 2.85Å; Q506-T508 VanDerWaalsContact C-N 3.32Å; Q506-T508 PolarHBondContact O-N 3.01Å; Q506-L509 PolarHBondContact O-N 2.91Å; Q506-Y510 HydrophobicContact CG-CD2 4.24Å; Q506-Y510 HydrophobicContact CG-CE2 4.37Å; Q506-Y510 VanDerWaalsContact NE2-CG 3.35Å; Q506-Y510 VanDerWaalsContact O-CD2 3.32Å; Q506-Y510 WeakPolarHBondContact O-CD2 3.45Å; Q506-Y510 PolarHBondContact O-N 2.91Å
507	E	98.1	Very high	97.7	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.379	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-41.2	-179	-74.3	-177.5	-176.1	0	0	112.2	Q503 L509 Y510 R511	Q503-E507 HydrophobicContact CG-CG 4.43Å; Q503-E507 PolarHBondContact NE2-OE1 2.85Å; Q503-E507 WeakPolarHBondContact O-CB 3.26Å; Q503-E507 WeakPolarHBondContact O-CG 3.33Å; Q503-E507 PolarHBondContact O-N 3.47Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 3.14Å; E507-Y510 PolarHBondContact O-N 3.37Å; E507-R511 WeakPolarHBondContact O-CB 3.44Å; E507-R511 PolarHBondContact O-N 3.07Å; E507-R511 IonicContact OE2-NH2 2.8Å
508	T	97.4	Very high	97.5	Very high	34 Å²	34	49 Å²	49	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-38.8	179.8	-66.9	0	0	0	0	111.8	M99 E504 E505 Q506	M99-T508 HydrophobicContact CE-CG2 4.16Å; M99-T508 WeakPolarHBondContact CE-OG1 3.34Å; E504-T508 WeakPolarHBondContact O-CB 3.35Å; E504-T508 PolarHBondContact O-N 3.27Å; E504-T508 PolarHBondContact O-OG1 3Å; E505-T508 PolarHBondContact O-N 2.98Å; Q506-T508 VanDerWaalsContact C-N 3.32Å; Q506-T508 PolarHBondContact O-N 3.01Å
509	L	97.4	Very high	97.3	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-70.4	-45.7	176.2	-65.5	174.5	0	0	0	111.6	Q244 R246 L396 Y444 F451 A453 W457 E505 Q506 E507 R512	Q244-L509 HydrophobicContact CG-CD2 3.5Å; R246-L509 HydrophobicContact CG-CD1 4.24Å; L396-L509 HydrophobicContact CD2-CB 3.92Å; Y444-L509 WeakPolarHBondContact CD2-O 3.4Å; Y444-L509 HydrophobicContact CE2-CD2 4.42Å; F451-L509 HydrophobicContact CE2-CD2 4.24Å; A453-L509 HydrophobicContact CB-CD1 4.4Å; W457-L509 HydrophobicContact CH2-CD1 3.56Å; W457-L509 HydrophobicContact CZ2-CD1 3.9Å; E505-L509 HydrophobicContact CG-CD1 4.46Å; E505-L509 WeakPolarHBondContact O-CG 3.5Å; E505-L509 PolarHBondContact O-N 3.1Å; E505-L509 VanDerWaalsContact O-N 3.16Å; Q506-L509 PolarHBondContact O-N 2.91Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 3.14Å; L509-R512 PolarHBondContact O-N 2.8Å
510	Y	97.4	Very high	97.1	Very high	21 Å²	21	51.8 Å²	51.8	8%	0.082	26%	0.26	C	S	.	.	H	α-helix	trans	-75.2	-27.4	-177.3	-81.7	-104.1	0	0	0	113.6	F370 L371 H394 L396 H442 W457 Q506 E507 R512 S513	F370-Y510 HydrophobicContact CB-CE2 4.22Å; F370-Y510 HydrophobicContact CD1-CD1 4.03Å; F370-Y510 HydrophobicContact CD1-CD2 4.19Å; F370-Y510 AromaticContact CD1-CE1 3.6Å; F370-Y510 HydrophobicContact CD1-CE1 3.6Å; F370-Y510 AromaticContact CD1-CE2 3.78Å; F370-Y510 HydrophobicContact CD1-CE2 3.78Å; F370-Y510 HydrophobicContact CD1-CG 4.3Å; F370-Y510 AromaticContact CD1-CZ 3.46Å; F370-Y510 VanDerWaalsContact CD1-CZ 3.46Å; F370-Y510 HydrophobicContact CE1-CD1 