A0A2K6AJI6_MANLE Loading...

Exonuclease 3'-5' domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A2K6AJI6, Species MANLE (Mandrillus leucophaeus, Drill), Gene EXD2, Length 620 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	31.3	Very low	31.6	Very low	249 Å²	249	150.5 Å²	150.5	100%	1.227	80%	0.803	S	S	*	*				0	160.8	0	-75.7	174.6	167.4	0	0	108.9
2	S	28.2	Very low	31.8	Very low	106 Å²	106	147.9 Å²	147.9	74%	0.741	80%	0.797	S	S	*	*			trans	-73.2	174.9	-172.4	68.8	0	0	0	0	113.1
3	R	26.8	Very low	32.2	Very low	199 Å²	199	145.5 Å²	145.5	75%	0.751	79%	0.79	S	S	*	*			cis	-168.5	155.5	30.3	-143.2	175.7	-179.1	-177.8	-1.9	111.5
4	Q	28.6	Very low	32.3	Very low	136 Å²	136	145.1 Å²	145.1	64%	0.636	79%	0.786	S	S	*	*			trans	37.5	121.4	143.8	-74.8	163.6	-23.4	0	0	121.3
5	N	32.1	Very low	32.4	Very low	145 Å²	145	143 Å²	143	78%	0.775	77%	0.773	S	S	*	*				166.8	100.4	114.6	-86.3	-21.6	0	0	0	111.8
6	F	31.2	Very low	32.7	Very low	215 Å²	215	138 Å²	138	94%	0.943	77%	0.766	S	S	*	*			trans	-170.6	46	158.2	-108.2	-63.3	0	0	0	114.3
7	V	32.8	Very low	33.3	Very low	142 Å²	142	136.9 Å²	136.9	86%	0.861	76%	0.763	S	S	*	*			trans	-131	48.7	178	-164.3	0	0	0	0	111.5
8	A	33.2	Very low	33.7	Very low	92 Å²	92	133.3 Å²	133.3	76%	0.76	75%	0.754	S	S	*	*	S	Bend	trans	-136.4	12.8	-170.3	0	0	0	0	0	116.1
9	L	33.3	Very low	34	Very low	155 Å²	155	132.6 Å²	132.6	81%	0.812	75%	0.747	S	S	*	*	S	Bend	trans	-133.2	10.2	-176	-125.6	94.8	0	0	0	117.1
10	T	34.8	Very low	34.1	Very low	112 Å²	112	128.5 Å²	128.5	69%	0.687	74%	0.735	S	S	*	*	S	Bend	trans	-115.6	6.6	-175.6	33.7	0	0	0	0	115.4
11	V	35.3	Very low	34.4	Very low	105 Å²	105	124.7 Å²	124.7	64%	0.636	72%	0.724	S	S	*	*	S	Bend	trans	-110.2	-17.7	-173.9	179.9	0	0	0	0	113.9	L15	V11-L15 HydrophobicContact CG1-CD1 4.5Å
12	T	34.5	Very low	34.9	Very low	119 Å²	119	120 Å²	120	73%	0.73	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-14.6	-172.1	34	0	0	0	0	116.1
13	T	36.5	Very low	35.6	Very low	117 Å²	117	120.3 Å²	120.3	72%	0.718	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-15.8	177.5	36	0	0	0	0	114.8
14	L	33.7	Very low	36.5	Very low	140 Å²	140	117 Å²	117	73%	0.733	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-15.4	-179.6	-79.3	165.9	0	0	0	114.6
15	L	34.4	Very low	37.1	Very low	113 Å²	113	119.3 Å²	119.3	59%	0.592	69%	0.694	S	S	*	*	S	Bend	trans	-87.9	-17.6	178.5	-93.5	149.9	0	0	0	114.3	V11 V17	V11-L15 HydrophobicContact CG1-CD1 4.5Å; L15-V17 PolarHBondContact O-N 2.93Å
16	G	37.2	Very low	37.2	Very low	63 Å²	63	119 Å²	119	65%	0.649	69%	0.686	S	S	*	*	H	α-helix	trans	-72.9	-23	179.1	0	0	0	0	0	115.1
17	V	41.6	Very low	37.7	Very low	120 Å²	120	111 Å²	111	73%	0.727	66%	0.663	S	S	*	*	H	α-helix	trans	-91.9	-27.2	-175	-177.1	0	0	0	0	112.4	L15	L15-V17 PolarHBondContact O-N 2.93Å
18	A	41.8	Very low	38.4	Very low	71 Å²	71	109.7 Å²	109.7	59%	0.587	65%	0.65	S	S	*	*	H	α-helix	trans	-73.2	-29	-175.5	0	0	0	0	0	114.3
19	I	38.6	Very low	38.6	Very low	121 Å²	121	111.5 Å²	111.5	62%	0.621	64%	0.643	S	S	*	*	H	α-helix	trans	-84.4	-31.4	-174.4	-60.9	177.8	0	0	0	111.9	G21	I19-G21 PolarHBondContact O-N 3.19Å
20	G	36.9	Very low	38.7	Very low	49 Å²	49	114.8 Å²	114.8	51%	0.505	65%	0.645	S	S	.	*	H	α-helix	trans	-66	-33.9	178.5	0	0	0	0	0	114.3
21	G	40.5	Very low	38.8	Very low	50 Å²	50	120.3 Å²	120.3	52%	0.515	65%	0.653	S	S	.	*	H	α-helix	trans	-70.7	-30.6	-178.5	0	0	0	0	0	114.5	I19	I19-G21 PolarHBondContact O-N 3.19Å
22	F	41	Very low	38.8	Very low	149 Å²	149	126.1 Å²	126.1	65%	0.654	66%	0.664	S	S	*	*	H	α-helix	trans	-78.5	-25.5	-171.6	-149.7	-101.6	0	0	0	113.5
23	V	43.5	Very low	38.8	Very low	114 Å²	114	131.8 Å²	131.8	69%	0.691	67%	0.672	S	S	*	*	H	α-helix	trans	-76.2	-38	179.8	-178.2	0	0	0	0	111.5
24	L	44.3	Very low	38.5	Very low	129 Å²	129	131.1 Å²	131.1	68%	0.675	67%	0.671	S	S	*	*	H	α-helix	trans	-65.3	-37.3	176.9	-93	150.1	0	0	0	112.8	K26 G27	L24-K26 PolarHBondContact O-N 3.31Å; L24-G27 PolarHBondContact O-N 2.97Å
25	W	41	Very low	38.4	Very low	184 Å²	184	134 Å²	134	70%	0.697	68%	0.678	S	S	*	*	H	α-helix	trans	-62.4	-42.8	-179.8	-169.1	-75.2	0	0	0	113	G27 I28	W25-G27 VanDerWaalsContact C-N 3.3Å; W25-G27 PolarHBondContact O-N 3.25Å; W25-I28 PolarHBondContact O-N 2.65Å
26	K	35.9	Very low	38.1	Very low	140 Å²	140	135.3 Å²	135.3	61%	0.609	69%	0.691	S	S	*	*	H	α-helix	trans	-70.5	-22.1	179.5	-82.7	-169	174.4	179.8	0	114	L24	L24-K26 PolarHBondContact O-N 3.31Å
27	G	42	Very low	37.7	Very low	46 Å²	46	138 Å²	138	47%	0.474	70%	0.7	S	S	.	*	H	α-helix	trans	-68.5	-37.1	173.7	0	0	0	0	0	113.2	L24 W25	L24-G27 PolarHBondContact O-N 2.97Å; W25-G27 VanDerWaalsContact C-N 3.3Å; W25-G27 PolarHBondContact O-N 3.25Å
28	I	46.2	Very low	37.2	Very low	114 Å²	114	138 Å²	138	59%	0.585	70%	0.702	S	S	*	*	H	α-helix	trans	-76.8	-37.7	-173.2	-63.7	171.1	0	0	0	111.7	W25 R30 R31	W25-I28 PolarHBondContact O-N 2.65Å; I28-R30 VanDerWaalsContact C-N 3.33Å; I28-R30 PolarHBondContact O-N 2.93Å; I28-R31 PolarHBondContact O-N 3.21Å
29	Q	37.1	Very low	36.4	Very low	130 Å²	130	141.3 Å²	141.3	61%	0.607	72%	0.715	S	S	*	*	H	α-helix	trans	-65	-30.4	177.2	-84.4	-174.1	-24.9	0	0	113.8
30	R	36.3	Very low	35.8	Very low	224 Å²	224	141.5 Å²	141.5	85%	0.845	72%	0.722	S	S	*	*	H	α-helix	trans	-74.8	-21.9	-179.6	-80.3	-175.3	171	-179.5	-3.2	114.2	I28	I28-R30 VanDerWaalsContact C-N 3.33Å; I28-R30 PolarHBondContact O-N 2.93Å
31	R	36.3	Very low	35.4	Very low	228 Å²	228	144.9 Å²	144.9	86%	0.86	74%	0.735	S	S	*	*	H	α-helix	trans	-82.4	-13	176.8	-79.2	-173.3	173.3	-177.4	-1.2	114.7	I28	I28-R31 PolarHBondContact O-N 3.21Å
32	R	35.8	Very low	34.9	Very low	228 Å²	228	150.2 Å²	150.2	86%	0.86	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	7.8	179.1	-81.8	-172.7	172.8	179.1	-1.7	115.4
33	R	33.3	Very low	34.3	Very low	238 Å²	238	149.4 Å²	149.4	90%	0.898	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	15.7	-175.7	-91.3	-170.9	175.4	-174.3	-0.8	116
34	S	32.1	Very low	33.5	Very low	102 Å²	102	151.7 Å²	151.7	71%	0.713	76%	0.759	S	S	*	*			trans	-131.8	95.3	175.6	-173.9	0	0	0	0	111.7
35	K	30	Very low	32.7	Very low	202 Å²	202	154 Å²	154	88%	0.878	77%	0.767	S	S	*	*			trans	164.2	83.1	142.7	-91.4	175.9	-179.2	-172.4	0	110.6
36	T	28.3	Very low	32.1	Very low	139 Å²	139	154.1 Å²	154.1	85%	0.853	77%	0.772	S	S	*	*			trans	-145.1	125.4	160.4	41.3	0	0	0	0	108.5
37	S	28.6	Very low	31.8	Very low	121 Å²	121	154 Å²	154	85%	0.846	78%	0.783	S	S	*	*			trans	-168.5	155.5	174.2	-83.9	0	0	0	0	108.2
38	P	30.9	Very low	31	Very low	118 Å²	118	160.1 Å²	160.1	77%	0.766	80%	0.804	S	S	*	*				-113.6	174.9	-120.1	39	-35.1	0	0	0	116.1
39	V	25.6	Very low	30.1	Very low	142 Å²	142	157.7 Å²	157.7	86%	0.861	81%	0.807	S	S	*	*			trans	-110.2	137.7	173.4	177.6	0	0	0	0	110.1
40	T	25.8	Very low	29.6	Very low	125 Å²	125	157.8 Å²	157.8	77%	0.767	82%	0.822	S	S	*	*			trans	-135.1	164.5	172.8	8.8	0	0	0	0	109
41	P	29.7	Very low	29.2	Very low	120 Å²	120	157.2 Å²	157.2	78%	0.779	82%	0.82	S	S	*	*				-106	175.5	-128.8	3.1	20.5	0	0	0	116.2
42	Q	30.3	Very low	28.7	Very low	162 Å²	162	153 Å²	153	76%	0.757	81%	0.81	S	S	*	*			trans	-58.9	170.2	173.5	-62.2	179.5	-20.7	0	0	113.9
43	P	28	Very low	28.2	Very low	132 Å²	132	150 Å²	150	86%	0.857	81%	0.81	S	S	*	*				-134.4	160.3	109	35.3	-24.6	0	0	0	115.7
44	Q	25.5	Very low	28.3	Very low	161 Å²	161	144.1 Å²	144.1	75%	0.752	80%	0.803	S	S	*	*			trans	-92.5	157.2	-178.9	-55.4	164.3	-30.7	0	0	112.4
45	Q	28.2	Very low	28.2	Very low	178 Å²	178	144.9 Å²	144.9	83%	0.832	81%	0.805	S	S	*	*			trans	168.6	154.3	143.9	-98.6	177.1	36	0	0	109.4
46	K	28.4	Very low	28.2	Very low	186 Å²	186	141.2 Å²	141.2	81%	0.809	80%	0.802	S	S	*	*			cis	-160.9	159.7	-19.7	-137.8	176.5	-173.2	177.6	0	106.9
47	V	29.3	Very low	28.8	Very low	139 Å²	139	144 Å²	144	84%	0.842	81%	0.805	S	S	*	*			trans	-96.4	130.7	-173.2	173.5	0	0	0	0	113.6
48	L	25.9	Very low	28.8	Very low	173 Å²	173	145.7 Å²	145.7	91%	0.906	81%	0.805	S	S	*	*			trans	-173.4	144.4	147.9	-133.9	67.7	0	0	0	110.3
49	G	26.7	Very low	28.8	Very low	64 Å²	64	147.6 Å²	147.6	66%	0.66	81%	0.808	S	S	*	*			cis	151.1	73	-18.8	0	0	0	0	0	116.5
50	S	27.5	Very low	29	Very low	131 Å²	131	148.4 Å²	148.4	92%	0.916	80%	0.803	S	S	*	*			trans	-163.5	149.5	170.1	-78.2	0	0	0	0	114.7
51	R	27.3	Very low	29.2	Very low	212 Å²	212	150.7 Å²	150.7	80%	0.8	81%	0.809	S	S	*	*			trans	-66.8	166.9	172.6	-72.6	167.2	112.8	157.5	-3.5	112.6
52	E	25.8	Very low	29.3	Very low	141 Å²	141	152.7 Å²	152.7	66%	0.659	81%	0.808	S	S	*	*			cis	-161.1	175.1	-0.1	-125.8	159.1	-160.1	0	0	110.3
53	L	25.7	Very low	29.5	Very low	164 Å²	164	150.8 Å²	150.8	86%	0.859	81%	0.813	S	S	*	*			trans	106.5	135.6	166.1	-65.9	164	0	0	0	117.6
54	P	35.7	Very low	30	Very low	115 Å²	115	149.7 Å²	149.7	75%	0.747	81%	0.808	S	S	*	*			trans	-99.6	146.6	-166.9	38	-34.7	0	0	0	114.7
55	P	28.6	Very low	30.4	Very low	118 Å²	118	145.7 Å²	145.7	77%	0.766	80%	0.803	S	S	*	*			trans	-94.6	169.5	156.4	36.6	-29.2	0	0	0	111.6
56	P	30.5	Very low	31	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	80%	0.804	S	S	*	*			trans	-90.3	-178.1	-155.5	36.8	-37.8	0	0	0	115.7
57	E	40.7	Very low	31.8	Very low	198 Å²	198	144.6 Å²	144.6	93%	0.925	80%	0.803	S	S	*	*			trans	-41.4	136.5	-177.9	-58.8	172.7	149.4	0	0	115
58	D	28.9	Very low	33.1	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	78%	0.779	S	S	*	*			trans	-130.5	134.8	177.3	-149.4	-1.6	0	0	0	109.3	Q60	D58-Q60 PolarHBondContact O-N 2.78Å
59	D	31.6	Very low	35.2	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	75%	0.753	S	S	*	*			trans	-64.6	113.7	-169.6	-106.9	-39.2	0	0	0	111.6	L61	D59-L61 PolarHBondContact O-N 2.93Å
60	Q	29.8	Very low	37.3	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.743	73%	0.73	S	S	*	*			trans	-74.8	91.6	174.4	-73.8	-165.4	8.7	0	0	111.4	D58 H62	D58-Q60 PolarHBondContact O-N 2.78Å; Q60-H62 PolarHBondContact O-N 3.28Å
61	L	29.1	Very low	39.3	Very low	173 Å²	173	129.6 Å²	129.6	91%	0.906	70%	0.696	S	S	*	*			trans	-59.1	99.4	158.8	-120.2	94.3	0	0	0	109.1	D59 S63	D59-L61 PolarHBondContact O-N 2.93Å; L61-S63 PolarHBondContact O-N 3.18Å
62	H	32.8	Very low	41.5	Very low	163 Å²	163	123.6 Å²	123.6	76%	0.755	68%	0.678	S	S	*	*			trans	-63.8	105.1	174.8	-78.6	-62	0	0	0	110.8	Q60 S64	Q60-H62 PolarHBondContact O-N 3.28Å; H62-S64 PolarHBondContact O-N 2.84Å
63	S	32.9	Very low	44.1	Very low	122 Å²	122	122.1 Å²	122.1	85%	0.853	67%	0.671	S	S	*	*			trans	-61	94.2	167	177.5	0	0	0	0	110.2	L61 A65	L61-S63 PolarHBondContact O-N 3.18Å; S63-A65 PolarHBondContact O-N 3.23Å
64	S	38.8	Very low	46.7	Very low	109 Å²	109	114.6 Å²	114.6	76%	0.762	63%	0.631	S	S	*	*			trans	-81.4	110.7	169.8	56.6	0	0	0	0	109.4	H62	H62-S64 PolarHBondContact O-N 2.84Å
65	A	34.6	Very low	48.7	Very low	77 Å²	77	111.1 Å²	111.1	64%	0.636	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-57.2	141.8	167.2	0	0	0	0	0	109.4	S63 R67	S63-A65 PolarHBondContact O-N 3.23Å; A65-R67 PolarHBondContact O-N 3.19Å
66	P	39.4	Very low	51.4	Low	131 Å²	131	112.5 Å²	112.5	85%	0.851	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.2	116.5	-179.8	24	-32.9	0	0	0	109.7	S68	P66-S68 PolarHBondContact O-N 3Å
67	R	46.1	Very low	54.2	Low	209 Å²	209	107.8 Å²	107.8	79%	0.789	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-62.9	130.2	175.3	-70.2	-179.8	175.1	-177.8	-3	108.6	A65	A65-R67 PolarHBondContact O-N 3.19Å
68	S	56.7	Low	56.7	Low	48 Å²	48	105 Å²	105	34%	0.336	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-56	141	171.1	52.8	0	0	0	0	110.1	P66 E72 Q73	P66-S68 PolarHBondContact O-N 3Å; S68-E72 WeakPolarHBondContact CB-OE2 3.36Å; S68-Q73 PolarHBondContact OG-NE2 2.89Å
69	S	70.9	Confident	60	Low	52 Å²	52	99.9 Å²	99.9	36%	0.364	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-65.4	155.9	173.9	89.5	0	0	0	0	109.9	E71 E72 Q73	S69-E71 WeakPolarHBondContact CB-OE2 3.48Å; S69-E71 PolarHBondContact O-N 3.42Å; S69-E71 PolarHBondContact OG-OE2 3.28Å; S69-E72 WeakPolarHBondContact O-CB 3.09Å; S69-E72 PolarHBondContact O-N 3.25Å; S69-E72 VanDerWaalsContact O-N 3.09Å; S69-Q73 PolarHBondContact O-N 2.91Å; S69-Q73 VanDerWaalsContact O-N 3.15Å
70	W	70.3	Confident	63.1	Low	48 Å²	48	93.5 Å²	93.5	18%	0.182	50%	0.497	C	S	.	.	H	α-helix	trans	-66.5	-27.1	-177.6	64.9	-86.8	0	0	0	111.5	E72 Q73 I74 L215 A252 H256 F262	W70-E72 VanDerWaalsContact C-N 3.34Å; W70-Q73 WeakPolarHBondContact O-CB 3.46Å; W70-Q73 PolarHBondContact O-N 2.87Å; W70-Q73 VanDerWaalsContact O-N 3.1Å; W70-I74 HydrophobicContact CE3-CD1 3.71Å; W70-I74 HydrophobicContact CE3-CG1 4.45Å; W70-I74 HydrophobicContact CZ3-CD1 3.68Å; W70-I74 PolarHBondContact O-N 3.09Å; W70-L215 HydrophobicContact CH2-CD2 4.24Å; W70-A252 HydrophobicContact CH2-CB 4.34Å; W70-A252 HydrophobicContact CZ3-CB 3.97Å; W70-H256 HydrophobicContact CH2-CB 4.16Å; W70-H256 HydrophobicContact CZ2-CB 4.37Å; W70-H256 AromaticContact CZ2-ND1 3.77Å; W70-F262 HydrophobicContact CB-CB 3.89Å; W70-F262 HydrophobicContact CB-CD1 4.42Å; W70-F262 HydrophobicContact CB-CG 4.24Å; W70-F262 HydrophobicContact CD2-CB 3.96Å; W70-F262 AromaticContact CD2-CD1 3.79Å; W70-F262 HydrophobicContact CD2-CD1 3.79Å; W70-F262 AromaticContact CD2-CD2 3.44Å; W70-F262 HydrophobicContact CD2-CD2 3.44Å; W70-F262 VanDerWaalsContact CD2-CD2 3.44Å; W70-F262 AromaticContact CD2-CE1 3.97Å; W70-F262 HydrophobicContact CD2-CE1 3.97Å; W70-F262 AromaticContact CD2-CE2 3.66Å; W70-F262 HydrophobicContact CD2-CE2 3.66Å; W70-F262 AromaticContact CD2-CG 3.46Å; W70-F262 HydrophobicContact CD2-CG 3.46Å; W70-F262 VanDerWaalsContact CD2-CG 3.46Å; W70-F262 AromaticContact CD2-CZ 3.86Å; W70-F262 HydrophobicContact CD2-CZ 3.86Å; W70-F262 AromaticContact CE2-CD2 3.36Å; W70-F262 AromaticContact CE2-CE2 3.5Å; W70-F262 AromaticContact CE2-CG 3.9Å; W70-F262 AromaticContact CE3-CD1 3.63Å; W70-F262 HydrophobicContact CE3-CD1 3.63Å; W70-F262 AromaticContact CE3-CD2 3.83Å; W70-F262 HydrophobicContact CE3-CD2 3.83Å; W70-F262 AromaticContact CE3-CE1 3.37Å; W70-F262 HydrophobicContact CE3-CE1 3.37Å; W70-F262 AromaticContact CE3-CE2 3.61Å; W70-F262 HydrophobicContact CE3-CE2 3.61Å; W70-F262 AromaticContact CE3-CG 3.8Å; W70-F262 HydrophobicContact CE3-CG 3.8Å; W70-F262 AromaticContact CE3-CZ 3.32Å; W70-F262 HydrophobicContact CE3-CZ 3.32Å; W70-F262 HydrophobicContact CG-CB 3.56Å; W70-F262 HydrophobicContact CG-CD1 4.13Å; W70-F262 AromaticContact CG-CD2 3.96Å; W70-F262 HydrophobicContact CG-CD2 3.96Å; W70-F262 AromaticContact CG-CG 3.65Å; W70-F262 HydrophobicContact CG-CG 3.65Å; W70-F262 HydrophobicContact CH2-CD2 4.07Å; W70-F262 HydrophobicContact CH2-CE1 4.34Å; W70-F262 AromaticContact CH2-CE2 3.3Å; W70-F262 HydrophobicContact CH2-CE2 3.3Å; W70-F262 AromaticContact CH2-CZ 3.42Å; W70-F262 HydrophobicContact CH2-CZ 3.42Å; W70-F262 VanDerWaalsContact CH2-CZ 3.42Å; W70-F262 AromaticContact CZ2-CD2 3.7Å; W70-F262 HydrophobicContact CZ2-CD2 3.7Å; W70-F262 AromaticContact CZ2-CE2 3.34Å; W70-F262 HydrophobicContact CZ2-CE2 3.34Å; W70-F262 AromaticContact CZ2-CZ 3.94Å; W70-F262 HydrophobicContact CZ2-CZ 3.94Å; W70-F262 HydrophobicContact CZ3-CD1 4.28Å; W70-F262 HydrophobicContact CZ3-CD2 4.13Å; W70-F262 AromaticContact CZ3-CE1 3.6Å; W70-F262 HydrophobicContact CZ3-CE1 3.6Å; W70-F262 AromaticContact CZ3-CE2 3.44Å; W70-F262 HydrophobicContact CZ3-CE2 3.44Å; W70-F262 VanDerWaalsContact CZ3-CE2 3.44Å; W70-F262 HydrophobicContact CZ3-CG 4.47Å; W70-F262 AromaticContact CZ3-CZ 3.07Å; W70-F262 HydrophobicContact CZ3-CZ 3.07Å; W70-F262 AromaticContact NE1-CD2 3.83Å
71	E	69.8	Low	66.4	Low	44 Å²	44	88.4 Å²	88.4	21%	0.206	48%	0.477	C	S	.	.	H	α-helix	trans	-59.5	-45.1	171.1	-56.8	85	169.1	0	0	110.5	S69 Q73 I74 L75 L215	S69-E71 WeakPolarHBondContact CB-OE2 3.48Å; S69-E71 PolarHBondContact O-N 3.42Å; S69-E71 PolarHBondContact OG-OE2 3.28Å; E71-Q73 VanDerWaalsContact C-N 3.29Å; E71-Q73 PolarHBondContact O-N 3.04Å; E71-I74 PolarHBondContact O-N 3.34Å; E71-L75 WeakPolarHBondContact O-CB 3.13Å; E71-L75 WeakPolarHBondContact O-CD1 3.5Å; E71-L75 VanDerWaalsContact O-CG 3.27Å; E71-L75 WeakPolarHBondContact O-CG 3.14Å; E71-L75 PolarHBondContact O-N 2.94Å; E71-L75 VanDerWaalsContact O-N 3.12Å; E71-L215 HydrophobicContact CG-CD2 4.36Å
72	E	72.4	Confident	69.7	Low	87 Å²	87	80.1 Å²	80.1	41%	0.407	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-32.1	173.2	-67.3	-170.1	-179.1	0	0	112.7	S68 S69 W70 L75 K76	S68-E72 WeakPolarHBondContact CB-OE2 3.36Å; S69-E72 WeakPolarHBondContact O-CB 3.09Å; S69-E72 PolarHBondContact O-N 3.25Å; S69-E72 VanDerWaalsContact O-N 3.09Å; W70-E72 VanDerWaalsContact C-N 3.34Å; E72-L75 PolarHBondContact O-N 3.41Å; E72-K76 HydrophobicContact CB-CD 4.38Å; E72-K76 VanDerWaalsContact O-CB 3.25Å; E72-K76 WeakPolarHBondContact O-CB 3.42Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 PolarHBondContact O-N 3.34Å; E72-K76 IonicContact OE2-NZ 3.93Å; E72-K76 PolarHBondContact OE2-NZ 3.37Å
73	Q	79.9	Confident	72.7	Confident	110 Å²	110	73.9 Å²	73.9	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-67.5	-45.7	178.5	-66.2	177.6	-1.3	0	0	111.1	S68 S69 W70 E71 L75 K76 A77	S68-Q73 PolarHBondContact OG-NE2 2.89Å; S69-Q73 PolarHBondContact O-N 2.91Å; S69-Q73 VanDerWaalsContact O-N 3.15Å; W70-Q73 WeakPolarHBondContact O-CB 3.46Å; W70-Q73 PolarHBondContact O-N 2.87Å; W70-Q73 VanDerWaalsContact O-N 3.1Å; E71-Q73 VanDerWaalsContact C-N 3.29Å; E71-Q73 PolarHBondContact O-N 3.04Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.08Å; Q73-K76 CarbonylContact O-C 3.51Å; Q73-K76 PolarHBondContact O-N 3.36Å; Q73-A77 PolarHBondContact O-N 3.14Å
74	I	81	Confident	75.7	Confident	6 Å²	6	73.9 Å²	73.9	3%	0.031	40%	0.395	C	S	.	.	H	α-helix	trans	-59.2	-41.3	173.7	-72.7	-179.8	0	0	0	111.2	W70 E71 K76 A77 Q248 A252 F262	W70-I74 HydrophobicContact CE3-CD1 3.71Å; W70-I74 HydrophobicContact CE3-CG1 4.45Å; W70-I74 HydrophobicContact CZ3-CD1 3.68Å; W70-I74 PolarHBondContact O-N 3.09Å; E71-I74 PolarHBondContact O-N 3.34Å; I74-K76 VanDerWaalsContact C-N 3.35Å; I74-A77 VanDerWaalsContact O-CB 3.31Å; I74-A77 WeakPolarHBondContact O-CB 3.31Å; I74-A77 PolarHBondContact O-N 3.35Å; I74-Q248 HydrophobicContact CG2-CB 4.03Å; I74-Q248 HydrophobicContact CG2-CG 4.48Å; I74-Q248 PolarHBondContact O-NE2 3.35Å; I74-A252 HydrophobicContact CD1-CB 4.11Å; I74-A252 HydrophobicContact CG2-CB 4.41Å; I74-F262 HydrophobicContact CD1-CE1 4.3Å
75	L	77.9	Confident	78.5	Confident	41 Å²	41	72.2 Å²	72.2	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-78.3	-15.5	-178.5	-67.6	169.1	0	0	0	114.5	E71 E72 Q73 F217 I249	E71-L75 WeakPolarHBondContact O-CB 3.13Å; E71-L75 WeakPolarHBondContact O-CD1 3.5Å; E71-L75 VanDerWaalsContact O-CG 3.27Å; E71-L75 WeakPolarHBondContact O-CG 3.14Å; E71-L75 PolarHBondContact O-N 2.94Å; E71-L75 VanDerWaalsContact O-N 3.12Å; E72-L75 PolarHBondContact O-N 3.41Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.08Å; L75-F217 HydrophobicContact CD1-CD1 4.5Å; L75-F217 HydrophobicContact CD1-CD2 3.62Å; L75-F217 HydrophobicContact CD1-CE1 4.4Å; L75-F217 HydrophobicContact CD1-CE2 3.53Å; L75-F217 HydrophobicContact CD1-CG 4.12Å; L75-F217 HydrophobicContact CD1-CZ 3.93Å; L75-F217 HydrophobicContact CD2-CE1 4.4Å; L75-F217 HydrophobicContact CD2-CZ 4.26Å; L75-I249 HydrophobicContact CD1-CD1 4.32Å; L75-I249 HydrophobicContact CD2-CD1 3.85Å; L75-I249 HydrophobicContact CD2-CG1 4.07Å
76	K	84.9	Confident	81.5	Confident	148 Å²	148	71.2 Å²	71.2	64%	0.643	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.2	172.7	-68.9	165.7	-176.5	170.9	0	112.3	E72 Q73 I74	E72-K76 HydrophobicContact CB-CD 4.38Å; E72-K76 VanDerWaalsContact O-CB 3.25Å; E72-K76 WeakPolarHBondContact O-CB 3.42Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 PolarHBondContact O-N 3.34Å; E72-K76 IonicContact OE2-NZ 3.93Å; E72-K76 PolarHBondContact OE2-NZ 3.37Å; Q73-K76 CarbonylContact O-C 3.51Å; Q73-K76 PolarHBondContact O-N 3.36Å; I74-K76 VanDerWaalsContact C-N 3.35Å
77	A	89.1	Confident	84.3	Confident	25 Å²	25	68.2 Å²	68.2	21%	0.207	34%	0.341	C	S	.	.	S	Bend	trans	-68.9	159.8	-179.2	0	0	0	0	0	112.1	Q73 I74 G131	Q73-A77 PolarHBondContact O-N 3.14Å; I74-A77 VanDerWaalsContact O-CB 3.31Å; I74-A77 WeakPolarHBondContact O-CB 3.31Å; I74-A77 PolarHBondContact O-N 3.35Å; A77-G131 WeakPolarHBondContact CB-O 3.19Å
78	K	93.5	Very high	86.8	Confident	139 Å²	139	58.3 Å²	58.3	60%	0.604	30%	0.304	S	S	*	.			trans	-63.1	136.2	-172.8	-170.6	-176.7	-177	-170.3	0	111.3	V80 L132 C133	K78-V80 HydrophobicContact CD-CG2 3.92Å; K78-V80 HydrophobicContact CG-CG2 4.03Å; K78-L132 HydrophobicContact CB-CD1 4.11Å; K78-L132 WeakPolarHBondContact O-CA 3.08Å; K78-L132 WeakPolarHBondContact O-CD1 3.44Å; K78-C133 PolarHBondContact O-N 3.28Å
79	V	97.6	Very high	88.7	Confident	48 Å²	48	60.1 Å²	60.1	29%	0.291	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.9	166.7	-173.5	0	0	0	0	108.7	C133 L135 V240 A244	V79-C133 CarbonylContact C-O 3.59Å; V79-C133 WeakPolarHBondContact CA-O 3.37Å; V79-C133 HydrophobicContact CG2-CB 4.41Å; V79-L135 HydrophobicContact CG1-CD1 3.6Å; V79-L135 HydrophobicContact CG1-CD2 4.48Å; V79-L135 HydrophobicContact CG1-CG 3.78Å; V79-V240 HydrophobicContact CB-CG1 4.33Å; V79-V240 HydrophobicContact CG1-CG1 3.71Å; V79-A244 HydrophobicContact CB-CB 4.37Å; V79-A244 HydrophobicContact CG1-CB 3.79Å; V79-A244 HydrophobicContact CG2-CB 3.58Å
80	V	97.8	Very high	90	Very high	25 Å²	25	65 Å²	65	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117	-178.3	-178.8	0	0	0	0	109.1	K78 V82 I91 L132 C133 V134 L135	K78-V80 HydrophobicContact CD-CG2 3.92Å; K78-V80 HydrophobicContact CG-CG2 4.03Å; V80-V82 HydrophobicContact CG1-CG2 4.32Å; V80-I91 HydrophobicContact CB-CG1 4.5Å; V80-I91 HydrophobicContact CG1-CD1 4.44Å; V80-I91 HydrophobicContact CG1-CG1 4.25Å; V80-I91 HydrophobicContact CG2-CD1 4.08Å; V80-L132 HydrophobicContact CG2-CD1 4.02Å; V80-C133 PolarHBondContact N-O 2.8Å; V80-V134 CarbonylContact O-C 3.49Å; V80-V134 WeakPolarHBondContact O-CA 3.36Å; V80-L135 PolarHBondContact O-N 3.11Å
81	T	98.1	Very high	91.4	Very high	51 Å²	51	63.2 Å²	63.2	31%	0.313	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.1	172.7	-57.9	0	0	0	0	109.8	L135 R137	T81-L135 WeakPolarHBondContact CA-O 3.26Å; T81-R137 HydrophobicContact CG2-CG 3.91Å
82	V	98.3	Very high	92.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115	-179.9	172.7	0	0	0	0	108.4	V80 E87 W88 I91 V134 L135 I136 R137 L141	V80-V82 HydrophobicContact CG1-CG2 4.32Å; V82-E87 HydrophobicContact CG1-CB 4.26Å; V82-E87 HydrophobicContact CG2-CB 4.49Å; V82-W88 HydrophobicContact CG1-CB 3.79Å; V82-I91 HydrophobicContact CG2-CG2 3.97Å; V82-V134 HydrophobicContact CB-CG1 4.5Å; V82-V134 HydrophobicContact CG2-CG1 3.67Å; V82-L135 PolarHBondContact N-O 3.07Å; V82-I136 HydrophobicContact CB-CG1 4.39Å; V82-R137 PolarHBondContact O-N 3.45Å; V82-L141 HydrophobicContact CG1-CD1 4.43Å; V82-L141 HydrophobicContact CG1-CD2 4.4Å
83	S	96.9	Very high	93.9	Very high	32 Å²	32	61.5 Å²	61.5	22%	0.224	32%	0.319	C	S	.	.			trans	-114.6	-16.4	177.4	-55.1	0	0	0	0	112.7	E87 R137 K140	S83-E87 WeakPolarHBondContact CA-OE2 3.38Å; S83-E87 PolarHBondContact N-OE2 3.5Å; S83-R137 WeakPolarHBondContact OG-CD 3.23Å; S83-K140 CarbonylContact O-C 3.53Å; S83-K140 WeakPolarHBondContact O-CB 3.43Å
84	Q	96.6	Very high	94.7	Very high	121 Å²	121	60 Å²	60	57%	0.565	31%	0.314	S	S	*	.	S	Bend	trans	-129.9	154.4	-179.2	-53	-170.7	16.9	0	0	112.2	A86 E87 W88	Q84-A86 VanDerWaalsContact C-N 3.35Å; Q84-A86 PolarHBondContact O-N 3.12Å; Q84-E87 HydrophobicContact CB-CG 4.21Å; Q84-E87 PolarHBondContact N-OE2 3.25Å; Q84-E87 WeakPolarHBondContact O-CB 3.49Å; Q84-E87 PolarHBondContact O-N 3.4Å; Q84-E87 VanDerWaalsContact O-N 3.14Å; Q84-W88 PolarHBondContact O-N 3.21Å
85	E	96.9	Very high	95.4	Very high	75 Å²	75	59.7 Å²	59.7	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-41.4	177.2	179.3	160.3	-135.3	0	0	112.7	E87 W88 D89 P149	E85-E87 PolarHBondContact O-N 3.29Å; E85-W88 WeakPolarHBondContact O-CA 3.25Å; E85-W88 VanDerWaalsContact O-CB 3.31Å; E85-W88 WeakPolarHBondContact O-CB 3.5Å; E85-W88 PolarHBondContact O-N 2.98Å; E85-D89 PolarHBondContact O-N 2.82Å; E85-P149 HydrophobicContact CB-CG 4.33Å; E85-P149 HydrophobicContact CG-CB 4.49Å; E85-P149 HydrophobicContact CG-CG 3.95Å
86	A	97.6	Very high	96.2	Very high	55 Å²	55	63.9 Å²	63.9	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-24.4	177.2	0	0	0	0	0	114.1	Q84 Q90	Q84-A86 VanDerWaalsContact C-N 3.35Å; Q84-A86 PolarHBondContact O-N 3.12Å; A86-Q90 VanDerWaalsContact O-CG 3.3Å; A86-Q90 WeakPolarHBondContact O-CG 3.29Å; A86-Q90 PolarHBondContact O-N 3.44Å; A86-Q90 PolarHBondContact O-NE2 3.37Å
87	E	98.3	Very high	96.7	Very high	69 Å²	69	59.3 Å²	59.3	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-79.4	-35.3	173.9	-61	166.9	155.4	0	0	110.6	V82 S83 Q84 E85 Q90 I91	V82-E87 HydrophobicContact CG1-CB 4.26Å; V82-E87 HydrophobicContact CG2-CB 4.49Å; S83-E87 WeakPolarHBondContact CA-OE2 3.38Å; S83-E87 PolarHBondContact N-OE2 3.5Å; Q84-E87 HydrophobicContact CB-CG 4.21Å; Q84-E87 PolarHBondContact N-OE2 3.25Å; Q84-E87 WeakPolarHBondContact O-CB 3.49Å; Q84-E87 PolarHBondContact O-N 3.4Å; Q84-E87 VanDerWaalsContact O-N 3.14Å; E85-E87 PolarHBondContact O-N 3.29Å; E87-Q90 PolarHBondContact O-N 3.01Å; E87-I91 PolarHBondContact O-N 3.49Å
88	W	98.3	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-47.9	171.5	172.9	-100.9	0	0	0	111.4	V82 Q84 E85 Q90 I91 E92 L95 M126 V134 I136 P149 T151 L152 I155	V82-W88 HydrophobicContact CG1-CB 3.79Å; Q84-W88 PolarHBondContact O-N 3.21Å; E85-W88 WeakPolarHBondContact O-CA 3.25Å; E85-W88 VanDerWaalsContact O-CB 3.31Å; E85-W88 WeakPolarHBondContact O-CB 3.5Å; E85-W88 PolarHBondContact O-N 2.98Å; W88-Q90 PolarHBondContact O-N 3.37Å; W88-I91 HydrophobicContact CE3-CG2 4.17Å; W88-I91 WeakPolarHBondContact O-CG2 3.36Å; W88-I91 PolarHBondContact O-N 3.08Å; W88-E92 HydrophobicContact CD2-CB 4.42Å; W88-E92 HydrophobicContact CH2-CB 4.37Å; W88-E92 HydrophobicContact CH2-CG 4.21Å; W88-E92 HydrophobicContact CZ2-CB 3.81Å; W88-E92 HydrophobicContact CZ2-CG 3.52Å; W88-E92 PolarHBondContact O-N 2.8Å; W88-L95 HydrophobicContact CH2-CD2 4.08Å; W88-L95 HydrophobicContact CZ3-CD2 4.29Å; W88-M126 HydrophobicContact CH2-CE 3.82Å; W88-M126 HydrophobicContact CZ3-CE 3.8Å; W88-V134 HydrophobicContact CZ3-CG1 4.35Å; W88-I136 HydrophobicContact CE3-CD1 3.72Å; W88-I136 HydrophobicContact CE3-CG1 4.43Å; W88-I136 HydrophobicContact CH2-CD1 4.36Å; W88-I136 HydrophobicContact CZ3-CD1 3.53Å; W88-I136 HydrophobicContact CZ3-CG1 4.47Å; W88-P149 HydrophobicContact CB-CG 4.29Å; W88-P149 HydrophobicContact CG-CB 4.16Å; W88-P149 HydrophobicContact CG-CG 3.99Å; W88-T151 PolarHBondContact NE1-OG1 2.99Å; W88-L152 HydrophobicContact CD2-CB 4.4Å; W88-L152 HydrophobicContact CH2-CB 4.25Å; W88-L152 HydrophobicContact CH2-CD1 3.92Å; W88-L152 VanDerWaalsContact CZ2-CA 3.44Å; W88-L152 HydrophobicContact CZ2-CB 3.65Å; W88-L152 HydrophobicContact CZ2-CD1 4.19Å; W88-L152 HydrophobicContact CZ3-CD1 4.27Å; W88-I155 HydrophobicContact CH2-CD1 3.98Å; W88-I155 HydrophobicContact CZ2-CD1 4.01Å
89	D	97.7	Very high	96.8	Very high	86 Å²	86	54.5 Å²	54.5	46%	0.46	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-25.2	-178.4	-65.8	-27	0	0	0	112.9	E85 P93	E85-D89 PolarHBondContact O-N 2.82Å; D89-P93 WeakPolarHBondContact O-CD 3.31Å
90	Q	98	Very high	96.4	Very high	154 Å²	154	59.4 Å²	59.4	72%	0.72	31%	0.308	S	S	*	.	H	α-helix	trans	-77	-33.3	173.6	-74.5	169.6	56.3	0	0	113.2	A86 E87 W88	A86-Q90 VanDerWaalsContact O-CG 3.3Å; A86-Q90 WeakPolarHBondContact O-CG 3.29Å; A86-Q90 PolarHBondContact O-N 3.44Å; A86-Q90 PolarHBondContact O-NE2 3.37Å; E87-Q90 PolarHBondContact O-N 3.01Å; W88-Q90 PolarHBondContact O-N 3.37Å
91	I	98	Very high	95.6	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.062	32%	0.318	C	S	.	.	H	α-helix	trans	-97.2	-25.1	-174.7	-161.2	63.5	0	0	0	113.6	V80 V82 E87 W88 L94 L95 L132 V134	V80-I91 HydrophobicContact CB-CG1 4.5Å; V80-I91 HydrophobicContact CG1-CD1 4.44Å; V80-I91 HydrophobicContact CG1-CG1 4.25Å; V80-I91 HydrophobicContact CG2-CD1 4.08Å; V82-I91 HydrophobicContact CG2-CG2 3.97Å; E87-I91 PolarHBondContact O-N 3.49Å; W88-I91 HydrophobicContact CE3-CG2 4.17Å; W88-I91 WeakPolarHBondContact O-CG2 3.36Å; W88-I91 PolarHBondContact O-N 3.08Å; I91-L94 HydrophobicContact CD1-CB 4.4Å; I91-L94 HydrophobicContact CD1-CD2 3.96Å; I91-L94 PolarHBondContact O-N 3.36Å; I91-L95 PolarHBondContact O-N 3.01Å; I91-L132 HydrophobicContact CD1-CD2 4.36Å; I91-V134 HydrophobicContact CG1-CG2 3.96Å; I91-V134 HydrophobicContact CG2-CG1 4.13Å; I91-V134 HydrophobicContact CG2-CG2 4.5Å
92	E	97.7	Very high	95.1	Very high	20 Å²	20	60.6 Å²	60.6	9%	0.093	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-42.7	179.9	-169.6	-90.7	176.1	0	0	113.8	W88 L94 L95 R96 I155	W88-E92 HydrophobicContact CD2-CB 4.42Å; W88-E92 HydrophobicContact CH2-CB 4.37Å; W88-E92 HydrophobicContact CH2-CG 4.21Å; W88-E92 HydrophobicContact CZ2-CB 3.81Å; W88-E92 HydrophobicContact CZ2-CG 3.52Å; W88-E92 PolarHBondContact O-N 2.8Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.72Å; E92-L95 PolarHBondContact O-N 3.31Å; E92-R96 WeakPolarHBondContact O-CB 3.28Å; E92-R96 PolarHBondContact O-N 3.24Å; E92-R96 IonicContact OE1-NE 3.77Å; E92-R96 PolarHBondContact OE1-NE 3.5Å; E92-I155 HydrophobicContact CG-CD1 3.96Å
93	P	97.8	Very high	94.9	Very high	74 Å²	74	61.6 Å²	61.6	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-33.8	179.2	-24.8	36.3	0	0	0	113.2	D89 S97	D89-P93 WeakPolarHBondContact O-CD 3.31Å; P93-S97 PolarHBondContact O-N 2.69Å; P93-S97 VanDerWaalsContact O-N 3.11Å
94	L	95.8	Very high	94.9	Very high	78 Å²	78	60 Å²	60	41%	0.408	31%	0.306	S	S	.	.	H	α-helix	trans	-72.9	-46.1	175.2	179.7	61.9	0	0	0	111.1	I91 E92 R96 S97 E98 L132	I91-L94 HydrophobicContact CD1-CB 4.4Å; I91-L94 HydrophobicContact CD1-CD2 3.96Å; I91-L94 PolarHBondContact O-N 3.36Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.72Å; L94-R96 PolarHBondContact O-N 2.96Å; L94-S97 PolarHBondContact O-N 2.9Å; L94-S97 PolarHBondContact O-OG 3.28Å; L94-E98 WeakPolarHBondContact O-CG 3.46Å; L94-E98 PolarHBondContact O-N 2.84Å; L94-L132 HydrophobicContact CD2-CD2 3.91Å; L94-L132 HydrophobicContact CG-CD2 3.98Å
95	L	96.4	Very high	95	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-36.4	176.1	-174.9	64.6	0	0	0	111.2	W88 I91 E92 L99 L105 M126 V134 I155	W88-L95 HydrophobicContact CH2-CD2 4.08Å; W88-L95 HydrophobicContact CZ3-CD2 4.29Å; I91-L95 PolarHBondContact O-N 3.01Å; E92-L95 PolarHBondContact O-N 3.31Å; L95-L99 WeakPolarHBondContact O-CD1 3.31Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L105 HydrophobicContact CD1-CD2 3.84Å; L95-L105 HydrophobicContact CG-CD2 4.47Å; L95-M126 HydrophobicContact CD2-CE 3.97Å; L95-V134 HydrophobicContact CD1-CG2 4.38Å; L95-V134 HydrophobicContact CD2-CG2 4.28Å; L95-I155 HydrophobicContact CD2-CD1 4.43Å
96	R	95.3	Very high	95.1	Very high	130 Å²	130	50.8 Å²	50.8	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-42.7	177.5	172	173.4	-97.5	-73.6	-3.5	112.6	E92 L94 E98 L99	E92-R96 WeakPolarHBondContact O-CB 3.28Å; E92-R96 PolarHBondContact O-N 3.24Å; E92-R96 IonicContact OE1-NE 3.77Å; E92-R96 PolarHBondContact OE1-NE 3.5Å; L94-R96 PolarHBondContact O-N 2.96Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-L99 PolarHBondContact O-N 2.83Å; R96-L99 VanDerWaalsContact O-N 3.15Å
97	S	94.3	Very high	95.1	Very high	52 Å²	52	48.3 Å²	48.3	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-68	-34	178.9	66.1	0	0	0	0	112.2	P93 L94 L99 E100	P93-S97 PolarHBondContact O-N 2.69Å; P93-S97 VanDerWaalsContact O-N 3.11Å; L94-S97 PolarHBondContact O-N 2.9Å; L94-S97 PolarHBondContact O-OG 3.28Å; S97-L99 PolarHBondContact O-N 3.24Å; S97-E100 PolarHBondContact O-N 2.88Å