4.16Å; F370-Y510 HydrophobicContact CE1-CE1 4.07Å; F370-Y510 HydrophobicContact CG-CE2 4.47Å; L371-Y510 PolarHBondContact N-OH 3.5Å; L371-Y510 PolarHBondContact O-OH 3.34Å; L371-Y510 VanDerWaalsContact O-OH 3.13Å; H394-Y510 HydrophobicContact CB-CE1 3.9Å; H394-Y510 PolarHBondContact O-OH 3.3Å; L396-Y510 HydrophobicContact CB-CD1 4.47Å; L396-Y510 HydrophobicContact CB-CE1 3.76Å; L396-Y510 HydrophobicContact CB-CE2 3.83Å; L396-Y510 WeakPolarHBondContact CB-OH 3.35Å; L396-Y510 HydrophobicContact CD2-CD2 3.87Å; L396-Y510 HydrophobicContact CD2-CE2 3.82Å; L396-Y510 HydrophobicContact CD2-CG 4.33Å; L396-Y510 HydrophobicContact CG-CE2 4.45Å; L396-Y510 PolarHBondContact N-OH 3.23Å; H442-Y510 HydrophobicContact CB-CE1 4.45Å; H442-Y510 AromaticContact CD2-CE1 3.99Å; W457-Y510 HydrophobicContact CZ3-CE2 4.21Å; Q506-Y510 HydrophobicContact CG-CD2 4.24Å; Q506-Y510 HydrophobicContact CG-CE2 4.37Å; Q506-Y510 VanDerWaalsContact NE2-CG 3.35Å; Q506-Y510 VanDerWaalsContact O-CD2 3.32Å; Q506-Y510 WeakPolarHBondContact O-CD2 3.45Å; Q506-Y510 PolarHBondContact O-N 2.91Å; E507-Y510 PolarHBondContact O-N 3.37Å; Y510-R512 PolarHBondContact O-N 3.07Å; Y510-R512 VanDerWaalsContact O-N 3.16Å; Y510-S513 VanDerWaalsContact O-CB 3.3Å; Y510-S513 WeakPolarHBondContact O-CB 3.04Å; Y510-S513 PolarHBondContact O-N 3.24Å; Y510-S513 PolarHBondContact O-OG 3.45Å
511	R	97.6	Very high	96.8	Very high	173 Å²	173	50.4 Å²	50.4	65%	0.653	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	174.6	-169.9	-177.1	-57	143.9	5.5	112.7	E507 S513	E507-R511 WeakPolarHBondContact O-CB 3.44Å; E507-R511 PolarHBondContact O-N 3.07Å; E507-R511 IonicContact OE2-NH2 2.8Å; R511-S513 VanDerWaalsContact C-N 3.32Å
512	R	96.8	Very high	96.5	Very high	105 Å²	105	55 Å²	55	40%	0.396	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	20.4	175.8	-65.8	179.8	-176.8	-111	4.7	112.5	Y444 H445 R446 L509 Y510	Y444-R512 HydrophobicContact CD2-CB 3.98Å; Y444-R512 HydrophobicContact CE2-CB 3.55Å; Y444-R512 HydrophobicContact CE2-CG 4.35Å; Y444-R512 VanDerWaalsContact OH-CD 3.29Å; Y444-R512 WeakPolarHBondContact OH-CD 3.45Å; H445-R512 PolarHBondContact N-O 3.05Å; R446-R512 VanDerWaalsContact NE-NH1 3.14Å; L509-R512 PolarHBondContact O-N 2.8Å; Y510-R512 PolarHBondContact O-N 3.07Å; Y510-R512 VanDerWaalsContact O-N 3.16Å
513	S	97.3	Very high	96.2	Very high	21 Å²	21	58.8 Å²	58.8	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.7	-177.4	80.5	0	0	0	0	112.9	E443 Y510 R511	E443-S513 CarbonylContact O-C 3.55Å; E443-S513 WeakPolarHBondContact O-CA 3.48Å; E443-S513 WeakPolarHBondContact O-CB 3.44Å; Y510-S513 VanDerWaalsContact O-CB 3.3Å; Y510-S513 WeakPolarHBondContact O-CB 3.04Å; Y510-S513 PolarHBondContact O-N 3.24Å; Y510-S513 PolarHBondContact O-OG 3.45Å; R511-S513 VanDerWaalsContact C-N 3.32Å
514	T	97.1	Very high	95.6	Very high	72 Å²	72	63.1 Å²	63.1	44%	0.442	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	168.9	61.1	0	0	0	0	109.7	H442 E443 H445	H442-T514 CarbonylContact C-O 3.52Å; H442-T514 VanDerWaalsContact CA-O 3.29Å; H442-T514 WeakPolarHBondContact CA-O 3.22Å; E443-T514 PolarHBondContact N-O 2.75Å; E443-T514 PolarHBondContact O-N 3.08Å; H445-T514 PolarHBondContact NE2-OG1 3.02Å
515	E	97.5	Very high	94.9	Very high	106 Å²	106	61.8 Å²	61.8	50%	0.495	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	136.8	175.8	-168.1	174.6	174.2	0	0	110.7	H440 L441	H440-E515 IonicContact CE1-OE1 3.41Å; H440-E515 IonicContact CG-OE1 3.7Å; H440-E515 IonicContact ND1-OE1 4Å; H440-E515 PolarHBondContact ND1-OE1 3.04Å; L441-E515 CarbonylContact O-C 3.44Å; L441-E515 WeakPolarHBondContact O-CA 3.47Å
516	V	96.3	Very high	94.5	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	32%	0.315	C	S	.	.			trans	-80.2	129.6	179.4	174.9	0	0	0	0	109.3	Y427 L441 E443 T520 F521	Y427-V516 HydrophobicContact CD2-CG1 4.4Å; Y427-V516 WeakPolarHBondContact CE2-O 3.38Å; L441-V516 HydrophobicContact CB-CB 3.87Å; L441-V516 HydrophobicContact CB-CG2 4.08Å; L441-V516 WeakPolarHBondContact O-CB 3.44Å; L441-V516 PolarHBondContact O-N 2.84Å; E443-V516 HydrophobicContact CG-CG2 3.75Å; V516-T520 HydrophobicContact CG1-CG2 4.37Å; V516-F521 HydrophobicContact CG1-CD2 4.18Å; V516-F521 HydrophobicContact CG1-CE1 4.38Å; V516-F521 HydrophobicContact CG1-CE2 3.32Å; V516-F521 HydrophobicContact CG1-CZ 3.45Å; V516-F521 VanDerWaalsContact CG1-CZ 3.45Å
517	S	95.1	Very high	94	Very high	41 Å²	41	69.6 Å²	69.6	29%	0.287	35%	0.345	S	S	.	.			trans	-129.6	176.4	173.7	62.9	0	0	0	0	111.2	Y427 S519 T520	Y427-S517 WeakPolarHBondContact OH-CA 3.37Å; S517-S519 PolarHBondContact O-N 3Å; S517-S519 PolarHBondContact OG-N 2.94Å; S517-S519 PolarHBondContact OG-OG 3.46Å; S517-T520 PolarHBondContact N-OG1 3.04Å; S517-T520 VanDerWaalsContact O-CB 3.25Å; S517-T520 WeakPolarHBondContact O-CB 3.34Å; S517-T520 PolarHBondContact O-N 3.47Å; S517-T520 PolarHBondContact O-OG1 3.02Å
518	D	92.9	Very high	93.6	Very high	87 Å²	87	66.2 Å²	66.2	47%	0.465	33%	0.33	S	S	.	.	H	α-helix	trans	-51.8	-37.3	169.4	-84.3	-37.1	0	0	0	112.5	Y427 T520 F521 Q522	Y427-D518 WeakPolarHBondContact CE1-OD1 3.39Å; Y427-D518 PolarHBondContact OH-N 2.64Å; D518-T520 VanDerWaalsContact C-N 3.31Å; D518-T520 PolarHBondContact O-N 3.19Å; D518-F521 PolarHBondContact O-N 2.85Å; D518-Q522 WeakPolarHBondContact O-CG 3.42Å; D518-Q522 PolarHBondContact O-N 3.34Å
519	S	94.1	Very high	93.2	Very high	70 Å²	70	70.4 Å²	70.4	49%	0.49	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-33.9	178.6	75.3	0	0	0	0	112.4	S517 F521 Q522	S517-S519 PolarHBondContact O-N 3Å; S517-S519 PolarHBondContact OG-N 2.94Å; S517-S519 PolarHBondContact OG-OG 3.46Å; S519-F521 PolarHBondContact O-N 3.44Å; S519-Q522 PolarHBondContact O-N 2.93Å
520	T	94.3	Very high	92.8	Very high	10 Å²	10	76 Å²	76	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-57.9	-48.8	175.8	-50.9	0	0	0	0	110.2	V516 S517 D518 Q522 Q523 R526	V516-T520 HydrophobicContact CG1-CG2 4.37Å; S517-T520 PolarHBondContact N-OG1 3.04Å; S517-T520 VanDerWaalsContact O-CB 3.25Å; S517-T520 WeakPolarHBondContact O-CB 3.34Å; S517-T520 PolarHBondContact O-N 3.47Å; S517-T520 PolarHBondContact O-OG1 3.02Å; D518-T520 VanDerWaalsContact C-N 3.31Å; D518-T520 PolarHBondContact O-N 3.19Å; T520-Q522 PolarHBondContact O-N 3.15Å; T520-Q523 WeakPolarHBondContact O-CB 3.42Å; T520-Q523 WeakPolarHBondContact O-CG 3.43Å; T520-Q523 PolarHBondContact O-N 2.96Å; T520-R526 VanDerWaalsContact O-CG 3.26Å; T520-R526 WeakPolarHBondContact O-CG 3.27Å