98	E	92.3	Very high	95.1	Very high	50 Å²	50	46.4 Å²	46.4	23%	0.234	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-12.7	172.9	-67.7	-174	148.7	0	0	114.2	L94 R96 S128 S130 L132	L94-E98 WeakPolarHBondContact O-CG 3.46Å; L94-E98 PolarHBondContact O-N 2.84Å; R96-E98 VanDerWaalsContact C-N 3.33Å; E98-S128 WeakPolarHBondContact OE2-CB 3.43Å; E98-S128 PolarHBondContact OE2-OG 3.4Å; E98-S130 VanDerWaalsContact OE1-CB 3.24Å; E98-S130 WeakPolarHBondContact OE1-CB 3.35Å; E98-S130 PolarHBondContact OE1-OG 3.13Å; E98-S130 PolarHBondContact OE2-OG 3.33Å; E98-L132 VanDerWaalsContact OE2-CB 3.3Å; E98-L132 WeakPolarHBondContact OE2-CB 3.41Å; E98-L132 VanDerWaalsContact OE2-CD2 3.26Å; E98-L132 WeakPolarHBondContact OE2-CD2 3.22Å
99	L	93.6	Very high	95.1	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-99.3	-1.2	176.6	-65.7	169.4	0	0	0	113.8	L95 R96 S97 P103 V104 L105 I161	L95-L99 WeakPolarHBondContact O-CD1 3.31Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; R96-L99 PolarHBondContact O-N 2.83Å; R96-L99 VanDerWaalsContact O-N 3.15Å; S97-L99 PolarHBondContact O-N 3.24Å; L99-P103 WeakPolarHBondContact O-CA 3.48Å; L99-P103 WeakPolarHBondContact O-CB 3.37Å; L99-V104 VanDerWaalsContact CD2-O 3.27Å; L99-V104 WeakPolarHBondContact CD2-O 3.36Å; L99-L105 HydrophobicContact CD1-CD1 4.17Å; L99-L105 HydrophobicContact CD1-CD2 4.12Å; L99-L105 HydrophobicContact CD1-CG 4.14Å; L99-L105 HydrophobicContact CD2-CD2 3.83Å; L99-L105 HydrophobicContact CD2-CG 3.88Å; L99-L105 HydrophobicContact CG-CD2 4.37Å; L99-I161 HydrophobicContact CD1-CD1 4.33Å; L99-I161 HydrophobicContact CD1-CG2 4.33Å; L99-I161 HydrophobicContact CD2-CG2 4.29Å
100	E	89.3	Confident	95	Very high	150 Å²	150	43.2 Å²	43.2	70%	0.701	22%	0.216	S	C	*	.	H	α-helix	trans	-70.5	-43.7	-179.9	-69.1	-179	-178.4	0	0	112.4	S97	S97-E100 PolarHBondContact O-N 2.88Å
101	D	80.6	Confident	94.8	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-74.9	-48.5	175.8	-77.1	-48.6	0	0	0	111.9	N271	D101-N271 PolarHBondContact OD1-ND2 2.93Å
102	F	86.9	Confident	94.5	Very high	33 Å²	33	40.8 Å²	40.8	15%	0.145	20%	0.202	C	C	.	.			trans	-133.3	90.1	-172.4	-61.9	-69.6	0	0	0	109.7	V104 P129 Y260 W276	F102-V104 HydrophobicContact CB-CG1 4.46Å; F102-V104 PolarHBondContact O-N 3.46Å; F102-P129 HydrophobicContact CB-CB 4.35Å; F102-P129 HydrophobicContact CB-CG 3.83Å; F102-P129 WeakPolarHBondContact O-CG 3.11Å; F102-Y260 HydrophobicContact CE1-CD2 4.48Å; F102-Y260 AromaticContact CE1-CE1 3.8Å; F102-Y260 HydrophobicContact CE1-CE1 3.8Å; F102-Y260 AromaticContact CE1-CE2 3.72Å; F102-Y260 HydrophobicContact CE1-CE2 3.72Å; F102-Y260 AromaticContact CE1-CZ 3.35Å; F102-Y260 WeakPolarHBondContact CE1-OH 3.47Å; F102-Y260 HydrophobicContact CE2-CE1 4.49Å; F102-Y260 HydrophobicContact CZ-CD1 4.42Å; F102-Y260 AromaticContact CZ-CE1 3.52Å; F102-Y260 HydrophobicContact CZ-CE1 3.52Å; F102-Y260 HydrophobicContact CZ-CE2 4.29Å; F102-Y260 AromaticContact CZ-CZ 3.46Å; F102-Y260 VanDerWaalsContact CZ-CZ 3.46Å; F102-Y260 WeakPolarHBondContact CZ-OH 3.43Å; F102-W276 AromaticContact CD1-CE3 3.82Å; F102-W276 HydrophobicContact CD1-CE3 3.82Å; F102-W276 HydrophobicContact CD1-CZ3 4.08Å
103	P	95	Very high	93.7	Very high	21 Å²	21	45.1 Å²	45.1	14%	0.136	23%	0.226	C	C	.	.			trans	-75	75	-178.1	30.6	-35.9	0	0	0	110.8	L99 I161 L162 W276	L99-P103 WeakPolarHBondContact O-CA 3.48Å; L99-P103 WeakPolarHBondContact O-CB 3.37Å; P103-I161 HydrophobicContact CB-CG1 4.13Å; P103-I161 CarbonylContact O-C 3.28Å; P103-I161 WeakPolarHBondContact O-CA 3.1Å; P103-L162 PolarHBondContact O-N 2.98Å; P103-W276 HydrophobicContact CG-CZ2 3.78Å
104	V	96.9	Very high	92.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.4	174.7	59.1	0	0	0	0	111.2	L99 F102 P129 L162 V164 V251 F254 W276	L99-V104 VanDerWaalsContact CD2-O 3.27Å; L99-V104 WeakPolarHBondContact CD2-O 3.36Å; F102-V104 HydrophobicContact CB-CG1 4.46Å; F102-V104 PolarHBondContact O-N 3.46Å; V104-P129 HydrophobicContact CG1-CG 3.98Å; V104-P129 WeakPolarHBondContact O-CD 3.16Å; V104-L162 CarbonylContact C-O 3.41Å; V104-L162 WeakPolarHBondContact CA-O 3.26Å; V104-L162 HydrophobicContact CB-CB 4.2Å; V104-L162 HydrophobicContact CG2-CB 4Å; V104-V164 HydrophobicContact CG2-CB 4.35Å; V104-V164 HydrophobicContact CG2-CG1 3.65Å; V104-V164 HydrophobicContact CG2-CG2 3.75Å; V104-V251 HydrophobicContact CG1-CG2 4.22Å; V104-F254 HydrophobicContact CB-CD1 4.31Å; V104-F254 HydrophobicContact CB-CE1 4.01Å; V104-F254 HydrophobicContact CG1-CD1 4.02Å; V104-F254 HydrophobicContact CG1-CE1 3.88Å; V104-F254 HydrophobicContact CG2-CD1 3.76Å; V104-F254 HydrophobicContact CG2-CE1 3.81Å; V104-F254 HydrophobicContact CG2-CG 4.26Å; V104-F254 HydrophobicContact CG2-CZ 4.35Å; V104-W276 HydrophobicContact CB-CH2 4.08Å; V104-W276 HydrophobicContact CG1-CH2 4.2Å
105	L	98.5	Very high	91.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.9	172.4	-68.4	171.7	0	0	0	109.6	L95 L99 I107 M126 A127 I155 I161 L162 K163 V164	L95-L105 HydrophobicContact CD1-CD2 3.84Å; L95-L105 HydrophobicContact CG-CD2 4.47Å; L99-L105 HydrophobicContact CD1-CD1 4.17Å; L99-L105 HydrophobicContact CD1-CD2 4.12Å; L99-L105 HydrophobicContact CD1-CG 4.14Å; L99-L105 HydrophobicContact CD2-CD2 3.83Å; L99-L105 HydrophobicContact CD2-CG 3.88Å; L99-L105 HydrophobicContact CG-CD2 4.37Å; L105-I107 PolarHBondContact O-N 3.26Å; L105-M126 HydrophobicContact CD1-CB 4.39Å; L105-M126 HydrophobicContact CD1-CG 4.45Å; L105-M126 HydrophobicContact CD1-SD 3.95Å; L105-M126 HydrophobicContact CD2-CB 4.48Å; L105-A127 CarbonylContact C-O 3.49Å; L105-A127 VanDerWaalsContact CA-O 3.27Å; L105-A127 WeakPolarHBondContact CA-O 3.16Å; L105-I155 HydrophobicContact CD1-CG2 3.64Å; L105-I161 HydrophobicContact CD1-CG2 4.24Å; L105-I161 HydrophobicContact CG-CG2 4.24Å; L105-L162 PolarHBondContact N-O 3.31Å; L105-K163 CarbonylContact O-C 3.53Å; L105-K163 VanDerWaalsContact O-CA 3.32Å; L105-K163 WeakPolarHBondContact O-CA 3.33Å; L105-V164 WeakPolarHBondContact O-CG2 3.18Å; L105-V164 PolarHBondContact O-N 2.82Å
106	G	98.4	Very high	90.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.7	157.8	0	0	0	0	0	108.7	M126 A127 V164	G106-M126 CarbonylContact O-C 3.51Å; G106-M126 VanDerWaalsContact O-CA 3.31Å; G106-M126 WeakPolarHBondContact O-CA 3.39Å; G106-A127 PolarHBondContact N-O 3.42Å; G106-A127 PolarHBondContact O-N 2.85Å; G106-V164 CarbonylContact C-O 3.43Å; G106-V164 WeakPolarHBondContact CA-O 2.77Å
107	I	98.6	Very high	89.1	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.5	-179.9	-164.1	165.5	0	0	0	110.5	L105 L124 Q125 L156 K163 V164 C168 L175 V183	L105-I107 PolarHBondContact O-N 3.26Å; I107-L124 HydrophobicContact CD1-CD1 3.93Å; I107-L124 HydrophobicContact CG1-CD1 3.82Å; I107-Q125 WeakPolarHBondContact CA-O 3.47Å; I107-L156 HydrophobicContact CD1-CD2 4.15Å; I107-K163 HydrophobicContact CB-CB 4.31Å; I107-K163 HydrophobicContact CD1-CB 4.43Å; I107-K163 HydrophobicContact CD1-CG 4.08Å; I107-K163 HydrophobicContact CG2-CB 3.89Å; I107-V164 PolarHBondContact N-O 2.87Å; I107-C168 HydrophobicContact CG2-CB 3.67Å; I107-L175 HydrophobicContact CD1-CD1 4.25Å; I107-V183 HydrophobicContact CD1-CG1 4.49Å
108	D	98.1	Very high	88.3	Confident	29 Å²	29	56.5 Å²	56.5	16%	0.155	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	169.1	172.9	-168.7	24.3	0	0	0	110.1	Q125 D246 A247	D108-Q125 HydrophobicContact CB-CB 4.23Å; D108-Q125 PolarHBondContact N-O 3.48Å; D108-Q125 PolarHBondContact O-N 2.79Å; D108-Q125 PolarHBondContact O-OE1 3.18Å; D108-Q125 PolarHBondContact OD2-NE2 2.79Å; D108-D246 WeakPolarHBondContact OD2-CB 3.33Å; D108-A247 HydrophobicContact CB-CB 4.47Å
109	C	97.4	Very high	88.1	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	137.5	-170.6	-96.7	0	0	0	0	113.1	W111 L121 D171	C109-W111 WeakPolarHBondContact O-CZ3 3.39Å; C109-L121 HydrophobicContact CB-CD2 3.53Å; C109-D171 HydrophobicContact CB-CB 4.03Å
110	E	96.3	Very high	88	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150	176.5	-67.7	-70.7	177.7	0	0	112.8	S122 L123 W230 Y242	E110-S122 PolarHBondContact O-N 3.37Å; E110-L123 HydrophobicContact CB-CB 3.91Å; E110-L123 PolarHBondContact N-O 3.1Å; E110-L123 VanDerWaalsContact N-O 3.13Å; E110-L123 PolarHBondContact O-N 3.27Å; E110-L123 VanDerWaalsContact O-N 3.1Å; E110-W230 HydrophobicContact CB-CB 4.43Å; E110-W230 HydrophobicContact CB-CD2 3.71Å; E110-W230 HydrophobicContact CB-CE3 4.24Å; E110-W230 HydrophobicContact CB-CG 3.78Å; E110-W230 HydrophobicContact CB-CZ2 4.35Å; E110-W230 VanDerWaalsContact CD-CE2 3.49Å; E110-W230 VanDerWaalsContact CD-CZ2 3.45Å; E110-W230 HydrophobicContact CG-CD2 3.97Å; E110-W230 HydrophobicContact CG-CE3 4.32Å; E110-W230 HydrophobicContact CG-CH2 4.09Å; E110-W230 HydrophobicContact CG-CZ2 3.7Å; E110-W230 HydrophobicContact CG-CZ3 4.37Å; E110-W230 PolarHBondContact OE2-NE1 3.15Å; E110-Y242 WeakPolarHBondContact OE1-CE1 3.3Å
111	W	94.3	Very high	88.4	Confident	93 Å²	93	50.4 Å²	50.4	35%	0.352	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	158.5	179.2	63	88.1	0	0	0	112.5	C109 L121 K174	C109-W111 WeakPolarHBondContact O-CZ3 3.39Å; W111-L121 HydrophobicContact CB-CD2 4.4Å; W111-L121 HydrophobicContact CD2-CD2 4.48Å; W111-L121 HydrophobicContact CE3-CD2 3.67Å; W111-L121 HydrophobicContact CZ3-CD2 4.38Å; W111-K174 HydrophobicContact CD2-CD 4.14Å; W111-K174 VanDerWaalsContact CD2-CE 3.42Å; W111-K174 HydrophobicContact CE3-CD 3.94Å; W111-K174 HydrophobicContact CZ3-CD 4.16Å
112	V	90.5	Very high	89.1	Confident	22 Å²	22	47.2 Å²	47.2	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	148.2	175.9	-174.7	0	0	0	0	110.6	L114 S119 W230 D231	V112-L114 HydrophobicContact CG1-CD2 4.49Å; V112-L114 HydrophobicContact CG1-CG 4.17Å; V112-S119 PolarHBondContact N-OG 3.11Å; V112-S119 WeakPolarHBondContact O-CB 3.43Å; V112-S119 PolarHBondContact O-N 2.9Å; V112-S119 PolarHBondContact O-OG 2.9Å; V112-W230 HydrophobicContact CG2-CB 4.13Å; V112-D231 HydrophobicContact CG2-CB 4.1Å; V112-D231 WeakPolarHBondContact CG2-OD2 3.37Å
113	N	81.7	Confident	89.7	Confident	110 Å²	110	45.7 Å²	45.7	59%	0.588	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	104.3	171.4	-171.8	-0.1	0	0	0	109.7	G116 K117	N113-G116 WeakPolarHBondContact OD1-CA 3.17Å; N113-G116 PolarHBondContact OD1-N 3.01Å; N113-K117 PolarHBondContact OD1-N 3.34Å; N113-K117 PolarHBondContact OD1-O 2.83Å
114	L	73.6	Confident	89.8	Confident	106 Å²	106	44.7 Å²	44.7	56%	0.555	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.1	179.5	-73	162.6	0	0	0	108.8	V112 G116 K117	V112-L114 HydrophobicContact CG1-CD2 4.49Å; V112-L114 HydrophobicContact CG1-CG 4.17Å; L114-G116 PolarHBondContact O-N 3.29Å; L114-G116 VanDerWaalsContact O-N 3.13Å; L114-K117 PolarHBondContact N-O 2.69Å; L114-K117 PolarHBondContact O-N 3.4Å; L114-K117 VanDerWaalsContact O-O 3.07Å
115	E	70.8	Confident	89.9	Confident	189 Å²	189	44.7 Å²	44.7	88%	0.883	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	33.7	176.5	-55.3	-177.2	167.1	0	0	114.6	K117	E115-K117 VanDerWaalsContact C-N 3.29Å; E115-K117 PolarHBondContact O-N 2.64Å
116	G	70.1	Confident	89.9	Confident	68 Å²	68	44.7 Å²	44.7	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	5.8	-178	0	0	0	0	0	114.6	N113 L114	N113-G116 WeakPolarHBondContact OD1-CA 3.17Å; N113-G116 PolarHBondContact OD1-N 3.01Å; L114-G116 PolarHBondContact O-N 3.29Å; L114-G116 VanDerWaalsContact O-N 3.13Å
117	K	73.2	Confident	89.9	Confident	151 Å²	151	44.7 Å²	44.7	66%	0.657	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.1	171.1	-61.3	170.2	-171.3	159.5	0	109	N113 L114 E115 S119	N113-K117 PolarHBondContact OD1-N 3.34Å; N113-K117 PolarHBondContact OD1-O 2.83Å; L114-K117 PolarHBondContact N-O 2.69Å; L114-K117 PolarHBondContact O-N 3.4Å; L114-K117 VanDerWaalsContact O-O 3.07Å; E115-K117 VanDerWaalsContact C-N 3.29Å; E115-K117 PolarHBondContact O-N 2.64Å; K117-S119 PolarHBondContact O-N 3.02Å
118	A	77.6	Confident	89.8	Confident	59 Å²	59	44.5 Å²	44.5	49%	0.488	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.1	170.1	0	0	0	0	0	109.8
119	S	88.3	Confident	89.5	Confident	10 Å²	10	44 Å²	44	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	169.1	168.1	69	0	0	0	0	110.7	V112 K117 K174	V112-S119 PolarHBondContact N-OG 3.11Å; V112-S119 WeakPolarHBondContact O-CB 3.43Å; V112-S119 PolarHBondContact O-N 2.9Å; V112-S119 PolarHBondContact O-OG 2.9Å; K117-S119 PolarHBondContact O-N 3.02Å; S119-K174 PolarHBondContact O-NZ 3.24Å
120	P	92.9	Very high	89.2	Confident	75 Å²	75	46.4 Å²	46.4	49%	0.487	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50	153.5	155.5	-25.2	36.4	0	0	0	111.6	S122 D178 Y179	P120-S122 PolarHBondContact O-N 3.5Å; P120-D178 WeakPolarHBondContact CA-OD2 3.35Å; P120-D178 HydrophobicContact CB-CB 4.26Å; P120-Y179 HydrophobicContact CB-CE2 4.26Å
121	L	96.1	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	126	176.4	-73.1	163.9	0	0	0	112.9	C109 W111 L138 P139 K174 L175 D178 Y179	C109-L121 HydrophobicContact CB-CD2 3.53Å; W111-L121 HydrophobicContact CB-CD2 4.4Å; W111-L121 HydrophobicContact CD2-CD2 4.48Å; W111-L121 HydrophobicContact CE3-CD2 3.67Å; W111-L121 HydrophobicContact CZ3-CD2 4.38Å; L121-L138 HydrophobicContact CB-CD1 3.88Å; L121-L138 HydrophobicContact CD1-CD1 4.4Å; L121-P139 WeakPolarHBondContact O-CD 3.19Å; L121-P139 WeakPolarHBondContact O-CG 3.48Å; L121-K174 HydrophobicContact CD1-CB 4.18Å; L121-K174 HydrophobicContact CD1-CD 4.46Å; L121-K174 HydrophobicContact CD1-CG 3.93Å; L121-K174 HydrophobicContact CD2-CD 3.71Å; L121-K174 VanDerWaalsContact CD2-CE 3.47Å; L121-K174 HydrophobicContact CD2-CG 4.11Å; L121-K174 HydrophobicContact CG-CD 3.92Å; L121-K174 HydrophobicContact CG-CG 3.8Å; L121-L175 HydrophobicContact CD1-CB 4.29Å; L121-L175 HydrophobicContact CD1-CD2 3.51Å; L121-L175 HydrophobicContact CD1-CG 3.6Å; L121-D178 PolarHBondContact N-OD2 2.91Å; L121-D178 VanDerWaalsContact N-OD2 3.11Å; L121-Y179 HydrophobicContact CB-CD2 4.42Å; L121-Y179 HydrophobicContact CB-CE2 3.87Å; L121-Y179 PolarHBondContact O-OH 3.43Å
122	S	96.7	Very high	89.1	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-35.4	176.7	-55.4	0	0	0	0	111.6	E110 P120 P139 W230 D231	E110-S122 PolarHBondContact O-N 3.37Å; P120-S122 PolarHBondContact O-N 3.5Å; S122-P139 VanDerWaalsContact O-CD 3.28Å; S122-P139 WeakPolarHBondContact O-CD 3.3Å; S122-W230 VanDerWaalsContact CB-CB 3.48Å; S122-D231 WeakPolarHBondContact CB-OD1 3.28Å; S122-D231 VanDerWaalsContact OG-CG 3.27Å; S122-D231 PolarHBondContact OG-OD1 3.01Å
123	L	98.2	Very high	89.5	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145	-175.8	-152.3	66.9	0	0	0	111.4	E110 Q125 L135 I136 R137 W230 L235 A243	E110-L123 HydrophobicContact CB-CB 3.91Å; E110-L123 PolarHBondContact N-O 3.1Å; E110-L123 VanDerWaalsContact N-O 3.13Å; E110-L123 PolarHBondContact O-N 3.27Å; E110-L123 VanDerWaalsContact O-N 3.1Å; L123-Q125 HydrophobicContact CD2-CG 4.16Å; L123-Q125 HydrophobicContact CG-CG 4.46Å; L123-Q125 PolarHBondContact O-OE1 3.14Å; L123-L135 HydrophobicContact CD1-CB 4.16Å; L123-L135 HydrophobicContact CD2-CB 4.34Å; L123-L135 HydrophobicContact CD2-CD2 4.45Å; L123-L135 HydrophobicContact CG-CB 4.42Å; L123-I136 WeakPolarHBondContact CA-O 3.42Å; L123-R137 HydrophobicContact CD1-CG 3.82Å; L123-W230 HydrophobicContact CD2-CE3 4.39Å; L123-W230 HydrophobicContact CD2-CZ3 4.31Å; L123-L235 HydrophobicContact CD1-CD1 4.1Å; L123-L235 HydrophobicContact CD2-CD1 4.35Å; L123-A243 HydrophobicContact CD2-CB 3.67Å
124	L	98.6	Very high	90.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.6	164.5	162.6	64.4	0	0	0	108.1	I107 M126 I136 L138 L152 L156 L175	I107-L124 HydrophobicContact CD1-CD1 3.93Å; I107-L124 HydrophobicContact CG1-CD1 3.82Å; L124-M126 HydrophobicContact CD1-CG 4.35Å; L124-M126 HydrophobicContact CG-CG 4.37Å; L124-I136 HydrophobicContact CB-CB 4.37Å; L124-I136 HydrophobicContact CD2-CD1 4.42Å; L124-I136 PolarHBondContact N-O 3.16Å; L124-I136 PolarHBondContact O-N 2.95Å; L124-L138 HydrophobicContact CB-CD1 3.94Å; L124-L138 HydrophobicContact CB-CD2 4.29Å; L124-L138 HydrophobicContact CB-CG 4.07Å; L124-L138 HydrophobicContact CD2-CD2 4.34Å; L124-L152 HydrophobicContact CD2-CD1 4.29Å; L124-L156 HydrophobicContact CD2-CD1 4.13Å; L124-L156 HydrophobicContact CD2-CD2 4.42Å; L124-L175 HydrophobicContact CD1-CD1 4.14Å; L124-L175 HydrophobicContact CD1-CD2 4.36Å; L124-L175 HydrophobicContact CD2-CD2 4.27Å
125	Q	98.6	Very high	91.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133	178.9	-57.2	93.3	-93.1	0	0	110.1	I107 D108 L123 L135 A243 A247	I107-Q125 WeakPolarHBondContact CA-O 3.47Å; D108-Q125 HydrophobicContact CB-CB 4.23Å; D108-Q125 PolarHBondContact N-O 3.48Å; D108-Q125 PolarHBondContact O-N 2.79Å; D108-Q125 PolarHBondContact O-OE1 3.18Å; D108-Q125 PolarHBondContact OD2-NE2 2.79Å; L123-Q125 HydrophobicContact CD2-CG 4.16Å; L123-Q125 HydrophobicContact CG-CG 4.46Å; L123-Q125 PolarHBondContact O-OE1 3.14Å; Q125-L135 HydrophobicContact CB-CD2 4.03Å; Q125-L135 HydrophobicContact CG-CD2 3.47Å; Q125-L135 VanDerWaalsContact CG-CD2 3.47Å; Q125-A243 HydrophobicContact CG-CB 3.99Å; Q125-A247 HydrophobicContact CB-CB 3.86Å
126	M	98.6	Very high	92.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114.2	173.2	-66.9	-172.2	-56.6	0	0	110	W88 L95 L105 G106 L124 C133 V134 I136 L152 I155 L156	W88-M126 HydrophobicContact CH2-CE 3.82Å; W88-M126 HydrophobicContact CZ3-CE 3.8Å; L95-M126 HydrophobicContact CD2-CE 3.97Å; L105-M126 HydrophobicContact CD1-CB 4.39Å; L105-M126 HydrophobicContact CD1-CG 4.45Å; L105-M126 HydrophobicContact CD1-SD 3.95Å; L105-M126 HydrophobicContact CD2-CB 4.48Å; G106-M126 CarbonylContact O-C 3.51Å; G106-M126 VanDerWaalsContact O-CA 3.31Å; G106-M126 WeakPolarHBondContact O-CA 3.39Å; L124-M126 HydrophobicContact CD1-CG 4.35Å; L124-M126 HydrophobicContact CG-CG 4.37Å; M126-C133 WeakPolarHBondContact O-CA 3.22Å; M126-V134 PolarHBondContact N-O 3.33Å; M126-V134 PolarHBondContact O-N 3.24Å; M126-I136 HydrophobicContact CE-CD1 3.53Å; M126-L152 HydrophobicContact CE-CD1 3.7Å; M126-L152 HydrophobicContact SD-CD1 4.31Å; M126-I155 HydrophobicContact SD-CG2 4.4Å; M126-L156 HydrophobicContact SD-CD2 4.08Å
127	A	98.3	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.7	177.8	0	0	0	0	0	111.6	L105 G106 L132 C133 A247 Q248 V251	L105-A127 CarbonylContact C-O 3.49Å; L105-A127 VanDerWaalsContact CA-O 3.27Å; L105-A127 WeakPolarHBondContact CA-O 3.16Å; G106-A127 PolarHBondContact N-O 3.42Å; G106-A127 PolarHBondContact O-N 2.85Å; A127-L132 CarbonylContact C-O 3.58Å; A127-L132 VanDerWaalsContact CA-O 3.31Å; A127-L132 WeakPolarHBondContact CA-O 3.48Å; A127-C133 HydrophobicContact CB-CB 4.29Å; A127-A247 VanDerWaalsContact CB-C 3.44Å; A127-A247 HydrophobicContact CB-CB 3.71Å; A127-Q248 HydrophobicContact CB-CB 4.5Å; A127-Q248 HydrophobicContact CB-CG 4.04Å; A127-V251 HydrophobicContact CB-CG1 4.07Å
128	S	96.4	Very high	95.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.078	C	C	.	.			trans	-83.1	171.2	177.9	85.5	0	0	0	0	112.5	E98 S130 G131 L132 V251	E98-S128 WeakPolarHBondContact OE2-CB 3.43Å; E98-S128 PolarHBondContact OE2-OG 3.4Å; S128-S130 PolarHBondContact O-N 3.15Å; S128-S130 VanDerWaalsContact O-N 3.16Å; S128-S130 PolarHBondContact OG-N 2.97Å; S128-S130 PolarHBondContact OG-OG 2.96Å; S128-G131 PolarHBondContact O-N 2.75Å; S128-L132 PolarHBondContact N-O 3.16Å; S128-V251 WeakPolarHBondContact O-CG1 3.25Å
129	P	92	Very high	96.1	Very high	18 Å²	18	10.4 Å²	10.4	12%	0.117	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.9	175.5	-22	33.9	0	0	0	114.9	F102 V104 G131 L255	F102-P129 HydrophobicContact CB-CB 4.35Å; F102-P129 HydrophobicContact CB-CG 3.83Å; F102-P129 WeakPolarHBondContact O-CG 3.11Å; V104-P129 HydrophobicContact CG1-CG 3.98Å; V104-P129 WeakPolarHBondContact O-CD 3.16Å; P129-G131 VanDerWaalsContact C-N 3.28Å; P129-L255 HydrophobicContact CB-CD1 4.28Å
130	S	91.3	Very high	96.4	Very high	55 Å²	55	13 Å²	13	39%	0.385	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.6	174.5	76.8	0	0	0	0	113	E98 S128 L132	E98-S130 VanDerWaalsContact OE1-CB 3.24Å; E98-S130 WeakPolarHBondContact OE1-CB 3.35Å; E98-S130 PolarHBondContact OE1-OG 3.13Å; E98-S130 PolarHBondContact OE2-OG 3.33Å; S128-S130 PolarHBondContact O-N 3.15Å; S128-S130 VanDerWaalsContact O-N 3.16Å; S128-S130 PolarHBondContact OG-N 2.97Å; S128-S130 PolarHBondContact OG-OG 2.96Å; S130-L132 WeakPolarHBondContact OG-CB 3.29Å; S130-L132 PolarHBondContact OG-N 2.75Å; S130-L132 VanDerWaalsContact OG-N 3.15Å
131	G	91.4	Very high	96.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.			trans	90.7	-4.4	-169.1	0	0	0	0	0	114.6	A77 S128 P129 C133 Q248	A77-G131 WeakPolarHBondContact CB-O 3.19Å; S128-G131 PolarHBondContact O-N 2.75Å; P129-G131 VanDerWaalsContact C-N 3.28Å; G131-C133 PolarHBondContact O-N 2.85Å; G131-C133 VanDerWaalsContact O-N 3.1Å; G131-Q248 PolarHBondContact O-NE2 2.67Å
132	L	96.2	Very high	96.5	Very high	7 Å²	7	12.5 Å²	12.5	4%	0.037	7%	0.07	C	C	.	.			trans	-52.8	120.4	169.3	172.4	65.7	0	0	0	109	K78 V80 I91 L94 E98 A127 S128 S130	K78-L132 HydrophobicContact CB-CD1 4.11Å; K78-L132 WeakPolarHBondContact O-CA 3.08Å; K78-L132 WeakPolarHBondContact O-CD1 3.44Å; V80-L132 HydrophobicContact CG2-CD1 4.02Å; I91-L132 HydrophobicContact CD1-CD2 4.36Å; L94-L132 HydrophobicContact CD2-CD2 3.91Å; L94-L132 HydrophobicContact CG-CD2 3.98Å; E98-L132 VanDerWaalsContact OE2-CB 3.3Å; E98-L132 WeakPolarHBondContact OE2-CB 3.41Å; E98-L132 VanDerWaalsContact OE2-CD2 3.26Å; E98-L132 WeakPolarHBondContact OE2-CD2 3.22Å; A127-L132 CarbonylContact C-O 3.58Å; A127-L132 VanDerWaalsContact CA-O 3.31Å; A127-L132 WeakPolarHBondContact CA-O 3.48Å; S128-L132 PolarHBondContact N-O 3.16Å; S130-L132 WeakPolarHBondContact OG-CB 3.29Å; S130-L132 PolarHBondContact OG-N 2.75Å; S130-L132 VanDerWaalsContact OG-N 3.15Å
133	C	98.4	Very high	96.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	178.4	-166.7	0	0	0	0	111.1	K78 V79 V80 M126 A127 G131 A244 Q248	K78-C133 PolarHBondContact O-N 3.28Å; V79-C133 CarbonylContact C-O 3.59Å; V79-C133 WeakPolarHBondContact CA-O 3.37Å; V79-C133 HydrophobicContact CG2-CB 4.41Å; V80-C133 PolarHBondContact N-O 2.8Å; M126-C133 WeakPolarHBondContact O-CA 3.22Å; A127-C133 HydrophobicContact CB-CB 4.29Å; G131-C133 PolarHBondContact O-N 2.85Å; G131-C133 VanDerWaalsContact O-N 3.1Å; C133-A244 HydrophobicContact CB-CB 4.01Å; C133-Q248 HydrophobicContact CB-CG 4.09Å
134	V	98.6	Very high	95.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.5	175.9	-171.7	0	0	0	0	108.9	V80 V82 W88 I91 L95 M126 I136	V80-V134 CarbonylContact O-C 3.49Å; V80-V134 WeakPolarHBondContact O-CA 3.36Å; V82-V134 HydrophobicContact CB-CG1 4.5Å; V82-V134 HydrophobicContact CG2-CG1 3.67Å; W88-V134 HydrophobicContact CZ3-CG1 4.35Å; I91-V134 HydrophobicContact CG1-CG2 3.96Å; I91-V134 HydrophobicContact CG2-CG1 4.13Å; I91-V134 HydrophobicContact CG2-CG2 4.5Å; L95-V134 HydrophobicContact CD1-CG2 4.38Å; L95-V134 HydrophobicContact CD2-CG2 4.28Å; M126-V134 PolarHBondContact N-O 3.33Å; M126-V134 PolarHBondContact O-N 3.24Å; V134-I136 HydrophobicContact CG1-CD1 4.47Å; V134-I136 HydrophobicContact CG1-CG1 3.92Å
135	L	98.6	Very high	95.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	101.7	179.1	-52.7	-177.4	0	0	0	109.3	V79 V80 T81 V82 L123 Q125 V240 A243 A244	V79-L135 HydrophobicContact CG1-CD1 3.6Å; V79-L135 HydrophobicContact CG1-CD2 4.48Å; V79-L135 HydrophobicContact CG1-CG 3.78Å; V80-L135 PolarHBondContact O-N 3.11Å; T81-L135 WeakPolarHBondContact CA-O 3.26Å; V82-L135 PolarHBondContact N-O 3.07Å; L123-L135 HydrophobicContact CD1-CB 4.16Å; L123-L135 HydrophobicContact CD2-CB 4.34Å; L123-L135 HydrophobicContact CD2-CD2 4.45Å; L123-L135 HydrophobicContact CG-CB 4.42Å; Q125-L135 HydrophobicContact CB-CD2 4.03Å; Q125-L135 HydrophobicContact CG-CD2 3.47Å; Q125-L135 VanDerWaalsContact CG-CD2 3.47Å; L135-V240 HydrophobicContact CD1-CB 4.23Å; L135-V240 HydrophobicContact CD1-CG1 3.84Å; L135-V240 HydrophobicContact CD1-CG2 4.35Å; L135-A243 HydrophobicContact CD2-CB 4.27Å; L135-A244 HydrophobicContact CD2-CB 4.27Å
136	I	98.6	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.4	-174.3	-55	-178.7	0	0	0	110.1	V82 W88 L123 L124 M126 V134 L138 L141 L152	V82-I136 HydrophobicContact CB-CG1 4.39Å; W88-I136 HydrophobicContact CE3-CD1 3.72Å; W88-I136 HydrophobicContact CE3-CG1 4.43Å; W88-I136 HydrophobicContact CH2-CD1 4.36Å; W88-I136 HydrophobicContact CZ3-CD1 3.53Å; W88-I136 HydrophobicContact CZ3-CG1 4.47Å; L123-I136 WeakPolarHBondContact CA-O 3.42Å; L124-I136 HydrophobicContact CB-CB 4.37Å; L124-I136 HydrophobicContact CD2-CD1 4.42Å; L124-I136 PolarHBondContact N-O 3.16Å; L124-I136 PolarHBondContact O-N 2.95Å; M126-I136 HydrophobicContact CE-CD1 3.53Å; V134-I136 HydrophobicContact CG1-CD1 4.47Å; V134-I136 HydrophobicContact CG1-CG1 3.92Å; I136-L138 VanDerWaalsContact C-N 3.32Å; I136-L138 HydrophobicContact CG2-CD2 3.94Å; I136-L138 PolarHBondContact O-N 3.26Å; I136-L141 HydrophobicContact CG2-CD1 3.75Å; I136-L141 HydrophobicContact CG2-CD2 4.19Å; I136-L152 HydrophobicContact CD1-CD1 3.52Å; I136-L152 HydrophobicContact CD1-CD2 3.98Å; I136-L152 HydrophobicContact CD1-CG 4.38Å; I136-L152 HydrophobicContact CG2-CD2 4.33Å
137	R	97.8	Very high	94.5	Very high	8 Å²	8	29.8 Å²	29.8	3%	0.03	19%	0.193	C	C	.	.			trans	-81.5	74.4	178.7	-53.1	-154.4	70.3	-161.1	-0.3	110.7	T81 V82 S83 L123 P139 K140 L141 W230 A232 E233	T81-R137 HydrophobicContact CG2-CG 3.91Å; V82-R137 PolarHBondContact O-N 3.45Å; S83-R137 WeakPolarHBondContact OG-CD 3.23Å; L123-R137 HydrophobicContact CD1-CG 3.82Å; R137-P139 VanDerWaalsContact C-N 3.32Å; R137-P139 VanDerWaalsContact O-N 3.08Å; R137-K140 HydrophobicContact CB-CB 4.08Å; R137-K140 HydrophobicContact CB-CG 3.93Å; R137-K140 WeakPolarHBondContact O-CB 3.37Å; R137-K140 PolarHBondContact O-N 3.08Å; R137-L141 VanDerWaalsContact O-CD1 3.23Å; R137-L141 WeakPolarHBondContact O-CD1 3.32Å; R137-L141 PolarHBondContact O-N 2.88Å; R137-W230 PolarHBondContact NH2-O 3.16Å; R137-A232 PolarHBondContact NH1-O 3.41Å; R137-A232 PolarHBondContact NH2-O 3.16Å; R137-E233 PolarHBondContact NH1-O 3.23Å
138	L	97.1	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-44.4	-43.5	-172	-62.5	172.7	0	0	0	115.1	L121 L124 I136 K140 L141 I142 L148 L175 Y179	L121-L138 HydrophobicContact CB-CD1 3.88Å; L121-L138 HydrophobicContact CD1-CD1 4.4Å; L124-L138 HydrophobicContact CB-CD1 3.94Å; L124-L138 HydrophobicContact CB-CD2 4.29Å; L124-L138 HydrophobicContact CB-CG 4.07Å; L124-L138 HydrophobicContact CD2-CD2 4.34Å; I136-L138 VanDerWaalsContact C-N 3.32Å; I136-L138 HydrophobicContact CG2-CD2 3.94Å; I136-L138 PolarHBondContact O-N 3.26Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 2.87Å; L138-L141 PolarHBondContact O-N 3.04Å; L138-I142 PolarHBondContact O-N 2.89Å; L138-L148 HydrophobicContact CD2-CD1 4.11Å; L138-L148 HydrophobicContact CD2-CD2 4.09Å; L138-L175 HydrophobicContact CD1-CD2 3.82Å; L138-Y179 HydrophobicContact CB-CD1 4.36Å; L138-Y179 HydrophobicContact CB-CE1 3.76Å; L138-Y179 HydrophobicContact CB-CE2 4.06Å; L138-Y179 HydrophobicContact CD1-CD2 3.95Å; L138-Y179 HydrophobicContact CD1-CE2 3.93Å; L138-Y179 HydrophobicContact CD1-CG 4.46Å
139	P	95.4	Very high	94.5	Very high	43 Å²	43	29.9 Å²	29.9	28%	0.279	19%	0.194	S	C	.	.	H	α-helix	trans	-64.3	-32.4	177.7	-19.2	31.4	0	0	0	113.8	L121 S122 R137 C143	L121-P139 WeakPolarHBondContact O-CD 3.19Å; L121-P139 WeakPolarHBondContact O-CG 3.48Å; S122-P139 VanDerWaalsContact O-CD 3.28Å; S122-P139 WeakPolarHBondContact O-CD 3.3Å; R137-P139 VanDerWaalsContact C-N 3.32Å; R137-P139 VanDerWaalsContact O-N 3.08Å; P139-C143 PolarHBondContact O-N 3.42Å
140	K	95.7	Very high	94.6	Very high	63 Å²	63	31.5 Å²	31.5	27%	0.274	20%	0.197	S	C	.	.	H	α-helix	trans	-71.6	-39.3	-179.2	-63.5	-71.8	-176.4	173.3	0	111.2	S83 R137 L138 I142 C143 E233	S83-K140 CarbonylContact O-C 3.53Å; S83-K140 WeakPolarHBondContact O-CB 3.43Å; R137-K140 HydrophobicContact CB-CB 4.08Å; R137-K140 HydrophobicContact CB-CG 3.93Å; R137-K140 WeakPolarHBondContact O-CB 3.37Å; R137-K140 PolarHBondContact O-N 3.08Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 2.87Å; K140-I142 PolarHBondContact O-N 3.04Å; K140-C143 VanDerWaalsContact O-CB 3.26Å; K140-C143 WeakPolarHBondContact O-CB 3.43Å; K140-C143 PolarHBondContact O-N 3.27Å; K140-E233 IonicContact NZ-OE1 3.96Å; K140-E233 PolarHBondContact NZ-OE1 3.46Å; K140-E233 IonicContact NZ-OE2 2.68Å; K140-E233 PolarHBondContact NZ-OE2 2.83Å
141	L	95.9	Very high	94.8	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-34.6	178.2	-75.4	86.4	0	0	0	113.1	V82 I136 R137 L138 K146 L148 P149	V82-L141 HydrophobicContact CG1-CD1 4.43Å; V82-L141 HydrophobicContact CG1-CD2 4.4Å; I136-L141 HydrophobicContact CG2-CD1 3.75Å; I136-L141 HydrophobicContact CG2-CD2 4.19Å; R137-L141 VanDerWaalsContact O-CD1 3.23Å; R137-L141 WeakPolarHBondContact O-CD1 3.32Å; R137-L141 PolarHBondContact O-N 2.88Å; L138-L141 PolarHBondContact O-N 3.04Å; L141-K146 WeakPolarHBondContact O-CB 3.39Å; L141-L148 HydrophobicContact CB-CD2 3.73Å; L141-L148 HydrophobicContact CD2-CD2 4.28Å; L141-P149 HydrophobicContact CD2-CG 3.95Å
142	I	94	Very high	95.1	Very high	58 Å²	58	30.8 Å²	30.8	30%	0.297	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.1	178.6	66.6	161	0	0	0	114.2	L138 K140 G145 K146 L148 Y179	L138-I142 PolarHBondContact O-N 2.89Å; K140-I142 PolarHBondContact O-N 3.04Å; I142-G145 PolarHBondContact O-N 3.17Å; I142-K146 WeakPolarHBondContact CA-O 3.44Å; I142-K146 WeakPolarHBondContact CB-O 3.46Å; I142-K146 PolarHBondContact O-N 3.44Å; I142-L148 HydrophobicContact CG2-CD2 3.77Å; I142-L148 HydrophobicContact CG2-CG 3.71Å; I142-Y179 HydrophobicContact CD1-CD1 4.29Å; I142-Y179 HydrophobicContact CD1-CE1 3.64Å; I142-Y179 HydrophobicContact CG1-CE1 4.21Å; I142-Y179 HydrophobicContact CG2-CE1 4.5Å
143	C	91.4	Very high	95.2	Very high	88 Å²	88	30.8 Å²	30.8	60%	0.595	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	143.2	-178.7	-169.6	0	0	0	0	111.5	P139 K140 G145 K146	P139-C143 PolarHBondContact O-N 3.42Å; K140-C143 VanDerWaalsContact O-CB 3.26Å; K140-C143 WeakPolarHBondContact O-CB 3.43Å; K140-C143 PolarHBondContact O-N 3.27Å; C143-G145 VanDerWaalsContact C-N 3.3Å; C143-G145 PolarHBondContact O-N 2.72Å; C143-K146 WeakPolarHBondContact O-CG 3.13Å
144	G	87.3	Confident	95	Very high	83 Å²	83	33.2 Å²	33.2	86%	0.856	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	12.5	-175.6	0	0	0	0	0	115
145	G	85.3	Confident	94.9	Very high	39 Å²	39	33.4 Å²	33.4	40%	0.402	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	34	-177.6	0	0	0	0	0	112.8	I142 C143 H471	I142-G145 PolarHBondContact O-N 3.17Å; C143-G145 VanDerWaalsContact C-N 3.3Å; C143-G145 PolarHBondContact O-N 2.72Å; G145-H471 PolarHBondContact O-CE1 3.27Å; G145-H471 PolarHBondContact O-NE2 3.24Å
146	K	91.8	Very high	94.8	Very high	119 Å²	119	33.5 Å²	33.5	52%	0.517	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-86.3	157.2	171.2	-69.9	-176.1	178	-168.6	0	110.9	L141 I142 C143	L141-K146 WeakPolarHBondContact O-CB 3.39Å; I142-K146 WeakPolarHBondContact CA-O 3.44Å; I142-K146 WeakPolarHBondContact CB-O 3.46Å; I142-K146 PolarHBondContact O-N 3.44Å; C143-K146 WeakPolarHBondContact O-CG 3.13Å
147	T	94.1	Very high	94.6	Very high	38 Å²	38	33.6 Å²	33.6	23%	0.233	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-97.9	158.1	170.6	50.4	0	0	0	0	111.3	Y467 Y468 H471	T147-Y467 HydrophobicContact CG2-CE1 4.31Å; T147-Y468 HydrophobicContact CG2-CD1 3.98Å; T147-Y468 HydrophobicContact CG2-CE1 4.21Å; T147-H471 HydrophobicContact CG2-CB 3.7Å; T147-H471 WeakPolarHBondContact CG2-ND1 3.37Å
148	L	96.9	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.9	148.5	173.7	-69.1	172.4	0	0	0	111.8	L138 L141 I142 L153 Y179 L181 Y467 Y468	L138-L148 HydrophobicContact CD2-CD1 4.11Å; L138-L148 HydrophobicContact CD2-CD2 4.09Å; L141-L148 HydrophobicContact CB-CD2 3.73Å; L141-L148 HydrophobicContact CD2-CD2 4.28Å; I142-L148 HydrophobicContact CG2-CD2 3.77Å; I142-L148 HydrophobicContact CG2-CG 3.71Å; L148-L153 HydrophobicContact CB-CD1 3.7Å; L148-Y179 HydrophobicContact CD1-CD1 3.99Å; L148-Y179 HydrophobicContact CD1-CG 4.41Å; L148-L181 HydrophobicContact CD1-CD1 3.79Å; L148-L181 HydrophobicContact CD1-CD2 3.9Å; L148-L181 HydrophobicContact CD1-CG 4.12Å; L148-Y467 HydrophobicContact CB-CE1 4.4Å; L148-Y467 WeakPolarHBondContact CB-OH 3.5Å; L148-Y467 PolarHBondContact N-OH 3.48Å; L148-Y468 PolarHBondContact O-OH 2.96Å
149	P	96.4	Very high	94	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.013	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-62.1	140.9	-175.8	-24.5	35	0	0	0	112.7	E85 W88 L141 T151 L152 L153	E85-P149 HydrophobicContact CB-CG 4.33Å; E85-P149 HydrophobicContact CG-CB 4.49Å; E85-P149 HydrophobicContact CG-CG 3.95Å; W88-P149 HydrophobicContact CB-CG 4.29Å; W88-P149 HydrophobicContact CG-CB 4.16Å; W88-P149 HydrophobicContact CG-CG 3.99Å; L141-P149 HydrophobicContact CD2-CG 3.95Å; P149-T151 VanDerWaalsContact C-N 3.3Å; P149-T151 PolarHBondContact O-N 3.31Å; P149-L152 WeakPolarHBondContact O-CB 3.33Å; P149-L152 PolarHBondContact O-N 3.45Å; P149-L153 WeakPolarHBondContact O-CD1 3.39Å; P149-L153 PolarHBondContact O-N 3.44Å
150	R	94	Very high	93.8	Very high	51 Å²	51	39.3 Å²	39.3	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-36.1	-175.5	-175.8	-174.6	169.3	-178.3	3.3	113.3	L153 N154 V421 Y468 S588 M589 Q590	R150-L153 WeakPolarHBondContact O-CB 3.43Å; R150-L153 PolarHBondContact O-N 2.84Å; R150-N154 VanDerWaalsContact O-CG 3.22Å; R150-N154 PolarHBondContact O-N 2.97Å; R150-N154 PolarHBondContact O-ND2 3.45Å; R150-V421 VanDerWaalsContact NH2-CG1 3.28Å; R150-Y468 WeakPolarHBondContact CA-OH 3.44Å; R150-Y468 WeakPolarHBondContact CB-OH 3.22Å; R150-Y468 HydrophobicContact CG-CE2 4.47Å; R150-Y468 PolarHBondContact N-OH 3.33Å; R150-S588 WeakPolarHBondContact CD-O 3.12Å; R150-M589 PolarHBondContact NH1-O 3.05Å; R150-M589 PolarHBondContact NH2-O 3.29Å; R150-Q590 VanDerWaalsContact NH1-CB 3.3Å
151	T	96.4	Very high	93.8	Very high	40 Å²	40	37.1 Å²	37.1	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-34.3	179.6	43.4	0	0	0	0	112	W88 P149 N154 I155	W88-T151 PolarHBondContact NE1-OG1 2.99Å; P149-T151 VanDerWaalsContact C-N 3.3Å; P149-T151 PolarHBondContact O-N 3.31Å; T151-N154 WeakPolarHBondContact O-CB 3.3Å; T151-N154 PolarHBondContact O-N 3.07Å; T151-I155 WeakPolarHBondContact O-CG1 3.4Å; T151-I155 PolarHBondContact O-N 3Å
152	L	98.1	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-48.3	168.8	176.1	60	0	0	0	111.3	W88 L124 M126 I136 P149 N154 I155 L156	W88-L152 HydrophobicContact CD2-CB 4.4Å; W88-L152 HydrophobicContact CH2-CB 4.25Å; W88-L152 HydrophobicContact CH2-CD1 3.92Å; W88-L152 VanDerWaalsContact CZ2-CA 3.44Å; W88-L152 HydrophobicContact CZ2-CB 3.65Å; W88-L152 HydrophobicContact CZ2-CD1 4.19Å; W88-L152 HydrophobicContact CZ3-CD1 4.27Å; L124-L152 HydrophobicContact CD2-CD1 4.29Å; M126-L152 HydrophobicContact CE-CD1 3.7Å; M126-L152 HydrophobicContact SD-CD1 4.31Å; I136-L152 HydrophobicContact CD1-CD1 3.52Å; I136-L152 HydrophobicContact CD1-CD2 3.98Å; I136-L152 HydrophobicContact CD1-CG 4.38Å; I136-L152 HydrophobicContact CG2-CD2 4.33Å; P149-L152 WeakPolarHBondContact O-CB 3.33Å; P149-L152 PolarHBondContact O-N 3.45Å; L152-N154 VanDerWaalsContact C-N 3.31Å; L152-N154 PolarHBondContact O-N 3.34Å; L152-I155 PolarHBondContact O-N 3.09Å; L152-L156 HydrophobicContact CD1-CD1 4.06Å; L152-L156 HydrophobicContact CD1-CG 4.25Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.25Å
153	L	96.9	Very high	94.2	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-39.4	176.5	-90.7	76.9	0	0	0	112.5	L148 P149 R150 A157 L181 I464 Y467 Y468	L148-L153 HydrophobicContact CB-CD1 3.7Å; P149-L153 WeakPolarHBondContact O-CD1 3.39Å; P149-L153 PolarHBondContact O-N 3.44Å; R150-L153 WeakPolarHBondContact O-CB 3.43Å; R150-L153 PolarHBondContact O-N 2.84Å; L153-A157 WeakPolarHBondContact O-CB 3.47Å; L153-A157 PolarHBondContact O-N 2.97Å; L153-L181 HydrophobicContact CD1-CD2 3.57Å; L153-L181 HydrophobicContact CD2-CD2 4.38Å; L153-L181 HydrophobicContact CG-CD2 3.67Å; L153-I464 HydrophobicContact CB-CD1 4.23Å; L153-I464 HydrophobicContact CB-CG1 4.15Å; L153-I464 HydrophobicContact CB-CG2 4.38Å; L153-I464 HydrophobicContact CD2-CB 4.47Å; L153-I464 HydrophobicContact CD2-CG1 4.42Å; L153-I464 HydrophobicContact CD2-CG2 4Å; L153-Y467 HydrophobicContact CD1-CE1 4.32Å; L153-Y467 HydrophobicContact CD2-CD1 3.35Å; L153-Y467 HydrophobicContact CD2-CE1 3.95Å; L153-Y467 HydrophobicContact CD2-CG 3.73Å; L153-Y468 HydrophobicContact CD2-CE2 4.18Å
154	N	93.9	Very high	94.5	Very high	51 Å²	51	30 Å²	30	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-48.2	175.5	-69.8	-34.4	0	0	0	111.2	R150 T151 L152 A157 D158 I464	R150-N154 VanDerWaalsContact O-CG 3.22Å; R150-N154 PolarHBondContact O-N 2.97Å; R150-N154 PolarHBondContact O-ND2 3.45Å; T151-N154 WeakPolarHBondContact O-CB 3.3Å; T151-N154 PolarHBondContact O-N 3.07Å; L152-N154 VanDerWaalsContact C-N 3.31Å; L152-N154 PolarHBondContact O-N 3.34Å; N154-A157 PolarHBondContact O-N 2.82Å; N154-D158 WeakPolarHBondContact O-CB 3.31Å; N154-D158 PolarHBondContact O-N 3.28Å; N154-I464 WeakPolarHBondContact OD1-CD1 3.16Å
155	I	96.8	Very high	95	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-47.8	-179.6	-72.2	170.9	0	0	0	110.9	W88 E92 L95 L105 M126 T151 L152 I161 K163	W88-I155 HydrophobicContact CH2-CD1 3.98Å; W88-I155 HydrophobicContact CZ2-CD1 4.01Å; E92-I155 HydrophobicContact CG-CD1 3.96Å; L95-I155 HydrophobicContact CD2-CD1 4.43Å; L105-I155 HydrophobicContact CD1-CG2 3.64Å; M126-I155 HydrophobicContact SD-CG2 4.4Å; T151-I155 WeakPolarHBondContact O-CG1 3.4Å; T151-I155 PolarHBondContact O-N 3Å; L152-I155 PolarHBondContact O-N 3.09Å; I155-I161 HydrophobicContact CG2-CD1 4.45Å; I155-K163 VanDerWaalsContact O-CE 3.22Å; I155-K163 WeakPolarHBondContact O-CE 3.44Å; I155-K163 PolarHBondContact O-NZ 2.95Å
156	L	97.3	Very high	95.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-42.4	179.8	-67.4	174.9	0	0	0	112.3	I107 L124 M126 L152 K163 L181 V182 V183 R184	I107-L156 HydrophobicContact CD1-CD2 4.15Å; L124-L156 HydrophobicContact CD2-CD1 4.13Å; L124-L156 HydrophobicContact CD2-CD2 4.42Å; M126-L156 HydrophobicContact SD-CD2 4.08Å; L152-L156 HydrophobicContact CD1-CD1 4.06Å; L152-L156 HydrophobicContact CD1-CG 4.25Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.25Å; L156-K163 PolarHBondContact O-NZ 3.34Å; L156-L181 HydrophobicContact CD1-CB 4.47Å; L156-L181 HydrophobicContact CD1-CD1 3.97Å; L156-L181 HydrophobicContact CD1-CD2 4.35Å; L156-V182 CarbonylContact C-O 3.56Å; L156-V183 HydrophobicContact CB-CG2 4.49Å; L156-V183 HydrophobicContact CD2-CG1 4.46Å; L156-V183 HydrophobicContact CD2-CG2 4.49Å; L156-V183 WeakPolarHBondContact O-CA 3.42Å; L156-R184 PolarHBondContact O-N 2.74Å
157	A	93.9	Very high	95.6	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-84	-4.7	-176.1	0	0	0	0	0	115.3	L153 N154 V182 S460 I464	L153-A157 WeakPolarHBondContact O-CB 3.47Å; L153-A157 PolarHBondContact O-N 2.97Å; N154-A157 PolarHBondContact O-N 2.82Å; A157-V182 VanDerWaalsContact CA-O 3.27Å; A157-V182 WeakPolarHBondContact CA-O 3.45Å; A157-V182 WeakPolarHBondContact CB-O 3.34Å; A157-V182 PolarHBondContact N-O 3.22Å; A157-S460 PolarHBondContact O-OG 2.89Å; A157-I464 HydrophobicContact CB-CD1 4.39Å; A157-I464 HydrophobicContact CB-CG1 4.43Å
158	D	92.1	Very high	95.6	Very high	46 Å²	46	19.1 Å²	19.1	25%	0.246	12%	0.116	C	C	.	.			trans	-86.2	113.3	175.3	-156.3	-8.1	0	0	0	111.7	N154 T160 I161 K163	N154-D158 WeakPolarHBondContact O-CB 3.31Å; N154-D158 PolarHBondContact O-N 3.28Å; D158-T160 VanDerWaalsContact CG-OG1 3.25Å; D158-T160 PolarHBondContact O-N 3.34Å; D158-T160 PolarHBondContact OD1-N 3.48Å; D158-T160 PolarHBondContact OD1-OG1 3.44Å; D158-T160 PolarHBondContact OD2-OG1 3.34Å; D158-I161 HydrophobicContact CB-CD1 4.32Å; D158-I161 PolarHBondContact O-N 2.91Å; D158-K163 PolarHBondContact O-NZ 2.68Å
159	G	90.9	Very high	95.4	Very high	37 Å²	37	19.7 Å²	19.7	38%	0.381	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.7	-178.6	0	0	0	0	0	114.5	I161	G159-I161 VanDerWaalsContact C-N 3.34Å
160	T	91.3	Very high	95.3	Very high	88 Å²	88	24 Å²	24	54%	0.54	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.5	171.5	60.1	0	0	0	0	112.6	D158	D158-T160 VanDerWaalsContact CG-OG1 3.25Å; D158-T160 PolarHBondContact O-N 3.34Å; D158-T160 PolarHBondContact OD1-N 3.48Å; D158-T160 PolarHBondContact OD1-OG1 3.44Å; D158-T160 PolarHBondContact OD2-OG1 3.34Å
161	I	96.1	Very high	95.4	Very high	16 Å²	16	22.3 Å²	22.3	8%	0.082	14%	0.135	C	C	.	.	S	Bend	trans	-93.5	114.3	172	-56.5	168.4	0	0	0	107.7	L99 P103 L105 I155 D158 G159 K163	L99-I161 HydrophobicContact CD1-CD1 4.33Å; L99-I161 HydrophobicContact CD1-CG2 4.33Å; L99-I161 HydrophobicContact CD2-CG2 4.29Å; P103-I161 HydrophobicContact CB-CG1 4.13Å; P103-I161 CarbonylContact O-C 3.28Å; P103-I161 WeakPolarHBondContact O-CA 3.1Å; L105-I161 HydrophobicContact CD1-CG2 4.24Å; L105-I161 HydrophobicContact CG-CG2 4.24Å; I155-I161 HydrophobicContact CG2-CD1 4.45Å; D158-I161 HydrophobicContact CB-CD1 4.32Å; D158-I161 PolarHBondContact O-N 2.91Å; G159-I161 VanDerWaalsContact C-N 3.34Å; I161-K163 HydrophobicContact CG2-CD 4.37Å; I161-K163 WeakPolarHBondContact O-CD 3.48Å; I161-K163 PolarHBondContact O-NZ 3.16Å
162	L	97.8	Very high	95.4	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	140.8	177.5	-64.1	179.3	0	0	0	111	P103 V104 L105 V164 G185 L187 F254 W276 L280 V287	P103-L162 PolarHBondContact O-N 2.98Å; V104-L162 CarbonylContact C-O 3.41Å; V104-L162 WeakPolarHBondContact CA-O 3.26Å; V104-L162 HydrophobicContact CB-CB 4.2Å; V104-L162 HydrophobicContact CG2-CB 4Å; L105-L162 PolarHBondContact N-O 3.31Å; L162-V164 HydrophobicContact CB-CG1 4.38Å; L162-G185 CarbonylContact C-O 3.48Å; L162-G185 WeakPolarHBondContact CA-O 3.38Å; L162-L187 HydrophobicContact CD1-CD2 4.35Å; L162-F254 HydrophobicContact CD1-CE2 4.04Å; L162-F254 HydrophobicContact CD1-CZ 3.66Å; L162-W276 HydrophobicContact CD1-CH2 4.08Å; L162-W276 HydrophobicContact CD1-CZ2 3.99Å; L162-W276 HydrophobicContact CG-CZ2 4.38Å; L162-L280 HydrophobicContact CD1-CD2 4.31Å; L162-V287 HydrophobicContact CD2-CG1 4.14Å; L162-V287 HydrophobicContact CD2-CG2 3.9Å
163	K	98.6	Very high	95.3	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	103.7	176.9	-79.7	65.8	160.8	-157.6	0	108	L105 I107 I155 L156 D158 I161 V183 R184 G185 C186 L187	L105-K163 CarbonylContact O-C 3.53Å; L105-K163 VanDerWaalsContact O-CA 3.32Å; L105-K163 WeakPolarHBondContact O-CA 3.33Å; I107-K163 HydrophobicContact CB-CB 4.31Å; I107-K163 HydrophobicContact CD1-CB 4.43Å; I107-K163 HydrophobicContact CD1-CG 4.08Å; I107-K163 HydrophobicContact CG2-CB 3.89Å; I155-K163 VanDerWaalsContact O-CE 3.22Å; I155-K163 WeakPolarHBondContact O-CE 3.44Å; I155-K163 PolarHBondContact O-NZ 2.95Å; L156-K163 PolarHBondContact O-NZ 3.34Å; D158-K163 PolarHBondContact O-NZ 2.68Å; I161-K163 HydrophobicContact CG2-CD 4.37Å; I161-K163 WeakPolarHBondContact O-CD 3.48Å; I161-K163 PolarHBondContact O-NZ 3.16Å; K163-V183 HydrophobicContact CG-CG1 4.13Å; K163-R184 WeakPolarHBondContact CD-O 3.46Å; K163-R184 PolarHBondContact NZ-O 3.03Å; K163-G185 PolarHBondContact N-O 3.18Å; K163-C186 CarbonylContact O-C 3.54Å; K163-C186 VanDerWaalsContact O-CA 3.3Å; K163-C186 WeakPolarHBondContact O-CA 3.42Å; K163-L187 PolarHBondContact O-N 3.39Å
164	V	98.3	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.3	-167.9	-61.4	0	0	0	0	111.9	V104 L105 G106 I107 L162 L187 L189 V251 F254	V104-V164 HydrophobicContact CG2-CB 4.35Å; V104-V164 HydrophobicContact CG2-CG1 3.65Å; V104-V164 HydrophobicContact CG2-CG2 3.75Å; L105-V164 WeakPolarHBondContact O-CG2 3.18Å; L105-V164 PolarHBondContact O-N 2.82Å; G106-V164 CarbonylContact C-O 3.43Å; G106-V164 WeakPolarHBondContact CA-O 2.77Å; I107-V164 PolarHBondContact N-O 2.87Å; L162-V164 HydrophobicContact CB-CG1 4.38Å; V164-L187 WeakPolarHBondContact CA-O 3.45Å; V164-L187 HydrophobicContact CG1-CB 4.16Å; V164-L187 HydrophobicContact CG1-CD2 4.27Å; V164-L189 HydrophobicContact CB-CD2 4.02Å; V164-L189 HydrophobicContact CB-CG 4.45Å; V164-V251 HydrophobicContact CG2-CB 4.46Å; V164-F254 HydrophobicContact CB-CB 4.28Å; V164-F254 HydrophobicContact CB-CD2 4.42Å; V164-F254 HydrophobicContact CB-CG 4.47Å; V164-F254 HydrophobicContact CG1-CB 4.22Å; V164-F254 HydrophobicContact CG1-CD2 3.55Å; V164-F254 HydrophobicContact CG1-CE2 4Å; V164-F254 HydrophobicContact CG1-CG 3.88Å; V164-F254 HydrophobicContact CG2-CB 3.92Å; V164-F254 HydrophobicContact CG2-CG 4.33Å
165	G	97.5	Very high	95.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-173.7	178.4	0	0	0	0	0	111.8	L187 D188 L189	G165-L187 PolarHBondContact N-O 3.02Å; G165-D188 WeakPolarHBondContact O-CA 3.27Å; G165-L189 WeakPolarHBondContact O-CG 3.27Å; G165-L189 PolarHBondContact O-N 3.16Å
166	V	96	Very high	95.2	Very high	37 Å²	37	23.9 Å²	23.9	22%	0.224	14%	0.143	C	C	.	.	S	Bend	trans	-114.2	104.5	172.3	173.4	0	0	0	0	108	L189 R190 L207 L210	V166-L189 HydrophobicContact CG2-CB 4.05Å; V166-L189 HydrophobicContact CG2-CD1 4.31Å; V166-R190 HydrophobicContact CG1-CG 3.98Å; V166-R190 HydrophobicContact CG2-CG 4.25Å; V166-L207 HydrophobicContact CB-CB 4.09Å; V166-L207 HydrophobicContact CB-CD1 4.4Å; V166-L207 HydrophobicContact CG2-CB 4.06Å; V166-L207 HydrophobicContact CG2-CD1 3.81Å; V166-L210 HydrophobicContact CG2-CD1 4.03Å
167	G	93.7	Very high	94.9	Very high	9 Å²	9	29.5 Å²	29.5	9%	0.093	17%	0.17	C	C	.	.	S	Bend	trans	93.7	8.7	-170.7	0	0	0	0	0	114.5	S169 E170 D171 D188	G167-S169 PolarHBondContact O-N 3Å; G167-E170 WeakPolarHBondContact CA-OE2 3.26Å; G167-E170 WeakPolarHBondContact O-CA 3.28Å; G167-E170 VanDerWaalsContact O-CB 3.27Å; G167-E170 WeakPolarHBondContact O-CB 3.15Å; G167-E170 PolarHBondContact O-N 2.76Å; G167-D171 PolarHBondContact O-N 3.09Å; G167-D188 PolarHBondContact N-OD2 3.44Å
168	C	95.1	Very high	94.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-58.2	-14.9	-178.3	62.3	0	0	0	0	115	I107 D171 A172	I107-C168 HydrophobicContact CG2-CB 3.67Å; C168-D171 WeakPolarHBondContact CA-OD2 3.28Å; C168-A172 VanDerWaalsContact O-CB 3.29Å; C168-A172 WeakPolarHBondContact O-CB 3.33Å; C168-A172 PolarHBondContact O-N 3.25Å
169	S	93.4	Very high	94.9	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-77.2	-27.6	173.9	86.6	0	0	0	0	112.6	G167 S173 P290	G167-S169 PolarHBondContact O-N 3Å; S169-S173 WeakPolarHBondContact O-CB 3.25Å; S169-S173 PolarHBondContact O-N 3.2Å; S169-S173 PolarHBondContact O-OG 3.3Å; S169-P290 WeakPolarHBondContact OG-CB 3.4Å
170	E	93.7	Very high	95	Very high	93 Å²	93	30 Å²	30	44%	0.435	17%	0.169	S	C	.	.	H	α-helix	trans	-74.5	-41.4	173.8	-62.6	88.6	129.6	0	0	109.9	G167 S173 K174 R190	G167-E170 WeakPolarHBondContact CA-OE2 3.26Å; G167-E170 WeakPolarHBondContact O-CA 3.28Å; G167-E170 VanDerWaalsContact O-CB 3.27Å; G167-E170 WeakPolarHBondContact O-CB 3.15Å; G167-E170 PolarHBondContact O-N 2.76Å; E170-S173 VanDerWaalsContact O-CB 3.31Å; E170-S173 WeakPolarHBondContact O-CB 3.29Å; E170-S173 PolarHBondContact O-N 3.18Å; E170-K174 PolarHBondContact O-N 3.47Å; E170-R190 IonicContact OE1-NH2 3.31Å
171	D	96.2	Very high	95.1	Very high	16 Å²	16	26 Å²	26	9%	0.086	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-46.4	174.5	-51.9	-48.2	0	0	0	111.5	C109 G167 C168 S173 K174 L175	C109-D171 HydrophobicContact CB-CB 4.03Å; G167-D171 PolarHBondContact O-N 3.09Å; C168-D171 WeakPolarHBondContact CA-OD2 3.28Å; D171-S173 PolarHBondContact O-N 2.86Å; D171-K174 CarbonylContact O-C 3.56Å; D171-K174 WeakPolarHBondContact O-CA 3.45Å; D171-K174 PolarHBondContact O-N 3.42Å; D171-L175 WeakPolarHBondContact O-CB 3.19Å; D171-L175 WeakPolarHBondContact O-CG 3.41Å; D171-L175 PolarHBondContact O-N 3.37Å
172	A	96.3	Very high	94.9	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-57.1	-37.2	171.1	0	0	0	0	0	112.6	C168 K174 L176 V183 L342	C168-A172 VanDerWaalsContact O-CB 3.29Å; C168-A172 WeakPolarHBondContact O-CB 3.33Å; C168-A172 PolarHBondContact O-N 3.25Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 PolarHBondContact O-N 3.35Å; A172-L176 VanDerWaalsContact O-N 3.11Å; A172-V183 HydrophobicContact CB-CB 3.9Å; A172-V183 HydrophobicContact CB-CG1 4.44Å; A172-V183 HydrophobicContact CB-CG2 4.12Å; A172-L342 HydrophobicContact CB-CD1 4.47Å
173	S	94.6	Very high	94.7	Very high	34 Å²	34	27.8 Å²	27.8	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-33.2	174.5	-63.7	0	0	0	0	112.6	S169 E170 D171 Q177	S169-S173 WeakPolarHBondContact O-CB 3.25Å; S169-S173 PolarHBondContact O-N 3.2Å; S169-S173 PolarHBondContact O-OG 3.3Å; E170-S173 VanDerWaalsContact O-CB 3.31Å; E170-S173 WeakPolarHBondContact O-CB 3.29Å; E170-S173 PolarHBondContact O-N 3.18Å; D171-S173 PolarHBondContact O-N 2.86Å; S173-Q177 WeakPolarHBondContact O-CB 3.49Å; S173-Q177 PolarHBondContact O-N 2.9Å; S173-Q177 VanDerWaalsContact O-N 3.12Å
174	K	95.3	Very high	94.5	Very high	27 Å²	27	29.8 Å²	29.8	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-80.3	-42	-179.6	-168.8	170.3	165.1	44	0	111.7	W111 S119 L121 E170 D171 A172 L176 Q177 D178	W111-K174 HydrophobicContact CD2-CD 4.14Å; W111-K174 VanDerWaalsContact CD2-CE 3.42Å; W111-K174 HydrophobicContact CE3-CD 3.94Å; W111-K174 HydrophobicContact CZ3-CD 4.16Å; S119-K174 PolarHBondContact O-NZ 3.24Å; L121-K174 HydrophobicContact CD1-CB 4.18Å; L121-K174 HydrophobicContact CD1-CD 4.46Å; L121-K174 HydrophobicContact CD1-CG 3.93Å; L121-K174 HydrophobicContact CD2-CD 3.71Å; L121-K174 VanDerWaalsContact CD2-CE 3.47Å; L121-K174 HydrophobicContact CD2-CG 4.11Å; L121-K174 HydrophobicContact CG-CD 3.92Å; L121-K174 HydrophobicContact CG-CG 3.8Å; E170-K174 PolarHBondContact O-N 3.47Å; D171-K174 CarbonylContact O-C 3.56Å; D171-K174 WeakPolarHBondContact O-CA 3.45Å; D171-K174 PolarHBondContact O-N 3.42Å; A172-K174 VanDerWaalsContact C-N 3.32Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 3.03Å; K174-Q177 PolarHBondContact O-N 2.7Å; K174-Q177 VanDerWaalsContact O-N 3.09Å; K174-D178 VanDerWaalsContact CG-OD2 3.24Å; K174-D178 WeakPolarHBondContact CG-OD2 3.26Å; K174-D178 IonicContact NZ-OD1 3.29Å; K174-D178 IonicContact NZ-OD2 2.9Å; K174-D178 PolarHBondContact NZ-OD2 2.84Å; K174-D178 WeakPolarHBondContact O-CB 3.42Å; K174-D178 PolarHBondContact O-N 3.39Å
175	L	96.6	Very high	94.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.6	-43.1	169	-73.6	164.4	0	0	0	111.9	I107 L121 L124 L138 D171 Y179 G180 L181 V183	I107-L175 HydrophobicContact CD1-CD1 4.25Å; L121-L175 HydrophobicContact CD1-CB 4.29Å; L121-L175 HydrophobicContact CD1-CD2 3.51Å; L121-L175 HydrophobicContact CD1-CG 3.6Å; L124-L175 HydrophobicContact CD1-CD1 4.14Å; L124-L175 HydrophobicContact CD1-CD2 4.36Å; L124-L175 HydrophobicContact CD2-CD2 4.27Å; L138-L175 HydrophobicContact CD1-CD2 3.82Å; D171-L175 WeakPolarHBondContact O-CB 3.19Å; D171-L175 WeakPolarHBondContact O-CG 3.41Å; D171-L175 PolarHBondContact O-N 3.37Å; L175-Y179 CarbonylContact O-C 3.53Å; L175-Y179 WeakPolarHBondContact O-CA 3.41Å; L175-Y179 PolarHBondContact O-N 2.68Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; L175-G180 PolarHBondContact O-N 3.19Å; L175-L181 HydrophobicContact CB-CB 4.17Å; L175-L181 HydrophobicContact CB-CD1 4.49Å; L175-L181 HydrophobicContact CD2-CD1 3.85Å; L175-L181 PolarHBondContact O-N 2.86Å; L175-L181 VanDerWaalsContact O-N 3.16Å; L175-V183 HydrophobicContact CB-CG2 4.19Å; L175-V183 HydrophobicContact CD1-CG2 3.76Å
176	L	93.9	Very high	94.4	Very high	71 Å²	71	30.1 Å²	30.1	37%	0.372	17%	0.166	S	C	.	.	H	α-helix	trans	-68.4	-37.7	175.1	-179	60.7	0	0	0	113	A172 K174 G180 L181 V182 L342	A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 PolarHBondContact O-N 3.35Å; A172-L176 VanDerWaalsContact O-N 3.11Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 3.03Å; L176-G180 WeakPolarHBondContact O-CA 3.49Å; L176-G180 PolarHBondContact O-N 3.13Å; L176-G180 VanDerWaalsContact O-N 3.15Å; L176-L181 VanDerWaalsContact CA-O 3.24Å; L176-L181 WeakPolarHBondContact CA-O 3.12Å; L176-L181 WeakPolarHBondContact CB-O 3.3Å; L176-L181 PolarHBondContact N-O 3.39Å; L176-V182 HydrophobicContact CD1-CG2 3.89Å; L176-L342 HydrophobicContact CD2-CD2 3.91Å
177	Q	91.7	Very high	94.5	Very high	119 Å²	119	28.4 Å²	28.4	56%	0.556	16%	0.155	S	C	*	.	H	α-helix	trans	-73.8	-45.2	-178.2	176.1	174.1	-37.4	0	0	112.5	S173 K174 R339	S173-Q177 WeakPolarHBondContact O-CB 3.49Å; S173-Q177 PolarHBondContact O-N 2.9Å; S173-Q177 VanDerWaalsContact O-N 3.12Å; K174-Q177 PolarHBondContact O-N 2.7Å; K174-Q177 VanDerWaalsContact O-N 3.09Å; Q177-R339 VanDerWaalsContact OE1-NH1 3.1Å
178	D	93.1	Very high	94.7	Very high	46 Å²	46	28 Å²	28	25%	0.246	15%	0.151	C	C	.	.	H	α-helix	trans	-88.7	-34.9	-169.3	-60.9	-8.6	0	0	0	111.6	P120 L121 K174	P120-D178 WeakPolarHBondContact CA-OD2 3.35Å; P120-D178 HydrophobicContact CB-CB 4.26Å; L121-D178 PolarHBondContact N-OD2 2.91Å; L121-D178 VanDerWaalsContact N-OD2 3.11Å; K174-D178 VanDerWaalsContact CG-OD2 3.24Å; K174-D178 WeakPolarHBondContact CG-OD2 3.26Å; K174-D178 IonicContact NZ-OD1 3.29Å; K174-D178 IonicContact NZ-OD2 2.9Å; K174-D178 PolarHBondContact NZ-OD2 2.84Å; K174-D178 WeakPolarHBondContact O-CB 3.42Å; K174-D178 PolarHBondContact O-N 3.39Å
179	Y	93.9	Very high	94.7	Very high	19 Å²	19	28 Å²	28	8%	0.075	15%	0.151	C	C	.	.	H	α-helix	trans	-123.5	2.8	-175	-67.2	-90.2	0	0	0	113.7	P120 L121 L138 I142 L148 L175 L181 Y467	P120-Y179 HydrophobicContact CB-CE2 4.26Å; L121-Y179 HydrophobicContact CB-CD2 4.42Å; L121-Y179 HydrophobicContact CB-CE2 3.87Å; L121-Y179 PolarHBondContact O-OH 3.43Å; L138-Y179 HydrophobicContact CB-CD1 4.36Å; L138-Y179 HydrophobicContact CB-CE1 3.76Å; L138-Y179 HydrophobicContact CB-CE2 4.06Å; L138-Y179 HydrophobicContact CD1-CD2 3.95Å; L138-Y179 HydrophobicContact CD1-CE2 3.93Å; L138-Y179 HydrophobicContact CD1-CG 4.46Å; I142-Y179 HydrophobicContact CD1-CD1 4.29Å; I142-Y179 HydrophobicContact CD1-CE1 3.64Å; I142-Y179 HydrophobicContact CG1-CE1 4.21Å; I142-Y179 HydrophobicContact CG2-CE1 4.5Å; L148-Y179 HydrophobicContact CD1-CD1 3.99Å; L148-Y179 HydrophobicContact CD1-CG 4.41Å; L175-Y179 CarbonylContact O-C 3.53Å; L175-Y179 WeakPolarHBondContact O-CA 3.41Å; L175-Y179 PolarHBondContact O-N 2.68Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; Y179-L181 PolarHBondContact O-N 3.07Å; Y179-L181 VanDerWaalsContact O-N 3.13Å; Y179-Y467 WeakPolarHBondContact O-CD2 3.25Å; Y179-Y467 WeakPolarHBondContact O-CE2 3.36Å
180	G	91.1	Very high	94.7	Very high	32 Å²	32	28.9 Å²	28.9	33%	0.33	15%	0.153	S	C	.	.			trans	66.1	11.6	-177.8	0	0	0	0	0	114.5	L175 L176 V182	L175-G180 PolarHBondContact O-N 3.19Å; L176-G180 WeakPolarHBondContact O-CA 3.49Å; L176-G180 PolarHBondContact O-N 3.13Å; L176-G180 VanDerWaalsContact O-N 3.15Å; G180-V182 PolarHBondContact O-N 2.97Å
181	L	93.7	Very high	94.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	14%	0.141	C	C	.	.			trans	-76.1	118.8	-175.3	-66.9	171.5	0	0	0	110.7	L148 L153 L156 L175 L176 Y179 V183	L148-L181 HydrophobicContact CD1-CD1 3.79Å; L148-L181 HydrophobicContact CD1-CD2 3.9Å; L148-L181 HydrophobicContact CD1-CG 4.12Å; L153-L181 HydrophobicContact CD1-CD2 3.57Å; L153-L181 HydrophobicContact CD2-CD2 4.38Å; L153-L181 HydrophobicContact CG-CD2 3.67Å; L156-L181 HydrophobicContact CD1-CB 4.47Å; L156-L181 HydrophobicContact CD1-CD1 3.97Å; L156-L181 HydrophobicContact CD1-CD2 4.35Å; L175-L181 HydrophobicContact CB-CB 4.17Å; L175-L181 HydrophobicContact CB-CD1 4.49Å; L175-L181 HydrophobicContact CD2-CD1 3.85Å; L175-L181 PolarHBondContact O-N 2.86Å; L175-L181 VanDerWaalsContact O-N 3.16Å; L176-L181 VanDerWaalsContact CA-O 3.24Å; L176-L181 WeakPolarHBondContact CA-O 3.12Å; L176-L181 WeakPolarHBondContact CB-O 3.3Å; L176-L181 PolarHBondContact N-O 3.39Å; Y179-L181 PolarHBondContact O-N 3.07Å; Y179-L181 VanDerWaalsContact O-N 3.13Å; L181-V183 PolarHBondContact O-N 3.12Å
182	V	91.8	Very high	94.5	Very high	40 Å²	40	26.3 Å²	26.3	24%	0.242	14%	0.139	C	C	.	.			trans	-84.7	110.9	172.4	173	0	0	0	0	109.2	L156 A157 L176 G180 R184 A463	L156-V182 CarbonylContact C-O 3.56Å; A157-V182 VanDerWaalsContact CA-O 3.27Å; A157-V182 WeakPolarHBondContact CA-O 3.45Å; A157-V182 WeakPolarHBondContact CB-O 3.34Å; A157-V182 PolarHBondContact N-O 3.22Å; L176-V182 HydrophobicContact CD1-CG2 3.89Å; G180-V182 PolarHBondContact O-N 2.97Å; V182-R184 HydrophobicContact CG1-CG 4.25Å; V182-A463 HydrophobicContact CB-CB 3.98Å; V182-A463 HydrophobicContact CG1-CB 4.28Å; V182-A463 HydrophobicContact CG2-CB 3.8Å
183	V	95.3	Very high	94.2	Very high	18 Å²	18	26.2 Å²	26.2	11%	0.109	14%	0.137	C	C	.	.			trans	-94.4	142.4	171.4	-164.1	0	0	0	0	109.8	I107 L156 K163 A172 L175 L181 C186	I107-V183 HydrophobicContact CD1-CG1 4.49Å; L156-V183 HydrophobicContact CB-CG2 4.49Å; L156-V183 HydrophobicContact CD2-CG1 4.46Å; L156-V183 HydrophobicContact CD2-CG2 4.49Å; L156-V183 WeakPolarHBondContact O-CA 3.42Å; K163-V183 HydrophobicContact CG-CG1 4.13Å; A172-V183 HydrophobicContact CB-CB 3.9Å; A172-V183 HydrophobicContact CB-CG1 4.44Å; A172-V183 HydrophobicContact CB-CG2 4.12Å; L175-V183 HydrophobicContact CB-CG2 4.19Å; L175-V183 HydrophobicContact CD1-CG2 3.76Å; L181-V183 PolarHBondContact O-N 3.12Å; V183-C186 VanDerWaalsContact CG1-SG 3.6Å
184	R	94.4	Very high	93.9	Very high	42 Å²	42	28.4 Å²	28.4	16%	0.158	15%	0.145	C	C	.	.			trans	-140.4	158.8	173.9	-61.7	-174.4	-170.7	162.2	6.8	111	L156 K163 V182 T459 S460	L156-R184 PolarHBondContact O-N 2.74Å; K163-R184 WeakPolarHBondContact CD-O 3.46Å; K163-R184 PolarHBondContact NZ-O 3.03Å; V182-R184 HydrophobicContact CG1-CG 4.25Å; R184-T459 PolarHBondContact NH1-OG1 3.42Å; R184-T459 VanDerWaalsContact NH2-C 3.33Å; R184-T459 PolarHBondContact NH2-O 2.99Å; R184-S460 PolarHBondContact NH1-OG 3.02Å
185	G	95.5	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.			trans	82.2	15.4	-175.7	0	0	0	0	0	112.9	L162 K163 L187 D288	L162-G185 CarbonylContact C-O 3.48Å; L162-G185 WeakPolarHBondContact CA-O 3.38Å; K163-G185 PolarHBondContact N-O 3.18Å; G185-L187 PolarHBondContact O-N 3.12Å; G185-D288 PolarHBondContact N-OD1 2.81Å; G185-D288 PolarHBondContact N-OD2 2.92Å
186	C	97.9	Very high	92.5	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.5	-179.2	-73.5	0	0	0	0	110.7	K163 V183 V287 D288	K163-C186 CarbonylContact O-C 3.54Å; K163-C186 VanDerWaalsContact O-CA 3.3Å; K163-C186 WeakPolarHBondContact O-CA 3.42Å; V183-C186 VanDerWaalsContact CG1-SG 3.6Å; C186-V287 CarbonylContact O-C 3.53Å; C186-V287 WeakPolarHBondContact O-CA 3.29Å; C186-D288 PolarHBondContact N-OD1 3.5Å; C186-D288 PolarHBondContact O-N 2.81Å
187	L	97.5	Very high	91	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	112	-178.6	174.3	65.8	0	0	0	110.4	L162 K163 V164 G165 G185 L189 L192 F254 C283 V286 V287	L162-L187 HydrophobicContact CD1-CD2 4.35Å; K163-L187 PolarHBondContact O-N 3.39Å; V164-L187 WeakPolarHBondContact CA-O 3.45Å; V164-L187 HydrophobicContact CG1-CB 4.16Å; V164-L187 HydrophobicContact CG1-CD2 4.27Å; G165-L187 PolarHBondContact N-O 3.02Å; G185-L187 PolarHBondContact O-N 3.12Å; L187-L189 PolarHBondContact O-N 3.16Å; L187-L192 HydrophobicContact CD2-CD1 4.14Å; L187-F254 HydrophobicContact CD2-CD2 4.05Å; L187-F254 HydrophobicContact CD2-CE2 3.56Å; L187-C283 HydrophobicContact CD2-CB 4.02Å; L187-C283 VanDerWaalsContact CD2-SG 3.52Å; L187-V286 HydrophobicContact CD1-CB 4.04Å; L187-V286 HydrophobicContact CD1-CG2 3.56Å; L187-V287 HydrophobicContact CB-CG2 4.5Å; L187-V287 HydrophobicContact CD1-CG2 4.25Å
188	D	97.3	Very high	89.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.9	179.8	-164.5	-65.7	0	0	0	111.3	G165 G167 R190 Y191 F291	G165-D188 WeakPolarHBondContact O-CA 3.27Å; G167-D188 PolarHBondContact N-OD2 3.44Å; D188-R190 VanDerWaalsContact CG-NE 3.33Å; D188-R190 PolarHBondContact O-N 3.16Å; D188-R190 VanDerWaalsContact O-N 3.09Å; D188-R190 WeakPolarHBondContact OD1-CB 3.31Å; D188-R190 WeakPolarHBondContact OD1-CG 3.35Å; D188-R190 IonicContact OD1-CZ 3.47Å; D188-R190 PolarHBondContact OD1-N 2.93Å; D188-R190 IonicContact OD1-NE 2.68Å; D188-R190 PolarHBondContact OD1-NE 3.35Å; D188-R190 IonicContact OD1-NH2 2.69Å; D188-R190 IonicContact OD2-CZ 2.64Å; D188-R190 VanDerWaalsContact OD2-CZ 3.31Å; D188-R190 IonicContact OD2-NE 3.76Å; D188-R190 PolarHBondContact OD2-NE 2.87Å; D188-R190 VanDerWaalsContact OD2-NE 3.16Å; D188-R190 IonicContact OD2-NH2 3.74Å; D188-R190 PolarHBondContact OD2-NH2 3.01Å; D188-Y191 HydrophobicContact CB-CD2 4.05Å; D188-Y191 HydrophobicContact CB-CE2 4.44Å; D188-Y191 WeakPolarHBondContact O-CB 3.46Å; D188-Y191 PolarHBondContact O-N 3.26Å; D188-F291 HydrophobicContact CB-CB 4.03Å
189	L	95.9	Very high	87.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-25.5	-176.2	-65.8	172.8	0	0	0	113.2	V164 G165 V166 L187 Y191 L192 A193 L207 S250 L253 F254	V164-L189 HydrophobicContact CB-CD2 4.02Å; V164-L189 HydrophobicContact CB-CG 4.45Å; G165-L189 WeakPolarHBondContact O-CG 3.27Å; G165-L189 PolarHBondContact O-N 3.16Å; V166-L189 HydrophobicContact CG2-CB 4.05Å; V166-L189 HydrophobicContact CG2-CD1 4.31Å; L187-L189 PolarHBondContact O-N 3.16Å; L189-Y191 PolarHBondContact O-N 3.35Å; L189-L192 PolarHBondContact O-N 3.09Å; L189-A193 PolarHBondContact O-N 3.38Å; L189-L207 HydrophobicContact CD1-CD1 4.24Å; L189-S250 WeakPolarHBondContact CD1-O 3.41Å; L189-L253 HydrophobicContact CD1-CB 4Å; L189-L253 HydrophobicContact CD1-CD1 4.16Å; L189-F254 HydrophobicContact CD2-CB 3.76Å; L189-F254 HydrophobicContact CD2-CD2 4.39Å
190	R	93.9	Very high	85.7	Confident	32 Å²	32	47.9 Å²	47.9	12%	0.121	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-31.5	176.7	-59.4	176.8	-82.2	-166.4	-5.2	111.3	V166 E170 D188 M194 L205 F291	V166-R190 HydrophobicContact CG1-CG 3.98Å; V166-R190 HydrophobicContact CG2-CG 4.25Å; E170-R190 IonicContact OE1-NH2 3.31Å; D188-R190 VanDerWaalsContact CG-NE 3.33Å; D188-R190 PolarHBondContact O-N 3.16Å; D188-R190 VanDerWaalsContact O-N 3.09Å; D188-R190 WeakPolarHBondContact OD1-CB 3.31Å; D188-R190 WeakPolarHBondContact OD1-CG 3.35Å; D188-R190 IonicContact OD1-CZ 3.47Å; D188-R190 PolarHBondContact OD1-N 2.93Å; D188-R190 IonicContact OD1-NE 2.68Å; D188-R190 PolarHBondContact OD1-NE 3.35Å; D188-R190 IonicContact OD1-NH2 2.69Å; D188-R190 IonicContact OD2-CZ 2.64Å; D188-R190 VanDerWaalsContact OD2-CZ 3.31Å; D188-R190 IonicContact OD2-NE 3.76Å; D188-R190 PolarHBondContact OD2-NE 2.87Å; D188-R190 VanDerWaalsContact OD2-NE 3.16Å; D188-R190 IonicContact OD2-NH2 3.74Å; D188-R190 PolarHBondContact OD2-NH2 3.01Å; R190-M194 VanDerWaalsContact O-CB 3.29Å; R190-M194 WeakPolarHBondContact O-CB 3.47Å; R190-M194 WeakPolarHBondContact O-CG 3.27Å; R190-M194 PolarHBondContact O-N 3.03Å; R190-L205 HydrophobicContact CB-CB 4.42Å; R190-L205 HydrophobicContact CB-CD1 4.5Å; R190-L205 VanDerWaalsContact CD-O 3.31Å; R190-L205 WeakPolarHBondContact CD-O 3.29Å; R190-L205 HydrophobicContact CG-CB 3.99Å; R190-L205 WeakPolarHBondContact CG-O 3.33Å; R190-F291 HydrophobicContact CB-CD1 4.47Å; R190-F291 HydrophobicContact CB-CD2 3.64Å; R190-F291 HydrophobicContact CB-CE1 4.23Å; R190-F291 HydrophobicContact CB-CE2 3.36Å; R190-F291 HydrophobicContact CB-CG 4.2Å; R190-F291 HydrophobicContact CB-CZ 3.68Å; R190-F291 VanDerWaalsContact CZ-CD1 3.48Å