521	F	93.5	Very high	92.4	Very high	11 Å²	11	80.7 Å²	80.7	5%	0.048	39%	0.393	C	S	.	.	H	α-helix	trans	-73	-9.3	-178.4	-63.8	-65	0	0	0	114.9	I420 A423 R424 Y427 V516 D518 S519	I420-F521 HydrophobicContact CG2-CD1 4.42Å; A423-F521 HydrophobicContact CB-CE1 4.37Å; A423-F521 HydrophobicContact CB-CZ 4.38Å; R424-F521 HydrophobicContact CB-CD1 3.74Å; R424-F521 HydrophobicContact CB-CE1 3.62Å; R424-F521 HydrophobicContact CB-CE2 4.49Å; R424-F521 HydrophobicContact CB-CG 4.23Å; R424-F521 HydrophobicContact CB-CZ 4.02Å; R424-F521 HydrophobicContact CG-CB 4.43Å; R424-F521 HydrophobicContact CG-CD1 3.96Å; R424-F521 HydrophobicContact CG-CD2 4.24Å; R424-F521 HydrophobicContact CG-CE1 4.25Å; R424-F521 HydrophobicContact CG-CG 3.95Å; Y427-F521 HydrophobicContact CD1-CD2 4.11Å; Y427-F521 AromaticContact CD1-CE2 3.69Å; Y427-F521 HydrophobicContact CD1-CE2 3.69Å; Y427-F521 HydrophobicContact CD2-CE2 4.36Å; Y427-F521 HydrophobicContact CE1-CE2 4.42Å; Y427-F521 AromaticContact CG-CE2 3.65Å; Y427-F521 HydrophobicContact CG-CE2 3.65Å; Y427-F521 HydrophobicContact CG-CZ 4.46Å; V516-F521 HydrophobicContact CG1-CD2 4.18Å; V516-F521 HydrophobicContact CG1-CE1 4.38Å; V516-F521 HydrophobicContact CG1-CE2 3.32Å; V516-F521 HydrophobicContact CG1-CZ 3.45Å; V516-F521 VanDerWaalsContact CG1-CZ 3.45Å; D518-F521 PolarHBondContact O-N 2.85Å; S519-F521 PolarHBondContact O-N 3.44Å
522	Q	91.4	Very high	91.9	Very high	153 Å²	153	72.7 Å²	72.7	72%	0.715	36%	0.363	S	S	*	.	H	α-helix	trans	-88.2	-12.3	174.9	-67.5	174.2	13.1	0	0	112.7	D518 S519 T520	D518-Q522 WeakPolarHBondContact O-CG 3.42Å; D518-Q522 PolarHBondContact O-N 3.34Å; S519-Q522 PolarHBondContact O-N 2.93Å; T520-Q522 PolarHBondContact O-N 3.15Å
523	Q	91.8	Very high	91.5	Very high	79 Å²	79	71.6 Å²	71.6	37%	0.369	36%	0.361	S	S	.	.	S	Bend	trans	-63.1	144.6	180	-63.7	177.6	8.1	0	0	111.9	T520 N525 R526	T520-Q523 WeakPolarHBondContact O-CB 3.42Å; T520-Q523 WeakPolarHBondContact O-CG 3.43Å; T520-Q523 PolarHBondContact O-N 2.96Å; Q523-N525 VanDerWaalsContact C-N 3.28Å; Q523-N525 VanDerWaalsContact CB-OD1 3.29Å; Q523-N525 WeakPolarHBondContact CB-OD1 3.39Å; Q523-N525 PolarHBondContact O-N 3.06Å; Q523-N525 PolarHBondContact OE1-OD1 3.4Å; Q523-R526 HydrophobicContact CB-CG 4.14Å; Q523-R526 WeakPolarHBondContact O-CB 3.38Å; Q523-R526 PolarHBondContact O-N 3.21Å
524	P	87.1	Confident	91.1	Very high	123 Å²	123	76.8 Å²	76.8	80%	0.799	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-58.1	-36.7	-177	-26.6	34.6	0	0	0	114.1	R526 Y527	P524-R526 PolarHBondContact O-N 3.08Å; P524-Y527 WeakPolarHBondContact O-CB 3.48Å; P524-Y527 PolarHBondContact O-N 3.22Å