191	Y	93.4	Very high	84.1	Confident	47 Å²	47	51.3 Å²	51.3	18%	0.184	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-40.3	174.1	-76.8	-60.1	0	0	0	113	D188 L189 R195 V286 I289 P290 F291	D188-Y191 HydrophobicContact CB-CD2 4.05Å; D188-Y191 HydrophobicContact CB-CE2 4.44Å; D188-Y191 WeakPolarHBondContact O-CB 3.46Å; D188-Y191 PolarHBondContact O-N 3.26Å; L189-Y191 PolarHBondContact O-N 3.35Å; Y191-R195 WeakPolarHBondContact O-CG 3.4Å; Y191-R195 PolarHBondContact O-N 3.48Å; Y191-R195 VanDerWaalsContact O-N 3.13Å; Y191-V286 HydrophobicContact CD1-CB 4.48Å; Y191-V286 HydrophobicContact CD1-CG1 3.7Å; Y191-V286 HydrophobicContact CD2-CB 3.87Å; Y191-V286 HydrophobicContact CD2-CG1 3.98Å; Y191-V286 HydrophobicContact CE1-CG1 4.2Å; Y191-V286 HydrophobicContact CE2-CB 4.49Å; Y191-V286 HydrophobicContact CE2-CG1 4.45Å; Y191-V286 HydrophobicContact CG-CB 3.87Å; Y191-V286 HydrophobicContact CG-CG1 3.58Å; Y191-I289 HydrophobicContact CE2-CB 4.48Å; Y191-I289 HydrophobicContact CE2-CG2 4.38Å; Y191-P290 PolarHBondContact OH-O 3.32Å; Y191-F291 AromaticContact CD1-CD2 3.93Å; Y191-F291 HydrophobicContact CD1-CD2 3.93Å; Y191-F291 HydrophobicContact CD1-CE2 4.04Å; Y191-F291 AromaticContact CD2-CD2 3.8Å; Y191-F291 HydrophobicContact CD2-CD2 3.8Å; Y191-F291 AromaticContact CE1-CD2 3.8Å; Y191-F291 HydrophobicContact CE1-CD2 3.8Å; Y191-F291 HydrophobicContact CE1-CE2 4.09Å; Y191-F291 HydrophobicContact CE2-CB 4Å; Y191-F291 AromaticContact CE2-CD2 3.67Å; Y191-F291 HydrophobicContact CE2-CD2 3.67Å; Y191-F291 HydrophobicContact CE2-CG 4.3Å; Y191-F291 AromaticContact CG-CD2 3.93Å; Y191-F291 HydrophobicContact CG-CD2 3.93Å; Y191-F291 HydrophobicContact CG-CE2 4.3Å; Y191-F291 AromaticContact CZ-CD2 3.67Å
192	L	91.6	Very high	82.5	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-45.5	177.6	-63.1	-175.9	0	0	0	111	L187 L189 M194 R195 Q196 F254 L257 L258	L187-L192 HydrophobicContact CD2-CD1 4.14Å; L189-L192 PolarHBondContact O-N 3.09Å; L192-M194 VanDerWaalsContact C-N 3.29Å; L192-M194 PolarHBondContact O-N 3.11Å; L192-R195 WeakPolarHBondContact O-CB 3.47Å; L192-R195 PolarHBondContact O-N 3.18Å; L192-Q196 PolarHBondContact O-N 3.39Å; L192-Q196 VanDerWaalsContact O-N 3.14Å; L192-F254 HydrophobicContact CD1-CD2 3.57Å; L192-F254 HydrophobicContact CD1-CE2 3.93Å; L192-L257 HydrophobicContact CB-CB 4.22Å; L192-L257 HydrophobicContact CB-CD1 3.91Å; L192-L258 HydrophobicContact CD1-CD1 4.46Å; L192-L258 HydrophobicContact CD1-CD2 4.29Å; L192-L258 HydrophobicContact CD1-CG 4.23Å; L192-L258 HydrophobicContact CD2-CD2 4.3Å
193	A	89.8	Confident	81.4	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-42.9	173.5	0	0	0	0	0	112.1	L189 R195 Q196 L200 L205 L210 L257	L189-A193 PolarHBondContact O-N 3.38Å; A193-R195 VanDerWaalsContact C-N 3.31Å; A193-R195 PolarHBondContact O-N 3.21Å; A193-Q196 PolarHBondContact O-N 2.87Å; A193-L200 HydrophobicContact CB-CD1 4.1Å; A193-L205 HydrophobicContact CB-CD2 4.35Å; A193-L210 HydrophobicContact CB-CD1 4.36Å; A193-L210 HydrophobicContact CB-CD2 3.67Å; A193-L257 HydrophobicContact CB-CD1 4.43Å; A193-L257 HydrophobicContact CB-CD2 4.35Å
194	M	87.6	Confident	80.7	Confident	81 Å²	81	60.3 Å²	60.3	40%	0.399	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-24.4	174.9	-76.9	-179.1	71.2	0	0	114.3	R190 L192 R197 L205 F291	R190-M194 VanDerWaalsContact O-CB 3.29Å; R190-M194 WeakPolarHBondContact O-CB 3.47Å; R190-M194 WeakPolarHBondContact O-CG 3.27Å; R190-M194 PolarHBondContact O-N 3.03Å; L192-M194 VanDerWaalsContact C-N 3.29Å; L192-M194 PolarHBondContact O-N 3.11Å; M194-R197 VanDerWaalsContact O-CG 3.28Å; M194-R197 WeakPolarHBondContact O-CG 3.31Å; M194-L205 HydrophobicContact CG-CD1 3.78Å; M194-L205 HydrophobicContact SD-CD1 3.97Å; M194-F291 HydrophobicContact SD-CE2 3.68Å; M194-F291 HydrophobicContact SD-CZ 3.62Å
195	R	85.8	Confident	80.4	Confident	125 Å²	125	60.4 Å²	60.4	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-77.2	-31.7	174.5	-75.4	176.2	-176.8	-154.1	-4.1	112	Y191 L192 A193 R197 K282 Q284	Y191-R195 WeakPolarHBondContact O-CG 3.4Å; Y191-R195 PolarHBondContact O-N 3.48Å; Y191-R195 VanDerWaalsContact O-N 3.13Å; L192-R195 WeakPolarHBondContact O-CB 3.47Å; L192-R195 PolarHBondContact O-N 3.18Å; A193-R195 VanDerWaalsContact C-N 3.31Å; A193-R195 PolarHBondContact O-N 3.21Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 3.37Å; R195-K282 PolarHBondContact NH1-O 2.74Å; R195-Q284 PolarHBondContact NH1-O 3.45Å; R195-Q284 PolarHBondContact NH2-O 2.76Å
196	Q	76.3	Confident	80.2	Confident	88 Å²	88	63 Å²	63	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-77.5	-16.7	-177.3	-155.5	170.3	7.2	0	0	114.2	L192 A193 N198	L192-Q196 PolarHBondContact O-N 3.39Å; L192-Q196 VanDerWaalsContact O-N 3.14Å; A193-Q196 PolarHBondContact O-N 2.87Å; Q196-N198 PolarHBondContact O-N 3.04Å
197	R	62.7	Low	80	Confident	189 Å²	189	63.5 Å²	63.5	71%	0.713	33%	0.325	S	S	*	.			trans	50.4	-22	166.2	-88	-159.5	163.5	-176.7	-7.2	121.7	M194 R195	M194-R197 VanDerWaalsContact O-CG 3.28Å; M194-R197 WeakPolarHBondContact O-CG 3.31Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 3.37Å
198	N	55.1	Low	79.8	Confident	134 Å²	134	67.3 Å²	67.3	72%	0.717	34%	0.342	S	S	*	.	S	Bend	trans	-88.9	120.9	-179.4	-65.5	-11.4	0	0	0	109.8	Q196 L200	Q196-N198 PolarHBondContact O-N 3.04Å; N198-L200 VanDerWaalsContact C-N 3.34Å; N198-L200 PolarHBondContact O-N 3.39Å; N198-L200 VanDerWaalsContact O-N 3.15Å
199	N	53	Low	79.6	Confident	142 Å²	142	68.1 Å²	68.1	76%	0.759	35%	0.348	S	S	*	.	S	Bend	trans	71.4	-18.7	173.9	-53.6	-17.7	0	0	0	119.3	L201	N199-L201 PolarHBondContact O-N 2.91Å
200	L	60.2	Low	79.4	Confident	12 Å²	12	68.1 Å²	68.1	6%	0.063	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.3	-172.6	-71.3	167.6	0	0	0	116.9	A193 N198 L210 T213 V214 L257	A193-L200 HydrophobicContact CB-CD1 4.1Å; N198-L200 VanDerWaalsContact C-N 3.34Å; N198-L200 PolarHBondContact O-N 3.39Å; N198-L200 VanDerWaalsContact O-N 3.15Å; L200-L210 HydrophobicContact CD2-CD2 4.29Å; L200-T213 HydrophobicContact CD2-CG2 3.59Å; L200-V214 HydrophobicContact CD1-CG2 4.13Å; L200-V214 HydrophobicContact CD2-CG2 3.49Å; L200-V214 VanDerWaalsContact CD2-CG2 3.49Å; L200-V214 HydrophobicContact CG-CG2 4.45Å; L200-L257 HydrophobicContact CD1-CD2 4.24Å
201	L	58.3	Low	79.3	Confident	105 Å²	105	66.6 Å²	66.6	55%	0.55	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.7	-169.9	-70.8	169.7	0	0	0	115	N199	N199-L201 PolarHBondContact O-N 2.91Å
202	C	59.8	Low	79.2	Confident	118 Å²	118	68 Å²	68	80%	0.797	35%	0.35	S	S	*	.	S	Bend	trans	-87.2	-28.3	-174.5	-60.4	0	0	0	0	114
203	N	67.8	Low	79	Confident	98 Å²	98	69.9 Å²	69.9	52%	0.524	36%	0.362	S	S	.	.	S	Bend	trans	-97.2	3.8	-170.4	-62.7	-8.9	0	0	0	113.9	S209 T213	N203-S209 VanDerWaalsContact O-CB 3.22Å; N203-S209 WeakPolarHBondContact O-CB 3.38Å; N203-S209 PolarHBondContact O-OG 2.57Å; N203-T213 PolarHBondContact ND2-OG1 3.46Å; N203-T213 VanDerWaalsContact ND2-OG1 3.16Å
204	G	79.9	Confident	78.9	Confident	34 Å²	34	70.9 Å²	70.9	35%	0.351	37%	0.368	S	S	.	.			trans	83.1	164.6	-174.6	0	0	0	0	0	113.8	S209	G204-S209 WeakPolarHBondContact O-CB 3.31Å
205	L	88.5	Confident	78.9	Confident	44 Å²	44	68.1 Å²	68.1	23%	0.23	36%	0.355	C	S	.	.	S	Bend	trans	-110.9	31.9	-175.7	-59.9	176.8	0	0	0	112.2	R190 A193 M194 L210 F291	R190-L205 HydrophobicContact CB-CB 4.42Å; R190-L205 HydrophobicContact CB-CD1 4.5Å; R190-L205 VanDerWaalsContact CD-O 3.31Å; R190-L205 WeakPolarHBondContact CD-O 3.29Å; R190-L205 HydrophobicContact CG-CB 3.99Å; R190-L205 WeakPolarHBondContact CG-O 3.33Å; A193-L205 HydrophobicContact CB-CD2 4.35Å; M194-L205 HydrophobicContact CG-CD1 3.78Å; M194-L205 HydrophobicContact SD-CD1 3.97Å; L205-L210 HydrophobicContact CD2-CD2 4.09Å; L205-F291 HydrophobicContact CD1-CZ 4.3Å
206	S	92.6	Very high	79.1	Confident	55 Å²	55	69.1 Å²	69.1	39%	0.385	37%	0.369	S	S	.	.	S	Bend	trans	-78	157.1	170.9	78.9	0	0	0	0	110.3	K208 S209 L210	S206-K208 PolarHBondContact O-N 2.73Å; S206-S209 WeakPolarHBondContact O-CB 3.48Å; S206-S209 PolarHBondContact O-N 2.85Å; S206-S209 VanDerWaalsContact O-N 3.09Å; S206-S209 WeakPolarHBondContact OG-CB 3.18Å; S206-S209 PolarHBondContact OG-N 3.05Å; S206-S209 PolarHBondContact OG-OG 3.5Å; S206-L210 WeakPolarHBondContact O-CG 3.28Å; S206-L210 PolarHBondContact O-N 2.81Å
207	L	93.6	Very high	79.6	Confident	18 Å²	18	67.3 Å²	67.3	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-55.7	-40.1	176.2	-170.2	66.6	0	0	0	111.6	V166 L189 L210 A211 L219 D246 I249 S250 L253	V166-L207 HydrophobicContact CB-CB 4.09Å; V166-L207 HydrophobicContact CB-CD1 4.4Å; V166-L207 HydrophobicContact CG2-CB 4.06Å; V166-L207 HydrophobicContact CG2-CD1 3.81Å; L189-L207 HydrophobicContact CD1-CD1 4.24Å; L207-L210 PolarHBondContact O-N 3.26Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.29Å; L207-A211 PolarHBondContact O-N 3Å; L207-L219 HydrophobicContact CD2-CD1 4.19Å; L207-L219 HydrophobicContact CG-CD1 3.92Å; L207-D246 HydrophobicContact CD2-CB 3.88Å; L207-D246 VanDerWaalsContact CD2-OD1 3.29Å; L207-D246 WeakPolarHBondContact CD2-OD1 3.26Å; L207-I249 HydrophobicContact CD1-CG2 4.21Å; L207-I249 HydrophobicContact CG-CG2 4.37Å; L207-S250 WeakPolarHBondContact CD1-OG 3.47Å; L207-L253 HydrophobicContact CD1-CD1 3.65Å
208	K	93.3	Very high	80.9	Confident	81 Å²	81	62.6 Å²	62.6	35%	0.352	35%	0.354	S	S	.	.	H	α-helix	trans	-59.4	-52.4	173	178.5	175.4	178	174	0	112.2	S206 L210 A211 E212 L219 K221	S206-K208 PolarHBondContact O-N 2.73Å; K208-L210 VanDerWaalsContact C-N 3.28Å; K208-L210 PolarHBondContact O-N 3.31Å; K208-A211 PolarHBondContact O-N 3.09Å; K208-E212 WeakPolarHBondContact CE-OE1 3.34Å; K208-E212 IonicContact NZ-OE1 2.72Å; K208-E212 WeakPolarHBondContact O-CB 3.39Å; K208-E212 WeakPolarHBondContact O-CG 3.16Å; K208-E212 PolarHBondContact O-N 3.25Å; K208-L219 HydrophobicContact CB-CB 4.31Å; K208-L219 HydrophobicContact CG-CB 4.29Å; K208-K221 HydrophobicContact CB-CG 4.33Å; K208-K221 HydrophobicContact CD-CG 4.08Å
209	S	91.8	Very high	82.5	Confident	19 Å²	19	56.5 Å²	56.5	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-40.8	179.3	-56.6	0	0	0	0	112.3	N203 G204 S206 T213	N203-S209 VanDerWaalsContact O-CB 3.22Å; N203-S209 WeakPolarHBondContact O-CB 3.38Å; N203-S209 PolarHBondContact O-OG 2.57Å; G204-S209 WeakPolarHBondContact O-CB 3.31Å; S206-S209 WeakPolarHBondContact O-CB 3.48Å; S206-S209 PolarHBondContact O-N 2.85Å; S206-S209 VanDerWaalsContact O-N 3.09Å; S206-S209 WeakPolarHBondContact OG-CB 3.18Å; S206-S209 PolarHBondContact OG-N 3.05Å; S206-S209 PolarHBondContact OG-OG 3.5Å; S209-T213 VanDerWaalsContact O-CB 3.3Å; S209-T213 WeakPolarHBondContact O-CB 3.47Å; S209-T213 PolarHBondContact O-N 3.42Å; S209-T213 PolarHBondContact O-OG1 3.31Å
210	L	92	Very high	84.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-71.3	-42.9	179.2	-67.3	176.5	0	0	0	111.2	V166 A193 L200 L205 S206 L207 K208 E212 T213 V214 L253	V166-L210 HydrophobicContact CG2-CD1 4.03Å; A193-L210 HydrophobicContact CB-CD1 4.36Å; A193-L210 HydrophobicContact CB-CD2 3.67Å; L200-L210 HydrophobicContact CD2-CD2 4.29Å; L205-L210 HydrophobicContact CD2-CD2 4.09Å; S206-L210 WeakPolarHBondContact O-CG 3.28Å; S206-L210 PolarHBondContact O-N 2.81Å; L207-L210 PolarHBondContact O-N 3.26Å; K208-L210 VanDerWaalsContact C-N 3.28Å; K208-L210 PolarHBondContact O-N 3.31Å; L210-E212 PolarHBondContact O-N 3.21Å; L210-T213 PolarHBondContact O-N 3.24Å; L210-V214 VanDerWaalsContact O-CB 3.22Å; L210-V214 WeakPolarHBondContact O-CB 3.39Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.29Å; L210-L253 HydrophobicContact CB-CD1 3.88Å; L210-L253 HydrophobicContact CB-CD2 4.16Å
211	A	92.1	Very high	85.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-45.7	174.7	0	0	0	0	0	111.9	L207 K208 L215 N216 F217 L219 I249	L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.29Å; L207-A211 PolarHBondContact O-N 3Å; K208-A211 PolarHBondContact O-N 3.09Å; A211-L215 CarbonylContact O-C 3.54Å; A211-L215 WeakPolarHBondContact O-CA 3.12Å; A211-L215 WeakPolarHBondContact O-CB 3.2Å; A211-L215 PolarHBondContact O-N 3.13Å; A211-N216 PolarHBondContact O-N 3.01Å; A211-N216 VanDerWaalsContact O-N 3.11Å; A211-F217 CarbonylContact C-O 3.52Å; A211-F217 VanDerWaalsContact C-O 3.28Å; A211-F217 WeakPolarHBondContact CB-O 3.44Å; A211-F217 PolarHBondContact O-N 3.46Å; A211-L219 HydrophobicContact CB-CD1 3.86Å; A211-L219 HydrophobicContact CB-CG 4.15Å; A211-I249 HydrophobicContact CB-CG2 3.72Å
212	E	91.3	Very high	86.8	Confident	76 Å²	76	53 Å²	53	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-40.2	177.5	-73.1	173	174.3	0	0	112.2	K208 L210 N216 F217 P218	K208-E212 WeakPolarHBondContact CE-OE1 3.34Å; K208-E212 IonicContact NZ-OE1 2.72Å; K208-E212 WeakPolarHBondContact O-CB 3.39Å; K208-E212 WeakPolarHBondContact O-CG 3.16Å; K208-E212 PolarHBondContact O-N 3.25Å; L210-E212 PolarHBondContact O-N 3.21Å; E212-N216 WeakPolarHBondContact O-CA 3.39Å; E212-N216 PolarHBondContact O-N 3.01Å; E212-F217 PolarHBondContact N-O 2.9Å; E212-P218 HydrophobicContact CG-CB 4.46Å
213	T	88.6	Confident	87.9	Confident	48 Å²	48	52.6 Å²	52.6	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-87.8	-29.4	-174.1	-46.4	0	0	0	0	113.8	L200 N203 S209 L210	L200-T213 HydrophobicContact CD2-CG2 3.59Å; N203-T213 PolarHBondContact ND2-OG1 3.46Å; N203-T213 VanDerWaalsContact ND2-OG1 3.16Å; S209-T213 VanDerWaalsContact O-CB 3.3Å; S209-T213 WeakPolarHBondContact O-CB 3.47Å; S209-T213 PolarHBondContact O-N 3.42Å; S209-T213 PolarHBondContact O-OG1 3.31Å; L210-T213 PolarHBondContact O-N 3.24Å
214	V	87.8	Confident	88.9	Confident	22 Å²	22	55 Å²	55	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-98.5	-44.1	-177.1	-177.7	0	0	0	0	111.9	L200 L210 L253 H256 L257	L200-V214 HydrophobicContact CD1-CG2 4.13Å; L200-V214 HydrophobicContact CD2-CG2 3.49Å; L200-V214 VanDerWaalsContact CD2-CG2 3.49Å; L200-V214 HydrophobicContact CG-CG2 4.45Å; L210-V214 VanDerWaalsContact O-CB 3.22Å; L210-V214 WeakPolarHBondContact O-CB 3.39Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.29Å; V214-L253 HydrophobicContact CB-CD2 3.65Å; V214-L253 HydrophobicContact CG1-CD2 3.93Å; V214-L253 HydrophobicContact CG2-CD2 4.04Å; V214-H256 HydrophobicContact CG1-CB 4.27Å; V214-H256 VanDerWaalsContact CG1-CD2 3.41Å; V214-H256 WeakPolarHBondContact CG1-CD2 3.35Å; V214-L257 HydrophobicContact CG1-CD2 4.29Å; V214-L257 HydrophobicContact CG2-CD2 4.09Å
215	L	87.7	Confident	89.4	Confident	22 Å²	22	54.8 Å²	54.8	12%	0.115	30%	0.295	C	S	.	.	S	Bend	trans	-105.2	-0.8	-174.7	-55.9	178.8	0	0	0	113	W70 E71 A211 F217 I249 A252 L253 H256	W70-L215 HydrophobicContact CH2-CD2 4.24Å; E71-L215 HydrophobicContact CG-CD2 4.36Å; A211-L215 CarbonylContact O-C 3.54Å; A211-L215 WeakPolarHBondContact O-CA 3.12Å; A211-L215 WeakPolarHBondContact O-CB 3.2Å; A211-L215 PolarHBondContact O-N 3.13Å; L215-F217 HydrophobicContact CB-CB 4.24Å; L215-F217 PolarHBondContact O-N 3.45Å; L215-I249 HydrophobicContact CD1-CD1 3.92Å; L215-I249 HydrophobicContact CD1-CG2 4.44Å; L215-A252 HydrophobicContact CD1-CB 3.81Å; L215-L253 HydrophobicContact CD1-CD2 3.97Å; L215-L253 HydrophobicContact CD1-CG 3.89Å; L215-L253 HydrophobicContact CG-CD2 3.87Å; L215-L253 HydrophobicContact CG-CG 4.36Å; L215-H256 HydrophobicContact CD2-CB 3.88Å
216	N	88.6	Confident	89.4	Confident	146 Å²	146	58.7 Å²	58.7	78%	0.781	31%	0.306	S	S	*	.			trans	52.5	31.9	-172	-166.2	38.9	0	0	0	113	A211 E212	A211-N216 PolarHBondContact O-N 3.01Å; A211-N216 VanDerWaalsContact O-N 3.11Å; E212-N216 WeakPolarHBondContact O-CA 3.39Å; E212-N216 PolarHBondContact O-N 3.01Å
217	F	87.7	Confident	89.2	Confident	51 Å²	51	60.4 Å²	60.4	22%	0.224	32%	0.317	C	S	.	.			trans	-114.6	115	-174.4	-175.4	-97.2	0	0	0	111.9	L75 A211 E212 L215 L219 I249	L75-F217 HydrophobicContact CD1-CD1 4.5Å; L75-F217 HydrophobicContact CD1-CD2 3.62Å; L75-F217 HydrophobicContact CD1-CE1 4.4Å; L75-F217 HydrophobicContact CD1-CE2 3.53Å; L75-F217 HydrophobicContact CD1-CG 4.12Å; L75-F217 HydrophobicContact CD1-CZ 3.93Å; L75-F217 HydrophobicContact CD2-CE1 4.4Å; L75-F217 HydrophobicContact CD2-CZ 4.26Å; A211-F217 CarbonylContact C-O 3.52Å; A211-F217 VanDerWaalsContact C-O 3.28Å; A211-F217 WeakPolarHBondContact CB-O 3.44Å; A211-F217 PolarHBondContact O-N 3.46Å; E212-F217 PolarHBondContact N-O 2.9Å; L215-F217 HydrophobicContact CB-CB 4.24Å; L215-F217 PolarHBondContact O-N 3.45Å; F217-L219 HydrophobicContact CD1-CG 4.32Å; F217-L219 HydrophobicContact CE1-CD2 4.06Å; F217-L219 HydrophobicContact CE1-CG 4.32Å; F217-L219 PolarHBondContact O-N 3.2Å; F217-I249 HydrophobicContact CB-CD1 4.36Å; F217-I249 HydrophobicContact CD1-CD1 3.51Å; F217-I249 HydrophobicContact CD1-CG1 4.07Å; F217-I249 HydrophobicContact CE1-CD1 4.03Å; F217-I249 HydrophobicContact CE1-CG1 4.22Å; F217-I249 HydrophobicContact CG-CD1 4.04Å
218	P	89.5	Confident	89.1	Confident	89 Å²	89	60.5 Å²	60.5	58%	0.578	32%	0.32	S	S	*	.			trans	-77.2	115.8	177.8	30.4	-32.9	0	0	0	111.3	E212	E212-P218 HydrophobicContact CG-CB 4.46Å
219	L	88.7	Confident	89.1	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.037	33%	0.326	C	S	.	.			trans	-80.1	129	171.5	-86.6	169.8	0	0	0	111.4	L207 K208 A211 F217 K221 R245 I249	L207-L219 HydrophobicContact CD2-CD1 4.19Å; L207-L219 HydrophobicContact CG-CD1 3.92Å; K208-L219 HydrophobicContact CB-CB 4.31Å; K208-L219 HydrophobicContact CG-CB 4.29Å; A211-L219 HydrophobicContact CB-CD1 3.86Å; A211-L219 HydrophobicContact CB-CG 4.15Å; F217-L219 HydrophobicContact CD1-CG 4.32Å; F217-L219 HydrophobicContact CE1-CD2 4.06Å; F217-L219 HydrophobicContact CE1-CG 4.32Å; F217-L219 PolarHBondContact O-N 3.2Å; L219-K221 PolarHBondContact O-N 3.15Å; L219-R245 HydrophobicContact CD2-CB 4.16Å; L219-I249 HydrophobicContact CD1-CB 4.47Å; L219-I249 HydrophobicContact CD1-CG2 4.03Å; L219-I249 HydrophobicContact CD2-CG1 4.18Å; L219-I249 HydrophobicContact CG-CG1 4.47Å
220	D	85.9	Confident	89.2	Confident	82 Å²	82	60 Å²	60	44%	0.439	32%	0.32	S	S	.	.			trans	-66.8	131.8	164.3	-172.7	10.1	0	0	0	109.5	S222 Y242	D220-S222 VanDerWaalsContact OD1-CB 3.31Å; D220-S222 WeakPolarHBondContact OD1-CB 3.5Å; D220-S222 PolarHBondContact OD1-N 2.54Å; D220-Y242 WeakPolarHBondContact O-CE2 3.02Å
221	K	86.7	Confident	89.2	Confident	68 Å²	68	62.9 Å²	62.9	30%	0.296	34%	0.335	S	S	.	.			trans	-129.4	32.7	174.8	-66.8	-66.6	174.4	179	0	111	K208 L219 L223 D246	K208-K221 HydrophobicContact CB-CG 4.33Å; K208-K221 HydrophobicContact CD-CG 4.08Å; L219-K221 PolarHBondContact O-N 3.15Å; K221-L223 PolarHBondContact O-N 3.18Å; K221-D246 WeakPolarHBondContact CE-OD1 3.24Å; K221-D246 IonicContact NZ-OD1 3.89Å; K221-D246 PolarHBondContact NZ-OD1 2.96Å; K221-D246 IonicContact NZ-OD2 3.03Å; K221-D246 PolarHBondContact NZ-OD2 3.45Å
222	S	88.1	Confident	89.2	Confident	34 Å²	34	63.9 Å²	63.9	24%	0.238	34%	0.343	C	S	.	.			trans	-44.4	122.2	173.6	178.2	0	0	0	0	111.5	D220 L224 L225 R226	D220-S222 VanDerWaalsContact OD1-CB 3.31Å; D220-S222 WeakPolarHBondContact OD1-CB 3.5Å; D220-S222 PolarHBondContact OD1-N 2.54Å; S222-L224 PolarHBondContact O-N 2.99Å; S222-L224 PolarHBondContact OG-N 3.14Å; S222-L225 PolarHBondContact O-N 3.25Å; S222-R226 WeakPolarHBondContact O-CB 3.32Å; S222-R226 PolarHBondContact O-N 3.43Å
223	L	84.1	Confident	89.1	Confident	111 Å²	111	67 Å²	67	58%	0.581	36%	0.358	S	S	*	.	H	α-helix	trans	-62.9	-23	174.6	-66.3	178.1	0	0	0	112.2	K221 C227	K221-L223 PolarHBondContact O-N 3.18Å; L223-C227 VanDerWaalsContact O-CB 3.26Å; L223-C227 WeakPolarHBondContact O-CB 3.36Å; L223-C227 PolarHBondContact O-N 3.47Å; L223-C227 VanDerWaalsContact O-N 3.09Å
224	L	88.5	Confident	89.3	Confident	147 Å²	147	70.2 Å²	70.2	77%	0.77	38%	0.378	S	S	*	.	H	α-helix	trans	-70.5	-35.6	177.7	-60	174.9	0	0	0	111.8	S222 S228	S222-L224 PolarHBondContact O-N 2.99Å; S222-L224 PolarHBondContact OG-N 3.14Å; L224-S228 WeakPolarHBondContact O-CB 3.46Å; L224-S228 PolarHBondContact O-N 2.82Å
225	L	90.4	Very high	89.6	Confident	30 Å²	30	70.1 Å²	70.1	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-83.9	-46.7	177	-65.4	173.4	0	0	0	111	S222 C227 S228 W230 D238 Q239 Y242	S222-L225 PolarHBondContact O-N 3.25Å; L225-C227 PolarHBondContact O-N 3.21Å; L225-S228 WeakPolarHBondContact O-CB 3.3Å; L225-S228 PolarHBondContact O-N 3.39Å; L225-S228 PolarHBondContact O-OG 2.95Å; L225-W230 WeakPolarHBondContact O-CZ2 3.33Å; L225-D238 HydrophobicContact CD1-CB 4.43Å; L225-D238 HydrophobicContact CD2-CB 3.85Å; L225-Q239 HydrophobicContact CD2-CG 4.42Å; L225-Y242 HydrophobicContact CB-CD1 4.47Å; L225-Y242 HydrophobicContact CB-CD2 3.81Å; L225-Y242 HydrophobicContact CB-CE2 4.12Å; L225-Y242 HydrophobicContact CB-CG 4.01Å; L225-Y242 HydrophobicContact CD1-CD2 3.83Å; L225-Y242 HydrophobicContact CD1-CG 4.27Å; L225-Y242 HydrophobicContact CG-CD2 4.47Å
226	R	89.1	Confident	90	Very high	126 Å²	126	72.4 Å²	72.4	48%	0.475	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-30	179.1	-164.3	176.9	67.1	88.8	1.3	113.9	S222 Y242	S222-R226 WeakPolarHBondContact O-CB 3.32Å; S222-R226 PolarHBondContact O-N 3.43Å; R226-Y242 WeakPolarHBondContact CB-OH 3.49Å
227	C	88.2	Confident	90.3	Very high	91 Å²	91	71.8 Å²	71.8	62%	0.615	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	22.2	175.6	-56.5	0	0	0	0	112.2	L223 L225	L223-C227 VanDerWaalsContact O-CB 3.26Å; L223-C227 WeakPolarHBondContact O-CB 3.36Å; L223-C227 PolarHBondContact O-N 3.47Å; L223-C227 VanDerWaalsContact O-N 3.09Å; L225-C227 PolarHBondContact O-N 3.21Å
228	S	91.8	Very high	90.6	Very high	20 Å²	20	74.5 Å²	74.5	14%	0.14	40%	0.4	C	S	.	.	S	Bend	trans	-72.4	171.5	178	68.8	0	0	0	0	112.2	L224 L225 W230 Q239	L224-S228 WeakPolarHBondContact O-CB 3.46Å; L224-S228 PolarHBondContact O-N 2.82Å; L225-S228 WeakPolarHBondContact O-CB 3.3Å; L225-S228 PolarHBondContact O-N 3.39Å; L225-S228 PolarHBondContact O-OG 2.95Å; S228-W230 PolarHBondContact O-N 2.58Å; S228-W230 VanDerWaalsContact O-N 3.1Å; S228-Q239 PolarHBondContact OG-NE2 2.84Å
229	N	92.6	Very high	90.9	Very high	90 Å²	90	70.7 Å²	70.7	48%	0.481	38%	0.375	S	S	.	.			trans	-79.5	90.2	174.3	-175.3	10.9	0	0	0	110.7	D231 A232 Q239	N229-D231 PolarHBondContact O-N 3.41Å; N229-D231 PolarHBondContact OD1-N 3.48Å; N229-D231 VanDerWaalsContact OD1-N 3.15Å; N229-A232 HydrophobicContact CB-CB 4.35Å; N229-A232 VanDerWaalsContact O-CB 3.24Å; N229-A232 WeakPolarHBondContact O-CB 3.4Å; N229-A232 PolarHBondContact O-N 3.17Å; N229-A232 PolarHBondContact OD1-N 2.84Å; N229-Q239 PolarHBondContact O-NE2 2.83Å
230	W	94.8	Very high	91.2	Very high	1 Å²	1	71.3 Å²	71.3	0%	0.004	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.4	175.3	-64.7	117.3	0	0	0	114.1	E110 V112 S122 L123 R137 L225 S228 L235 Q239 Y242 A243	E110-W230 HydrophobicContact CB-CB 4.43Å; E110-W230 HydrophobicContact CB-CD2 3.71Å; E110-W230 HydrophobicContact CB-CE3 4.24Å; E110-W230 HydrophobicContact CB-CG 3.78Å; E110-W230 HydrophobicContact CB-CZ2 4.35Å; E110-W230 VanDerWaalsContact CD-CE2 3.49Å; E110-W230 VanDerWaalsContact CD-CZ2 3.45Å; E110-W230 HydrophobicContact CG-CD2 3.97Å; E110-W230 HydrophobicContact CG-CE3 4.32Å; E110-W230 HydrophobicContact CG-CH2 4.09Å; E110-W230 HydrophobicContact CG-CZ2 3.7Å; E110-W230 HydrophobicContact CG-CZ3 4.37Å; E110-W230 PolarHBondContact OE2-NE1 3.15Å; V112-W230 HydrophobicContact CG2-CB 4.13Å; S122-W230 VanDerWaalsContact CB-CB 3.48Å; L123-W230 HydrophobicContact CD2-CE3 4.39Å; L123-W230 HydrophobicContact CD2-CZ3 4.31Å; R137-W230 PolarHBondContact NH2-O 3.16Å; L225-W230 WeakPolarHBondContact O-CZ2 3.33Å; S228-W230 PolarHBondContact O-N 2.58Å; S228-W230 VanDerWaalsContact O-N 3.1Å; W230-L235 HydrophobicContact CE3-CD2 4.08Å; W230-Q239 HydrophobicContact CE3-CB 4.35Å; W230-Q239 HydrophobicContact CE3-CG 4.39Å; W230-Q239 HydrophobicContact CH2-CB 4Å; W230-Q239 HydrophobicContact CH2-CG 4.15Å; W230-Q239 WeakPolarHBondContact CH2-O 3.24Å; W230-Q239 HydrophobicContact CZ3-CB 3.6Å; W230-Q239 HydrophobicContact CZ3-CG 3.93Å; W230-Y242 AromaticContact CH2-CD1 3.83Å; W230-Y242 HydrophobicContact CH2-CD1 3.83Å; W230-Y242 AromaticContact CZ2-CD1 3.82Å; W230-Y242 HydrophobicContact CZ2-CD1 3.82Å; W230-Y242 HydrophobicContact CZ2-CE1 4.18Å; W230-A243 HydrophobicContact CH2-CB 4Å; W230-A243 HydrophobicContact CZ3-CB 4.07Å
231	D	91.3	Very high	91.6	Very high	59 Å²	59	69.7 Å²	69.7	32%	0.316	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.3	173.6	-67.2	-33.2	0	0	0	113.2	V112 S122 N229	V112-D231 HydrophobicContact CG2-CB 4.1Å; V112-D231 WeakPolarHBondContact CG2-OD2 3.37Å; S122-D231 WeakPolarHBondContact CB-OD1 3.28Å; S122-D231 VanDerWaalsContact OG-CG 3.27Å; S122-D231 PolarHBondContact OG-OD1 3.01Å; N229-D231 PolarHBondContact O-N 3.41Å; N229-D231 PolarHBondContact OD1-N 3.48Å; N229-D231 VanDerWaalsContact OD1-N 3.15Å
232	A	91.3	Very high	91.9	Very high	22 Å²	22	67 Å²	67	18%	0.182	36%	0.358	C	S	.	.	S	Bend	trans	-54	148.5	179.1	0	0	0	0	0	112.6	R137 N229 T234	R137-A232 PolarHBondContact NH1-O 3.41Å; R137-A232 PolarHBondContact NH2-O 3.16Å; N229-A232 HydrophobicContact CB-CB 4.35Å; N229-A232 VanDerWaalsContact O-CB 3.24Å; N229-A232 WeakPolarHBondContact O-CB 3.4Å; N229-A232 PolarHBondContact O-N 3.17Å; N229-A232 PolarHBondContact OD1-N 2.84Å; A232-T234 VanDerWaalsContact C-N 3.28Å; A232-T234 PolarHBondContact O-N 3.02Å
233	E	90	Very high	92.2	Very high	140 Å²	140	65.3 Å²	65.3	65%	0.654	35%	0.346	S	S	*	.	S	Bend	trans	-57.3	-44.6	-176.1	-166.9	55.4	-139	0	0	111.9	R137 K140	R137-E233 PolarHBondContact NH1-O 3.23Å; K140-E233 IonicContact NZ-OE1 3.96Å; K140-E233 PolarHBondContact NZ-OE1 3.46Å; K140-E233 IonicContact NZ-OE2 2.68Å; K140-E233 PolarHBondContact NZ-OE2 2.83Å
234	T	92	Very high	92.8	Very high	117 Å²	117	60.1 Å²	60.1	72%	0.718	32%	0.319	S	S	*	.	S	Bend	trans	-121.2	133.7	170.7	-50	0	0	0	0	108.5	A232	A232-T234 VanDerWaalsContact C-N 3.28Å; A232-T234 PolarHBondContact O-N 3.02Å
235	L	94.6	Very high	93.1	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.099	30%	0.3	C	S	.	.			trans	-75.1	145.7	171.1	-62	178.5	0	0	0	109.8	L123 W230 Q239 V240	L123-L235 HydrophobicContact CD1-CD1 4.1Å; L123-L235 HydrophobicContact CD2-CD1 4.35Å; W230-L235 HydrophobicContact CE3-CD2 4.08Å; L235-Q239 HydrophobicContact CB-CB 4.27Å; L235-V240 HydrophobicContact CB-CG2 3.94Å; L235-V240 HydrophobicContact CD1-CG2 4.45Å
236	T	95.6	Very high	93.3	Very high	70 Å²	70	56.4 Å²	56.4	43%	0.429	29%	0.293	S	S	.	.			trans	-73.4	158.8	171.9	70.2	0	0	0	0	111.2	D238 Q239 V240	T236-D238 PolarHBondContact O-N 3.06Å; T236-Q239 WeakPolarHBondContact O-CB 3.27Å; T236-Q239 PolarHBondContact O-N 2.84Å; T236-Q239 VanDerWaalsContact O-N 3.07Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.21Å; T236-Q239 PolarHBondContact OG1-N 2.96Å; T236-Q239 VanDerWaalsContact OG1-N 3.16Å; T236-V240 WeakPolarHBondContact O-CG2 3.29Å; T236-V240 PolarHBondContact O-N 2.9Å
237	E	95.3	Very high	93.6	Very high	133 Å²	133	50.4 Å²	50.4	62%	0.621	27%	0.27	S	S	*	.	H	α-helix	trans	-56.6	-41.1	174.4	-169.8	60.4	-150.3	0	0	111.3	Q239 V240 I241	E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.49Å; E237-V240 PolarHBondContact O-N 2.82Å; E237-I241 HydrophobicContact CG-CD1 3.81Å; E237-I241 HydrophobicContact CG-CG1 4.43Å; E237-I241 WeakPolarHBondContact O-CB 3.22Å; E237-I241 VanDerWaalsContact O-CG1 3.26Å; E237-I241 WeakPolarHBondContact O-CG1 3.45Å; E237-I241 PolarHBondContact O-N 3.2Å
238	D	94.3	Very high	94	Very high	108 Å²	108	46.3 Å²	46.3	58%	0.578	24%	0.242	S	C	*	.	H	α-helix	trans	-62.5	-37.8	175.7	-63.4	-39.4	0	0	0	112.7	L225 T236 Y242	L225-D238 HydrophobicContact CD1-CB 4.43Å; L225-D238 HydrophobicContact CD2-CB 3.85Å; T236-D238 PolarHBondContact O-N 3.06Å; D238-Y242 WeakPolarHBondContact O-CB 3.44Å; D238-Y242 PolarHBondContact O-N 3.41Å
239	Q	95.4	Very high	94.2	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-45.1	174.3	-80.6	178.4	-54.3	0	0	111.7	L225 S228 N229 W230 L235 T236 E237 Y242 A243	L225-Q239 HydrophobicContact CD2-CG 4.42Å; S228-Q239 PolarHBondContact OG-NE2 2.84Å; N229-Q239 PolarHBondContact O-NE2 2.83Å; W230-Q239 HydrophobicContact CE3-CB 4.35Å; W230-Q239 HydrophobicContact CE3-CG 4.39Å; W230-Q239 HydrophobicContact CH2-CB 4Å; W230-Q239 HydrophobicContact CH2-CG 4.15Å; W230-Q239 WeakPolarHBondContact CH2-O 3.24Å; W230-Q239 HydrophobicContact CZ3-CB 3.6Å; W230-Q239 HydrophobicContact CZ3-CG 3.93Å; L235-Q239 HydrophobicContact CB-CB 4.27Å; T236-Q239 WeakPolarHBondContact O-CB 3.27Å; T236-Q239 PolarHBondContact O-N 2.84Å; T236-Q239 VanDerWaalsContact O-N 3.07Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.21Å; T236-Q239 PolarHBondContact OG1-N 2.96Å; T236-Q239 VanDerWaalsContact OG1-N 3.16Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.49Å; Q239-Y242 PolarHBondContact O-N 3.41Å; Q239-A243 WeakPolarHBondContact O-CB 3.45Å; Q239-A243 PolarHBondContact O-N 3.11Å
240	V	95.8	Very high	94.3	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-48.6	177.6	168	0	0	0	0	110.6	V79 L135 L235 T236 E237 A244	V79-V240 HydrophobicContact CB-CG1 4.33Å; V79-V240 HydrophobicContact CG1-CG1 3.71Å; L135-V240 HydrophobicContact CD1-CB 4.23Å; L135-V240 HydrophobicContact CD1-CG1 3.84Å; L135-V240 HydrophobicContact CD1-CG2 4.35Å; L235-V240 HydrophobicContact CB-CG2 3.94Å; L235-V240 HydrophobicContact CD1-CG2 4.45Å; T236-V240 WeakPolarHBondContact O-CG2 3.29Å; T236-V240 PolarHBondContact O-N 2.9Å; E237-V240 PolarHBondContact O-N 2.82Å; V240-A244 VanDerWaalsContact O-CB 3.28Å; V240-A244 WeakPolarHBondContact O-CB 3.39Å; V240-A244 PolarHBondContact O-N 3.43Å
241	I	93.5	Very high	94.3	Very high	48 Å²	48	41.2 Å²	41.2	25%	0.246	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-41.7	177.9	-71.3	173.6	0	0	0	111.4	E237 R245	E237-I241 HydrophobicContact CG-CD1 3.81Å; E237-I241 HydrophobicContact CG-CG1 4.43Å; E237-I241 WeakPolarHBondContact O-CB 3.22Å; E237-I241 VanDerWaalsContact O-CG1 3.26Å; E237-I241 WeakPolarHBondContact O-CG1 3.45Å; E237-I241 PolarHBondContact O-N 3.2Å; I241-R245 WeakPolarHBondContact O-CB 3.41Å; I241-R245 WeakPolarHBondContact O-CD 3.49Å; I241-R245 WeakPolarHBondContact O-CG 3.49Å; I241-R245 PolarHBondContact O-N 2.84Å
242	Y	94.2	Very high	94.4	Very high	11 Å²	11	38.5 Å²	38.5	4%	0.043	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-56.3	178	-179.3	-89.8	0	0	0	111.5	E110 D220 L225 R226 W230 D238 Q239 A244 R245	E110-Y242 WeakPolarHBondContact OE1-CE1 3.3Å; D220-Y242 WeakPolarHBondContact O-CE2 3.02Å; L225-Y242 HydrophobicContact CB-CD1 4.47Å; L225-Y242 HydrophobicContact CB-CD2 3.81Å; L225-Y242 HydrophobicContact CB-CE2 4.12Å; L225-Y242 HydrophobicContact CB-CG 4.01Å; L225-Y242 HydrophobicContact CD1-CD2 3.83Å; L225-Y242 HydrophobicContact CD1-CG 4.27Å; L225-Y242 HydrophobicContact CG-CD2 4.47Å; R226-Y242 WeakPolarHBondContact CB-OH 3.49Å; W230-Y242 AromaticContact CH2-CD1 3.83Å; W230-Y242 HydrophobicContact CH2-CD1 3.83Å; W230-Y242 AromaticContact CZ2-CD1 3.82Å; W230-Y242 HydrophobicContact CZ2-CD1 3.82Å; W230-Y242 HydrophobicContact CZ2-CE1 4.18Å; D238-Y242 WeakPolarHBondContact O-CB 3.44Å; D238-Y242 PolarHBondContact O-N 3.41Å; Q239-Y242 PolarHBondContact O-N 3.41Å; Y242-A244 VanDerWaalsContact C-N 3.34Å; Y242-A244 PolarHBondContact O-N 3.15Å; Y242-R245 PolarHBondContact O-N 3.12Å
243	A	94.5	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-37.8	-176	0	0	0	0	0	112.4	L123 Q125 L135 W230 Q239	L123-A243 HydrophobicContact CD2-CB 3.67Å; Q125-A243 HydrophobicContact CG-CB 3.99Å; L135-A243 HydrophobicContact CD2-CB 4.27Å; W230-A243 HydrophobicContact CH2-CB 4Å; W230-A243 HydrophobicContact CZ3-CB 4.07Å; Q239-A243 WeakPolarHBondContact O-CB 3.45Å; Q239-A243 PolarHBondContact O-N 3.11Å
244	A	96.1	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-40	177.9	0	0	0	0	0	112.9	V79 C133 L135 V240 Y242 D246 A247 Q248	V79-A244 HydrophobicContact CB-CB 4.37Å; V79-A244 HydrophobicContact CG1-CB 3.79Å; V79-A244 HydrophobicContact CG2-CB 3.58Å; C133-A244 HydrophobicContact CB-CB 4.01Å; L135-A244 HydrophobicContact CD2-CB 4.27Å; V240-A244 VanDerWaalsContact O-CB 3.28Å; V240-A244 WeakPolarHBondContact O-CB 3.39Å; V240-A244 PolarHBondContact O-N 3.43Å; Y242-A244 VanDerWaalsContact C-N 3.34Å; Y242-A244 PolarHBondContact O-N 3.15Å; A244-D246 PolarHBondContact O-N 3.17Å; A244-A247 PolarHBondContact O-N 3.48Å; A244-Q248 WeakPolarHBondContact O-CB 3.46Å; A244-Q248 VanDerWaalsContact O-CG 3.29Å; A244-Q248 WeakPolarHBondContact O-CG 3.39Å; A244-Q248 PolarHBondContact O-N 3.04Å
245	R	94.8	Very high	94.5	Very high	96 Å²	96	25.5 Å²	25.5	36%	0.362	13%	0.127	S	C	.	.	H	α-helix	trans	-62.4	-38.5	-176	-82.4	172	178.7	164.1	4.8	113.3	L219 I241 Y242 Q248 I249	L219-R245 HydrophobicContact CD2-CB 4.16Å; I241-R245 WeakPolarHBondContact O-CB 3.41Å; I241-R245 WeakPolarHBondContact O-CD 3.49Å; I241-R245 WeakPolarHBondContact O-CG 3.49Å; I241-R245 PolarHBondContact O-N 2.84Å; Y242-R245 PolarHBondContact O-N 3.12Å; R245-Q248 PolarHBondContact O-N 2.74Å; R245-I249 VanDerWaalsContact O-CB 3.24Å; R245-I249 WeakPolarHBondContact O-CB 3.14Å; R245-I249 VanDerWaalsContact O-CG1 3.27Å; R245-I249 WeakPolarHBondContact O-CG1 3.35Å; R245-I249 PolarHBondContact O-N 3.4Å
246	D	93.5	Very high	94.3	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-38.9	-179.3	-81.7	-34.8	0	0	0	112.2	D108 L207 K221 A244 S250	D108-D246 WeakPolarHBondContact OD2-CB 3.33Å; L207-D246 HydrophobicContact CD2-CB 3.88Å; L207-D246 VanDerWaalsContact CD2-OD1 3.29Å; L207-D246 WeakPolarHBondContact CD2-OD1 3.26Å; K221-D246 WeakPolarHBondContact CE-OD1 3.24Å; K221-D246 IonicContact NZ-OD1 3.89Å; K221-D246 PolarHBondContact NZ-OD1 2.96Å; K221-D246 IonicContact NZ-OD2 3.03Å; K221-D246 PolarHBondContact NZ-OD2 3.45Å; A244-D246 PolarHBondContact O-N 3.17Å; D246-S250 WeakPolarHBondContact O-CB 3.39Å; D246-S250 PolarHBondContact O-N 3.19Å; D246-S250 VanDerWaalsContact O-N 3.11Å; D246-S250 PolarHBondContact O-OG 2.81Å
247	A	96.4	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.1	-45.6	172	0	0	0	0	0	112.2	D108 Q125 A127 A244 S250 V251	D108-A247 HydrophobicContact CB-CB 4.47Å; Q125-A247 HydrophobicContact CB-CB 3.86Å; A127-A247 VanDerWaalsContact CB-C 3.44Å; A127-A247 HydrophobicContact CB-CB 3.71Å; A244-A247 PolarHBondContact O-N 3.48Å; A247-S250 WeakPolarHBondContact O-CB 3.35Å; A247-S250 PolarHBondContact O-N 3.29Å; A247-S250 VanDerWaalsContact O-N 3.15Å; A247-V251 PolarHBondContact O-N 2.98Å
248	Q	96.4	Very high	93.6	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-45.4	178.2	-76.1	171.7	-28.7	0	0	112.5	I74 A127 G131 C133 A244 R245 S250 V251 A252	I74-Q248 HydrophobicContact CG2-CB 4.03Å; I74-Q248 HydrophobicContact CG2-CG 4.48Å; I74-Q248 PolarHBondContact O-NE2 3.35Å; A127-Q248 HydrophobicContact CB-CB 4.5Å; A127-Q248 HydrophobicContact CB-CG 4.04Å; G131-Q248 PolarHBondContact O-NE2 2.67Å; C133-Q248 HydrophobicContact CB-CG 4.09Å; A244-Q248 WeakPolarHBondContact O-CB 3.46Å; A244-Q248 VanDerWaalsContact O-CG 3.29Å; A244-Q248 WeakPolarHBondContact O-CG 3.39Å; A244-Q248 PolarHBondContact O-N 3.04Å; R245-Q248 PolarHBondContact O-N 2.74Å; Q248-S250 VanDerWaalsContact C-N 3.28Å; Q248-S250 PolarHBondContact O-N 3.11Å; Q248-V251 WeakPolarHBondContact O-CG1 3.36Å; Q248-V251 PolarHBondContact O-N 3.24Å; Q248-A252 WeakPolarHBondContact O-CB 3.23Å; Q248-A252 PolarHBondContact O-N 3.4Å
249	I	95.3	Very high	92.9	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-65.2	-34.1	175.5	-72.9	-68.1	0	0	0	111.1	L75 L207 A211 L215 F217 L219 R245 A252 L253	L75-I249 HydrophobicContact CD1-CD1 4.32Å; L75-I249 HydrophobicContact CD2-CD1 3.85Å; L75-I249 HydrophobicContact CD2-CG1 4.07Å; L207-I249 HydrophobicContact CD1-CG2 4.21Å; L207-I249 HydrophobicContact CG-CG2 4.37Å; A211-I249 HydrophobicContact CB-CG2 3.72Å; L215-I249 HydrophobicContact CD1-CD1 3.92Å; L215-I249 HydrophobicContact CD1-CG2 4.44Å; F217-I249 HydrophobicContact CB-CD1 4.36Å; F217-I249 HydrophobicContact CD1-CD1 3.51Å; F217-I249 HydrophobicContact CD1-CG1 4.07Å; F217-I249 HydrophobicContact CE1-CD1 4.03Å; F217-I249 HydrophobicContact CE1-CG1 4.22Å; F217-I249 HydrophobicContact CG-CD1 4.04Å; L219-I249 HydrophobicContact CD1-CB 4.47Å; L219-I249 HydrophobicContact CD1-CG2 4.03Å; L219-I249 HydrophobicContact CD2-CG1 4.18Å; L219-I249 HydrophobicContact CG-CG1 4.47Å; R245-I249 VanDerWaalsContact O-CB 3.24Å; R245-I249 WeakPolarHBondContact O-CB 3.14Å; R245-I249 VanDerWaalsContact O-CG1 3.27Å; R245-I249 WeakPolarHBondContact O-CG1 3.35Å; R245-I249 PolarHBondContact O-N 3.4Å; I249-A252 PolarHBondContact O-N 3.12Å; I249-L253 HydrophobicContact CG2-CD1 3.73Å; I249-L253 HydrophobicContact CG2-CG 4.1Å; I249-L253 VanDerWaalsContact O-CB 3.27Å; I249-L253 WeakPolarHBondContact O-CB 3.21Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.35Å; I249-L253 PolarHBondContact O-N 3.09Å
250	S	96.3	Very high	91.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-42.3	177.4	-66.4	0	0	0	0	112.7	L189 L207 D246 A247 Q248 F254	L189-S250 WeakPolarHBondContact CD1-O 3.41Å; L207-S250 WeakPolarHBondContact CD1-OG 3.47Å; D246-S250 WeakPolarHBondContact O-CB 3.39Å; D246-S250 PolarHBondContact O-N 3.19Å; D246-S250 VanDerWaalsContact O-N 3.11Å; D246-S250 PolarHBondContact O-OG 2.81Å; A247-S250 WeakPolarHBondContact O-CB 3.35Å; A247-S250 PolarHBondContact O-N 3.29Å; A247-S250 VanDerWaalsContact O-N 3.15Å; Q248-S250 VanDerWaalsContact C-N 3.28Å; Q248-S250 PolarHBondContact O-N 3.11Å; S250-F254 PolarHBondContact O-N 2.7Å; S250-F254 VanDerWaalsContact O-N 3.09Å
251	V	94.1	Very high	89.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-74	-37.2	175.4	62.5	0	0	0	0	112.5	V104 A127 S128 V164 A247 Q248 L253 F254 L255	V104-V251 HydrophobicContact CG1-CG2 4.22Å; A127-V251 HydrophobicContact CB-CG1 4.07Å; S128-V251 WeakPolarHBondContact O-CG1 3.25Å; V164-V251 HydrophobicContact CG2-CB 4.46Å; A247-V251 PolarHBondContact O-N 2.98Å; Q248-V251 WeakPolarHBondContact O-CG1 3.36Å; Q248-V251 PolarHBondContact O-N 3.24Å; V251-L253 PolarHBondContact O-N 2.98Å; V251-F254 WeakPolarHBondContact O-CB 3.36Å; V251-F254 PolarHBondContact O-N 2.99Å; V251-L255 HydrophobicContact CG2-CD1 4.12Å; V251-L255 WeakPolarHBondContact O-CG 3.39Å; V251-L255 PolarHBondContact O-N 3.22Å; V251-L255 VanDerWaalsContact O-N 3.16Å
252	A	92.6	Very high	88	Confident	2 Å²	2	22.9 Å²	22.9	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-44.3	173.3	0	0	0	0	0	112.2	W70 I74 L215 Q248 I249 H256	W70-A252 HydrophobicContact CH2-CB 4.34Å; W70-A252 HydrophobicContact CZ3-CB 3.97Å; I74-A252 HydrophobicContact CD1-CB 4.11Å; I74-A252 HydrophobicContact CG2-CB 4.41Å; L215-A252 HydrophobicContact CD1-CB 3.81Å; Q248-A252 WeakPolarHBondContact O-CB 3.23Å; Q248-A252 PolarHBondContact O-N 3.4Å; I249-A252 PolarHBondContact O-N 3.12Å; A252-H256 WeakPolarHBondContact O-CB 3.42Å; A252-H256 PolarHBondContact O-N 2.68Å
253	L	92.9	Very high	85.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-47.1	174.4	-79.4	170.9	0	0	0	111.7	L189 L207 L210 V214 L215 I249 V251 L255 H256 L257	L189-L253 HydrophobicContact CD1-CB 4Å; L189-L253 HydrophobicContact CD1-CD1 4.16Å; L207-L253 HydrophobicContact CD1-CD1 3.65Å; L210-L253 HydrophobicContact CB-CD1 3.88Å; L210-L253 HydrophobicContact CB-CD2 4.16Å; V214-L253 HydrophobicContact CB-CD2 3.65Å; V214-L253 HydrophobicContact CG1-CD2 3.93Å; V214-L253 HydrophobicContact CG2-CD2 4.04Å; L215-L253 HydrophobicContact CD1-CD2 3.97Å; L215-L253 HydrophobicContact CD1-CG 3.89Å; L215-L253 HydrophobicContact CG-CD2 3.87Å; L215-L253 HydrophobicContact CG-CG 4.36Å; I249-L253 HydrophobicContact CG2-CD1 3.73Å; I249-L253 HydrophobicContact CG2-CG 4.1Å; I249-L253 VanDerWaalsContact O-CB 3.27Å; I249-L253 WeakPolarHBondContact O-CB 3.21Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.35Å; I249-L253 PolarHBondContact O-N 3.09Å; V251-L253 PolarHBondContact O-N 2.98Å; L253-L255 VanDerWaalsContact C-N 3.34Å; L253-L255 PolarHBondContact O-N 2.89Å; L253-H256 PolarHBondContact O-N 2.7Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 WeakPolarHBondContact O-CD1 3.42Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.4Å
254	F	94.1	Very high	83.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-52.5	-52.3	178.3	173	-105	0	0	0	112	V104 L162 V164 L187 L189 L192 S250 V251 L258 W276 V279	V104-F254 HydrophobicContact CB-CD1 4.31Å; V104-F254 HydrophobicContact CB-CE1 4.01Å; V104-F254 HydrophobicContact CG1-CD1 4.02Å; V104-F254 HydrophobicContact CG1-CE1 3.88Å; V104-F254 HydrophobicContact CG2-CD1 3.76Å; V104-F254 HydrophobicContact CG2-CE1 3.81Å; V104-F254 HydrophobicContact CG2-CG 4.26Å; V104-F254 HydrophobicContact CG2-CZ 4.35Å; L162-F254 HydrophobicContact CD1-CE2 4.04Å; L162-F254 HydrophobicContact CD1-CZ 3.66Å; V164-F254 HydrophobicContact CB-CB 4.28Å; V164-F254 HydrophobicContact CB-CD2 4.42Å; V164-F254 HydrophobicContact CB-CG 4.47Å; V164-F254 HydrophobicContact CG1-CB 4.22Å; V164-F254 HydrophobicContact CG1-CD2 3.55Å; V164-F254 HydrophobicContact CG1-CE2 4Å; V164-F254 HydrophobicContact CG1-CG 3.88Å; V164-F254 HydrophobicContact CG2-CB 3.92Å; V164-F254 HydrophobicContact CG2-CG 4.33Å; L187-F254 HydrophobicContact CD2-CD2 4.05Å; L187-F254 HydrophobicContact CD2-CE2 3.56Å; L189-F254 HydrophobicContact CD2-CB 3.76Å; L189-F254 HydrophobicContact CD2-CD2 4.39Å; L192-F254 HydrophobicContact CD1-CD2 3.57Å; L192-F254 HydrophobicContact CD1-CE2 3.93Å; S250-F254 PolarHBondContact O-N 2.7Å; S250-F254 VanDerWaalsContact O-N 3.09Å; V251-F254 WeakPolarHBondContact O-CB 3.36Å; V251-F254 PolarHBondContact O-N 2.99Å; F254-L258 HydrophobicContact CD1-CD1 4.05Å; F254-L258 HydrophobicContact CD2-CD1 3.82Å; F254-L258 HydrophobicContact CE1-CD1 3.62Å; F254-L258 HydrophobicContact CE2-CD1 3.38Å; F254-L258 HydrophobicContact CE2-CG 4.5Å; F254-L258 HydrophobicContact CG-CD1 4.15Å; F254-L258 HydrophobicContact CZ-CD1 3.27Å; F254-L258 WeakPolarHBondContact O-CD1 3.27Å; F254-L258 VanDerWaalsContact O-CG 3.26Å; F254-L258 WeakPolarHBondContact O-CG 3.47Å; F254-L258 PolarHBondContact O-N 3.37Å; F254-W276 AromaticContact CE1-CH2 3.88Å; F254-W276 HydrophobicContact CE1-CH2 3.88Å; F254-W276 HydrophobicContact CE1-CZ3 4.03Å; F254-W276 AromaticContact CZ-CH2 4Å; F254-W276 HydrophobicContact CZ-CH2 4Å; F254-W276 HydrophobicContact CZ-CZ3 4.36Å; F254-V279 HydrophobicContact CE1-CG1 4.21Å; F254-V279 HydrophobicContact CZ-CG1 3.65Å
255	L	89.6	Confident	80.9	Confident	6 Å²	6	42 Å²	42	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-68.6	-39.1	-176.6	-65.9	171.7	0	0	0	112.1	P129 V251 L253 L258 G259 Y260 F262	P129-L255 HydrophobicContact CB-CD1 4.28Å; V251-L255 HydrophobicContact CG2-CD1 4.12Å; V251-L255 WeakPolarHBondContact O-CG 3.39Å; V251-L255 PolarHBondContact O-N 3.22Å; V251-L255 VanDerWaalsContact O-N 3.16Å; L253-L255 VanDerWaalsContact C-N 3.34Å; L253-L255 PolarHBondContact O-N 2.89Å; L255-L258 PolarHBondContact O-N 2.89Å; L255-G259 PolarHBondContact O-N 3.01Å; L255-Y260 PolarHBondContact O-N 2.96Å; L255-Y260 VanDerWaalsContact O-N 3.17Å; L255-F262 HydrophobicContact CB-CE1 4.15Å; L255-F262 HydrophobicContact CB-CE2 3.89Å; L255-F262 HydrophobicContact CB-CZ 3.28Å; L255-F262 HydrophobicContact CD1-CE1 3.58Å; L255-F262 HydrophobicContact CD1-CZ 3.58Å; L255-F262 HydrophobicContact CG-CE1 4.47Å; L255-F262 HydrophobicContact CG-CZ 4.04Å
256	H	88.8	Confident	78.3	Confident	65 Å²	65	40.8 Å²	40.8	30%	0.301	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-47.6	175.6	-167.8	118.8	0	0	0	112.1	W70 V214 L215 A252 L253 L258 G259	W70-H256 HydrophobicContact CH2-CB 4.16Å; W70-H256 HydrophobicContact CZ2-CB 4.37Å; W70-H256 AromaticContact CZ2-ND1 3.77Å; V214-H256 HydrophobicContact CG1-CB 4.27Å; V214-H256 VanDerWaalsContact CG1-CD2 3.41Å; V214-H256 WeakPolarHBondContact CG1-CD2 3.35Å; L215-H256 HydrophobicContact CD2-CB 3.88Å; A252-H256 WeakPolarHBondContact O-CB 3.42Å; A252-H256 PolarHBondContact O-N 2.68Å; L253-H256 PolarHBondContact O-N 2.7Å; H256-L258 PolarHBondContact O-N 2.91Å; H256-L258 VanDerWaalsContact O-N 3.16Å; H256-G259 PolarHBondContact O-N 3.38Å
257	L	89.4	Confident	75.5	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-25.6	179.1	-69.2	170	0	0	0	112.5	L192 A193 L200 V214 L253	L192-L257 HydrophobicContact CB-CB 4.22Å; L192-L257 HydrophobicContact CB-CD1 3.91Å; A193-L257 HydrophobicContact CB-CD1 4.43Å; A193-L257 HydrophobicContact CB-CD2 4.35Å; L200-L257 HydrophobicContact CD1-CD2 4.24Å; V214-L257 HydrophobicContact CG1-CD2 4.29Å; V214-L257 HydrophobicContact CG2-CD2 4.09Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 WeakPolarHBondContact O-CD1 3.42Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.4Å
258	L	87.6	Confident	72.8	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.052	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7	176.6	-67.1	170.2	0	0	0	113.7	L192 F254 L255 H256 V279 K282	L192-L258 HydrophobicContact CD1-CD1 4.46Å; L192-L258 HydrophobicContact CD1-CD2 4.29Å; L192-L258 HydrophobicContact CD1-CG 4.23Å; L192-L258 HydrophobicContact CD2-CD2 4.3Å; F254-L258 HydrophobicContact CD1-CD1 4.05Å; F254-L258 HydrophobicContact CD2-CD1 3.82Å; F254-L258 HydrophobicContact CE1-CD1 3.62Å; F254-L258 HydrophobicContact CE2-CD1 3.38Å; F254-L258 HydrophobicContact CE2-CG 4.5Å; F254-L258 HydrophobicContact CG-CD1 4.15Å; F254-L258 HydrophobicContact CZ-CD1 3.27Å; F254-L258 WeakPolarHBondContact O-CD1 3.27Å; F254-L258 VanDerWaalsContact O-CG 3.26Å; F254-L258 WeakPolarHBondContact O-CG 3.47Å; F254-L258 PolarHBondContact O-N 3.37Å; L255-L258 PolarHBondContact O-N 2.89Å; H256-L258 PolarHBondContact O-N 2.91Å; H256-L258 VanDerWaalsContact O-N 3.16Å; L258-V279 HydrophobicContact CD1-CB 4.36Å; L258-V279 HydrophobicContact CD1-CG1 3.54Å; L258-V279 HydrophobicContact CD1-CG2 4.17Å; L258-K282 HydrophobicContact CD2-CB 3.53Å; L258-K282 HydrophobicContact CD2-CD 3.57Å; L258-K282 HydrophobicContact CD2-CG 4.21Å; L258-K282 PolarHBondContact O-NZ 2.92Å
259	G	79.5	Confident	70.3	Confident	60 Å²	60	58.3 Å²	58.3	62%	0.619	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	33.8	178.1	0	0	0	0	0	113.6	L255 H256	L255-G259 PolarHBondContact O-N 3.01Å; H256-G259 PolarHBondContact O-N 3.38Å
260	Y	71.2	Confident	67.9	Low	44 Å²	44	67.8 Å²	67.8	17%	0.173	38%	0.38	C	S	.	.			trans	-78.8	125.9	-178	-145.4	-82.1	0	0	0	111.5	F102 L255 F262 S275 V279	F102-Y260 HydrophobicContact CE1-CD2 4.48Å; F102-Y260 AromaticContact CE1-CE1 3.8Å; F102-Y260 HydrophobicContact CE1-CE1 3.8Å; F102-Y260 AromaticContact CE1-CE2 3.72Å; F102-Y260 HydrophobicContact CE1-CE2 3.72Å; F102-Y260 AromaticContact CE1-CZ 3.35Å; F102-Y260 WeakPolarHBondContact CE1-OH 3.47Å; F102-Y260 HydrophobicContact CE2-CE1 4.49Å; F102-Y260 HydrophobicContact CZ-CD1 4.42Å; F102-Y260 AromaticContact CZ-CE1 3.52Å; F102-Y260 HydrophobicContact CZ-CE1 3.52Å; F102-Y260 HydrophobicContact CZ-CE2 4.29Å; F102-Y260 AromaticContact CZ-CZ 3.46Å; F102-Y260 VanDerWaalsContact CZ-CZ 3.46Å; F102-Y260 WeakPolarHBondContact CZ-OH 3.43Å; L255-Y260 PolarHBondContact O-N 2.96Å; L255-Y260 VanDerWaalsContact O-N 3.17Å; Y260-F262 WeakPolarHBondContact O-CD2 3.33Å; Y260-F262 PolarHBondContact O-N 3.4Å; Y260-S275 WeakPolarHBondContact CE2-OG 3.48Å; Y260-S275 VanDerWaalsContact CZ-OG 3.3Å; Y260-S275 WeakPolarHBondContact OH-CB 3.27Å; Y260-S275 PolarHBondContact OH-OG 2.8Å; Y260-V279 HydrophobicContact CD2-CG2 4.26Å; Y260-V279 HydrophobicContact CE2-CG2 4.46Å
261	P	55	Low	65.8	Low	101 Å²	101	71.4 Å²	71.4	66%	0.656	40%	0.399	S	S	*	.			trans	-79	116.2	177.2	30.3	-32.5	0	0	0	110.8	S263	P261-S263 PolarHBondContact O-N 3.15Å; P261-S263 VanDerWaalsContact O-N 3.17Å
262	F	54.9	Low	63.9	Low	59 Å²	59	76.1 Å²	76.1	26%	0.259	42%	0.424	S	S	.	.			trans	-79.1	13.2	-175.6	-75.7	-93.9	0	0	0	115.7	W70 I74 L255 Y260 R264	W70-F262 HydrophobicContact CB-CB 3.89Å; W70-F262 HydrophobicContact CB-CD1 4.42Å; W70-F262 HydrophobicContact CB-CG 4.24Å; W70-F262 HydrophobicContact CD2-CB 3.96Å; W70-F262 AromaticContact CD2-CD1 3.79Å; W70-F262 HydrophobicContact CD2-CD1 3.79Å; W70-F262 AromaticContact CD2-CD2 3.44Å; W70-F262 HydrophobicContact CD2-CD2 3.44Å; W70-F262 VanDerWaalsContact CD2-CD2 3.44Å; W70-F262 AromaticContact CD2-CE1 3.97Å; W70-F262 HydrophobicContact CD2-CE1 3.97Å; W70-F262 AromaticContact CD2-CE2 3.66Å; W70-F262 HydrophobicContact CD2-CE2 3.66Å; W70-F262 AromaticContact CD2-CG 3.46Å; W70-F262 HydrophobicContact CD2-CG 3.46Å; W70-F262 VanDerWaalsContact CD2-CG 3.46Å; W70-F262 AromaticContact CD2-CZ 3.86Å; W70-F262 HydrophobicContact CD2-CZ 3.86Å; W70-F262 AromaticContact CE2-CD2 3.36Å; W70-F262 AromaticContact CE2-CE2 3.5Å; W70-F262 AromaticContact CE2-CG 3.9Å; W70-F262 AromaticContact CE3-CD1 3.63Å; W70-F262 HydrophobicContact CE3-CD1 3.63Å; W70-F262 AromaticContact CE3-CD2 3.83Å; W70-F262 HydrophobicContact CE3-CD2 3.83Å; W70-F262 AromaticContact CE3-CE1 3.37Å; W70-F262 HydrophobicContact CE3-CE1 3.37Å; W70-F262 AromaticContact CE3-CE2 3.61Å; W70-F262 HydrophobicContact CE3-CE2 3.61Å; W70-F262 AromaticContact CE3-CG 3.8Å; W70-F262 HydrophobicContact CE3-CG 3.8Å; W70-F262 AromaticContact CE3-CZ 3.32Å; W70-F262 HydrophobicContact CE3-CZ 3.32Å; W70-F262 HydrophobicContact CG-CB 3.56Å; W70-F262 HydrophobicContact CG-CD1 4.13Å; W70-F262 AromaticContact CG-CD2 3.96Å; W70-F262 HydrophobicContact CG-CD2 3.96Å; W70-F262 AromaticContact CG-CG 3.65Å; W70-F262 HydrophobicContact CG-CG 3.65Å; W70-F262 HydrophobicContact CH2-CD2 4.07Å; W70-F262 HydrophobicContact CH2-CE1 4.34Å; W70-F262 AromaticContact CH2-CE2 3.3Å; W70-F262 HydrophobicContact CH2-CE2 3.3Å; W70-F262 AromaticContact CH2-CZ 3.42Å; W70-F262 HydrophobicContact CH2-CZ 3.42Å; W70-F262 VanDerWaalsContact CH2-CZ 3.42Å; W70-F262 AromaticContact CZ2-CD2 3.7Å; W70-F262 HydrophobicContact CZ2-CD2 3.7Å; W70-F262 AromaticContact CZ2-CE2 3.34Å; W70-F262 HydrophobicContact CZ2-CE2 3.34Å; W70-F262 AromaticContact CZ2-CZ 3.94Å; W70-F262 HydrophobicContact CZ2-CZ 3.94Å; W70-F262 HydrophobicContact CZ3-CD1 4.28Å; W70-F262 HydrophobicContact CZ3-CD2 4.13Å; W70-F262 AromaticContact CZ3-CE1 3.6Å; W70-F262 HydrophobicContact CZ3-CE1 3.6Å; W70-F262 AromaticContact CZ3-CE2 3.44Å; W70-F262 HydrophobicContact CZ3-CE2 3.44Å; W70-F262 VanDerWaalsContact CZ3-CE2 3.44Å; W70-F262 HydrophobicContact CZ3-CG 4.47Å; W70-F262 AromaticContact CZ3-CZ 3.07Å; W70-F262 HydrophobicContact CZ3-CZ 3.07Å; W70-F262 AromaticContact NE1-CD2 3.83Å; I74-F262 HydrophobicContact CD1-CE1 4.3Å; L255-F262 HydrophobicContact CB-CE1 4.15Å; L255-F262 HydrophobicContact CB-CE2 3.89Å; L255-F262 HydrophobicContact CB-CZ 3.28Å; L255-F262 HydrophobicContact CD1-CE1 3.58Å; L255-F262 HydrophobicContact CD1-CZ 3.58Å; L255-F262 HydrophobicContact CG-CE1 4.47Å; L255-F262 HydrophobicContact CG-CZ 4.04Å; Y260-F262 WeakPolarHBondContact O-CD2 3.33Å; Y260-F262 PolarHBondContact O-N 3.4Å; F262-R264 PolarHBondContact O-N 2.82Å
263	S	48.6	Very low	62.2	Low	88 Å²	88	83.3 Å²	83.3	62%	0.615	46%	0.457	S	S	*	.			trans	-78.7	81.1	-175.6	-169.5	0	0	0	0	112	P261 N265	P261-S263 PolarHBondContact O-N 3.15Å; P261-S263 VanDerWaalsContact O-N 3.17Å; S263-N265 PolarHBondContact O-N 2.83Å; S263-N265 PolarHBondContact OG-ND2 2.97Å
264	R	48.6	Very low	60.7	Low	224 Å²	224	84.7 Å²	84.7	85%	0.845	47%	0.467	S	S	*	.			trans	-78.3	40.8	175.6	-152.7	176.4	142.8	148.6	1.1	112.6	F262	F262-R264 PolarHBondContact O-N 2.82Å
265	N	40.2	Very low	59.9	Low	101 Å²	101	86 Å²	86	54%	0.54	48%	0.476	S	S	.	.			trans	-103.2	5.4	-166.4	-71.7	-53	0	0	0	115.3	S263	S263-N265 PolarHBondContact O-N 2.83Å; S263-N265 PolarHBondContact OG-ND2 2.97Å
266	S	38.3	Very low	59.6	Low	71 Å²	71	87.4 Å²	87.4	50%	0.497	48%	0.481	S	S	.	.			trans	-116.7	99	177.4	-62.8	0	0	0	0	110.4	G268	S266-G268 PolarHBondContact O-N 3.25Å
267	P	35.8	Very low	59.5	Low	143 Å²	143	92.2 Å²	92.2	93%	0.929	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	80.8	174.1	30.5	-33.7	0	0	0	109.9
268	G	39.4	Very low	59.3	Low	71 Å²	71	97 Å²	97	73%	0.732	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	170.1	-26.6	-178.3	0	0	0	0	0	115.1	S266 K270	S266-G268 PolarHBondContact O-N 3.25Å; G268-K270 PolarHBondContact O-N 3.1Å
269	E	43.9	Very low	59.3	Low	161 Å²	161	96.9 Å²	96.9	75%	0.752	52%	0.516	S	S	*	.			trans	-80.3	103.1	176.5	-68.9	-171.1	161.7	0	0	110.5	N271	E269-N271 PolarHBondContact O-N 3.01Å
270	K	45	Very low	59.8	Low	202 Å²	202	97.6 Å²	97.6	88%	0.878	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-61.8	126.1	167.7	-69.4	-179.3	177	179.3	0	108.6	G268 D272	G268-K270 PolarHBondContact O-N 3.1Å; K270-D272 PolarHBondContact O-N 3.17Å; K270-D272 VanDerWaalsContact O-N 3.1Å
271	N	52	Low	60.7	Low	77 Å²	77	101.9 Å²	101.9	41%	0.412	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-50.9	118	176.1	-85.7	-42.9	0	0	0	110.5	D101 E269 H273	D101-N271 PolarHBondContact OD1-ND2 2.93Å; E269-N271 PolarHBondContact O-N 3.01Å; N271-H273 PolarHBondContact O-N 2.9Å
272	D	54.7	Low	62.3	Low	99 Å²	99	102.1 Å²	102.1	53%	0.529	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-69.7	118	177.8	178	8.9	0	0	0	109.8	K270 S274 S275	K270-D272 PolarHBondContact O-N 3.17Å; K270-D272 VanDerWaalsContact O-N 3.1Å; D272-S274 VanDerWaalsContact CG-OG 3.23Å; D272-S274 PolarHBondContact O-N 3.05Å; D272-S274 WeakPolarHBondContact OD1-CB 3.34Å; D272-S274 PolarHBondContact OD1-N 3.15Å; D272-S274 WeakPolarHBondContact OD2-CB 3.15Å; D272-S274 PolarHBondContact OD2-OG 3.47Å; D272-S275 WeakPolarHBondContact O-CB 3.25Å; D272-S275 PolarHBondContact O-N 3.4Å
273	H	57.5	Low	64.1	Low	154 Å²	154	99.3 Å²	99.3	71%	0.713	51%	0.506	S	S	*	.	H	α-helix	trans	-57.7	-10.6	172.9	-71.5	-60.4	0	0	0	113.7	N271 S275 R277	N271-H273 PolarHBondContact O-N 2.9Å; H273-S275 VanDerWaalsContact C-N 3.27Å; H273-R277 PolarHBondContact O-NE 3.16Å; H273-R277 VanDerWaalsContact O-NE 3.15Å
274	S	61.5	Low	66.2	Low	28 Å²	28	101.9 Å²	101.9	20%	0.196	51%	0.508	C	S	.	.	H	α-helix	trans	-65.9	-29.6	166.5	94.2	0	0	0	0	112.6	D272 R277 K278	D272-S274 VanDerWaalsContact CG-OG 3.23Å; D272-S274 PolarHBondContact O-N 3.05Å; D272-S274 WeakPolarHBondContact OD1-CB 3.34Å; D272-S274 PolarHBondContact OD1-N 3.15Å; D272-S274 WeakPolarHBondContact OD2-CB 3.15Å; D272-S274 PolarHBondContact OD2-OG 3.47Å; S274-R277 PolarHBondContact O-N 3.09Å; S274-K278 WeakPolarHBondContact O-CG 3.45Å; S274-K278 PolarHBondContact O-N 3.31Å; S274-K278 VanDerWaalsContact O-N 3.15Å; S274-K278 PolarHBondContact OG-NZ 3.43Å
275	S	75.3	Confident	68.3	Low	29 Å²	29	94.2 Å²	94.2	20%	0.203	50%	0.499	C	S	.	.	H	α-helix	trans	-70.6	-49.2	-174.2	-158.1	0	0	0	0	112	Y260 D272 H273 R277 K278 V279	Y260-S275 WeakPolarHBondContact CE2-OG 3.48Å; Y260-S275 VanDerWaalsContact CZ-OG 3.3Å; Y260-S275 WeakPolarHBondContact OH-CB 3.27Å; Y260-S275 PolarHBondContact OH-OG 2.8Å; D272-S275 WeakPolarHBondContact O-CB 3.25Å; D272-S275 PolarHBondContact O-N 3.4Å; H273-S275 VanDerWaalsContact C-N 3.27Å; S275-R277 VanDerWaalsContact C-N 3.3Å; S275-R277 PolarHBondContact O-N 3.35Å; S275-K278 WeakPolarHBondContact O-CB 3.12Å; S275-K278 PolarHBondContact O-N 2.96Å; S275-V279 PolarHBondContact O-N 3.1Å
276	W	84.9	Confident	70.8	Confident	34 Å²	34	89.8 Å²	89.8	13%	0.129	48%	0.476	C	S	.	.	H	α-helix	trans	-66.1	-31.3	174.8	-170.2	-117.1	0	0	0	112.7	F102 P103 V104 L162 F254 K278 V279 L280	F102-W276 AromaticContact CD1-CE3 3.82Å; F102-W276 HydrophobicContact CD1-CE3 3.82Å; F102-W276 HydrophobicContact CD1-CZ3 4.08Å; P103-W276 HydrophobicContact CG-CZ2 3.78Å; V104-W276 HydrophobicContact CB-CH2 4.08Å; V104-W276 HydrophobicContact CG1-CH2 4.2Å; L162-W276 HydrophobicContact CD1-CH2 4.08Å; L162-W276 HydrophobicContact CD1-CZ2 3.99Å; L162-W276 HydrophobicContact CG-CZ2 4.38Å; F254-W276 AromaticContact CE1-CH2 3.88Å; F254-W276 HydrophobicContact CE1-CH2 3.88Å; F254-W276 HydrophobicContact CE1-CZ3 4.03Å; F254-W276 AromaticContact CZ-CH2 4Å; F254-W276 HydrophobicContact CZ-CH2 4Å; F254-W276 HydrophobicContact CZ-CZ3 4.36Å; W276-K278 PolarHBondContact O-N 3.48Å; W276-V279 HydrophobicContact CD2-CB 4.29Å; W276-V279 HydrophobicContact CD2-CG1 4.32Å; W276-V279 HydrophobicContact CE3-CB 3.76Å; W276-V279 HydrophobicContact CE3-CG1 3.72Å; W276-V279 HydrophobicContact CE3-CG2 4.02Å; W276-V279 HydrophobicContact CH2-CG1 3.8Å; W276-V279 HydrophobicContact CZ2-CG1 4.38Å; W276-V279 HydrophobicContact CZ3-CB 4.02Å; W276-V279 HydrophobicContact CZ3-CG1 3.44Å; W276-V279 VanDerWaalsContact CZ3-CG1 3.44Å; W276-V279 HydrophobicContact CZ3-CG2 4.27Å; W276-V279 WeakPolarHBondContact O-CB 3.46Å; W276-V279 PolarHBondContact O-N 2.94Å; W276-V279 VanDerWaalsContact O-N 3.14Å; W276-L280 HydrophobicContact CZ2-CD2 4.27Å; W276-L280 WeakPolarHBondContact O-CG 3.34Å; W276-L280 PolarHBondContact O-N 3.35Å
277	R	85.4	Confident	73.5	Confident	166 Å²	166	88.7 Å²	88.7	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-60.2	-43.2	172.2	-94.1	179.9	-81.4	170.3	-10.6	112.4	H273 S274 S275 V279 L280 E281	H273-R277 PolarHBondContact O-NE 3.16Å; H273-R277 VanDerWaalsContact O-NE 3.15Å; S274-R277 PolarHBondContact O-N 3.09Å; S275-R277 VanDerWaalsContact C-N 3.3Å; S275-R277 PolarHBondContact O-N 3.35Å; R277-V279 VanDerWaalsContact C-N 3.29Å; R277-V279 PolarHBondContact O-N 3.38Å; R277-L280 PolarHBondContact O-N 2.88Å; R277-E281 PolarHBondContact O-N 2.78Å
278	K	86.1	Confident	76.3	Confident	115 Å²	115	84.9 Å²	84.9	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-34.2	173.7	-67.4	159.5	-176.9	158.6	0	112.2	S274 S275 W276 K282	S274-K278 WeakPolarHBondContact O-CG 3.45Å; S274-K278 PolarHBondContact O-N 3.31Å; S274-K278 VanDerWaalsContact O-N 3.15Å; S274-K278 PolarHBondContact OG-NZ 3.43Å; S275-K278 WeakPolarHBondContact O-CB 3.12Å; S275-K278 PolarHBondContact O-N 2.96Å; W276-K278 PolarHBondContact O-N 3.48Å; K278-K282 WeakPolarHBondContact O-CG 3.13Å; K278-K282 PolarHBondContact O-N 2.99Å; K278-K282 VanDerWaalsContact O-N 3.12Å
279	V	87.8	Confident	78.8	Confident	7 Å²	7	85.4 Å²	85.4	4%	0.042	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-49.1	172.6	166.8	0	0	0	0	111.1	F254 L258 Y260 S275 W276 R277 E281 K282 C283	F254-V279 HydrophobicContact CE1-CG1 4.21Å; F254-V279 HydrophobicContact CZ-CG1 3.65Å; L258-V279 HydrophobicContact CD1-CB 4.36Å; L258-V279 HydrophobicContact CD1-CG1 3.54Å; L258-V279 HydrophobicContact CD1-CG2 4.17Å; Y260-V279 HydrophobicContact CD2-CG2 4.26Å; Y260-V279 HydrophobicContact CE2-CG2 4.46Å; S275-V279 PolarHBondContact O-N 3.1Å; W276-V279 HydrophobicContact CD2-CB 4.29Å; W276-V279 HydrophobicContact CD2-CG1 4.32Å; W276-V279 HydrophobicContact CE3-CB 3.76Å; W276-V279 HydrophobicContact CE3-CG1 3.72Å; W276-V279 HydrophobicContact CE3-CG2 4.02Å; W276-V279 HydrophobicContact CH2-CG1 3.8Å; W276-V279 HydrophobicContact CZ2-CG1 4.38Å; W276-V279 HydrophobicContact CZ3-CB 4.02Å; W276-V279 HydrophobicContact CZ3-CG1 3.44Å; W276-V279 VanDerWaalsContact CZ3-CG1 3.44Å; W276-V279 HydrophobicContact CZ3-CG2 4.27Å; W276-V279 WeakPolarHBondContact O-CB 3.46Å; W276-V279 PolarHBondContact O-N 2.94Å; W276-V279 VanDerWaalsContact O-N 3.14Å; R277-V279 VanDerWaalsContact C-N 3.29Å; R277-V279 PolarHBondContact O-N 3.38Å; V279-E281 VanDerWaalsContact C-N 3.31Å; V279-E281 PolarHBondContact O-N 2.63Å; V279-K282 WeakPolarHBondContact O-CB 3.22Å; V279-K282 PolarHBondContact O-N 3.12Å; V279-K282 VanDerWaalsContact O-N 3.16Å; V279-C283 PolarHBondContact O-N 3Å; V279-C283 PolarHBondContact O-SG 3.44Å
280	L	89.4	Confident	81	Confident	75 Å²	75	80.2 Å²	80.2	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-38	179.3	-67.3	176.3	0	0	0	112.4	L162 W276 R277 C283 Q284	L162-L280 HydrophobicContact CD1-CD2 4.31Å; W276-L280 HydrophobicContact CZ2-CD2 4.27Å; W276-L280 WeakPolarHBondContact O-CG 3.34Å; W276-L280 PolarHBondContact O-N 3.35Å; R277-L280 PolarHBondContact O-N 2.88Å; L280-C283 CarbonylContact O-C 3.59Å; L280-C283 PolarHBondContact O-N 3.12Å; L280-C283 VanDerWaalsContact O-N 3.12Å; L280-Q284 PolarHBondContact O-N 3.18Å
281	E	90	Very high	83.1	Confident	135 Å²	135	71.7 Å²	71.7	63%	0.631	37%	0.366	S	S	*	.	H	α-helix	trans	-59.1	-48.6	172	-175	179.7	-167.8	0	0	111.5	R277 V279 C283 Q284	R277-E281 PolarHBondContact O-N 2.78Å; V279-E281 VanDerWaalsContact C-N 3.31Å; V279-E281 PolarHBondContact O-N 2.63Å; E281-C283 PolarHBondContact O-N 2.87Å; E281-Q284 VanDerWaalsContact O-CB 3.29Å; E281-Q284 WeakPolarHBondContact O-CB 3.27Å; E281-Q284 PolarHBondContact O-N 2.92Å
282	K	89.5	Confident	84.7	Confident	105 Å²	105	78.2 Å²	78.2	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-22.7	173.8	-72.2	-179.3	-177	-172.6	0	113.6	R195 L258 K278 V279	R195-K282 PolarHBondContact NH1-O 2.74Å; L258-K282 HydrophobicContact CD2-CB 3.53Å; L258-K282 HydrophobicContact CD2-CD 3.57Å; L258-K282 HydrophobicContact CD2-CG 4.21Å; L258-K282 PolarHBondContact O-NZ 2.92Å; K278-K282 WeakPolarHBondContact O-CG 3.13Å; K278-K282 PolarHBondContact O-N 2.99Å; K278-K282 VanDerWaalsContact O-N 3.12Å; V279-K282 WeakPolarHBondContact O-CB 3.22Å; V279-K282 PolarHBondContact O-N 3.12Å; V279-K282 VanDerWaalsContact O-N 3.16Å
283	C	92.5	Very high	85.2	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.007	39%	0.39	C	S	.	.	H	α-helix	trans	-92.2	-6.6	175.9	-59.8	0	0	0	0	113.7	L187 V279 L280 E281 G285 V286 V287	L187-C283 HydrophobicContact CD2-CB 4.02Å; L187-C283 VanDerWaalsContact CD2-SG 3.52Å; V279-C283 PolarHBondContact O-N 3Å; V279-C283 PolarHBondContact O-SG 3.44Å; L280-C283 CarbonylContact O-C 3.59Å; L280-C283 PolarHBondContact O-N 3.12Å; L280-C283 VanDerWaalsContact O-N 3.12Å; E281-C283 PolarHBondContact O-N 2.87Å; C283-G285 PolarHBondContact O-N 2.82Å; C283-V286 WeakPolarHBondContact O-CG2 3.31Å; C283-V286 PolarHBondContact O-N 3.24Å; C283-V287 HydrophobicContact CB-CG2 4.08Å
284	Q	91.6	Very high	84.9	Confident	141 Å²	141	80.4 Å²	80.4	66%	0.659	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	137	-173.6	-167.8	175.2	-0.7	0	0	111.9	R195 L280 E281 V286	R195-Q284 PolarHBondContact NH1-O 3.45Å; R195-Q284 PolarHBondContact NH2-O 2.76Å; L280-Q284 PolarHBondContact O-N 3.18Å; E281-Q284 VanDerWaalsContact O-CB 3.29Å; E281-Q284 WeakPolarHBondContact O-CB 3.27Å; E281-Q284 PolarHBondContact O-N 2.92Å; Q284-V286 VanDerWaalsContact C-N 3.32Å; Q284-V286 PolarHBondContact O-N 2.83Å
285	G	92.8	Very high	83.7	Confident	64 Å²	64	81.9 Å²	81.9	66%	0.66	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	3.2	178.7	0	0	0	0	0	115.8	C283	C283-G285 PolarHBondContact O-N 2.82Å
286	V	93.4	Very high	81.7	Confident	8 Å²	8	90 Å²	90	5%	0.048	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-5.1	178	-71.4	0	0	0	0	114.5	L187 Y191 C283 Q284	L187-V286 HydrophobicContact CD1-CB 4.04Å; L187-V286 HydrophobicContact CD1-CG2 3.56Å; Y191-V286 HydrophobicContact CD1-CB 4.48Å; Y191-V286 HydrophobicContact CD1-CG1 3.7Å; Y191-V286 HydrophobicContact CD2-CB 3.87Å; Y191-V286 HydrophobicContact CD2-CG1 3.98Å; Y191-V286 HydrophobicContact CE1-CG1 4.2Å; Y191-V286 HydrophobicContact CE2-CB 4.49Å; Y191-V286 HydrophobicContact CE2-CG1 4.45Å; Y191-V286 HydrophobicContact CG-CB 3.87Å; Y191-V286 HydrophobicContact CG-CG1 3.58Å; C283-V286 WeakPolarHBondContact O-CG2 3.31Å; C283-V286 PolarHBondContact O-N 3.24Å; Q284-V286 VanDerWaalsContact C-N 3.32Å; Q284-V286 PolarHBondContact O-N 2.83Å
287	V	94.8	Very high	79.1	Confident	47 Å²	47	93.4 Å²	93.4	29%	0.285	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-74.8	137.6	170.2	-178.1	0	0	0	0	110.7	L162 C186 L187 C283 I289	L162-V287 HydrophobicContact CD2-CG1 4.14Å; L162-V287 HydrophobicContact CD2-CG2 3.9Å; C186-V287 CarbonylContact O-C 3.53Å; C186-V287 WeakPolarHBondContact O-CA 3.29Å; L187-V287 HydrophobicContact CB-CG2 4.5Å; L187-V287 HydrophobicContact CD1-CG2 4.25Å; C283-V287 HydrophobicContact CB-CG2 4.08Å; V287-I289 PolarHBondContact O-N 3.43Å
288	D	93.8	Very high	76.3	Confident	64 Å²	64	97.1 Å²	97.1	34%	0.342	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	22.9	-173.7	-65.1	-39	0	0	0	114.3	G185 C186	G185-D288 PolarHBondContact N-OD1 2.81Å; G185-D288 PolarHBondContact N-OD2 2.92Å; C186-D288 PolarHBondContact N-OD1 3.5Å; C186-D288 PolarHBondContact O-N 2.81Å
289	I	92.6	Very high	73.7	Confident	81 Å²	81	100.4 Å²	100.4	42%	0.415	52%	0.521	S	S	.	.			trans	-103.6	115.9	175	-54.2	-54	0	0	0	110.3	Y191 V287 F291	Y191-I289 HydrophobicContact CE2-CB 4.48Å; Y191-I289 HydrophobicContact CE2-CG2 4.38Å; V287-I289 PolarHBondContact O-N 3.43Å; I289-F291 PolarHBondContact O-N 3.31Å