525	N	84.3	Confident	90.5	Very high	80 Å²	80	75.5 Å²	75.5	43%	0.428	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-73.6	-4.2	177.5	63.7	-4.6	0	0	0	113.5	E401 Q523	E401-N525 PolarHBondContact OE1-ND2 2.86Å; Q523-N525 VanDerWaalsContact C-N 3.28Å; Q523-N525 VanDerWaalsContact CB-OD1 3.29Å; Q523-N525 WeakPolarHBondContact CB-OD1 3.39Å; Q523-N525 PolarHBondContact O-N 3.06Å; Q523-N525 PolarHBondContact OE1-OD1 3.4Å
526	R	88.4	Confident	90	Very high	6 Å²	6	70.8 Å²	70.8	2%	0.023	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-102.2	4.7	174	-59.6	-61.2	-174.6	-85.4	-1	113.1	P400 I420 E443 T520 Q523 P524 V528	P400-R526 VanDerWaalsContact CD-NH2 3.26Å; P400-R526 VanDerWaalsContact CG-CZ 3.47Å; I420-R526 HydrophobicContact CG2-CB 4.2Å; E443-R526 IonicContact OE1-NE 3.05Å; E443-R526 PolarHBondContact OE1-NE 3.4Å; E443-R526 IonicContact OE1-NH2 3.07Å; E443-R526 IonicContact OE2-CZ 2.76Å; E443-R526 IonicContact OE2-NE 3.91Å; E443-R526 IonicContact OE2-NH2 3.64Å; E443-R526 PolarHBondContact OE2-NH2 2.84Å; T520-R526 VanDerWaalsContact O-CG 3.26Å; T520-R526 WeakPolarHBondContact O-CG 3.27Å; Q523-R526 HydrophobicContact CB-CG 4.14Å; Q523-R526 WeakPolarHBondContact O-CB 3.38Å; Q523-R526 PolarHBondContact O-N 3.21Å; P524-R526 PolarHBondContact O-N 3.08Å; R526-V528 PolarHBondContact O-N 3.42Å
527	Y	87.8	Confident	89.4	Confident	173 Å²	173	74.1 Å²	74.1	68%	0.678	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-67.2	120	176.1	179.1	-102.6	0	0	0	112.1	P524 K529	P524-Y527 WeakPolarHBondContact O-CB 3.48Å; P524-Y527 PolarHBondContact O-N 3.22Å; Y527-K529 HydrophobicContact CD1-CG 4.42Å; Y527-K529 HydrophobicContact CE1-CG 4Å
528	V	89.5	Confident	88.8	Confident	11 Å²	11	77.6 Å²	77.6	7%	0.067	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-101.8	116.4	177.3	-173.5	0	0	0	0	110.3	A417 I420 H421 R526 V532 K533	A417-V528 HydrophobicContact CB-CG1 4.45Å; A417-V528 WeakPolarHBondContact O-CG2 3.13Å; I420-V528 HydrophobicContact CB-CG2 4.15Å; I420-V528 HydrophobicContact CG2-CG2 3.88Å; H421-V528 HydrophobicContact CB-CG1 4.17Å; H421-V528 HydrophobicContact CB-CG2 4.26Å; R526-V528 PolarHBondContact O-N 3.42Å; V528-V532 HydrophobicContact CG1-CB 3.85Å; V528-V532 HydrophobicContact CG1-CG1 3.83Å; V528-K533 HydrophobicContact CB-CG 4.45Å; V528-K533 HydrophobicContact CG1-CG 3.76Å; V528-K533 VanDerWaalsContact O-CE 3.32Å; V528-K533 WeakPolarHBondContact O-CE 3.38Å
529	K	88.8	Confident	88.2	Confident	121 Å²	121	73.8 Å²	73.8	53%	0.526	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-60.7	145.9	176.1	-63.2	177.3	-179.5	178.5	0	111.2	Y527 W531 V532 K533	Y527-K529 HydrophobicContact CD1-CG 4.42Å; Y527-K529 HydrophobicContact CE1-CG 4Å; K529-W531 VanDerWaalsContact C-N 3.33Å; K529-W531 PolarHBondContact O-N 2.94Å; K529-V532 HydrophobicContact CB-CG2 4.13Å; K529-V532 WeakPolarHBondContact O-CB 3.48Å; K529-V532 PolarHBondContact O-N 3.4Å; K529-K533 PolarHBondContact O-N 3.37Å