290	P	91.3	Very high	70.8	Confident	52 Å²	52	103.3 Å²	103.3	34%	0.338	55%	0.553	S	S	.	*			trans	-62.1	126.3	174.5	-25.5	35.6	0	0	0	112.3	S169 Y191 R292	S169-P290 WeakPolarHBondContact OG-CB 3.4Å; Y191-P290 PolarHBondContact OH-O 3.32Å; P290-R292 PolarHBondContact O-N 2.84Å
291	F	88.8	Confident	68	Low	24 Å²	24	109.3 Å²	109.3	11%	0.105	58%	0.579	C	S	.	*			trans	-66.3	122.6	-178.3	-172.9	-87.3	0	0	0	111.3	D188 R190 Y191 M194 L205 I289	D188-F291 HydrophobicContact CB-CB 4.03Å; R190-F291 HydrophobicContact CB-CD1 4.47Å; R190-F291 HydrophobicContact CB-CD2 3.64Å; R190-F291 HydrophobicContact CB-CE1 4.23Å; R190-F291 HydrophobicContact CB-CE2 3.36Å; R190-F291 HydrophobicContact CB-CG 4.2Å; R190-F291 HydrophobicContact CB-CZ 3.68Å; R190-F291 VanDerWaalsContact CZ-CD1 3.48Å; Y191-F291 AromaticContact CD1-CD2 3.93Å; Y191-F291 HydrophobicContact CD1-CD2 3.93Å; Y191-F291 HydrophobicContact CD1-CE2 4.04Å; Y191-F291 AromaticContact CD2-CD2 3.8Å; Y191-F291 HydrophobicContact CD2-CD2 3.8Å; Y191-F291 AromaticContact CE1-CD2 3.8Å; Y191-F291 HydrophobicContact CE1-CD2 3.8Å; Y191-F291 HydrophobicContact CE1-CE2 4.09Å; Y191-F291 HydrophobicContact CE2-CB 4Å; Y191-F291 AromaticContact CE2-CD2 3.67Å; Y191-F291 HydrophobicContact CE2-CD2 3.67Å; Y191-F291 HydrophobicContact CE2-CG 4.3Å; Y191-F291 AromaticContact CG-CD2 3.93Å; Y191-F291 HydrophobicContact CG-CD2 3.93Å; Y191-F291 HydrophobicContact CG-CE2 4.3Å; Y191-F291 AromaticContact CZ-CD2 3.67Å; M194-F291 HydrophobicContact SD-CE2 3.68Å; M194-F291 HydrophobicContact SD-CZ 3.62Å; L205-F291 HydrophobicContact CD1-CZ 4.3Å; I289-F291 PolarHBondContact O-N 3.31Å
292	R	85.9	Confident	65.1	Low	214 Å²	214	111.6 Å²	111.6	81%	0.808	59%	0.589	S	S	*	*			trans	-107.4	107.3	173.9	-63.3	-172.7	-176	-157.6	2.1	109.8	P290 K294	P290-R292 PolarHBondContact O-N 2.84Å; R292-K294 PolarHBondContact O-N 3.37Å
293	S	64.5	Low	62.2	Low	92 Å²	92	112.3 Å²	112.3	64%	0.643	60%	0.602	S	S	*	*			trans	-54.1	111.8	165.6	-56	0	0	0	0	109.1	G295	S293-G295 PolarHBondContact O-N 2.84Å
294	K	50.8	Low	59.1	Low	206 Å²	206	120.1 Å²	120.1	90%	0.896	64%	0.644	S	S	*	*			trans	-63.1	104.4	169.1	-84	-170.6	173.6	-173.6	0	107.5	R292	R292-K294 PolarHBondContact O-N 3.37Å
295	G	36.8	Very low	55.9	Low	59 Å²	59	116.7 Å²	116.7	61%	0.608	65%	0.646	S	S	*	*			trans	-61.1	148	168.2	0	0	0	0	0	110.2	S293 S297	S293-G295 PolarHBondContact O-N 2.84Å; G295-S297 PolarHBondContact O-N 3.44Å
296	M	33.9	Very low	52.6	Low	199 Å²	199	123 Å²	123	98%	0.98	66%	0.658	S	S	*	*			trans	-67.4	72.4	171.1	-67.2	163.6	58.4	0	0	110.5
297	S	28.6	Very low	49.3	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	69%	0.69	S	S	*	*			trans	-117	91	176	-77.1	0	0	0	0	110.1	G295	G295-S297 PolarHBondContact O-N 3.44Å
298	R	28.5	Very low	46	Very low	244 Å²	244	131.2 Å²	131.2	92%	0.921	72%	0.718	S	S	*	*			trans	55.8	127.8	156.5	-60	-175.6	178.2	-174.5	-1.9	118.4
299	L	30.9	Very low	42.7	Very low	183 Å²	183	137 Å²	137	96%	0.958	74%	0.743	S	S	*	*			trans	-65.2	159.2	158.8	-80.2	79.5	0	0	0	110.6
300	G	26.9	Very low	39.4	Very low	68 Å²	68	139 Å²	139	70%	0.701	76%	0.764	S	S	*	*			trans	110.7	119.6	179.1	0	0	0	0	0	111.2
301	E	29.3	Very low	36.3	Very low	201 Å²	201	144.7 Å²	144.7	94%	0.939	79%	0.786	S	S	*	*			cis	-142.5	174.4	0.8	-77.5	171.8	114.9	0	0	110.5
302	E	30.1	Very low	33.3	Very low	184 Å²	184	152.3 Å²	152.3	86%	0.86	82%	0.822	S	S	*	*			trans	-89.4	152.7	-173.4	-68.9	-173.1	145.2	0	0	114.6
303	V	28.9	Very low	30.4	Very low	120 Å²	120	151.9 Å²	151.9	73%	0.727	83%	0.826	S	S	*	*			trans	38.6	109.8	140.9	-175	0	0	0	0	119.7
304	N	26.5	Very low	28.5	Very low	164 Å²	164	153.6 Å²	153.6	88%	0.877	84%	0.835	S	S	*	*				-176	155.5	124	-89.4	-38.9	0	0	0	106
305	G	24.3	Very low	27.2	Very low	69 Å²	69	153.3 Å²	153.3	71%	0.711	83%	0.834	S	S	*	*			cis	160.2	159.9	17.9	0	0	0	0	0	105
306	E	24.2	Very low	26.7	Very low	196 Å²	196	159.4 Å²	159.4	92%	0.916	85%	0.846	S	S	*	*			trans	-74.4	164.1	-163.1	-63.3	175.7	115.7	0	0	116.5
307	A	24.2	Very low	26.3	Very low	85 Å²	85	160.1 Å²	160.1	70%	0.702	84%	0.843	S	S	*	*			trans	105.4	136.9	135.8	0	0	0	0	0	121.7
308	T	24.3	Very low	26.1	Very low	143 Å²	143	165.1 Å²	165.1	88%	0.877	85%	0.852	S	S	*	*			trans	78.7	144.7	150	44.6	0	0	0	0	122.4
309	E	24.8	Very low	25.9	Very low	186 Å²	186	159.5 Å²	159.5	87%	0.869	85%	0.85	S	S	*	*			trans	-73.6	152.3	-178.7	-53.4	168.4	113.6	0	0	112
310	S	24.1	Very low	25.7	Very low	123 Å²	123	160.3 Å²	160.3	86%	0.86	85%	0.846	S	S	*	*				172.4	175.8	115.3	50.9	0	0	0	0	111.7
311	Q	25.8	Very low	25.5	Very low	171 Å²	171	164.9 Å²	164.9	80%	0.799	85%	0.851	S	S	*	*			trans	-80.1	142.9	-169.8	-54.4	164.3	7.3	0	0	111.5
312	Q	25.3	Very low	25.4	Very low	185 Å²	185	162.6 Å²	162.6	86%	0.864	85%	0.845	S	S	*	*				169.7	147.1	118.6	-89.9	167.6	37.8	0	0	112.2
313	K	25.4	Very low	25.1	Very low	205 Å²	205	157.7 Å²	157.7	89%	0.891	84%	0.844	S	S	*	*			trans	-82.2	148.9	166.5	-68.5	174.9	177	172.4	0	109.9
314	P	25.2	Very low	24.9	Very low	127 Å²	127	160.4 Å²	160.4	83%	0.825	85%	0.851	S	S	*	*			trans	-128.8	170.8	134.9	19.7	-0.6	0	0	0	114.2
315	K	23.3	Very low	24.8	Very low	200 Å²	200	159.1 Å²	159.1	87%	0.87	85%	0.848	S	S	*	*			trans	-91	155.9	-171.6	-64.2	170.7	177.3	173.8	0	112.6
316	H	26.2	Very low	25.1	Very low	187 Å²	187	161.8 Å²	161.8	87%	0.866	85%	0.853	S	S	*	*			trans	1.7	129.2	157.5	-75.9	-91.9	0	0	0	120.3
317	K	26	Very low	25.2	Very low	214 Å²	214	155 Å²	155	93%	0.93	84%	0.836	S	S	*	*				-154.8	144.9	123.2	-115.7	176	-179	-179.8	0	111.3
318	K	24.6	Very low	25.4	Very low	212 Å²	212	158.6 Å²	158.6	92%	0.922	84%	0.843	S	S	*	*			trans	-106.8	146.8	168.2	-95.5	-175.1	172.2	-176.5	0	108.4
319	S	23.6	Very low	25.5	Very low	127 Å²	127	160.4 Å²	160.4	89%	0.888	84%	0.841	S	S	*	*			trans	-129.4	161.7	157.7	48.1	0	0	0	0	109.6
320	K	25.9	Very low	25.8	Very low	199 Å²	199	160 Å²	160	87%	0.865	84%	0.84	S	S	*	*			trans	-111.7	-178.6	-164.6	-110.3	-169	176.9	-167.6	0	112.1
321	M	24.4	Very low	25.9	Very low	164 Å²	164	157.6 Å²	157.6	81%	0.808	83%	0.834	S	S	*	*			trans	82.4	142.9	170.5	-66.9	158.6	62.4	0	0	117.4
322	D	25.6	Very low	26	Very low	154 Å²	154	161.2 Å²	161.2	82%	0.824	84%	0.84	S	S	*	*			cis	-165.4	155.8	-32.8	-105.7	-13.4	0	0	0	108.4
323	G	24.9	Very low	26.3	Very low	80 Å²	80	155.6 Å²	155.6	83%	0.825	82%	0.816	S	S	*	*			trans	161.4	119	176.3	0	0	0	0	0	114.2
324	M	23.5	Very low	26.6	Very low	177 Å²	177	151.8 Å²	151.8	87%	0.872	81%	0.812	S	S	*	*			trans	-107.2	152.7	-160.4	-172.4	156.5	69.9	0	0	114.3
325	V	25.5	Very low	27.4	Very low	137 Å²	137	155.5 Å²	155.5	83%	0.83	81%	0.81	S	S	*	*			trans	170.1	142.3	138.3	150.4	0	0	0	0	109.7
326	P	30.5	Very low	27.8	Very low	126 Å²	126	154.9 Å²	154.9	82%	0.818	81%	0.807	S	S	*	*			trans	-100.2	149.6	-148.6	36.9	-34	0	0	0	116
327	G	25.2	Very low	28.2	Very low	53 Å²	53	153.8 Å²	153.8	55%	0.546	80%	0.802	S	S	.	*			trans	-151.6	86.5	179.3	0	0	0	0	0	114.5	H329	G327-H329 PolarHBondContact O-N 2.99Å; G327-H329 PolarHBondContact O-ND1 3.25Å
328	N	28.6	Very low	28.5	Very low	160 Å²	160	153.5 Å²	153.5	86%	0.856	80%	0.801	S	S	*	*			trans	21.8	80.2	160.2	-151.1	8.8	0	0	0	117.3	Q330	N328-Q330 PolarHBondContact O-N 3.42Å
329	H	26.9	Very low	29.3	Very low	181 Å²	181	151.7 Å²	151.7	84%	0.838	79%	0.788	S	S	*	*			trans	-86.3	87.7	177.8	-71.1	-23.3	0	0	0	112.7	G327 G331	G327-H329 PolarHBondContact O-N 2.99Å; G327-H329 PolarHBondContact O-ND1 3.25Å; H329-G331 PolarHBondContact O-N 2.86Å
330	Q	30.6	Very low	29.7	Very low	179 Å²	179	153.5 Å²	153.5	84%	0.836	78%	0.78	S	S	*	*			trans	-60.1	120.4	151	-74	-174.8	-5.3	0	0	108.3	N328 R332	N328-Q330 PolarHBondContact O-N 3.42Å; Q330-R332 PolarHBondContact O-N 3.29Å
331	G	26.3	Very low	30.1	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	77%	0.767	S	S	*	*			trans	-57	127.8	-176	0	0	0	0	0	111.9	H329 D333	H329-G331 PolarHBondContact O-N 2.86Å; G331-D333 PolarHBondContact O-N 3.2Å
332	R	27.6	Very low	30.6	Very low	247 Å²	247	143.3 Å²	143.3	93%	0.932	74%	0.743	S	S	*	*			trans	-60.6	113.3	171.3	-95.2	-176.9	172.1	171.2	-0.5	109.3	Q330 P334	Q330-R332 PolarHBondContact O-N 3.29Å; R332-P334 WeakPolarHBondContact O-CD 3.31Å
333	D	32.1	Very low	31.5	Very low	68 Å²	68	139.5 Å²	139.5	36%	0.364	74%	0.74	S	S	.	*			trans	-55.7	119.8	177.5	-167.7	-27.6	0	0	0	111.6	G331 R335 K336	G331-D333 PolarHBondContact O-N 3.2Å; D333-R335 PolarHBondContact O-N 3.25Å; D333-R335 VanDerWaalsContact O-N 3.11Å; D333-R335 WeakPolarHBondContact OD1-CB 3.38Å; D333-R335 VanDerWaalsContact OD1-CG 3.28Å; D333-R335 WeakPolarHBondContact OD1-CG 3.27Å; D333-R335 IonicContact OD1-CZ 3.43Å; D333-R335 PolarHBondContact OD1-N 3.42Å; D333-R335 IonicContact OD1-NE 3.88Å; D333-R335 PolarHBondContact OD1-NE 3.35Å; D333-R335 IonicContact OD1-NH2 2.73Å; D333-R335 IonicContact OD2-CZ 3.16Å; D333-R335 IonicContact OD2-NE 3.91Å; D333-R335 PolarHBondContact OD2-NE 2.86Å; D333-R335 IonicContact OD2-NH2 2.82Å; D333-R335 PolarHBondContact OD2-NH2 3.27Å; D333-K336 PolarHBondContact O-N 3.44Å
334	P	32.8	Very low	32.4	Very low	125 Å²	125	140.3 Å²	140.3	81%	0.812	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-16.3	176.5	-22.9	34.3	0	0	0	114.2	R332 K336	R332-P334 WeakPolarHBondContact O-CD 3.31Å; P334-K336 PolarHBondContact O-N 3.39Å
335	R	41.3	Very low	33.4	Very low	205 Å²	205	135 Å²	135	77%	0.774	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-9.3	177.2	-65.2	175.6	-73.2	-169	-0	113.7	D333 H337	D333-R335 PolarHBondContact O-N 3.25Å; D333-R335 VanDerWaalsContact O-N 3.11Å; D333-R335 WeakPolarHBondContact OD1-CB 3.38Å; D333-R335 VanDerWaalsContact OD1-CG 3.28Å; D333-R335 WeakPolarHBondContact OD1-CG 3.27Å; D333-R335 IonicContact OD1-CZ 3.43Å; D333-R335 PolarHBondContact OD1-N 3.42Å; D333-R335 IonicContact OD1-NE 3.88Å; D333-R335 PolarHBondContact OD1-NE 3.35Å; D333-R335 IonicContact OD1-NH2 2.73Å; D333-R335 IonicContact OD2-CZ 3.16Å; D333-R335 IonicContact OD2-NE 3.91Å; D333-R335 PolarHBondContact OD2-NE 2.86Å; D333-R335 IonicContact OD2-NH2 2.82Å; D333-R335 PolarHBondContact OD2-NH2 3.27Å; R335-H337 PolarHBondContact O-N 3.06Å
336	K	32	Very low	34.7	Very low	186 Å²	186	132.7 Å²	132.7	81%	0.809	70%	0.696	S	S	*	*			trans	-72.4	77.3	162.5	-76.1	-170.9	176.9	-179.2	0	110.3	D333 P334 K338	D333-K336 PolarHBondContact O-N 3.44Å; P334-K336 PolarHBondContact O-N 3.39Å; K336-K338 PolarHBondContact O-N 3.01Å
337	H	34.1	Very low	35.9	Very low	164 Å²	164	132.1 Å²	132.1	76%	0.759	70%	0.695	S	S	*	*			trans	-44	126.4	153.5	-81.3	-56.2	0	0	0	108.1	R335 R339	R335-H337 PolarHBondContact O-N 3.06Å; H337-R339 PolarHBondContact O-N 2.91Å
338	K	31.6	Very low	37.7	Very low	208 Å²	208	131 Å²	131	90%	0.904	68%	0.681	S	S	*	*			trans	-62.3	90.9	165.5	-78.5	-177.1	174.7	179.5	0	107	K336 K340	K336-K338 PolarHBondContact O-N 3.01Å; K338-K340 PolarHBondContact O-N 3.38Å
339	R	42.3	Very low	39.5	Very low	175 Å²	175	127.1 Å²	127.1	66%	0.66	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.7	124.7	175.6	-69.6	-174.8	177.2	-176.5	-0.9	106.9	Q177 H337	Q177-R339 VanDerWaalsContact OE1-NH1 3.1Å; H337-R339 PolarHBondContact O-N 2.91Å
340	K	32.7	Very low	41.2	Very low	164 Å²	164	129.1 Å²	129.1	71%	0.713	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-58.8	149.9	167.7	-65.8	-179	-179	178.5	0	107.6	K338	K338-K340 PolarHBondContact O-N 3.38Å
341	P	33	Very low	43	Very low	91 Å²	91	123.4 Å²	123.4	59%	0.591	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-52.7	145.2	175.9	-23.9	33.5	0	0	0	111.2	G343 V344	P341-G343 PolarHBondContact O-N 3.16Å; P341-V344 HydrophobicContact CB-CG2 4.08Å; P341-V344 HydrophobicContact CG-CG2 4.49Å; P341-V344 PolarHBondContact O-N 3.15Å; P341-V344 VanDerWaalsContact O-N 3.17Å
342	L	36.5	Very low	45.3	Very low	59 Å²	59	123.2 Å²	123.2	31%	0.309	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.6	139.8	173.2	-64.5	167.6	0	0	0	109.4	A172 L176 V344	A172-L342 HydrophobicContact CB-CD1 4.47Å; L176-L342 HydrophobicContact CD2-CD2 3.91Å; L342-V344 PolarHBondContact O-N 2.87Å
343	G	43.6	Very low	47.7	Very low	74 Å²	74	112.1 Å²	112.1	76%	0.763	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.3	-22.6	-176.8	0	0	0	0	0	116.4	P341 G345	P341-G343 PolarHBondContact O-N 3.16Å; G343-G345 VanDerWaalsContact C-N 3.3Å; G343-G345 PolarHBondContact O-N 3.13Å
344	V	43.4	Very low	50.3	Low	97 Å²	97	110.7 Å²	110.7	59%	0.588	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	65.8	-176.4	-165.9	0	0	0	0	112.1	P341 L342	P341-V344 HydrophobicContact CB-CG2 4.08Å; P341-V344 HydrophobicContact CG-CG2 4.49Å; P341-V344 PolarHBondContact O-N 3.15Å; P341-V344 VanDerWaalsContact O-N 3.17Å; L342-V344 PolarHBondContact O-N 2.87Å
345	G	45.2	Very low	53	Low	64 Å²	64	108 Å²	108	66%	0.66	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	-31.3	-179.2	0	0	0	0	0	115.8	G343	G343-G345 VanDerWaalsContact C-N 3.3Å; G343-G345 PolarHBondContact O-N 3.13Å
346	Y	53.3	Low	55.4	Low	89 Å²	89	99.6 Å²	99.6	35%	0.349	52%	0.524	S	S	.	.			trans	-117.9	116.4	-170.1	-57.7	-67.7	0	0	0	112	A348 I429 H462 N466	Y346-A348 PolarHBondContact O-N 3.09Å; Y346-A348 VanDerWaalsContact O-N 3.12Å; Y346-I429 HydrophobicContact CD1-CD1 3.74Å; Y346-I429 HydrophobicContact CD2-CD1 4.4Å; Y346-I429 HydrophobicContact CG-CD1 3.66Å; Y346-H462 AromaticContact CE1-CE1 3.54Å; Y346-H462 AromaticContact CE1-ND1 3.35Å; Y346-H462 VanDerWaalsContact CE1-ND1 3.35Å; Y346-H462 WeakPolarHBondContact CE1-ND1 3.42Å; Y346-H462 AromaticContact CZ-ND1 3.61Å; Y346-N466 PolarHBondContact OH-ND2 3.27Å
347	S	54.9	Low	58.3	Low	115 Å²	115	90.9 Å²	90.9	80%	0.804	49%	0.487	S	S	*	.			trans	-78.1	91.8	166.7	-167.3	0	0	0	0	108.6
348	A	63.1	Low	61.2	Low	29 Å²	29	85.1 Å²	85.1	24%	0.24	46%	0.459	C	S	.	.			trans	-61.9	139	172.5	0	0	0	0	0	110	Y346 K350 S427 T459	Y346-A348 PolarHBondContact O-N 3.09Å; Y346-A348 VanDerWaalsContact O-N 3.12Å; A348-K350 PolarHBondContact O-N 3.36Å; A348-S427 WeakPolarHBondContact CB-OG 3.44Å; A348-T459 HydrophobicContact CB-CG2 4.36Å
349	R	66.4	Low	64.2	Low	78 Å²	78	75.4 Å²	75.4	29%	0.294	42%	0.417	S	S	.	.			trans	-74.4	131.6	-179.3	-59.5	-172.1	80.8	-115.6	12.9	109.6	S351 P352 L353 Y428	R349-S351 VanDerWaalsContact C-N 3.33Å; R349-S351 PolarHBondContact NH1-O 2.83Å; R349-P352 PolarHBondContact NH1-O 3.13Å; R349-L353 VanDerWaalsContact NH1-CA 3.27Å; R349-Y428 HydrophobicContact CB-CE2 4.3Å; R349-Y428 PolarHBondContact N-O 3.28Å; R349-Y428 VanDerWaalsContact N-O 3.12Å
350	K	62	Low	66.8	Low	223 Å²	223	68.9 Å²	68.9	97%	0.97	39%	0.394	S	S	*	.	S	Bend	trans	-83.3	-9.1	171.3	-63.2	-172	178.4	-173.2	0	113.4	A348	A348-K350 PolarHBondContact O-N 3.36Å
351	S	69.6	Low	69.8	Low	60 Å²	60	61.1 Å²	61.1	42%	0.42	36%	0.36	S	S	.	.	S	Bend	trans	-125.2	154.3	-177.4	69.4	0	0	0	0	111.7	R349 Y428	R349-S351 VanDerWaalsContact C-N 3.33Å; R349-S351 PolarHBondContact NH1-O 2.83Å; S351-Y428 PolarHBondContact O-OH 3.44Å
352	P	72.9	Confident	72.8	Confident	66 Å²	66	59.3 Å²	59.3	43%	0.429	35%	0.349	S	S	.	.			trans	-45.5	142.4	170.1	-31.4	37.9	0	0	0	113.5	R349 Y428	R349-P352 PolarHBondContact NH1-O 3.13Å; P352-Y428 WeakPolarHBondContact CA-OH 3.42Å
353	L	79.9	Confident	75.6	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.073	36%	0.361	C	S	.	.	S	Bend	trans	-89.2	-48.8	168.3	172.9	58.3	0	0	0	111.1	R349 D355 N417 R430 L456	R349-L353 VanDerWaalsContact NH1-CA 3.27Å; L353-D355 PolarHBondContact O-N 2.84Å; L353-N417 WeakPolarHBondContact CA-OD1 3.32Å; L353-N417 PolarHBondContact N-OD1 2.98Å; L353-R430 HydrophobicContact CD1-CG 4.42Å; L353-R430 HydrophobicContact CD2-CG 3.8Å; L353-L456 HydrophobicContact CB-CD1 4.25Å; L353-L456 HydrophobicContact CB-CD2 4.14Å; L353-L456 HydrophobicContact CD2-CD1 4.32Å; L353-L456 HydrophobicContact CD2-CD2 3.37Å; L353-L456 HydrophobicContact CD2-CG 3.81Å; L353-L456 HydrophobicContact CG-CD2 4.37Å
354	Y	85.9	Confident	77.9	Confident	39 Å²	39	59.5 Å²	59.5	15%	0.153	34%	0.34	C	S	.	.			trans	-92.8	97.4	179.6	-51	-60.5	0	0	0	107.9	N356 K415 E416 N417 V454 L456	Y354-N356 PolarHBondContact O-ND2 3.07Å; Y354-K415 WeakPolarHBondContact CB-O 3.15Å; Y354-K415 HydrophobicContact CD1-CB 4Å; Y354-K415 HydrophobicContact CD1-CD 4.14Å; Y354-K415 HydrophobicContact CD2-CB 3.58Å; Y354-K415 HydrophobicContact CE1-CB 4.3Å; Y354-K415 HydrophobicContact CE1-CD 3.95Å; Y354-K415 HydrophobicContact CE2-CB 3.91Å; Y354-K415 HydrophobicContact CG-CB 3.63Å; Y354-E416 WeakPolarHBondContact CD2-O 3.31Å; Y354-E416 WeakPolarHBondContact CE2-O 3.28Å; Y354-N417 PolarHBondContact N-OD1 2.8Å; Y354-N417 PolarHBondContact O-ND2 3.42Å; Y354-V454 PolarHBondContact OH-O 3.1Å; Y354-L456 HydrophobicContact CD2-CD1 4.02Å; Y354-L456 HydrophobicContact CE2-CD1 3.54Å; Y354-L456 HydrophobicContact CE2-CG 3.86Å
355	D	88.6	Confident	80.3	Confident	68 Å²	68	58.3 Å²	58.3	36%	0.364	33%	0.328	S	S	.	.			trans	-78	-11.1	169.2	-52.3	-40.3	0	0	0	111.2	L353 C357 D371 R372	L353-D355 PolarHBondContact O-N 2.84Å; D355-C357 PolarHBondContact O-N 3.31Å; D355-C357 VanDerWaalsContact O-N 3.16Å; D355-D371 WeakPolarHBondContact OD2-CA 3.5Å; D355-R372 HydrophobicContact CB-CB 4.01Å; D355-R372 WeakPolarHBondContact OD2-CB 3.37Å; D355-R372 PolarHBondContact OD2-N 3.42Å
356	N	91.4	Very high	82.6	Confident	28 Å²	28	57.9 Å²	57.9	15%	0.15	31%	0.313	C	S	.	.			trans	51.9	36.8	174.8	-62.3	-60.1	0	0	0	114.2	Y354 F358 C370 V414 K415	Y354-N356 PolarHBondContact O-ND2 3.07Å; N356-F358 WeakPolarHBondContact O-CD2 3.22Å; N356-F358 WeakPolarHBondContact O-CE2 3.35Å; N356-C370 PolarHBondContact N-O 3.16Å; N356-V414 HydrophobicContact CB-CG1 4.12Å; N356-K415 PolarHBondContact ND2-O 3.07Å; N356-K415 PolarHBondContact OD1-N 3.11Å
357	C	94	Very high	84.5	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.3	173.7	-62.3	0	0	0	0	110	D355 T369 C370 A375 F392	D355-C357 PolarHBondContact O-N 3.31Å; D355-C357 VanDerWaalsContact O-N 3.16Å; C357-T369 CarbonylContact O-C 3.58Å; C357-T369 WeakPolarHBondContact O-CA 3.24Å; C357-C370 PolarHBondContact N-O 2.97Å; C357-C370 PolarHBondContact O-N 3.37Å; C357-C370 PolarHBondContact O-SG 2.97Å; C357-C370 VanDerWaalsContact O-SG 3.33Å; C357-A375 HydrophobicContact CB-CB 3.83Å; C357-F392 CarbonylContact C-O 3.5Å; C357-F392 WeakPolarHBondContact CA-O 3.13Å; C357-F392 HydrophobicContact CB-CB 4.39Å; C357-F392 HydrophobicContact CB-CD1 3.96Å
358	F	95.3	Very high	86.2	Confident	42 Å²	42	50.1 Å²	50.1	18%	0.184	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.3	-176.8	-66.2	-93.1	0	0	0	112	N356 T369 P391 F392 V393 V394 V414	N356-F358 WeakPolarHBondContact O-CD2 3.22Å; N356-F358 WeakPolarHBondContact O-CE2 3.35Å; F358-T369 HydrophobicContact CD1-CG2 4.01Å; F358-T369 HydrophobicContact CE1-CG2 3.72Å; F358-T369 HydrophobicContact CZ-CG2 4.12Å; F358-P391 HydrophobicContact CD2-CB 4.17Å; F358-P391 HydrophobicContact CD2-CG 4.49Å; F358-P391 HydrophobicContact CE2-CB 4.08Å; F358-P391 HydrophobicContact CE2-CG 4.45Å; F358-F392 PolarHBondContact N-O 3.39Å; F358-V393 HydrophobicContact CB-CG1 4.37Å; F358-V393 HydrophobicContact CB-CG2 4.2Å; F358-V393 WeakPolarHBondContact O-CA 3.44Å; F358-V394 PolarHBondContact O-N 2.87Å; F358-V414 HydrophobicContact CE2-CG2 4.43Å; F358-V414 HydrophobicContact CZ-CG2 3.7Å
359	L	95.3	Very high	87.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.7	166.9	-65.2	177.4	0	0	0	109.6	L367 C368 C370 Y378 V394 L396	L359-L367 HydrophobicContact CB-CB 4.5Å; L359-L367 WeakPolarHBondContact O-CB 3.42Å; L359-L367 PolarHBondContact O-N 3.03Å; L359-C368 PolarHBondContact N-O 3.04Å; L359-C370 HydrophobicContact CD1-CB 4.42Å; L359-Y378 HydrophobicContact CD1-CD2 4.31Å; L359-Y378 HydrophobicContact CD1-CE2 3.65Å; L359-Y378 HydrophobicContact CD2-CD2 3.86Å; L359-Y378 HydrophobicContact CD2-CE2 4.06Å; L359-V394 WeakPolarHBondContact CA-O 3.45Å; L359-V394 HydrophobicContact CD2-CB 4.06Å; L359-V394 HydrophobicContact CD2-CG1 4.41Å; L359-L396 HydrophobicContact CD2-CD2 4.5Å
360	H	96.2	Very high	88.8	Confident	39 Å²	39	46.9 Å²	46.9	18%	0.181	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	150	176.7	-72	-153.6	0	0	0	110.8	G364 Q365 V394 K395 L396	H360-G364 PolarHBondContact ND1-O 2.6Å; H360-Q365 CarbonylContact C-O 3.52Å; H360-Q365 VanDerWaalsContact CA-O 3.3Å; H360-Q365 WeakPolarHBondContact CA-O 3.45Å; H360-V394 PolarHBondContact N-O 3.18Å; H360-K395 HydrophobicContact CB-CB 4.4Å; H360-K395 HydrophobicContact CB-CG 4.37Å; H360-K395 CarbonylContact O-C 3.53Å; H360-K395 WeakPolarHBondContact O-CA 3.27Å; H360-L396 PolarHBondContact O-N 3.43Å
361	A	96.1	Very high	90.2	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.			trans	-71.9	167.3	170	0	0	0	0	0	112	D363 G364 Q365 L367 K395	A361-D363 VanDerWaalsContact CB-OD1 3.27Å; A361-D363 WeakPolarHBondContact CB-OD1 3.45Å; A361-D363 PolarHBondContact O-N 2.85Å; A361-D363 VanDerWaalsContact O-N 3.14Å; A361-G364 WeakPolarHBondContact O-CA 3.34Å; A361-G364 PolarHBondContact O-N 3.26Å; A361-Q365 HydrophobicContact CB-CB 4.29Å; A361-Q365 PolarHBondContact N-O 3.01Å; A361-L367 HydrophobicContact CB-CD1 4.17Å; A361-L367 HydrophobicContact CB-CD2 4.08Å; A361-L367 HydrophobicContact CB-CG 4.21Å; A361-K395 VanDerWaalsContact O-CG 3.25Å; A361-K395 WeakPolarHBondContact O-CG 3.24Å
362	P	95.9	Very high	91.2	Very high	54 Å²	54	41.2 Å²	41.2	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	-179.4	-26.2	34.5	0	0	0	114.8	G364 L396 F398	P362-G364 VanDerWaalsContact C-N 3.3Å; P362-L396 WeakPolarHBondContact CG-O 3.36Å; P362-F398 WeakPolarHBondContact CD-O 3.38Å; P362-F398 WeakPolarHBondContact CG-O 3.21Å
363	D	94.4	Very high	92.1	Very high	106 Å²	106	48.4 Å²	48.4	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.2	175.5	55.9	21.9	0	0	0	114.3	A361 Q365 R403	A361-D363 VanDerWaalsContact CB-OD1 3.27Å; A361-D363 WeakPolarHBondContact CB-OD1 3.45Å; A361-D363 PolarHBondContact O-N 2.85Å; A361-D363 VanDerWaalsContact O-N 3.14Å; D363-Q365 WeakPolarHBondContact OD1-CB 3.15Å; D363-Q365 PolarHBondContact OD1-N 3.4Å; D363-R403 IonicContact OD1-NH1 3.03Å; D363-R403 PolarHBondContact OD1-NH1 3.1Å; D363-R403 IonicContact OD1-NH2 2.66Å; D363-R403 IonicContact OD2-CZ 3.52Å; D363-R403 VanDerWaalsContact OD2-CZ 3.22Å; D363-R403 IonicContact OD2-NH1 2.65Å; D363-R403 PolarHBondContact OD2-NH1 2.91Å; D363-R403 IonicContact OD2-NH2 2.72Å; D363-R403 PolarHBondContact OD2-NH2 3.29Å
364	G	92.2	Very high	92.7	Very high	31 Å²	31	52.1 Å²	52.1	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	91.3	-2.5	-178.7	0	0	0	0	0	115.3	H360 A361 P362 P366	H360-G364 PolarHBondContact ND1-O 2.6Å; A361-G364 WeakPolarHBondContact O-CA 3.34Å; A361-G364 PolarHBondContact O-N 3.26Å; P362-G364 VanDerWaalsContact C-N 3.3Å; G364-P366 WeakPolarHBondContact O-CD 3.21Å
365	Q	93.8	Very high	93.1	Very high	71 Å²	71	50.2 Å²	50.2	33%	0.332	25%	0.252	S	S	.	.			trans	-62.8	128	177.5	-170.1	-170.3	5.1	0	0	110.9	H360 A361 D363	H360-Q365 CarbonylContact C-O 3.52Å; H360-Q365 VanDerWaalsContact CA-O 3.3Å; H360-Q365 WeakPolarHBondContact CA-O 3.45Å; A361-Q365 HydrophobicContact CB-CB 4.29Å; A361-Q365 PolarHBondContact N-O 3.01Å; D363-Q365 WeakPolarHBondContact OD1-CB 3.15Å; D363-Q365 PolarHBondContact OD1-N 3.4Å
366	P	93.4	Very high	93.4	Very high	55 Å²	55	50 Å²	50	36%	0.357	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	137.4	171.4	-25	35.9	0	0	0	112.2	G364 L412	G364-P366 WeakPolarHBondContact O-CD 3.21Å; P366-L412 HydrophobicContact CB-CD2 3.67Å
367	L	92.7	Very high	93.6	Very high	16 Å²	16	54.7 Å²	54.7	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-53.7	-178.9	-61.2	173.7	0	0	0	112.4	L359 A361 L396 P400 R403 P404 L412	L359-L367 HydrophobicContact CB-CB 4.5Å; L359-L367 WeakPolarHBondContact O-CB 3.42Å; L359-L367 PolarHBondContact O-N 3.03Å; A361-L367 HydrophobicContact CB-CD1 4.17Å; A361-L367 HydrophobicContact CB-CD2 4.08Å; A361-L367 HydrophobicContact CB-CG 4.21Å; L367-L396 HydrophobicContact CD1-CD1 3.7Å; L367-L396 HydrophobicContact CD1-CG 4.41Å; L367-P400 HydrophobicContact CD1-CB 4.08Å; L367-P400 HydrophobicContact CD1-CG 3.82Å; L367-P400 HydrophobicContact CD2-CG 3.89Å; L367-R403 HydrophobicContact CD2-CB 4.4Å; L367-R403 HydrophobicContact CD2-CG 3.91Å; L367-P404 VanDerWaalsContact O-CG 3.26Å; L367-P404 WeakPolarHBondContact O-CG 3.45Å; L367-L412 VanDerWaalsContact C-CD2 3.49Å; L367-L412 WeakPolarHBondContact O-CD2 3.26Å
368	C	92.1	Very high	93.8	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.176	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	164.5	178.3	55.7	0	0	0	0	112.8	L359 Y411	L359-C368 PolarHBondContact N-O 3.04Å; C368-Y411 CarbonylContact C-O 3.56Å; C368-Y411 WeakPolarHBondContact CA-O 3.38Å
369	T	92.6	Very high	93.8	Very high	23 Å²	23	55.9 Å²	55.9	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	142.3	161.6	49.7	0	0	0	0	110.3	C357 F358 Y411 M413 K415	C357-T369 CarbonylContact O-C 3.58Å; C357-T369 WeakPolarHBondContact O-CA 3.24Å; F358-T369 HydrophobicContact CD1-CG2 4.01Å; F358-T369 HydrophobicContact CE1-CG2 3.72Å; F358-T369 HydrophobicContact CZ-CG2 4.12Å; T369-Y411 PolarHBondContact N-O 3.49Å; T369-Y411 PolarHBondContact OG1-O 3.42Å; T369-M413 PolarHBondContact OG1-O 3.21Å; T369-M413 VanDerWaalsContact OG1-O 3.1Å; T369-K415 PolarHBondContact OG1-NZ 2.97Å
370	C	91	Very high	93.9	Very high	16 Å²	16	61.2 Å²	61.2	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.7	179.6	68.8	0	0	0	0	112.6	N356 C357 L359 K374	N356-C370 PolarHBondContact N-O 3.16Å; C357-C370 PolarHBondContact N-O 2.97Å; C357-C370 PolarHBondContact O-N 3.37Å; C357-C370 PolarHBondContact O-SG 2.97Å; C357-C370 VanDerWaalsContact O-SG 3.33Å; L359-C370 HydrophobicContact CD1-CB 4.42Å; C370-K374 HydrophobicContact CB-CB 4.44Å; C370-K374 HydrophobicContact CB-CD 4.07Å
371	D	90.6	Very high	93.9	Very high	57 Å²	57	65.6 Å²	65.6	31%	0.305	32%	0.317	S	S	.	.			trans	-76.9	154.9	172.2	70.6	74.8	0	0	0	111.9	D355 R373 K374 A375	D355-D371 WeakPolarHBondContact OD2-CA 3.5Å; D371-R373 PolarHBondContact O-N 3.5Å; D371-R373 WeakPolarHBondContact OD1-CA 3.45Å; D371-R373 WeakPolarHBondContact OD1-CB 3.4Å; D371-R373 PolarHBondContact OD1-N 3.38Å; D371-K374 PolarHBondContact O-N 3.44Å; D371-K374 VanDerWaalsContact O-N 3.16Å; D371-K374 PolarHBondContact OD1-N 3.19Å; D371-A375 PolarHBondContact O-N 3.34Å
372	R	91.4	Very high	93.9	Very high	106 Å²	106	68 Å²	68	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-29.8	-174.8	-179.2	60.4	-177.4	-118.5	2.4	112.1	D355 Q376 F392	D355-R372 HydrophobicContact CB-CB 4.01Å; D355-R372 WeakPolarHBondContact OD2-CB 3.37Å; D355-R372 PolarHBondContact OD2-N 3.42Å; R372-Q376 WeakPolarHBondContact O-CB 3.44Å; R372-Q376 PolarHBondContact O-N 3.22Å; R372-F392 VanDerWaalsContact CZ-CD2 3.41Å; R372-F392 VanDerWaalsContact CZ-CZ 3.41Å
373	R	92.3	Very high	94	Very high	217 Å²	217	68.1 Å²	68.1	82%	0.819	34%	0.338	S	S	*	.	H	α-helix	trans	-71.5	-39.8	178.3	-60	179.6	176.7	-169.5	-4.1	111.1	D371 W377	D371-R373 PolarHBondContact O-N 3.5Å; D371-R373 WeakPolarHBondContact OD1-CA 3.45Å; D371-R373 WeakPolarHBondContact OD1-CB 3.4Å; D371-R373 PolarHBondContact OD1-N 3.38Å; R373-W377 WeakPolarHBondContact O-CB 3.43Å; R373-W377 PolarHBondContact O-N 2.91Å
374	K	92.1	Very high	94.1	Very high	92 Å²	92	63.3 Å²	63.3	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-44.6	173.9	-171.4	-177.9	178.6	-169.8	0	111.2	C370 D371 W377 Y378	C370-K374 HydrophobicContact CB-CB 4.44Å; C370-K374 HydrophobicContact CB-CD 4.07Å; D371-K374 PolarHBondContact O-N 3.44Å; D371-K374 VanDerWaalsContact O-N 3.16Å; D371-K374 PolarHBondContact OD1-N 3.19Å; K374-W377 PolarHBondContact O-N 2.97Å; K374-Y378 HydrophobicContact CG-CE2 4Å; K374-Y378 WeakPolarHBondContact O-CD2 3.34Å; K374-Y378 PolarHBondContact O-N 2.83Å
375	A	93.8	Very high	94.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-46.7	175.7	0	0	0	0	0	111.6	C357 D371 W377 Y378 F392 V394	C357-A375 HydrophobicContact CB-CB 3.83Å; D371-A375 PolarHBondContact O-N 3.34Å; A375-W377 VanDerWaalsContact C-N 3.35Å; A375-W377 PolarHBondContact O-N 3.35Å; A375-Y378 PolarHBondContact O-N 3.24Å; A375-F392 HydrophobicContact CB-CD1 3.95Å; A375-F392 HydrophobicContact CB-CE1 3.71Å; A375-V394 HydrophobicContact CB-CG2 4.16Å
376	Q	95.3	Very high	94.4	Very high	62 Å²	62	64.9 Å²	64.9	29%	0.29	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-39.9	176.6	-168.6	62.4	50.4	0	0	112.3	R372 Y378 L379 D380	R372-Q376 WeakPolarHBondContact O-CB 3.44Å; R372-Q376 PolarHBondContact O-N 3.22Å; Q376-Y378 VanDerWaalsContact C-N 3.26Å; Q376-Y378 PolarHBondContact O-N 3.08Å; Q376-L379 WeakPolarHBondContact O-CA 3.16Å; Q376-L379 WeakPolarHBondContact O-CB 3.24Å; Q376-L379 PolarHBondContact O-N 2.91Å; Q376-D380 PolarHBondContact NE2-OD1 2.93Å; Q376-D380 VanDerWaalsContact O-CG 3.22Å; Q376-D380 PolarHBondContact O-N 3.21Å
377	W	96.3	Very high	94.6	Very high	127 Å²	127	66.4 Å²	66.4	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-35.5	177.9	179.3	94.2	0	0	0	113.3	R373 K374 A375 K381 I383	R373-W377 WeakPolarHBondContact O-CB 3.43Å; R373-W377 PolarHBondContact O-N 2.91Å; K374-W377 PolarHBondContact O-N 2.97Å; A375-W377 VanDerWaalsContact C-N 3.35Å; A375-W377 PolarHBondContact O-N 3.35Å; W377-K381 HydrophobicContact CD2-CG 4.04Å; W377-K381 HydrophobicContact CE3-CG 4.46Å; W377-K381 HydrophobicContact CG-CG 4.48Å; W377-K381 HydrophobicContact CH2-CG 4.41Å; W377-K381 HydrophobicContact CZ2-CG 3.99Å; W377-K381 VanDerWaalsContact O-CB 3.26Å; W377-K381 WeakPolarHBondContact O-CB 3.33Å; W377-K381 WeakPolarHBondContact O-CG 3.21Å; W377-K381 PolarHBondContact O-N 2.87Å; W377-I383 HydrophobicContact CH2-CD1 4.12Å; W377-I383 HydrophobicContact CZ3-CD1 3.79Å
378	Y	96.3	Very high	94.7	Very high	34 Å²	34	67.7 Å²	67.7	13%	0.133	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-37.4	174.7	-71	-77.2	0	0	0	112.3	L359 K374 A375 Q376 G382 I383 G384 L396 F398	L359-Y378 HydrophobicContact CD1-CD2 4.31Å; L359-Y378 HydrophobicContact CD1-CE2 3.65Å; L359-Y378 HydrophobicContact CD2-CD2 3.86Å; L359-Y378 HydrophobicContact CD2-CE2 4.06Å; K374-Y378 HydrophobicContact CG-CE2 4Å; K374-Y378 WeakPolarHBondContact O-CD2 3.34Å; K374-Y378 PolarHBondContact O-N 2.83Å; A375-Y378 PolarHBondContact O-N 3.24Å; Q376-Y378 VanDerWaalsContact C-N 3.26Å; Q376-Y378 PolarHBondContact O-N 3.08Å; Y378-G382 PolarHBondContact O-N 2.78Å; Y378-I383 HydrophobicContact CD1-CD1 3.81Å; Y378-I383 HydrophobicContact CD1-CG1 4Å; Y378-I383 HydrophobicContact CE1-CD1 4.35Å; Y378-I383 WeakPolarHBondContact O-CG1 3.48Å; Y378-I383 PolarHBondContact O-N 3.47Å; Y378-I383 VanDerWaalsContact O-N 3.11Å; Y378-G384 PolarHBondContact O-N 3.34Å; Y378-L396 HydrophobicContact CD1-CD2 3.52Å; Y378-L396 HydrophobicContact CD2-CD2 4.28Å; Y378-L396 HydrophobicContact CE1-CD2 3.76Å; Y378-L396 HydrophobicContact CE2-CD2 4.48Å; Y378-L396 HydrophobicContact CG-CD2 3.82Å; Y378-F398 HydrophobicContact CD1-CE1 4.29Å; Y378-F398 HydrophobicContact CE1-CE1 4.24Å; Y378-F398 HydrophobicContact CE1-CZ 4.08Å
379	L	96.5	Very high	94.8	Very high	38 Å²	38	73 Å²	73	20%	0.199	36%	0.356	C	S	.	.	H	α-helix	trans	-66.7	-50.7	174.9	-59.3	176.5	0	0	0	110.8	Q376 K381 G382 L386 F392 V394	Q376-L379 WeakPolarHBondContact O-CA 3.16Å; Q376-L379 WeakPolarHBondContact O-CB 3.24Å; Q376-L379 PolarHBondContact O-N 2.91Å; L379-K381 PolarHBondContact O-N 3.44Å; L379-G382 PolarHBondContact O-N 2.79Å; L379-L386 HydrophobicContact CD1-CB 4.37Å; L379-L386 HydrophobicContact CD2-CB 4.13Å; L379-F392 HydrophobicContact CD1-CE1 4.47Å; L379-F392 HydrophobicContact CD1-CZ 3.83Å; L379-V394 HydrophobicContact CD1-CG2 3.94Å; L379-V394 HydrophobicContact CD2-CB 4.49Å; L379-V394 HydrophobicContact CD2-CG1 3.73Å; L379-V394 HydrophobicContact CD2-CG2 4Å; L379-V394 HydrophobicContact CG-CG1 4.13Å; L379-V394 HydrophobicContact CG-CG2 3.94Å
380	D	96.9	Very high	94.6	Very high	116 Å²	116	80.4 Å²	80.4	62%	0.62	39%	0.389	S	S	*	.	H	α-helix	trans	-61.2	-27.4	-179.3	-59.4	-12.3	0	0	0	112.5	Q376	Q376-D380 PolarHBondContact NE2-OD1 2.93Å; Q376-D380 VanDerWaalsContact O-CG 3.22Å; Q376-D380 PolarHBondContact O-N 3.21Å
381	K	96.9	Very high	94.6	Very high	130 Å²	130	83.6 Å²	83.6	57%	0.565	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.2	175.2	-70.9	-68	178.4	-170.3	0	114.2	W377 L379 I383	W377-K381 HydrophobicContact CD2-CG 4.04Å; W377-K381 HydrophobicContact CE3-CG 4.46Å; W377-K381 HydrophobicContact CG-CG 4.48Å; W377-K381 HydrophobicContact CH2-CG 4.41Å; W377-K381 HydrophobicContact CZ2-CG 3.99Å; W377-K381 VanDerWaalsContact O-CB 3.26Å; W377-K381 WeakPolarHBondContact O-CB 3.33Å; W377-K381 WeakPolarHBondContact O-CG 3.21Å; W377-K381 PolarHBondContact O-N 2.87Å; L379-K381 PolarHBondContact O-N 3.44Å; K381-I383 HydrophobicContact CB-CD1 4.03Å; K381-I383 HydrophobicContact CB-CG1 3.76Å; K381-I383 PolarHBondContact O-N 3.36Å
382	G	96.1	Very high	94.8	Very high	50 Å²	50	81.5 Å²	81.5	52%	0.515	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	11.5	-179.3	0	0	0	0	0	114.6	Y378 L379 R397	Y378-G382 PolarHBondContact O-N 2.78Å; L379-G382 PolarHBondContact O-N 2.79Å; G382-R397 WeakPolarHBondContact O-CD 3.46Å
383	I	96.8	Very high	95.1	Very high	57 Å²	57	77 Å²	77	29%	0.292	38%	0.382	S	S	.	.	S	Bend	trans	-105.5	3.3	-178.5	57.5	173.5	0	0	0	112.6	W377 Y378 K381 R397 F398	W377-I383 HydrophobicContact CH2-CD1 4.12Å; W377-I383 HydrophobicContact CZ3-CD1 3.79Å; Y378-I383 HydrophobicContact CD1-CD1 3.81Å; Y378-I383 HydrophobicContact CD1-CG1 4Å; Y378-I383 HydrophobicContact CE1-CD1 4.35Å; Y378-I383 WeakPolarHBondContact O-CG1 3.48Å; Y378-I383 PolarHBondContact O-N 3.47Å; Y378-I383 VanDerWaalsContact O-N 3.11Å; K381-I383 HydrophobicContact CB-CD1 4.03Å; K381-I383 HydrophobicContact CB-CG1 3.76Å; K381-I383 PolarHBondContact O-N 3.36Å; I383-R397 PolarHBondContact O-N 2.92Å; I383-F398 HydrophobicContact CB-CD1 4.12Å; I383-F398 HydrophobicContact CB-CE1 4.15Å; I383-F398 HydrophobicContact CD1-CE1 4.05Å; I383-F398 HydrophobicContact CG1-CE1 4.35Å
384	G	96.5	Very high	95.3	Very high	5 Å²	5	66.7 Å²	66.7	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	171.1	169.5	0	0	0	0	0	112.3	Y378 K395 R397	Y378-G384 PolarHBondContact O-N 3.34Å; G384-K395 CarbonylContact C-O 3.56Å; G384-K395 VanDerWaalsContact CA-O 3.25Å; G384-K395 WeakPolarHBondContact CA-O 3.49Å; G384-R397 PolarHBondContact O-NE 3.33Å
385	E	96.9	Very high	95.6	Very high	65 Å²	65	65 Å²	65	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.5	174.6	-179.1	164.1	-108.6	0	0	108.7	V387 V394 K395 R397	E385-V387 PolarHBondContact O-N 2.97Å; E385-V394 CarbonylContact O-C 3.55Å; E385-V394 WeakPolarHBondContact O-CA 3.34Å; E385-K395 PolarHBondContact N-O 2.9Å; E385-K395 PolarHBondContact O-N 3.15Å; E385-K395 WeakPolarHBondContact OE2-CE 3.22Å; E385-K395 IonicContact OE2-NZ 2.63Å; E385-K395 PolarHBondContact OE2-NZ 2.97Å; E385-R397 IonicContact OE1-CZ 3.89Å; E385-R397 IonicContact OE1-NH1 2.84Å; E385-R397 IonicContact OE1-NH2 2.81Å; E385-R397 PolarHBondContact OE1-NH2 3.15Å
386	L	97.1	Very high	95.7	Very high	70 Å²	70	65.3 Å²	65.3	37%	0.366	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.8	175.6	179.5	60.5	0	0	0	108.8	L379 S388 E389 F392	L379-L386 HydrophobicContact CD1-CB 4.37Å; L379-L386 HydrophobicContact CD2-CB 4.13Å; L386-S388 VanDerWaalsContact CD1-O 3.29Å; L386-S388 WeakPolarHBondContact CD1-O 3.33Å; L386-E389 HydrophobicContact CD2-CG 4.03Å; L386-F392 HydrophobicContact CD1-CD2 3.85Å; L386-F392 HydrophobicContact CD1-CE2 3.29Å; L386-F392 HydrophobicContact CD1-CZ 3.77Å; L386-F392 HydrophobicContact CD2-CE2 4.47Å
387	V	96.6	Very high	95.8	Very high	87 Å²	87	69.1 Å²	69.1	53%	0.527	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-36.3	-179	175.8	0	0	0	0	111.9	E385 V393 K395	E385-V387 PolarHBondContact O-N 2.97Å; V387-V393 HydrophobicContact CB-CB 4.27Å; V387-V393 HydrophobicContact CB-CG1 4.17Å; V387-V393 PolarHBondContact N-O 3.18Å; V387-K395 HydrophobicContact CG2-CB 3.56Å; V387-K395 HydrophobicContact CG2-CD 4.48Å
388	S	95.4	Very high	95.7	Very high	44 Å²	44	67.1 Å²	67.1	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148	173	-172.9	0	0	0	0	110.2	L386 E390 P391 F392 V393	L386-S388 VanDerWaalsContact CD1-O 3.29Å; L386-S388 WeakPolarHBondContact CD1-O 3.33Å; S388-E390 PolarHBondContact OG-N 3.15Å; S388-E390 PolarHBondContact OG-O 3.25Å; S388-E390 VanDerWaalsContact OG-O 3.1Å; S388-P391 CarbonylContact C-O 3.57Å; S388-P391 WeakPolarHBondContact CB-O 3.4Å; S388-P391 PolarHBondContact OG-O 2.54Å; S388-F392 WeakPolarHBondContact O-CA 3.47Å; S388-V393 PolarHBondContact O-N 2.6Å
389	E	92.6	Very high	95.6	Very high	138 Å²	138	70.9 Å²	70.9	65%	0.645	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-33.8	172.2	-65.2	-162.7	155.7	0	0	112.6	L386 P391 F392	L386-E389 HydrophobicContact CD2-CG 4.03Å; E389-P391 CarbonylContact C-O 3.58Å; E389-P391 CarbonylContact O-C 3.59Å; E389-F392 WeakPolarHBondContact O-CA 3.5Å; E389-F392 PolarHBondContact O-N 3.25Å
390	E	89.9	Confident	95.4	Very high	178 Å²	178	70 Å²	70	83%	0.832	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	113.1	178.3	-64.6	-164.7	163.2	0	0	110.9	S388	S388-E390 PolarHBondContact OG-N 3.15Å; S388-E390 PolarHBondContact OG-O 3.25Å; S388-E390 VanDerWaalsContact OG-O 3.1Å
391	P	90.6	Very high	94.7	Very high	82 Å²	82	70.1 Å²	70.1	53%	0.532	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	cis	-58.6	155.9	-16.4	30.2	-36.2	0	0	0	110.9	F358 S388 E389 V393	F358-P391 HydrophobicContact CD2-CB 4.17Å; F358-P391 HydrophobicContact CD2-CG 4.49Å; F358-P391 HydrophobicContact CE2-CB 4.08Å; F358-P391 HydrophobicContact CE2-CG 4.45Å; S388-P391 CarbonylContact C-O 3.57Å; S388-P391 WeakPolarHBondContact CB-O 3.4Å; S388-P391 PolarHBondContact OG-O 2.54Å; E389-P391 CarbonylContact C-O 3.58Å; E389-P391 CarbonylContact O-C 3.59Å; P391-V393 HydrophobicContact CG-CG2 4.25Å; P391-V393 WeakPolarHBondContact O-CG2 3.27Å; P391-V393 PolarHBondContact O-N 3.01Å; P391-V393 VanDerWaalsContact O-N 3.15Å
392	F	95	Very high	94	Very high	13 Å²	13	66.2 Å²	66.2	6%	0.057	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	111.7	-179.7	-165.7	-108.8	0	0	0	110.7	C357 F358 R372 A375 L379 L386 S388 E389 V394	C357-F392 CarbonylContact C-O 3.5Å; C357-F392 WeakPolarHBondContact CA-O 3.13Å; C357-F392 HydrophobicContact CB-CB 4.39Å; C357-F392 HydrophobicContact CB-CD1 3.96Å; F358-F392 PolarHBondContact N-O 3.39Å; R372-F392 VanDerWaalsContact CZ-CD2 3.41Å; R372-F392 VanDerWaalsContact CZ-CZ 3.41Å; A375-F392 HydrophobicContact CB-CD1 3.95Å; A375-F392 HydrophobicContact CB-CE1 3.71Å; L379-F392 HydrophobicContact CD1-CE1 4.47Å; L379-F392 HydrophobicContact CD1-CZ 3.83Å; L386-F392 HydrophobicContact CD1-CD2 3.85Å; L386-F392 HydrophobicContact CD1-CE2 3.29Å; L386-F392 HydrophobicContact CD1-CZ 3.77Å; L386-F392 HydrophobicContact CD2-CE2 4.47Å; S388-F392 WeakPolarHBondContact O-CA 3.47Å; E389-F392 WeakPolarHBondContact O-CA 3.5Å; E389-F392 PolarHBondContact O-N 3.25Å; F392-V394 HydrophobicContact CD1-CG2 4.25Å; F392-V394 HydrophobicContact CE1-CG2 3.65Å; F392-V394 HydrophobicContact CZ-CG2 4.11Å
393	V	96.7	Very high	93.6	Very high	13 Å²	13	67 Å²	67	8%	0.079	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.1	-177.4	-174.1	0	0	0	0	110.5	F358 V387 S388 P391	F358-V393 HydrophobicContact CB-CG1 4.37Å; F358-V393 HydrophobicContact CB-CG2 4.2Å; F358-V393 WeakPolarHBondContact O-CA 3.44Å; V387-V393 HydrophobicContact CB-CB 4.27Å; V387-V393 HydrophobicContact CB-CG1 4.17Å; V387-V393 PolarHBondContact N-O 3.18Å; S388-V393 PolarHBondContact O-N 2.6Å; P391-V393 HydrophobicContact CG-CG2 4.25Å; P391-V393 WeakPolarHBondContact O-CG2 3.27Å; P391-V393 PolarHBondContact O-N 3.01Å; P391-V393 VanDerWaalsContact O-N 3.15Å
394	V	97.6	Very high	93.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.3	172.4	177.1	0	0	0	0	109.8	F358 L359 H360 A375 L379 E385 F392	F358-V394 PolarHBondContact O-N 2.87Å; L359-V394 WeakPolarHBondContact CA-O 3.45Å; L359-V394 HydrophobicContact CD2-CB 4.06Å; L359-V394 HydrophobicContact CD2-CG1 4.41Å; H360-V394 PolarHBondContact N-O 3.18Å; A375-V394 HydrophobicContact CB-CG2 4.16Å; L379-V394 HydrophobicContact CD1-CG2 3.94Å; L379-V394 HydrophobicContact CD2-CB 4.49Å; L379-V394 HydrophobicContact CD2-CG1 3.73Å; L379-V394 HydrophobicContact CD2-CG2 4Å; L379-V394 HydrophobicContact CG-CG1 4.13Å; L379-V394 HydrophobicContact CG-CG2 3.94Å; E385-V394 CarbonylContact O-C 3.55Å; E385-V394 WeakPolarHBondContact O-CA 3.34Å; F392-V394 HydrophobicContact CD1-CG2 4.25Å; F392-V394 HydrophobicContact CE1-CG2 3.65Å; F392-V394 HydrophobicContact CZ-CG2 4.11Å
395	K	97.4	Very high	92.4	Very high	56 Å²	56	70 Å²	70	24%	0.243	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.9	174.4	-172.4	-172.8	70.4	-167.9	0	109.7	H360 A361 G384 E385 V387	H360-K395 HydrophobicContact CB-CB 4.4Å; H360-K395 HydrophobicContact CB-CG 4.37Å; H360-K395 CarbonylContact O-C 3.53Å; H360-K395 WeakPolarHBondContact O-CA 3.27Å; A361-K395 VanDerWaalsContact O-CG 3.25Å; A361-K395 WeakPolarHBondContact O-CG 3.24Å; G384-K395 CarbonylContact C-O 3.56Å; G384-K395 VanDerWaalsContact CA-O 3.25Å; G384-K395 WeakPolarHBondContact CA-O 3.49Å; E385-K395 PolarHBondContact N-O 2.9Å; E385-K395 PolarHBondContact O-N 3.15Å; E385-K395 WeakPolarHBondContact OE2-CE 3.22Å; E385-K395 IonicContact OE2-NZ 2.63Å; E385-K395 PolarHBondContact OE2-NZ 2.97Å; V387-K395 HydrophobicContact CG2-CB 3.56Å; V387-K395 HydrophobicContact CG2-CD 4.48Å
396	L	97.3	Very high	91.7	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.031	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	145.8	176	-58.3	-177.1	0	0	0	110.6	L359 H360 P362 L367 Y378 F398 P400	L359-L396 HydrophobicContact CD2-CD2 4.5Å; H360-L396 PolarHBondContact O-N 3.43Å; P362-L396 WeakPolarHBondContact CG-O 3.36Å; L367-L396 HydrophobicContact CD1-CD1 3.7Å; L367-L396 HydrophobicContact CD1-CG 4.41Å; Y378-L396 HydrophobicContact CD1-CD2 3.52Å; Y378-L396 HydrophobicContact CD2-CD2 4.28Å; Y378-L396 HydrophobicContact CE1-CD2 3.76Å; Y378-L396 HydrophobicContact CE2-CD2 4.48Å; Y378-L396 HydrophobicContact CG-CD2 3.82Å; L396-F398 VanDerWaalsContact C-N 3.35Å; L396-F398 HydrophobicContact CB-CD1 4.33Å; L396-F398 HydrophobicContact CB-CE1 4.22Å; L396-F398 HydrophobicContact CD1-CE1 4.31Å; L396-F398 HydrophobicContact CD1-CE2 4.47Å; L396-F398 HydrophobicContact CD1-CZ 4.01Å; L396-F398 HydrophobicContact CD2-CE1 4.09Å; L396-F398 HydrophobicContact CD2-CZ 4.42Å; L396-F398 HydrophobicContact CG-CE1 4.44Å; L396-P400 HydrophobicContact CD1-CB 4.44Å
397	R	96.4	Very high	90.6	Very high	142 Å²	142	72.6 Å²	72.6	54%	0.536	40%	0.401	S	S	.	.	S	Bend	trans	-92.2	4.9	174.8	-64.4	-178.8	178.2	-84	-6.3	113.2	G382 I383 G384 E385	G382-R397 WeakPolarHBondContact O-CD 3.46Å; I383-R397 PolarHBondContact O-N 2.92Å; G384-R397 PolarHBondContact O-NE 3.33Å; E385-R397 IonicContact OE1-CZ 3.89Å; E385-R397 IonicContact OE1-NH1 2.84Å; E385-R397 IonicContact OE1-NH2 2.81Å; E385-R397 PolarHBondContact OE1-NH2 3.15Å
398	F	95	Very high	89.8	Confident	85 Å²	85	70.1 Å²	70.1	37%	0.373	39%	0.393	S	S	.	.	S	Bend	trans	-139.7	159.5	-177.5	68	-84.7	0	0	0	110.5	P362 Y378 I383 L396	P362-F398 WeakPolarHBondContact CD-O 3.38Å; P362-F398 WeakPolarHBondContact CG-O 3.21Å; Y378-F398 HydrophobicContact CD1-CE1 4.29Å; Y378-F398 HydrophobicContact CE1-CE1 4.24Å; Y378-F398 HydrophobicContact CE1-CZ 4.08Å; I383-F398 HydrophobicContact CB-CD1 4.12Å; I383-F398 HydrophobicContact CB-CE1 4.15Å; I383-F398 HydrophobicContact CD1-CE1 4.05Å; I383-F398 HydrophobicContact CG1-CE1 4.35Å; L396-F398 VanDerWaalsContact C-N 3.35Å; L396-F398 HydrophobicContact CB-CD1 4.33Å; L396-F398 HydrophobicContact CB-CE1 4.22Å; L396-F398 HydrophobicContact CD1-CE1 4.31Å; L396-F398 HydrophobicContact CD1-CE2 4.47Å; L396-F398 HydrophobicContact CD1-CZ 4.01Å; L396-F398 HydrophobicContact CD2-CE1 4.09Å; L396-F398 HydrophobicContact CD2-CZ 4.42Å; L396-F398 HydrophobicContact CG-CE1 4.44Å
399	E	94.2	Very high	89.4	Confident	113 Å²	113	69 Å²	69	53%	0.528	38%	0.383	S	S	.	.			trans	-75	122.9	179.9	-174.3	56.4	-151.1	0	0	111.1	R403	E399-R403 VanDerWaalsContact CD-NH2 3.3Å; E399-R403 IonicContact OE1-CZ 2.71Å; E399-R403 VanDerWaalsContact OE1-CZ 3.25Å; E399-R403 IonicContact OE1-NE 2.66Å; E399-R403 PolarHBondContact OE1-NE 3.21Å; E399-R403 IonicContact OE1-NH2 3.86Å; E399-R403 PolarHBondContact OE1-NH2 3.05Å; E399-R403 IonicContact OE2-CZ 3.22Å; E399-R403 IonicContact OE2-NE 3.25Å; E399-R403 IonicContact OE2-NH2 3.28Å; E399-R403 PolarHBondContact OE2-NH2 3.06Å
400	P	90.7	Very high	89.2	Confident	20 Å²	20	62.5 Å²	62.5	13%	0.13	35%	0.353	C	S	.	.			trans	-72.3	147.9	179.5	31.2	-37.6	0	0	0	112	L367 L396 G402 R403	L367-P400 HydrophobicContact CD1-CB 4.08Å; L367-P400 HydrophobicContact CD1-CG 3.82Å; L367-P400 HydrophobicContact CD2-CG 3.89Å; L396-P400 HydrophobicContact CD1-CB 4.44Å; P400-G402 PolarHBondContact O-N 2.92Å; P400-R403 HydrophobicContact CG-CG 4.06Å
401	A	83.3	Confident	89.2	Confident	119 Å²	119	55 Å²	55	98%	0.983	32%	0.317	S	S	*	.	S	Bend	trans	-66.1	-5.4	177.9	0	0	0	0	0	114.9
402	G	82.1	Confident	89.2	Confident	47 Å²	47	52.5 Å²	52.5	49%	0.485	30%	0.3	S	S	.	.			trans	-164.2	147.2	176.4	0	0	0	0	0	111.5	P400	P400-G402 PolarHBondContact O-N 2.92Å
403	R	87.6	Confident	88.9	Confident	67 Å²	67	54 Å²	54	25%	0.253	31%	0.307	S	S	.	.			trans	-124.5	155	177.9	-68	172.1	171.1	-118.1	12.9	110.1	D363 L367 E399 P400	D363-R403 IonicContact OD1-NH1 3.03Å; D363-R403 PolarHBondContact OD1-NH1 3.1Å; D363-R403 IonicContact OD1-NH2 2.66Å; D363-R403 IonicContact OD2-CZ 3.52Å; D363-R403 VanDerWaalsContact OD2-CZ 3.22Å; D363-R403 IonicContact OD2-NH1 2.65Å; D363-R403 PolarHBondContact OD2-NH1 2.91Å; D363-R403 IonicContact OD2-NH2 2.72Å; D363-R403 PolarHBondContact OD2-NH2 3.29Å; L367-R403 HydrophobicContact CD2-CB 4.4Å; L367-R403 HydrophobicContact CD2-CG 3.91Å; E399-R403 VanDerWaalsContact CD-NH2 3.3Å; E399-R403 IonicContact OE1-CZ 2.71Å; E399-R403 VanDerWaalsContact OE1-CZ 3.25Å; E399-R403 IonicContact OE1-NE 2.66Å; E399-R403 PolarHBondContact OE1-NE 3.21Å; E399-R403 IonicContact OE1-NH2 3.86Å; E399-R403 PolarHBondContact OE1-NH2 3.05Å; E399-R403 IonicContact OE2-CZ 3.22Å; E399-R403 IonicContact OE2-NE 3.25Å; E399-R403 IonicContact OE2-NH2 3.28Å; E399-R403 PolarHBondContact OE2-NH2 3.06Å; P400-R403 HydrophobicContact CG-CG 4.06Å
404	P	85.7	Confident	88.6	Confident	19 Å²	19	57.9 Å²	57.9	12%	0.123	33%	0.331	C	S	.	.			trans	-60.7	141.1	171.8	-24	35.7	0	0	0	112	L367 D409 L412	L367-P404 VanDerWaalsContact O-CG 3.26Å; L367-P404 WeakPolarHBondContact O-CG 3.45Å; P404-D409 HydrophobicContact CB-CB 3.95Å; P404-L412 HydrophobicContact CB-CD1 4.04Å; P404-L412 HydrophobicContact CB-CG 4.43Å; P404-L412 HydrophobicContact CG-CD1 4.14Å; P404-L412 HydrophobicContact CG-CD2 4.07Å; P404-L412 HydrophobicContact CG-CG 4.13Å
405	E	82	Confident	88.3	Confident	105 Å²	105	58.7 Å²	58.7	49%	0.491	33%	0.334	S	S	.	.	S	Bend	trans	-84.8	-20.1	176.8	-83.8	168.7	-118.4	0	0	112.9	K606 R609	E405-K606 WeakPolarHBondContact OE1-CD 3.19Å; E405-K606 WeakPolarHBondContact OE1-CE 3.28Å; E405-K606 WeakPolarHBondContact OE1-CG 3.48Å; E405-K606 IonicContact OE1-NZ 4Å; E405-K606 PolarHBondContact OE1-NZ 3.27Å; E405-R609 IonicContact OE1-NH2 3.86Å; E405-R609 IonicContact OE2-CZ 3.36Å; E405-R609 IonicContact OE2-NH1 3.03Å; E405-R609 PolarHBondContact OE2-NH1 3.23Å; E405-R609 IonicContact OE2-NH2 2.75Å; E405-R609 PolarHBondContact OE2-NH2 2.79Å
406	S	82.9	Confident	88	Confident	59 Å²	59	61.2 Å²	61.2	41%	0.413	35%	0.347	S	S	.	.	S	Bend	trans	-143.8	157.3	178.5	80.7	0	0	0	0	112.2	G408 D409	S406-G408 PolarHBondContact O-N 3.16Å; S406-G408 PolarHBondContact OG-N 2.71Å; S406-D409 WeakPolarHBondContact O-CB 3.38Å; S406-D409 PolarHBondContact O-N 2.83Å
407	P	73.9	Confident	87.8	Confident	131 Å²	131	62.5 Å²	62.5	85%	0.851	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.3	172.4	-21.7	33.9	0	0	0	113.8	D409	P407-D409 VanDerWaalsContact C-N 3.34Å
408	G	78.9	Confident	87.6	Confident	35 Å²	35	56 Å²	56	36%	0.361	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	17.2	178.6	0	0	0	0	0	114.1	S406 Q597	S406-G408 PolarHBondContact O-N 3.16Å; S406-G408 PolarHBondContact OG-N 2.71Å; G408-Q597 VanDerWaalsContact O-CG 3.25Å; G408-Q597 WeakPolarHBondContact O-CG 3.44Å
409	D	86.4	Confident	87.6	Confident	20 Å²	20	52 Å²	52	11%	0.107	31%	0.312	C	S	.	.			trans	-66	136.7	-177.9	-172.6	-61.3	0	0	0	112.5	P404 S406 P407 Y411 L412	P404-D409 HydrophobicContact CB-CB 3.95Å; S406-D409 WeakPolarHBondContact O-CB 3.38Å; S406-D409 PolarHBondContact O-N 2.83Å; P407-D409 VanDerWaalsContact C-N 3.34Å; D409-Y411 PolarHBondContact O-N 3.2Å; D409-Y411 VanDerWaalsContact O-N 3.13Å; D409-Y411 WeakPolarHBondContact OD1-CB 3.41Å; D409-Y411 WeakPolarHBondContact OD1-CD2 3.5Å; D409-Y411 PolarHBondContact OD1-N 3.04Å; D409-L412 HydrophobicContact CB-CD1 4.15Å; D409-L412 HydrophobicContact CB-CG 4.24Å; D409-L412 WeakPolarHBondContact O-CB 3.18Å; D409-L412 PolarHBondContact O-N 3.1Å
410	Y	89.7	Confident	87.7	Confident	2 Å²	2	47 Å²	47	1%	0.008	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-36.8	178.7	174.4	-89.6	0	0	0	113.6	L412 M413 K415 S451 H452 P595 Q597 W598	Y410-L412 VanDerWaalsContact C-N 3.31Å; Y410-L412 PolarHBondContact O-N 2.99Å; Y410-M413 PolarHBondContact O-N 2.88Å; Y410-K415 PolarHBondContact O-NZ 3.48Å; Y410-S451 PolarHBondContact OH-O 3.41Å; Y410-H452 HydrophobicContact CD1-CB 4.46Å; Y410-H452 AromaticContact CD1-ND1 3.78Å; Y410-H452 AromaticContact CD2-ND1 3.76Å; Y410-H452 HydrophobicContact CE1-CB 4.19Å; Y410-H452 AromaticContact CE1-ND1 3.97Å; Y410-H452 AromaticContact CE2-ND1 3.94Å; Y410-H452 AromaticContact CG-ND1 3.68Å; Y410-P595 HydrophobicContact CD2-CB 4.32Å; Y410-P595 HydrophobicContact CE2-CB 3.78Å; Y410-P595 HydrophobicContact CE2-CG 3.94Å; Y410-Q597 HydrophobicContact CD2-CB 4.4Å; Y410-W598 HydrophobicContact CD2-CB 4.49Å; Y410-W598 HydrophobicContact CE2-CB 4.17Å; Y410-W598 AromaticContact CE2-CD1 3.92Å; Y410-W598 HydrophobicContact CE2-CG 4.49Å
411	Y	90.2	Very high	87.9	Confident	21 Å²	21	46.2 Å²	46.2	8%	0.082	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.9	-178.5	-56.4	-68.1	0	0	0	112.3	C368 T369 D409 H449 S451 H602	C368-Y411 CarbonylContact C-O 3.56Å; C368-Y411 WeakPolarHBondContact CA-O 3.38Å; T369-Y411 PolarHBondContact N-O 3.49Å; T369-Y411 PolarHBondContact OG1-O 3.42Å; D409-Y411 PolarHBondContact O-N 3.2Å; D409-Y411 VanDerWaalsContact O-N 3.13Å; D409-Y411 WeakPolarHBondContact OD1-CB 3.41Å; D409-Y411 WeakPolarHBondContact OD1-CD2 3.5Å; D409-Y411 PolarHBondContact OD1-N 3.04Å; Y411-H449 HydrophobicContact CE1-CB 4.03Å; Y411-H449 HydrophobicContact CE2-CB 4.18Å; Y411-H449 VanDerWaalsContact OH-CB 3.28Å; Y411-H449 WeakPolarHBondContact OH-CB 3.32Å; Y411-H449 PolarHBondContact OH-O 3.44Å; Y411-S451 WeakPolarHBondContact CE1-OG 3.34Å; Y411-H602 AromaticContact CD2-NE2 3.87Å; Y411-H602 AromaticContact CE1-NE2 3.7Å; Y411-H602 AromaticContact CE2-CE1 3.73Å; Y411-H602 AromaticContact CE2-NE2 2.62Å; Y411-H602 WeakPolarHBondContact CE2-NE2 3.28Å; Y411-H602 AromaticContact CZ-NE2 2.48Å; Y411-H602 PolarHBondContact OH-NE2 3.44Å
412	L	90.6	Very high	88.4	Confident	30 Å²	30	43 Å²	43	16%	0.157	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.4	175.1	-63.2	177.6	0	0	0	113.4	P366 L367 P404 D409 Y410 V414	P366-L412 HydrophobicContact CB-CD2 3.67Å; L367-L412 VanDerWaalsContact C-CD2 3.49Å; L367-L412 WeakPolarHBondContact O-CD2 3.26Å; P404-L412 HydrophobicContact CB-CD1 4.04Å; P404-L412 HydrophobicContact CB-CG 4.43Å; P404-L412 HydrophobicContact CG-CD1 4.14Å; P404-L412 HydrophobicContact CG-CD2 4.07Å; P404-L412 HydrophobicContact CG-CG 4.13Å; D409-L412 HydrophobicContact CB-CD1 4.15Å; D409-L412 HydrophobicContact CB-CG 4.24Å; D409-L412 WeakPolarHBondContact O-CB 3.18Å; D409-L412 PolarHBondContact O-N 3.1Å; Y410-L412 VanDerWaalsContact C-N 3.31Å; Y410-L412 PolarHBondContact O-N 2.99Å; L412-V414 PolarHBondContact O-N 3.42Å
413	M	88.7	Confident	88.9	Confident	45 Å²	45	41.7 Å²	41.7	22%	0.222	24%	0.24	C	C	.	.	S	Bend	trans	-65.5	132	-177.3	-61.9	-171.8	77.4	0	0	113.4	T369 Y410 K415 P595 Q596 Q597	T369-M413 PolarHBondContact OG1-O 3.21Å; T369-M413 VanDerWaalsContact OG1-O 3.1Å; Y410-M413 PolarHBondContact O-N 2.88Å; M413-K415 PolarHBondContact O-NZ 3.11Å; M413-P595 HydrophobicContact SD-CB 4.49Å; M413-Q596 HydrophobicContact CE-CB 3.79Å; M413-Q597 HydrophobicContact CE-CG 4.43Å; M413-Q597 HydrophobicContact CG-CG 4.39Å; M413-Q597 HydrophobicContact SD-CB 3.61Å; M413-Q597 HydrophobicContact SD-CG 3.47Å; M413-Q597 WeakPolarHBondContact SD-CG 3.49Å
414	V	90.8	Very high	89.1	Confident	94 Å²	94	43 Å²	43	57%	0.57	25%	0.248	S	C	*	.			trans	-62.9	134.7	160.1	176.9	0	0	0	0	109.3	N356 F358 L412	N356-V414 HydrophobicContact CB-CG1 4.12Å; F358-V414 HydrophobicContact CE2-CG2 4.43Å; F358-V414 HydrophobicContact CZ-CG2 3.7Å; L412-V414 PolarHBondContact O-N 3.42Å
415	K	91.1	Very high	89.2	Confident	17 Å²	17	48.6 Å²	48.6	7%	0.074	27%	0.267	C	S	.	.			trans	-119.3	136.7	-175	-67.4	167.3	-171.5	68.9	0	111.2	Y354 N356 T369 Y410 M413	Y354-K415 WeakPolarHBondContact CB-O 3.15Å; Y354-K415 HydrophobicContact CD1-CB 4Å; Y354-K415 HydrophobicContact CD1-CD 4.14Å; Y354-K415 HydrophobicContact CD2-CB 3.58Å; Y354-K415 HydrophobicContact CE1-CB 4.3Å; Y354-K415 HydrophobicContact CE1-CD 3.95Å; Y354-K415 HydrophobicContact CE2-CB 3.91Å; Y354-K415 HydrophobicContact CG-CB 3.63Å; N356-K415 PolarHBondContact ND2-O 3.07Å; N356-K415 PolarHBondContact OD1-N 3.11Å; T369-K415 PolarHBondContact OG1-NZ 2.97Å; Y410-K415 PolarHBondContact O-NZ 3.48Å; M413-K415 PolarHBondContact O-NZ 3.11Å
416	E	91.4	Very high	88.8	Confident	109 Å²	109	50.8 Å²	50.8	51%	0.509	28%	0.281	S	S	.	.			trans	-79.1	143.1	178.4	-72.4	-157.3	86.9	0	0	113	Y354 L418 R425	Y354-E416 WeakPolarHBondContact CD2-O 3.31Å; Y354-E416 WeakPolarHBondContact CE2-O 3.28Å; E416-L418 VanDerWaalsContact C-N 3.31Å; E416-L418 HydrophobicContact CB-CD2 3.85Å; E416-L418 HydrophobicContact CB-CG 3.81Å; E416-L418 HydrophobicContact CG-CD2 4.45Å; E416-L418 PolarHBondContact O-N 2.85Å; E416-L418 VanDerWaalsContact O-N 3.08Å; E416-L418 WeakPolarHBondContact OE2-CD2 3.48Å; E416-R425 IonicContact OE1-CZ 2.7Å; E416-R425 VanDerWaalsContact OE1-CZ 3.28Å; E416-R425 IonicContact OE1-NH1 3.2Å; E416-R425 PolarHBondContact OE1-NH1 2.84Å; E416-R425 IonicContact OE1-NH2 3.59Å; E416-R425 PolarHBondContact OE1-NH2 2.82Å; E416-R425 IonicContact OE2-NH2 2.68Å
417	N	91.8	Very high	88.6	Confident	33 Å²	33	50 Å²	50	18%	0.176	28%	0.276	C	S	.	.	S	Bend	trans	-86.4	69.2	176.7	-73.1	-73.3	0	0	0	111.3	L353 Y354 Y428	L353-N417 WeakPolarHBondContact CA-OD1 3.32Å; L353-N417 PolarHBondContact N-OD1 2.98Å; Y354-N417 PolarHBondContact N-OD1 2.8Å; Y354-N417 PolarHBondContact O-ND2 3.42Å; N417-Y428 HydrophobicContact CB-CE1 4.18Å; N417-Y428 VanDerWaalsContact O-CE1 3.27Å; N417-Y428 WeakPolarHBondContact O-CE1 3.46Å
418	L	93	Very high	89.2	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	-140.2	164.8	-179.5	57.5	73.2	0	0	0	112.3	E416 V420 R425 L456 H593	E416-L418 VanDerWaalsContact C-N 3.31Å; E416-L418 HydrophobicContact CB-CD2 3.85Å; E416-L418 HydrophobicContact CB-CG 3.81Å; E416-L418 HydrophobicContact CG-CD2 4.45Å; E416-L418 PolarHBondContact O-N 2.85Å; E416-L418 VanDerWaalsContact O-N 3.08Å; E416-L418 WeakPolarHBondContact OE2-CD2 3.48Å; L418-V420 PolarHBondContact O-N 3.1Å; L418-R425 HydrophobicContact CB-CG 4.04Å; L418-L456 WeakPolarHBondContact O-CB 3.45Å; L418-H593 HydrophobicContact CD1-CB 3.51Å
419	C	94.1	Very high	89.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.			trans	-68	115.2	168.5	178.8	0	0	0	0	110.7	V421 C422 G423 K424 L456 C458	C419-V421 PolarHBondContact O-N 3.25Å; C419-C422 PolarHBondContact O-N 3.19Å; C419-C422 PolarHBondContact SG-SG 3.01Å; C419-G423 WeakPolarHBondContact O-CA 3.19Å; C419-G423 PolarHBondContact O-N 3.06Å; C419-K424 HydrophobicContact CB-CB 4.49Å; C419-K424 PolarHBondContact N-O 3.4Å; C419-L456 CarbonylContact C-O 3.51Å; C419-L456 WeakPolarHBondContact CA-O 3.45Å; C419-C458 HydrophobicContact CB-CB 3.9Å; C419-C458 PolarHBondContact SG-N 2.86Å
420	V	96.5	Very high	89.9	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.042	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19	-178.6	-55.6	0	0	0	0	113.3	L418 L455 L456 L457 F585 P591 K592 H593 L594	L418-V420 PolarHBondContact O-N 3.1Å; V420-L455 HydrophobicContact CG1-CB 4.38Å; V420-L455 HydrophobicContact CG2-CB 4.18Å; V420-L455 HydrophobicContact CG2-CD1 4.23Å; V420-L456 PolarHBondContact N-O 3.07Å; V420-L457 HydrophobicContact CG2-CD2 3.93Å; V420-F585 HydrophobicContact CG2-CE1 4.38Å; V420-F585 HydrophobicContact CG2-CZ 3.88Å; V420-P591 HydrophobicContact CG2-CB 4.33Å; V420-P591 CarbonylContact O-C 3.59Å; V420-P591 WeakPolarHBondContact O-CB 3.43Å; V420-K592 PolarHBondContact O-N 3.04Å; V420-K592 VanDerWaalsContact O-N 3.14Å; V420-H593 WeakPolarHBondContact CB-O 3.07Å; V420-H593 CarbonylContact O-C 3.5Å; V420-H593 WeakPolarHBondContact O-CA 3.4Å; V420-H593 PolarHBondContact O-N 3.2Å; V420-L594 HydrophobicContact CG2-CD2 4.49Å
421	V	95.7	Very high	90.1	Very high	4 Å²	4	49 Å²	49	2%	0.024	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-43.9	179	173.4	0	0	0	0	113.1	R150 C419 L457 C461 F585 M589 P591	R150-V421 VanDerWaalsContact NH2-CG1 3.28Å; C419-V421 PolarHBondContact O-N 3.25Å; V421-L457 HydrophobicContact CB-CD2 4.16Å; V421-L457 HydrophobicContact CG2-CD2 3.42Å; V421-L457 VanDerWaalsContact CG2-CD2 3.42Å; V421-C461 HydrophobicContact CB-CB 4.12Å; V421-C461 HydrophobicContact CG1-CB 4.25Å; V421-C461 HydrophobicContact CG2-CB 4.49Å; V421-F585 HydrophobicContact CG2-CZ 4.26Å; V421-M589 HydrophobicContact CG1-CE 4.22Å; V421-M589 WeakPolarHBondContact CG1-O 3.35Å; V421-M589 HydrophobicContact CG2-CB 3.83Å; V421-M589 HydrophobicContact CG2-CE 4Å; V421-P591 HydrophobicContact CG2-CB 4.06Å
422	C	93	Very high	90.3	Very high	53 Å²	53	51.5 Å²	51.5	36%	0.358	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	7.7	-167.2	70.2	0	0	0	0	115.6	C419 K424 C461	C419-C422 PolarHBondContact O-N 3.19Å; C419-C422 PolarHBondContact SG-SG 3.01Å; C422-K424 PolarHBondContact O-N 3.26Å; C422-C461 PolarHBondContact SG-SG 3.34Å
423	G	93.4	Very high	90.6	Very high	19 Å²	19	50.1 Å²	50.1	20%	0.196	25%	0.252	C	S	.	.			trans	75.5	-10.3	172.7	0	0	0	0	0	116.2	C419 R425 H593	C419-G423 WeakPolarHBondContact O-CA 3.19Å; C419-G423 PolarHBondContact O-N 3.06Å; G423-R425 WeakPolarHBondContact O-CG 3.39Å; G423-R425 PolarHBondContact O-N 2.95Å; G423-H593 PolarHBondContact N-CD2 3.03Å; G423-H593 VanDerWaalsContact N-CD2 3.34Å
424	K	90.3	Very high	91	Very high	95 Å²	95	48.1 Å²	48.1	41%	0.413	24%	0.242	S	C	.	.			trans	-54.5	130	178.1	-70.4	-171.9	179.1	-176.1	0	111.5	C419 C422 C458	C419-K424 HydrophobicContact CB-CB 4.49Å; C419-K424 PolarHBondContact N-O 3.4Å; C422-K424 PolarHBondContact O-N 3.26Å; K424-C458 HydrophobicContact CB-CB 4.24Å
425	R	88.6	Confident	91.2	Very high	136 Å²	136	44.1 Å²	44.1	51%	0.513	22%	0.218	S	C	.	.			trans	-102.9	-18.6	-173.3	-64.3	-173.8	-177.4	-112	-7.3	114.4	E416 L418 G423 Y428	E416-R425 IonicContact OE1-CZ 2.7Å; E416-R425 VanDerWaalsContact OE1-CZ 3.28Å; E416-R425 IonicContact OE1-NH1 3.2Å; E416-R425 PolarHBondContact OE1-NH1 2.84Å; E416-R425 IonicContact OE1-NH2 3.59Å; E416-R425 PolarHBondContact OE1-NH2 2.82Å; E416-R425 IonicContact OE2-NH2 2.68Å; L418-R425 HydrophobicContact CB-CG 4.04Å; G423-R425 WeakPolarHBondContact O-CG 3.39Å; G423-R425 PolarHBondContact O-N 2.95Å; R425-Y428 WeakPolarHBondContact O-CD1 3.47Å; R425-Y428 WeakPolarHBondContact O-CE1 3.26Å
426	D	74.1	Confident	91.2	Very high	150 Å²	150	49.2 Å²	49.2	80%	0.802	24%	0.242	S	C	*	.	S	Bend	trans	-90.9	-13.6	-161.9	-35.1	-61.2	0	0	0	114.5
427	S	79	Confident	91.1	Very high	42 Å²	42	46.9 Å²	46.9	29%	0.294	23%	0.231	S	C	.	.	S	Bend	trans	-159.6	89.3	-171.3	-169.3	0	0	0	0	111.5	A348 C458	A348-S427 WeakPolarHBondContact CB-OG 3.44Å; S427-C458 WeakPolarHBondContact O-CA 3.49Å; S427-C458 WeakPolarHBondContact O-CB 3.36Å
428	Y	85.1	Confident	91.2	Very high	14 Å²	14	45.3 Å²	45.3	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.7	-179.8	50.9	-108.5	0	0	0	114.4	R349 S351 P352 N417 R425 L456 L457	R349-Y428 HydrophobicContact CB-CE2 4.3Å; R349-Y428 PolarHBondContact N-O 3.28Å; R349-Y428 VanDerWaalsContact N-O 3.12Å; S351-Y428 PolarHBondContact O-OH 3.44Å; P352-Y428 WeakPolarHBondContact CA-OH 3.42Å; N417-Y428 HydrophobicContact CB-CE1 4.18Å; N417-Y428 VanDerWaalsContact O-CE1 3.27Å; N417-Y428 WeakPolarHBondContact O-CE1 3.46Å; R425-Y428 WeakPolarHBondContact O-CD1 3.47Å; R425-Y428 WeakPolarHBondContact O-CE1 3.26Å; Y428-L456 HydrophobicContact CD2-CD1 3.92Å; Y428-L456 HydrophobicContact CD2-CD2 3.5Å; Y428-L456 HydrophobicContact CD2-CG 4.27Å; Y428-L456 HydrophobicContact CE2-CD1 4.11Å; Y428-L456 HydrophobicContact CE2-CD2 4.18Å; Y428-L456 HydrophobicContact CG-CD1 4.15Å; Y428-L456 HydrophobicContact CG-CD2 4.09Å; Y428-L457 CarbonylContact C-O 3.49Å; Y428-L457 VanDerWaalsContact CA-O 3.28Å; Y428-L457 WeakPolarHBondContact CA-O 3.39Å
429	I	89.4	Confident	91.2	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	-175.1	-50.2	156.7	0	0	0	107.6	Y346 K431 L457 T459 H462	Y346-I429 HydrophobicContact CD1-CD1 3.74Å; Y346-I429 HydrophobicContact CD2-CD1 4.4Å; Y346-I429 HydrophobicContact CG-CD1 3.66Å; I429-K431 PolarHBondContact O-N 3.35Å; I429-L457 PolarHBondContact N-O 2.9Å; I429-L457 PolarHBondContact O-N 2.98Å; I429-T459 HydrophobicContact CD1-CG2 4.08Å; I429-H462 HydrophobicContact CD1-CB 3.89Å
430	R	91.1	Very high	91.1	Very high	125 Å²	125	50.3 Å²	50.3	47%	0.472	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120	168.3	-69.5	175.8	-177.5	168.7	-3.4	109.9	L353 V454 L455	L353-R430 HydrophobicContact CD1-CG 4.42Å; L353-R430 HydrophobicContact CD2-CG 3.8Å; R430-V454 HydrophobicContact CB-CG1 4.15Å; R430-V454 HydrophobicContact CG-CG1 4.14Å; R430-L455 CarbonylContact C-O 3.55Å; R430-L455 WeakPolarHBondContact CA-O 3.36Å
431	K	93.6	Very high	90.9	Very high	6 Å²	6	51 Å²	51	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.3	167.6	174.5	70	-171.4	-160	0	108.5	I429 V454 L455 L457 S465 N466 D469	I429-K431 PolarHBondContact O-N 3.35Å; K431-V454 WeakPolarHBondContact O-CA 3.49Å; K431-L455 PolarHBondContact N-O 2.82Å; K431-L455 PolarHBondContact O-N 2.9Å; K431-L457 HydrophobicContact CB-CB 4.49Å; K431-L457 HydrophobicContact CB-CD1 3.7Å; K431-L457 HydrophobicContact CB-CG 3.83Å; K431-L457 HydrophobicContact CD-CD1 4.03Å; K431-L457 HydrophobicContact CG-CD1 3.69Å; K431-L457 HydrophobicContact CG-CG 4.3Å; K431-S465 WeakPolarHBondContact CE-OG 3.21Å; K431-S465 PolarHBondContact NZ-OG 3.4Å; K431-N466 PolarHBondContact NZ-OD1 2.99Å; K431-D469 IonicContact NZ-OD1 2.57Å; K431-D469 PolarHBondContact NZ-OD1 3.27Å; K431-D469 IonicContact NZ-OD2 3.13Å; K431-D469 PolarHBondContact NZ-OD2 3.12Å
432	N	95.5	Very high	90.7	Very high	73 Å²	73	50.8 Å²	50.8	39%	0.39	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.9	162.9	-54	-46.3	0	0	0	107.3	I434 D453	N432-I434 WeakPolarHBondContact CB-O 3.05Å; N432-D453 CarbonylContact C-O 3.52Å; N432-D453 VanDerWaalsContact CA-O 3.3Å; N432-D453 WeakPolarHBondContact CA-O 3.38Å
433	V	97.1	Very high	90.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.228	C	C	.	.	S	Bend	trans	-64.1	-46	179.9	173	0	0	0	0	110.4	P435 D453 L455 R582 F585 W598	V433-P435 WeakPolarHBondContact O-CD 3.31Å; V433-D453 HydrophobicContact CB-CB 4.47Å; V433-D453 PolarHBondContact N-O 2.92Å; V433-L455 HydrophobicContact CG2-CD1 3.51Å; V433-L455 HydrophobicContact CG2-CG 3.9Å; V433-R582 HydrophobicContact CG1-CB 4.46Å; V433-R582 HydrophobicContact CG1-CG 4.04Å; V433-F585 HydrophobicContact CG1-CB 3.77Å; V433-F585 HydrophobicContact CG1-CG 4.19Å; V433-F585 HydrophobicContact CG2-CD1 4.27Å; V433-F585 HydrophobicContact CG2-CG 4.22Å; V433-W598 HydrophobicContact CG1-CZ2 4.15Å; V433-W598 HydrophobicContact CG2-CZ2 4.28Å