530	L	89.6	Confident	87.6	Confident	122 Å²	122	71.7 Å²	71.7	64%	0.639	36%	0.355	S	S	*	.	H	α-helix	trans	-56.1	-43.8	-176.7	-177.8	62.4	0	0	0	113.2	V532 K533 L534	L530-V532 PolarHBondContact O-N 3.15Å; L530-K533 WeakPolarHBondContact O-CB 3.35Å; L530-K533 PolarHBondContact O-N 3.24Å; L530-K533 VanDerWaalsContact O-N 3.1Å; L530-L534 PolarHBondContact O-N 3.43Å; L530-L534 VanDerWaalsContact O-N 3.08Å
531	W	88.3	Confident	87	Confident	121 Å²	121	73.8 Å²	73.8	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-33.7	178.4	75.4	-97.8	0	0	0	112.3	A414 K529 L534 V535	A414-W531 HydrophobicContact CB-CH2 3.4Å; A414-W531 HydrophobicContact CB-CZ2 4.09Å; A414-W531 HydrophobicContact CB-CZ3 3.99Å; K529-W531 VanDerWaalsContact C-N 3.33Å; K529-W531 PolarHBondContact O-N 2.94Å; W531-L534 PolarHBondContact O-N 2.98Å; W531-V535 HydrophobicContact CE3-CG1 4.49Å; W531-V535 HydrophobicContact CE3-CG2 3.99Å; W531-V535 HydrophobicContact CZ3-CG2 3.97Å; W531-V535 WeakPolarHBondContact O-CG2 3.42Å; W531-V535 PolarHBondContact O-N 3.45Å; W531-V535 VanDerWaalsContact O-N 3.08Å
532	V	87.1	Confident	86.1	Confident	4 Å²	4	76.2 Å²	76.2	2%	0.024	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-42.7	175.8	179.8	0	0	0	0	110	A414 A417 A418 V528 K529 L530 L534 V535 T536	A414-V532 HydrophobicContact CB-CG1 4.32Å; A414-V532 HydrophobicContact CB-CG2 3.97Å; A417-V532 HydrophobicContact CB-CG1 3.93Å; A418-V532 HydrophobicContact CB-CG1 4.23Å; V528-V532 HydrophobicContact CG1-CB 3.85Å; V528-V532 HydrophobicContact CG1-CG1 3.83Å; K529-V532 HydrophobicContact CB-CG2 4.13Å; K529-V532 WeakPolarHBondContact O-CB 3.48Å; K529-V532 PolarHBondContact O-N 3.4Å; L530-V532 PolarHBondContact O-N 3.15Å; V532-L534 VanDerWaalsContact C-N 3.29Å; V532-L534 PolarHBondContact O-N 3.45Å; V532-V535 WeakPolarHBondContact O-CG2 3.46Å; V532-V535 PolarHBondContact O-N 2.81Å; V532-T536 PolarHBondContact O-N 2.92Å; V532-T536 PolarHBondContact O-OG1 2.91Å
533	K	90.1	Very high	84.6	Confident	82 Å²	82	71 Å²	71	36%	0.357	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-42.1	175	-58.2	-179.3	-178.4	173.9	0	111.3	V528 K529 L530 V535 T536	V528-K533 HydrophobicContact CB-CG 4.45Å; V528-K533 HydrophobicContact CG1-CG 3.76Å; V528-K533 VanDerWaalsContact O-CE 3.32Å; V528-K533 WeakPolarHBondContact O-CE 3.38Å; K529-K533 PolarHBondContact O-N 3.37Å; L530-K533 WeakPolarHBondContact O-CB 3.35Å; L530-K533 PolarHBondContact O-N 3.24Å; L530-K533 VanDerWaalsContact O-N 3.1Å; K533-V535 PolarHBondContact O-N 3.12Å; K533-T536 WeakPolarHBondContact O-CB 3.49Å; K533-T536 PolarHBondContact O-N 2.8Å
534	L	87.5	Confident	84.3	Confident	130 Å²	130	70.7 Å²	70.7	68%	0.681	35%	0.351	S	S	*	.	H	α-helix	trans	-65.4	-36.9	178.4	-66.4	174.6	0	0	0	113	L530 W531 V532 P537	L530-L534 PolarHBondContact O-N 3.43Å; L530-L534 VanDerWaalsContact O-N 3.08Å; W531-L534 PolarHBondContact O-N 2.98Å; V532-L534 VanDerWaalsContact C-N 3.29Å; V532-L534 PolarHBondContact O-N 3.45Å; L534-P537 WeakPolarHBondContact O-CD 3.29Å
535	V	85.3	Confident	84.1	Confident	46 Å²	46	67.9 Å²	67.9	28%	0.279	33%	0.327	S	S	.	.	H	α-helix	trans	-87.8	-8.6	177.6	-57.4	0	0	0	0	113.7	W531 V532 K533 P537 L538 I539	W531-V535 HydrophobicContact CE3-CG1 4.49Å; W531-V535 HydrophobicContact CE3-CG2 3.99Å; W531-V535 HydrophobicContact CZ3-CG2 3.97Å; W531-V535 WeakPolarHBondContact O-CG2 3.42Å; W531-V535 PolarHBondContact O-N 3.45Å; W531-V535 VanDerWaalsContact O-N 3.08Å; V532-V535 WeakPolarHBondContact O-CG2 3.46Å; V532-V535 PolarHBondContact O-N 2.81Å; K533-V535 PolarHBondContact O-N 3.12Å; V535-P537 VanDerWaalsContact C-CD 3.49Å; V535-L538 WeakPolarHBondContact O-CB 3.18Å; V535-L538 PolarHBondContact O-N 3.25Å; V535-I539 HydrophobicContact CG2-CD1 3.82Å; V535-I539 HydrophobicContact CG2-CG1 4.5Å; V535-I539 PolarHBondContact O-N 3.46Å
536	T	86.3	Confident	84.1	Confident	6 Å²	6	67.2 Å²	67.2	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-55.4	-41.6	-178.9	-65.3	0	0	0	0	113	A418 I422 V532 K533 L538 I539 K540	A418-T536 HydrophobicContact CB-CG2 4.23Å; I422-T536 HydrophobicContact CD1-CG2 3.89Å; I422-T536 HydrophobicContact CG1-CG2 3.63Å; V532-T536 PolarHBondContact O-N 2.92Å; V532-T536 PolarHBondContact O-OG1 2.91Å; K533-T536 WeakPolarHBondContact O-CB 3.49Å; K533-T536 PolarHBondContact O-N 2.8Å; T536-L538 PolarHBondContact O-N 2.91Å; T536-I539 PolarHBondContact O-N 3.47Å; T536-I539 VanDerWaalsContact O-N 3.15Å; T536-K540 VanDerWaalsContact O-CB 3.26Å; T536-K540 WeakPolarHBondContact O-CB 3.5Å; T536-K540 PolarHBondContact O-N 2.89Å
537	P	85.3	Confident	83.9	Confident	81 Å²	81	70.8 Å²	70.8	53%	0.526	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-32.4	175.6	-26	35.8	0	0	0	114	L534 V535 N541	L534-P537 WeakPolarHBondContact O-CD 3.29Å; V535-P537 VanDerWaalsContact C-CD 3.49Å; P537-N541 PolarHBondContact O-ND2 3.46Å
538	L	80.8	Confident	83.6	Confident	114 Å²	114	64.4 Å²	64.4	60%	0.597	32%	0.318	S	S	*	.	H	α-helix	trans	-73.2	-49.2	173	-66.6	169.2	0	0	0	110.2	V535 T536 K540 N541 F542	V535-L538 WeakPolarHBondContact O-CB 3.18Å; V535-L538 PolarHBondContact O-N 3.25Å; T536-L538 PolarHBondContact O-N 2.91Å; L538-K540 VanDerWaalsContact C-N 3.27Å; L538-K540 PolarHBondContact O-N 3.3Å; L538-N541 PolarHBondContact O-N 3.03Å; L538-N541 VanDerWaalsContact O-N 3.16Å; L538-F542 WeakPolarHBondContact O-CD2 3.45Å; L538-F542 PolarHBondContact O-N 2.91Å
539	I	80.5	Confident	83.2	Confident	7 Å²	7	68 Å²	68	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-45	179.3	-65.4	171.5	0	0	0	110.7	I415 A418 V535 T536 N541 F542 F543	I415-I539 HydrophobicContact CG1-CG2 4.26Å; I415-I539 HydrophobicContact CG2-CG2 4.5Å; A418-I539 HydrophobicContact CB-CB 4.16Å; A418-I539 HydrophobicContact CB-CD1 3.71Å; A418-I539 HydrophobicContact CB-CG2 3.85Å; V535-I539 HydrophobicContact CG2-CD1 3.82Å; V535-I539 HydrophobicContact CG2-CG1 4.5Å; V535-I539 PolarHBondContact O-N 3.46Å; T536-I539 PolarHBondContact O-N 3.47Å; T536-I539 VanDerWaalsContact O-N 3.15Å; I539-N541 PolarHBondContact O-N 3.2Å; I539-N541 VanDerWaalsContact O-N 3.12Å; I539-F542 PolarHBondContact O-N 3.41Å; I539-F543 HydrophobicContact CG2-CB 4.1Å; I539-F543 HydrophobicContact CG2-CD2 4.11Å; I539-F543 HydrophobicContact CG2-CG 4.45Å; I539-F543 PolarHBondContact O-N 2.89Å
540	K	82.4	Confident	82.8	Confident	26 Å²	26	64.2 Å²	64.2	11%	0.113	32%	0.321	C	S	.	.	H	α-helix	trans	-50.8	-39	179.2	-170.5	175.8	179.7	151.7	0	113.9	N377 M383 I422 T536 L538	N377-K540 PolarHBondContact ND2-O 3.41Å; N377-K540 WeakPolarHBondContact OD1-CG 3.33Å; M383-K540 VanDerWaalsContact CE-NZ 3.32Å; I422-K540 HydrophobicContact CD1-CB 4.21Å; I422-K540 HydrophobicContact CD1-CD 4.47Å; I422-K540 HydrophobicContact CD1-CG 4.15Å; T536-K540 VanDerWaalsContact O-CB 3.26Å; T536-K540 WeakPolarHBondContact O-CB 3.5Å; T536-K540 PolarHBondContact O-N 2.89Å; L538-K540 VanDerWaalsContact C-N 3.27Å; L538-K540 PolarHBondContact O-N 3.3Å
541	N	81.3	Confident	82.3	Confident	54 Å²	54	59.8 Å²	59.8	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-91.1	-12.1	-174.5	-65.4	-17.7	0	0	0	113	Y478 R483 P537 L538 I539	Y478-N541 HydrophobicContact CD1-CB 3.91Å; Y478-N541 WeakPolarHBondContact CD1-O 3.41Å; Y478-N541 HydrophobicContact CE1-CB 4.17Å; Y478-N541 HydrophobicContact CG-CB 4.33Å; R483-N541 PolarHBondContact NH1-O 3.03Å; R483-N541 VanDerWaalsContact NH1-O 3.17Å; P537-N541 PolarHBondContact O-ND2 3.46Å; L538-N541 PolarHBondContact O-N 3.03Å; L538-N541 VanDerWaalsContact O-N 3.16Å; I539-N541 PolarHBondContact O-N 3.2Å; I539-N541 VanDerWaalsContact O-N 3.12Å
542	F	74.4	Confident	81.8	Confident	61 Å²	61	54.7 Å²	54.7	27%	0.268	28%	0.284	S	S	.	.	H	α-helix	trans	-123.9	-6.8	-169.7	-75.5	-98.5	0	0	0	113.8	T213 R479 L538 I539	T213-F542 WeakPolarHBondContact O-CD1 3.34Å; T213-F542 WeakPolarHBondContact OG1-CD1 3.34Å; R479-F542 WeakPolarHBondContact CD-O 3.3Å; R479-F542 PolarHBondContact NH1-O 2.87Å; L538-F542 WeakPolarHBondContact O-CD2 3.45Å; L538-F542 PolarHBondContact O-N 2.91Å; I539-F542 PolarHBondContact O-N 3.41Å
543	F	61.1	Low	81.3	Confident	45 Å²	45	59.3 Å²	59.3	20%	0.197	31%	0.307	C	S	.	.			trans	-135.7	0	179.7	-67.8	-83.5	0	0	0	112.7	T213 Y375 N377 F405 I415 Y419 I539	T213-F543 HydrophobicContact CG2-CE1 3.89Å; T213-F543 HydrophobicContact CG2-CE2 4.02Å; T213-F543 HydrophobicContact CG2-CZ 3.53Å; Y375-F543 VanDerWaalsContact CE2-OXT 3.31Å; Y375-F543 WeakPolarHBondContact CE2-OXT 3.49Å; Y375-F543 VanDerWaalsContact CZ-OXT 3.26Å; Y375-F543 PolarHBondContact OH-OXT 3.38Å; N377-F543 PolarHBondContact ND2-O 3.08Å; F405-F543 HydrophobicContact CZ-CD1 4.44Å; I415-F543 HydrophobicContact CD1-CD1 3.55Å; I415-F543 HydrophobicContact CD1-CD2 4.33Å; I415-F543 HydrophobicContact CD1-CE1 3.71Å; I415-F543 HydrophobicContact CD1-CE2 4.46Å; I415-F543 HydrophobicContact CD1-CG 3.88Å; I415-F543 HydrophobicContact CD1-CZ 4.16Å; I415-F543 HydrophobicContact CG1-CG 4.37Å; Y419-F543 VanDerWaalsContact OH-C 3.23Å; Y419-F543 WeakPolarHBondContact OH-CB 3.27Å; Y419-F543 PolarHBondContact OH-O 2.63Å; Y419-F543 PolarHBondContact OH-OXT 2.74Å; I539-F543 HydrophobicContact CG2-CB 4.1Å; I539-F543 HydrophobicContact CG2-CD2 4.11Å; I539-F543 HydrophobicContact CG2-CG 4.45Å; I539-F543 PolarHBondContact O-N 2.89Å

Retrieved 543 of 543 residues in 1073.1 ms (Link to these results)

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