434	I	96.1	Very high	90.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	25%	0.246	C	C	.	.	S	Bend	trans	-85.9	117.3	164.4	-48.7	164.7	0	0	0	107.1	N432 H436 R439 F442 D453 E578 W581	N432-I434 WeakPolarHBondContact CB-O 3.05Å; I434-H436 PolarHBondContact O-N 2.79Å; I434-R439 HydrophobicContact CG2-CB 4.15Å; I434-F442 HydrophobicContact CG2-CZ 4.41Å; I434-D453 HydrophobicContact CD1-CB 4.21Å; I434-D453 VanDerWaalsContact CD1-OD2 3.3Å; I434-D453 WeakPolarHBondContact CD1-OD2 3.49Å; I434-D453 HydrophobicContact CG1-CB 4.32Å; I434-E578 HydrophobicContact CD1-CB 4.44Å; I434-E578 HydrophobicContact CD1-CG 3.65Å; I434-E578 WeakPolarHBondContact CD1-OE2 3.28Å; I434-W581 HydrophobicContact CG1-CB 4.18Å; I434-W581 HydrophobicContact CG2-CG 4.48Å
435	P	94.8	Very high	90	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.058	24%	0.241	C	C	.	.			trans	-61.3	139.6	179.9	-25.2	35.3	0	0	0	111.9	V433 E437 Y438 R439 W581	V433-P435 WeakPolarHBondContact O-CD 3.31Å; P435-E437 HydrophobicContact CB-CG 4.12Å; P435-E437 WeakPolarHBondContact CB-OE1 3.21Å; P435-E437 PolarHBondContact O-N 3.27Å; P435-Y438 HydrophobicContact CB-CD2 3.87Å; P435-Y438 HydrophobicContact CB-CE2 3.96Å; P435-Y438 HydrophobicContact CG-CD2 4.11Å; P435-Y438 HydrophobicContact CG-CE2 3.98Å; P435-Y438 PolarHBondContact O-N 2.96Å; P435-R439 PolarHBondContact O-N 3.41Å; P435-W581 VanDerWaalsContact CD-CE3 3.41Å; P435-W581 HydrophobicContact CG-CD2 4.08Å; P435-W581 HydrophobicContact CG-CE3 3.82Å; P435-W581 HydrophobicContact CG-CH2 3.64Å; P435-W581 HydrophobicContact CG-CZ2 3.87Å; P435-W581 HydrophobicContact CG-CZ3 3.59Å
436	H	91.4	Very high	90	Very high	124 Å²	124	45.2 Å²	45.2	57%	0.574	22%	0.219	S	C	*	.	H	α-helix	trans	-58.8	-24.3	-176.7	-178.9	70.6	0	0	0	113	I434 Y438 K440	I434-H436 PolarHBondContact O-N 2.79Å; H436-Y438 PolarHBondContact O-N 2.95Å; H436-K440 VanDerWaalsContact O-CB 3.31Å; H436-K440 WeakPolarHBondContact O-CB 3.47Å; H436-K440 WeakPolarHBondContact O-CD 3.25Å; H436-K440 VanDerWaalsContact O-CG 3.25Å; H436-K440 WeakPolarHBondContact O-CG 3.49Å; H436-K440 PolarHBondContact O-N 2.82Å; H436-K440 VanDerWaalsContact O-N 3.1Å
437	E	90.4	Very high	90.5	Very high	60 Å²	60	40.2 Å²	40.2	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-28.6	175.8	74.2	-156.3	101.7	0	0	114	P435 K440 H441 K473	P435-E437 HydrophobicContact CB-CG 4.12Å; P435-E437 WeakPolarHBondContact CB-OE1 3.21Å; P435-E437 PolarHBondContact O-N 3.27Å; E437-K440 WeakPolarHBondContact O-CE 3.43Å; E437-H441 PolarHBondContact O-CD2 3.32Å; E437-H441 VanDerWaalsContact O-CD2 3.25Å; E437-K473 WeakPolarHBondContact OE1-CE 3.42Å; E437-K473 IonicContact OE1-NZ 3.94Å; E437-K473 PolarHBondContact OE1-NZ 2.79Å
438	Y	94.1	Very high	90.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-93.4	-51.2	172.5	-49.2	-80.8	0	0	0	110.8	P435 H436 K440 H441 F442 K473 L476 H558 V562 V563 W581	P435-Y438 HydrophobicContact CB-CD2 3.87Å; P435-Y438 HydrophobicContact CB-CE2 3.96Å; P435-Y438 HydrophobicContact CG-CD2 4.11Å; P435-Y438 HydrophobicContact CG-CE2 3.98Å; P435-Y438 PolarHBondContact O-N 2.96Å; H436-Y438 PolarHBondContact O-N 2.95Å; Y438-K440 PolarHBondContact O-N 3.32Å; Y438-H441 PolarHBondContact O-N 3.05Å; Y438-F442 WeakPolarHBondContact O-CD1 3.4Å; Y438-K473 WeakPolarHBondContact OH-CG 3.48Å; Y438-L476 HydrophobicContact CE1-CD1 4.28Å; Y438-H558 AromaticContact CE1-CD2 3.74Å; Y438-H558 AromaticContact CE1-NE2 3.46Å; Y438-H558 WeakPolarHBondContact CE1-NE2 3.42Å; Y438-H558 AromaticContact CZ-CD2 3.81Å; Y438-H558 AromaticContact CZ-NE2 3.47Å; Y438-H558 PolarHBondContact OH-CD2 3.39Å; Y438-H558 VanDerWaalsContact OH-CD2 3.29Å; Y438-H558 PolarHBondContact OH-NE2 3.28Å; Y438-V562 HydrophobicContact CD1-CB 4.21Å; Y438-V562 HydrophobicContact CD1-CG1 4.21Å; Y438-V562 HydrophobicContact CE1-CB 4.04Å; Y438-V562 HydrophobicContact CE1-CG1 4.12Å; Y438-V562 HydrophobicContact CE1-CG2 4.2Å; Y438-V563 HydrophobicContact CD1-CG2 4.46Å; Y438-W581 HydrophobicContact CD2-CZ2 4.15Å; Y438-W581 AromaticContact CD2-NE1 3.71Å; Y438-W581 AromaticContact CE2-CE2 3.64Å; Y438-W581 HydrophobicContact CE2-CH2 4.3Å; Y438-W581 AromaticContact CE2-CZ2 3.33Å; Y438-W581 HydrophobicContact CE2-CZ2 3.33Å; Y438-W581 AromaticContact CE2-NE1 3.68Å; Y438-W581 AromaticContact CZ-CZ2 3.83Å
439	R	92.8	Very high	89.7	Confident	24 Å²	24	47.5 Å²	47.5	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-31.5	-173.5	-167.7	75.7	169.3	147.9	17.4	113	I434 P435 H441 F442 M446 K447 D448 D453 E578	I434-R439 HydrophobicContact CG2-CB 4.15Å; P435-R439 PolarHBondContact O-N 3.41Å; R439-H441 PolarHBondContact O-N 3.16Å; R439-F442 PolarHBondContact O-N 3.1Å; R439-M446 PolarHBondContact NH1-O 3.29Å; R439-M446 PolarHBondContact NH2-O 2.83Å; R439-K447 PolarHBondContact NH2-O 2.85Å; R439-K447 WeakPolarHBondContact O-CE 3.46Å; R439-D448 PolarHBondContact NH2-O 2.92Å; R439-D453 IonicContact CZ-OD2 2.99Å; R439-E578 IonicContact CZ-OE2 2.66Å; R439-E578 IonicContact NH1-OE2 2.92Å; R439-E578 PolarHBondContact NH1-OE2 3Å
440	K	91.4	Very high	89.3	Confident	88 Å²	88	50.7 Å²	50.7	38%	0.383	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.2	176.3	74.7	-172.4	-171.7	177.4	0	114.1	H436 E437 Y438 K447 S620	H436-K440 VanDerWaalsContact O-CB 3.31Å; H436-K440 WeakPolarHBondContact O-CB 3.47Å; H436-K440 WeakPolarHBondContact O-CD 3.25Å; H436-K440 VanDerWaalsContact O-CG 3.25Å; H436-K440 WeakPolarHBondContact O-CG 3.49Å; H436-K440 PolarHBondContact O-N 2.82Å; H436-K440 VanDerWaalsContact O-N 3.1Å; E437-K440 WeakPolarHBondContact O-CE 3.43Å; Y438-K440 PolarHBondContact O-N 3.32Å; K440-K447 VanDerWaalsContact C-CE 3.5Å; K440-K447 WeakPolarHBondContact O-CE 3.29Å; K440-K447 PolarHBondContact O-NZ 3.3Å; K440-S620 PolarHBondContact O-OG 2.84Å
441	H	92.2	Very high	89.2	Confident	21 Å²	21	47.5 Å²	47.5	10%	0.097	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-7.7	179.4	-64.7	-58.7	0	0	0	113.6	E437 Y438 R439 L560 V563 L619	E437-H441 PolarHBondContact O-CD2 3.32Å; E437-H441 VanDerWaalsContact O-CD2 3.25Å; Y438-H441 PolarHBondContact O-N 3.05Å; R439-H441 PolarHBondContact O-N 3.16Å; H441-L560 HydrophobicContact CB-CD1 4.3Å; H441-L560 VanDerWaalsContact CD2-CA 3.49Å; H441-L560 WeakPolarHBondContact CD2-CA 3.46Å; H441-L560 PolarHBondContact CD2-N 3.1Å; H441-V563 HydrophobicContact CB-CB 4.07Å; H441-V563 HydrophobicContact CB-CG1 3.9Å; H441-V563 HydrophobicContact CB-CG2 4.28Å; H441-L619 WeakPolarHBondContact O-CD2 3.37Å
442	F	91.4	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-62.1	159.7	178.4	-79.7	29.2	0	0	0	111.7	I434 Y438 R439 M446 K447 V563 L577 E578	I434-F442 HydrophobicContact CG2-CZ 4.41Å; Y438-F442 WeakPolarHBondContact O-CD1 3.4Å; R439-F442 PolarHBondContact O-N 3.1Å; F442-M446 HydrophobicContact CB-CB 4.3Å; F442-M446 HydrophobicContact CD2-CB 4.09Å; F442-M446 HydrophobicContact CD2-CE 4Å; F442-M446 HydrophobicContact CD2-SD 4.25Å; F442-M446 HydrophobicContact CE2-CE 4.04Å; F442-K447 HydrophobicContact CB-CG 4.25Å; F442-K447 WeakPolarHBondContact O-CD 3.36Å; F442-K447 WeakPolarHBondContact O-CE 3.4Å; F442-K447 PolarHBondContact O-NZ 3.01Å; F442-V563 HydrophobicContact CD1-CG1 4.15Å; F442-V563 HydrophobicContact CD1-CG2 3.9Å; F442-V563 HydrophobicContact CE1-CG2 3.74Å; F442-L577 HydrophobicContact CE1-CD2 4.03Å; F442-L577 HydrophobicContact CZ-CD2 4.26Å; F442-L577 HydrophobicContact CZ-CG 4.5Å; F442-E578 HydrophobicContact CE2-CB 4.23Å
443	P	90	Very high	89	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.219	C	C	.	.			trans	-53.9	154.7	169.6	-21.8	31	0	0	0	112.1	E445 M446 K447 L574 I617	P443-E445 WeakPolarHBondContact CB-OE2 3.38Å; P443-E445 PolarHBondContact O-N 2.66Å; P443-M446 HydrophobicContact CG-CG 4.46Å; P443-M446 HydrophobicContact CG-SD 4.29Å; P443-M446 PolarHBondContact O-N 3.15Å; P443-M446 VanDerWaalsContact O-N 3.14Å; P443-K447 WeakPolarHBondContact O-CG 3.18Å; P443-K447 PolarHBondContact O-N 2.71Å; P443-K447 VanDerWaalsContact O-N 3.15Å; P443-L574 HydrophobicContact CG-CD1 3.49Å; P443-L574 VanDerWaalsContact CG-CD1 3.49Å; P443-I617 HydrophobicContact CG-CG1 4.12Å; P443-I617 HydrophobicContact CG-CG2 3.88Å
444	I	86.9	Confident	88.8	Confident	109 Å²	109	45.1 Å²	45.1	56%	0.559	23%	0.225	S	C	*	.	H	α-helix	trans	-63.2	-35.9	-178.6	-169.9	63.8	0	0	0	111.3	M446 K447	I444-M446 PolarHBondContact O-N 2.82Å; I444-K447 HydrophobicContact CD1-CD 4.34Å; I444-K447 PolarHBondContact O-N 3.26Å; I444-K447 VanDerWaalsContact O-N 3.12Å
445	E	85.8	Confident	88.7	Confident	69 Å²	69	45 Å²	45	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-57.6	-34.8	176	-59.5	71.3	-156.2	0	0	112.4	P443 L607 F611 L615	P443-E445 WeakPolarHBondContact CB-OE2 3.38Å; P443-E445 PolarHBondContact O-N 2.66Å; E445-L607 HydrophobicContact CB-CD2 4.48Å; E445-F611 HydrophobicContact CB-CD2 4.36Å; E445-F611 HydrophobicContact CB-CE2 3.73Å; E445-F611 HydrophobicContact CB-CZ 3.83Å; E445-F611 HydrophobicContact CG-CD1 4.25Å; E445-F611 HydrophobicContact CG-CD2 4.34Å; E445-F611 HydrophobicContact CG-CE1 3.65Å; E445-F611 HydrophobicContact CG-CE2 3.76Å; E445-F611 HydrophobicContact CG-CZ 3.37Å; E445-L615 HydrophobicContact CG-CD2 4.42Å
446	M	87.8	Confident	88.7	Confident	7 Å²	7	44.6 Å²	44.6	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-88.5	-24.1	179.3	-67.1	-171.7	74.6	0	0	112.7	R439 F442 P443 I444 L571 L574 M575 L607	R439-M446 PolarHBondContact NH1-O 3.29Å; R439-M446 PolarHBondContact NH2-O 2.83Å; F442-M446 HydrophobicContact CB-CB 4.3Å; F442-M446 HydrophobicContact CD2-CB 4.09Å; F442-M446 HydrophobicContact CD2-CE 4Å; F442-M446 HydrophobicContact CD2-SD 4.25Å; F442-M446 HydrophobicContact CE2-CE 4.04Å; P443-M446 HydrophobicContact CG-CG 4.46Å; P443-M446 HydrophobicContact CG-SD 4.29Å; P443-M446 PolarHBondContact O-N 3.15Å; P443-M446 VanDerWaalsContact O-N 3.14Å; I444-M446 PolarHBondContact O-N 2.82Å; M446-L571 HydrophobicContact CG-CD1 4.19Å; M446-L571 HydrophobicContact SD-CD1 3.78Å; M446-L574 HydrophobicContact CE-CB 4.15Å; M446-L574 HydrophobicContact SD-CB 3.78Å; M446-L574 HydrophobicContact SD-CD1 3.88Å; M446-M575 HydrophobicContact CE-CG 4.33Å; M446-L607 HydrophobicContact CG-CD1 4.1Å
447	K	85.8	Confident	88.8	Confident	44 Å²	44	38.7 Å²	38.7	19%	0.191	19%	0.194	C	C	.	.	H	α-helix	trans	-71.2	-31	-173.6	-85.3	164.2	166.1	152.3	0	114.3	R439 K440 F442 P443 I444 S620	R439-K447 PolarHBondContact NH2-O 2.85Å; R439-K447 WeakPolarHBondContact O-CE 3.46Å; K440-K447 VanDerWaalsContact C-CE 3.5Å; K440-K447 WeakPolarHBondContact O-CE 3.29Å; K440-K447 PolarHBondContact O-NZ 3.3Å; F442-K447 HydrophobicContact CB-CG 4.25Å; F442-K447 WeakPolarHBondContact O-CD 3.36Å; F442-K447 WeakPolarHBondContact O-CE 3.4Å; F442-K447 PolarHBondContact O-NZ 3.01Å; P443-K447 WeakPolarHBondContact O-CG 3.18Å; P443-K447 PolarHBondContact O-N 2.71Å; P443-K447 VanDerWaalsContact O-N 3.15Å; I444-K447 HydrophobicContact CD1-CD 4.34Å; I444-K447 PolarHBondContact O-N 3.26Å; I444-K447 VanDerWaalsContact O-N 3.12Å; K447-S620 PolarHBondContact NZ-OG 2.66Å
448	D	75.6	Confident	88.8	Confident	98 Å²	98	36 Å²	36	52%	0.524	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	161.2	179.8	-78.7	-16.7	0	0	0	112.7	R439 N450	R439-D448 PolarHBondContact NH2-O 2.92Å; D448-N450 PolarHBondContact O-N 3.21Å; D448-N450 VanDerWaalsContact O-N 3.07Å
449	H	71.1	Confident	88.5	Confident	112 Å²	112	37.4 Å²	37.4	52%	0.519	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30.1	175.8	-53.8	86.7	0	0	0	115.4	Y411 S451 H452	Y411-H449 HydrophobicContact CE1-CB 4.03Å; Y411-H449 HydrophobicContact CE2-CB 4.18Å; Y411-H449 VanDerWaalsContact OH-CB 3.28Å; Y411-H449 WeakPolarHBondContact OH-CB 3.32Å; Y411-H449 PolarHBondContact OH-O 3.44Å; H449-S451 PolarHBondContact O-N 3.15Å; H449-H452 PolarHBondContact O-N 3.22Å
450	N	81.5	Confident	88.2	Confident	90 Å²	90	37.2 Å²	37.2	48%	0.481	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-59.7	-7.5	-176.1	68.3	24	0	0	0	116.3	D448 H452 D453	D448-N450 PolarHBondContact O-N 3.21Å; D448-N450 VanDerWaalsContact O-N 3.07Å; N450-H452 PolarHBondContact O-N 3.39Å; N450-D453 PolarHBondContact O-N 3.2Å
451	S	87.3	Confident	88.3	Confident	58 Å²	58	33.4 Å²	33.4	41%	0.406	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.6	-11.4	179.1	56.3	0	0	0	0	114.2	Y410 Y411 H449 D453 V454	Y410-S451 PolarHBondContact OH-O 3.41Å; Y411-S451 WeakPolarHBondContact CE1-OG 3.34Å; H449-S451 PolarHBondContact O-N 3.15Å; S451-D453 VanDerWaalsContact C-N 3.32Å; S451-V454 PolarHBondContact O-N 3.15Å
452	H	91.8	Very high	88.3	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.4	-40.8	164.7	-169.1	83.7	0	0	0	111.8	Y410 H449 N450 V454 W598 S599 H602	Y410-H452 HydrophobicContact CD1-CB 4.46Å; Y410-H452 AromaticContact CD1-ND1 3.78Å; Y410-H452 AromaticContact CD2-ND1 3.76Å; Y410-H452 HydrophobicContact CE1-CB 4.19Å; Y410-H452 AromaticContact CE1-ND1 3.97Å; Y410-H452 AromaticContact CE2-ND1 3.94Å; Y410-H452 AromaticContact CG-ND1 3.68Å; H449-H452 PolarHBondContact O-N 3.22Å; N450-H452 PolarHBondContact O-N 3.39Å; H452-V454 VanDerWaalsContact C-N 3.29Å; H452-V454 PolarHBondContact O-N 3.47Å; H452-W598 AromaticContact CD2-CD1 3.99Å; H452-W598 AromaticContact CD2-NE1 3.67Å; H452-W598 AromaticContact CE1-CD1 3.71Å; H452-W598 AromaticContact ND1-CD1 3.98Å; H452-W598 AromaticContact NE2-CD1 3.68Å; H452-W598 AromaticContact NE2-CE2 3.95Å; H452-W598 AromaticContact NE2-NE1 3.63Å; H452-W598 VanDerWaalsContact O-CD1 3.29Å; H452-W598 PolarHBondContact O-NE1 3.28Å; H452-S599 PolarHBondContact CE1-N 2.91Å; H452-S599 PolarHBondContact NE2-N 3.35Å; H452-S599 PolarHBondContact NE2-O 3.24Å; H452-H602 AromaticContact CD2-CD2 3.79Å; H452-H602 AromaticContact CD2-CG 3.9Å; H452-H602 WeakPolarHBondContact CE1-CB 3.4Å; H452-H602 AromaticContact CE1-CD2 3.68Å; H452-H602 AromaticContact CE1-CG 3.29Å; H452-H602 AromaticContact CE1-ND1 3.73Å; H452-H602 AromaticContact CG-CD2 3.36Å; H452-H602 AromaticContact CG-CG 3.77Å; H452-H602 AromaticContact ND1-CD2 3.34Å; H452-H602 PolarHBondContact ND1-CD2 2.92Å; H452-H602 VanDerWaalsContact ND1-CD2 3.34Å; H452-H602 AromaticContact ND1-CG 3.44Å; H452-H602 AromaticContact ND1-ND1 3.86Å; H452-H602 WeakPolarHBondContact NE2-CB 3.43Å; H452-H602 AromaticContact NE2-CD2 3.97Å; H452-H602 AromaticContact NE2-CG 3.61Å
453	D	94	Very high	88.2	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.032	18%	0.18	C	C	.	.	S	Bend	trans	-87.9	6.2	-179.1	-61.8	-61.6	0	0	0	113.1	N432 V433 I434 R439 N450 S451 R582	N432-D453 CarbonylContact C-O 3.52Å; N432-D453 VanDerWaalsContact CA-O 3.3Å; N432-D453 WeakPolarHBondContact CA-O 3.38Å; V433-D453 HydrophobicContact CB-CB 4.47Å; V433-D453 PolarHBondContact N-O 2.92Å; I434-D453 HydrophobicContact CD1-CB 4.21Å; I434-D453 VanDerWaalsContact CD1-OD2 3.3Å; I434-D453 WeakPolarHBondContact CD1-OD2 3.49Å; I434-D453 HydrophobicContact CG1-CB 4.32Å; R439-D453 IonicContact CZ-OD2 2.99Å; N450-D453 PolarHBondContact O-N 3.2Å; S451-D453 VanDerWaalsContact C-N 3.32Å; D453-R582 IonicContact OD1-CZ 2.87Å; D453-R582 IonicContact OD1-NE 3.59Å; D453-R582 PolarHBondContact OD1-NE 2.72Å; D453-R582 IonicContact OD1-NH2 3.56Å; D453-R582 PolarHBondContact OD1-NH2 3.19Å; D453-R582 IonicContact OD2-CZ 3.98Å; D453-R582 IonicContact OD2-NE 2.87Å; D453-R582 IonicContact OD2-NH2 3.79Å; D453-R582 PolarHBondContact OD2-NH2 2.83Å
454	V	93.3	Very high	88.4	Confident	24 Å²	24	33.9 Å²	33.9	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	98.7	179.3	-176.5	0	0	0	0	110.5	Y354 R430 K431 S451 H452	Y354-V454 PolarHBondContact OH-O 3.1Å; R430-V454 HydrophobicContact CB-CG1 4.15Å; R430-V454 HydrophobicContact CG-CG1 4.14Å; K431-V454 WeakPolarHBondContact O-CA 3.49Å; S451-V454 PolarHBondContact O-N 3.15Å; H452-V454 VanDerWaalsContact C-N 3.29Å; H452-V454 PolarHBondContact O-N 3.47Å
455	L	94.3	Very high	88.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	166.1	-179.1	-59.6	179.2	0	0	0	111.8	V420 R430 K431 V433 F585 L594 W598	V420-L455 HydrophobicContact CG1-CB 4.38Å; V420-L455 HydrophobicContact CG2-CB 4.18Å; V420-L455 HydrophobicContact CG2-CD1 4.23Å; R430-L455 CarbonylContact C-O 3.55Å; R430-L455 WeakPolarHBondContact CA-O 3.36Å; K431-L455 PolarHBondContact N-O 2.82Å; K431-L455 PolarHBondContact O-N 2.9Å; V433-L455 HydrophobicContact CG2-CD1 3.51Å; V433-L455 HydrophobicContact CG2-CG 3.9Å; L455-F585 HydrophobicContact CD1-CD1 4.11Å; L455-F585 HydrophobicContact CD1-CE1 3.43Å; L455-F585 VanDerWaalsContact CD1-CE1 3.43Å; L455-F585 HydrophobicContact CD1-CZ 3.82Å; L455-L594 HydrophobicContact CD1-CD2 3.6Å; L455-L594 HydrophobicContact CD2-CD2 4.14Å; L455-W598 HydrophobicContact CD1-CZ2 4.46Å
456	L	94.1	Very high	89.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.7	174.4	-76.7	-177.1	0	0	0	111.4	L353 Y354 L418 C419 V420 Y428	L353-L456 HydrophobicContact CB-CD1 4.25Å; L353-L456 HydrophobicContact CB-CD2 4.14Å; L353-L456 HydrophobicContact CD2-CD1 4.32Å; L353-L456 HydrophobicContact CD2-CD2 3.37Å; L353-L456 HydrophobicContact CD2-CG 3.81Å; L353-L456 HydrophobicContact CG-CD2 4.37Å; Y354-L456 HydrophobicContact CD2-CD1 4.02Å; Y354-L456 HydrophobicContact CE2-CD1 3.54Å; Y354-L456 HydrophobicContact CE2-CG 3.86Å; L418-L456 WeakPolarHBondContact O-CB 3.45Å; C419-L456 CarbonylContact C-O 3.51Å; C419-L456 WeakPolarHBondContact CA-O 3.45Å; V420-L456 PolarHBondContact N-O 3.07Å; Y428-L456 HydrophobicContact CD2-CD1 3.92Å; Y428-L456 HydrophobicContact CD2-CD2 3.5Å; Y428-L456 HydrophobicContact CD2-CG 4.27Å; Y428-L456 HydrophobicContact CE2-CD1 4.11Å; Y428-L456 HydrophobicContact CE2-CD2 4.18Å; Y428-L456 HydrophobicContact CG-CD1 4.15Å; Y428-L456 HydrophobicContact CG-CD2 4.09Å
457	L	93.8	Very high	89.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142	171.6	-66	-176.1	0	0	0	111.1	V420 V421 Y428 I429 K431 C461 H462 F585	V420-L457 HydrophobicContact CG2-CD2 3.93Å; V421-L457 HydrophobicContact CB-CD2 4.16Å; V421-L457 HydrophobicContact CG2-CD2 3.42Å; V421-L457 VanDerWaalsContact CG2-CD2 3.42Å; Y428-L457 CarbonylContact C-O 3.49Å; Y428-L457 VanDerWaalsContact CA-O 3.28Å; Y428-L457 WeakPolarHBondContact CA-O 3.39Å; I429-L457 PolarHBondContact N-O 2.9Å; I429-L457 PolarHBondContact O-N 2.98Å; K431-L457 HydrophobicContact CB-CB 4.49Å; K431-L457 HydrophobicContact CB-CD1 3.7Å; K431-L457 HydrophobicContact CB-CG 3.83Å; K431-L457 HydrophobicContact CD-CD1 4.03Å; K431-L457 HydrophobicContact CG-CD1 3.69Å; K431-L457 HydrophobicContact CG-CG 4.3Å; L457-C461 HydrophobicContact CB-CB 4.45Å; L457-C461 HydrophobicContact CD2-CB 4.24Å; L457-H462 HydrophobicContact CB-CB 3.97Å; L457-H462 HydrophobicContact CD1-CB 4.34Å; L457-F585 HydrophobicContact CD1-CE2 4.26Å; L457-F585 HydrophobicContact CD2-CE2 4.25Å; L457-F585 HydrophobicContact CD2-CZ 4.23Å
458	C	90	Very high	90	Very high	5 Å²	5	27 Å²	27	3%	0.034	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	162.2	168.1	76.3	0	0	0	0	111.3	C419 K424 S427 S460 C461 H462	C419-C458 HydrophobicContact CB-CB 3.9Å; C419-C458 PolarHBondContact SG-N 2.86Å; K424-C458 HydrophobicContact CB-CB 4.24Å; S427-C458 WeakPolarHBondContact O-CA 3.49Å; S427-C458 WeakPolarHBondContact O-CB 3.36Å; C458-S460 PolarHBondContact O-N 3.45Å; C458-S460 VanDerWaalsContact O-N 3.1Å; C458-C461 PolarHBondContact O-N 3.24Å; C458-H462 WeakPolarHBondContact O-CB 3.43Å; C458-H462 PolarHBondContact O-N 2.83Å
459	T	87.8	Confident	90.9	Very high	29 Å²	29	22.6 Å²	22.6	18%	0.178	12%	0.123	C	C	.	.	H	α-helix	trans	-56	-30.4	-176.8	62.3	0	0	0	0	114	R184 A348 I429 A463	R184-T459 PolarHBondContact NH1-OG1 3.42Å; R184-T459 VanDerWaalsContact NH2-C 3.33Å; R184-T459 PolarHBondContact NH2-O 2.99Å; A348-T459 HydrophobicContact CB-CG2 4.36Å; I429-T459 HydrophobicContact CD1-CG2 4.08Å; T459-A463 PolarHBondContact O-N 3.16Å
460	S	87.3	Confident	92	Very high	19 Å²	19	21.4 Å²	21.4	13%	0.133	12%	0.121	C	C	.	.	H	α-helix	trans	-75.7	-53.8	175.1	-59.3	0	0	0	0	111.2	A157 R184 C458 H462 A463 I464	A157-S460 PolarHBondContact O-OG 2.89Å; R184-S460 PolarHBondContact NH1-OG 3.02Å; C458-S460 PolarHBondContact O-N 3.45Å; C458-S460 VanDerWaalsContact O-N 3.1Å; S460-H462 PolarHBondContact O-N 3.17Å; S460-A463 WeakPolarHBondContact O-CB 3.47Å; S460-A463 PolarHBondContact O-N 2.89Å; S460-I464 WeakPolarHBondContact O-CG1 3.3Å; S460-I464 PolarHBondContact O-N 2.95Å
461	C	92.2	Very high	92.5	Very high	9 Å²	9	19 Å²	19	6%	0.061	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-31.5	179.5	-62.6	0	0	0	0	112.8	V421 C422 L457 C458 I464 S465 M589	V421-C461 HydrophobicContact CB-CB 4.12Å; V421-C461 HydrophobicContact CG1-CB 4.25Å; V421-C461 HydrophobicContact CG2-CB 4.49Å; C422-C461 PolarHBondContact SG-SG 3.34Å; L457-C461 HydrophobicContact CB-CB 4.45Å; L457-C461 HydrophobicContact CD2-CB 4.24Å; C458-C461 PolarHBondContact O-N 3.24Å; C461-I464 PolarHBondContact O-N 3.08Å; C461-S465 WeakPolarHBondContact O-CB 3.16Å; C461-S465 PolarHBondContact O-N 3.06Å; C461-M589 HydrophobicContact CB-CE 4.01Å; C461-M589 WeakPolarHBondContact O-CE 3.13Å
462	H	92.9	Very high	92.9	Very high	19 Å²	19	16.5 Å²	16.5	9%	0.088	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-38.1	173.7	-170.8	-77	0	0	0	112.5	Y346 I429 L457 C458 S460 N466	Y346-H462 AromaticContact CE1-CE1 3.54Å; Y346-H462 AromaticContact CE1-ND1 3.35Å; Y346-H462 VanDerWaalsContact CE1-ND1 3.35Å; Y346-H462 WeakPolarHBondContact CE1-ND1 3.42Å; Y346-H462 AromaticContact CZ-ND1 3.61Å; I429-H462 HydrophobicContact CD1-CB 3.89Å; L457-H462 HydrophobicContact CB-CB 3.97Å; L457-H462 HydrophobicContact CD1-CB 4.34Å; C458-H462 WeakPolarHBondContact O-CB 3.43Å; C458-H462 PolarHBondContact O-N 2.83Å; S460-H462 PolarHBondContact O-N 3.17Å; H462-N466 PolarHBondContact CE1-ND2 3.28Å; H462-N466 VanDerWaalsContact CE1-ND2 3.28Å; H462-N466 PolarHBondContact ND1-ND2 3.03Å; H462-N466 WeakPolarHBondContact O-CB 3.48Å; H462-N466 VanDerWaalsContact O-CG 3.32Å; H462-N466 PolarHBondContact O-N 3.33Å
463	A	90	Very high	93	Very high	7 Å²	7	17.9 Å²	17.9	6%	0.058	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-44	174.6	0	0	0	0	0	111.5	V182 T459 S460 N466 Y467	V182-A463 HydrophobicContact CB-CB 3.98Å; V182-A463 HydrophobicContact CG1-CB 4.28Å; V182-A463 HydrophobicContact CG2-CB 3.8Å; T459-A463 PolarHBondContact O-N 3.16Å; S460-A463 WeakPolarHBondContact O-CB 3.47Å; S460-A463 PolarHBondContact O-N 2.89Å; A463-N466 PolarHBondContact O-N 2.78Å; A463-Y467 PolarHBondContact O-N 3.11Å; A463-Y467 VanDerWaalsContact O-N 3.12Å
464	I	93.1	Very high	92.8	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-45.9	177.5	-63.1	178.5	0	0	0	111	L153 N154 A157 S460 C461 N466 Y467 Y468 M589	L153-I464 HydrophobicContact CB-CD1 4.23Å; L153-I464 HydrophobicContact CB-CG1 4.15Å; L153-I464 HydrophobicContact CB-CG2 4.38Å; L153-I464 HydrophobicContact CD2-CB 4.47Å; L153-I464 HydrophobicContact CD2-CG1 4.42Å; L153-I464 HydrophobicContact CD2-CG2 4Å; N154-I464 WeakPolarHBondContact OD1-CD1 3.16Å; A157-I464 HydrophobicContact CB-CD1 4.39Å; A157-I464 HydrophobicContact CB-CG1 4.43Å; S460-I464 WeakPolarHBondContact O-CG1 3.3Å; S460-I464 PolarHBondContact O-N 2.95Å; C461-I464 PolarHBondContact O-N 3.08Å; I464-N466 VanDerWaalsContact C-N 3.32Å; I464-N466 PolarHBondContact O-N 3.3Å; I464-Y467 WeakPolarHBondContact O-CB 3.26Å; I464-Y467 PolarHBondContact O-N 3.31Å; I464-Y467 VanDerWaalsContact O-N 3.16Å; I464-Y468 HydrophobicContact CG2-CD2 3.93Å; I464-Y468 HydrophobicContact CG2-CE2 3.55Å; I464-Y468 VanDerWaalsContact O-CD2 3.26Å; I464-Y468 WeakPolarHBondContact O-CD2 3.4Å; I464-Y468 PolarHBondContact O-N 3.03Å; I464-M589 HydrophobicContact CB-CE 4.26Å; I464-M589 HydrophobicContact CG2-CE 4.12Å; I464-M589 HydrophobicContact CG2-SD 4.01Å
465	S	95.5	Very high	92.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-44.2	173.6	170.5	0	0	0	0	111.3	K431 C461 Y467 Y468 D469 M589	K431-S465 WeakPolarHBondContact CE-OG 3.21Å; K431-S465 PolarHBondContact NZ-OG 3.4Å; C461-S465 WeakPolarHBondContact O-CB 3.16Å; C461-S465 PolarHBondContact O-N 3.06Å; S465-Y467 VanDerWaalsContact C-N 3.27Å; S465-Y467 PolarHBondContact O-N 3.22Å; S465-Y468 PolarHBondContact O-N 2.79Å; S465-D469 WeakPolarHBondContact O-CB 3.18Å; S465-D469 PolarHBondContact O-N 2.87Å; S465-D469 PolarHBondContact OG-OD1 2.93Å; S465-D469 VanDerWaalsContact OG-OD1 3.13Å; S465-M589 WeakPolarHBondContact CA-SD 3.39Å
466	N	93.9	Very high	92.9	Very high	45 Å²	45	23.8 Å²	23.8	24%	0.241	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-30.2	178.2	-80.5	-0.2	0	0	0	113.8	Y346 K431 H462 A463 I464 N470	Y346-N466 PolarHBondContact OH-ND2 3.27Å; K431-N466 PolarHBondContact NZ-OD1 2.99Å; H462-N466 PolarHBondContact CE1-ND2 3.28Å; H462-N466 VanDerWaalsContact CE1-ND2 3.28Å; H462-N466 PolarHBondContact ND1-ND2 3.03Å; H462-N466 WeakPolarHBondContact O-CB 3.48Å; H462-N466 VanDerWaalsContact O-CG 3.32Å; H462-N466 PolarHBondContact O-N 3.33Å; A463-N466 PolarHBondContact O-N 2.78Å; I464-N466 VanDerWaalsContact C-N 3.32Å; I464-N466 PolarHBondContact O-N 3.3Å; N466-N470 WeakPolarHBondContact O-CB 3.41Å; N466-N470 PolarHBondContact O-N 2.88Å; N466-N470 VanDerWaalsContact O-N 3.1Å; N466-N470 PolarHBondContact O-ND2 3.28Å; N466-N470 VanDerWaalsContact O-ND2 3.16Å
467	Y	94.1	Very high	92.8	Very high	28 Å²	28	24.1 Å²	24.1	11%	0.11	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-52.5	171.5	168.3	-97.6	0	0	0	111.1	T147 L148 L153 Y179 A463 I464 S465 N470 H471	T147-Y467 HydrophobicContact CG2-CE1 4.31Å; L148-Y467 HydrophobicContact CB-CE1 4.4Å; L148-Y467 WeakPolarHBondContact CB-OH 3.5Å; L148-Y467 PolarHBondContact N-OH 3.48Å; L153-Y467 HydrophobicContact CD1-CE1 4.32Å; L153-Y467 HydrophobicContact CD2-CD1 3.35Å; L153-Y467 HydrophobicContact CD2-CE1 3.95Å; L153-Y467 HydrophobicContact CD2-CG 3.73Å; Y179-Y467 WeakPolarHBondContact O-CD2 3.25Å; Y179-Y467 WeakPolarHBondContact O-CE2 3.36Å; A463-Y467 PolarHBondContact O-N 3.11Å; A463-Y467 VanDerWaalsContact O-N 3.12Å; I464-Y467 WeakPolarHBondContact O-CB 3.26Å; I464-Y467 PolarHBondContact O-N 3.31Å; I464-Y467 VanDerWaalsContact O-N 3.16Å; S465-Y467 VanDerWaalsContact C-N 3.27Å; S465-Y467 PolarHBondContact O-N 3.22Å; Y467-N470 PolarHBondContact O-N 2.92Å; Y467-H471 PolarHBondContact O-N 3.5Å; Y467-H471 VanDerWaalsContact O-N 3.17Å
468	Y	96.4	Very high	92.7	Very high	11 Å²	11	31.9 Å²	31.9	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-43.1	179.8	-68	-61.7	0	0	0	112.7	T147 L148 R150 L153 I464 S465 N470 H471 L472 H584 M589	T147-Y468 HydrophobicContact CG2-CD1 3.98Å; T147-Y468 HydrophobicContact CG2-CE1 4.21Å; L148-Y468 PolarHBondContact O-OH 2.96Å; R150-Y468 WeakPolarHBondContact CA-OH 3.44Å; R150-Y468 WeakPolarHBondContact CB-OH 3.22Å; R150-Y468 HydrophobicContact CG-CE2 4.47Å; R150-Y468 PolarHBondContact N-OH 3.33Å; L153-Y468 HydrophobicContact CD2-CE2 4.18Å; I464-Y468 HydrophobicContact CG2-CD2 3.93Å; I464-Y468 HydrophobicContact CG2-CE2 3.55Å; I464-Y468 VanDerWaalsContact O-CD2 3.26Å; I464-Y468 WeakPolarHBondContact O-CD2 3.4Å; I464-Y468 PolarHBondContact O-N 3.03Å; S465-Y468 PolarHBondContact O-N 2.79Å; Y468-N470 VanDerWaalsContact C-N 3.34Å; Y468-N470 PolarHBondContact O-N 2.87Å; Y468-H471 WeakPolarHBondContact O-CB 3.1Å; Y468-H471 PolarHBondContact O-N 3.28Å; Y468-L472 PolarHBondContact O-N 2.81Å; Y468-H584 WeakPolarHBondContact CA-NE2 3.44Å; Y468-H584 WeakPolarHBondContact CB-CE1 3.36Å; Y468-H584 VanDerWaalsContact CB-NE2 3.31Å; Y468-H584 WeakPolarHBondContact CB-NE2 2.96Å; Y468-H584 PolarHBondContact O-CE1 3.28Å; Y468-H584 PolarHBondContact O-NE2 3.41Å; Y468-M589 HydrophobicContact CD2-SD 4.23Å
469	D	95.4	Very high	92.9	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.032	18%	0.176	C	C	.	.	H	α-helix	trans	-48.8	-55.2	169.9	-85.5	51.3	0	0	0	110.8	K431 S465 H471 L472 K473 W581 H584	K431-D469 IonicContact NZ-OD1 2.57Å; K431-D469 PolarHBondContact NZ-OD1 3.27Å; K431-D469 IonicContact NZ-OD2 3.13Å; K431-D469 PolarHBondContact NZ-OD2 3.12Å; S465-D469 WeakPolarHBondContact O-CB 3.18Å; S465-D469 PolarHBondContact O-N 2.87Å; S465-D469 PolarHBondContact OG-OD1 2.93Å; S465-D469 VanDerWaalsContact OG-OD1 3.13Å; D469-H471 PolarHBondContact O-N 3.27Å; D469-L472 PolarHBondContact O-N 2.8Å; D469-K473 WeakPolarHBondContact O-CG 3.48Å; D469-K473 PolarHBondContact O-N 3.3Å; D469-W581 HydrophobicContact CB-CH2 4.43Å; D469-W581 HydrophobicContact CB-CZ3 4.13Å; D469-H584 WeakPolarHBondContact CA-NE2 3.23Å; D469-H584 PolarHBondContact N-NE2 2.98Å; D469-H584 IonicContact OD1-NE2 2.67Å
470	N	92.4	Very high	93.1	Very high	88 Å²	88	36 Å²	36	47%	0.471	17%	0.173	S	C	.	.	H	α-helix	trans	-60.3	-34.5	-176.6	-75.5	-20.4	0	0	0	111.9	N466 Y467 Y468 K473 Q474	N466-N470 WeakPolarHBondContact O-CB 3.41Å; N466-N470 PolarHBondContact O-N 2.88Å; N466-N470 VanDerWaalsContact O-N 3.1Å; N466-N470 PolarHBondContact O-ND2 3.28Å; N466-N470 VanDerWaalsContact O-ND2 3.16Å; Y467-N470 PolarHBondContact O-N 2.92Å; Y468-N470 VanDerWaalsContact C-N 3.34Å; Y468-N470 PolarHBondContact O-N 2.87Å; N470-K473 PolarHBondContact O-N 3.21Å; N470-Q474 WeakPolarHBondContact O-CG 3.35Å; N470-Q474 PolarHBondContact O-N 3.48Å; N470-Q474 VanDerWaalsContact O-N 3.09Å
471	H	92.3	Very high	93.2	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.185	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-46.2	172.9	-170.4	-92.2	0	0	0	112.2	G145 T147 Y467 Y468 D469 K473 Q474 Q475	G145-H471 PolarHBondContact O-CE1 3.27Å; G145-H471 PolarHBondContact O-NE2 3.24Å; T147-H471 HydrophobicContact CG2-CB 3.7Å; T147-H471 WeakPolarHBondContact CG2-ND1 3.37Å; Y467-H471 PolarHBondContact O-N 3.5Å; Y467-H471 VanDerWaalsContact O-N 3.17Å; Y468-H471 WeakPolarHBondContact O-CB 3.1Å; Y468-H471 PolarHBondContact O-N 3.28Å; D469-H471 PolarHBondContact O-N 3.27Å; H471-K473 VanDerWaalsContact C-N 3.31Å; H471-K473 PolarHBondContact O-N 2.82Å; H471-Q474 PolarHBondContact O-N 3.31Å; H471-Q474 VanDerWaalsContact O-N 3.11Å; H471-Q475 PolarHBondContact CE1-NE2 3.16Å; H471-Q475 PolarHBondContact O-N 2.87Å
472	L	95.3	Very high	93	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-40.9	173.9	175.6	58.9	0	0	0	111.5	Y468 D469 Q474 Q475 L476 W581 H584	Y468-L472 PolarHBondContact O-N 2.81Å; D469-L472 PolarHBondContact O-N 2.8Å; L472-Q474 VanDerWaalsContact C-N 3.28Å; L472-Q474 PolarHBondContact O-N 2.67Å; L472-Q475 WeakPolarHBondContact O-CB 3.18Å; L472-Q475 PolarHBondContact O-N 2.81Å; L472-Q475 VanDerWaalsContact O-N 3.09Å; L472-L476 HydrophobicContact CD1-CD1 4.39Å; L472-L476 HydrophobicContact CD1-CD2 4.37Å; L472-L476 HydrophobicContact CD1-CG 4.06Å; L472-L476 HydrophobicContact CG-CD1 4.1Å; L472-L476 HydrophobicContact CG-CG 4.27Å; L472-L476 VanDerWaalsContact O-CG 3.3Å; L472-L476 WeakPolarHBondContact O-CG 3.47Å; L472-L476 PolarHBondContact O-N 2.89Å; L472-W581 HydrophobicContact CB-CH2 4.16Å; L472-W581 HydrophobicContact CD2-CD2 3.85Å; L472-W581 HydrophobicContact CD2-CE3 3.77Å; L472-W581 HydrophobicContact CD2-CH2 3.81Å; L472-W581 HydrophobicContact CD2-CZ2 3.91Å; L472-W581 HydrophobicContact CD2-CZ3 3.76Å; L472-W581 HydrophobicContact CG-CH2 4.01Å; L472-W581 HydrophobicContact CG-CZ2 4.06Å; L472-W581 HydrophobicContact CG-CZ3 4.41Å; L472-H584 HydrophobicContact CD2-CB 3.7Å
473	K	94.1	Very high	92.5	Very high	30 Å²	30	43.3 Å²	43.3	13%	0.13	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-38.7	174.9	-56.9	-175.8	-164	-179.1	0	112.3	E437 Y438 D469 N470 H471 L476 A477 I484 W581	E437-K473 WeakPolarHBondContact OE1-CE 3.42Å; E437-K473 IonicContact OE1-NZ 3.94Å; E437-K473 PolarHBondContact OE1-NZ 2.79Å; Y438-K473 WeakPolarHBondContact OH-CG 3.48Å; D469-K473 WeakPolarHBondContact O-CG 3.48Å; D469-K473 PolarHBondContact O-N 3.3Å; N470-K473 PolarHBondContact O-N 3.21Å; H471-K473 VanDerWaalsContact C-N 3.31Å; H471-K473 PolarHBondContact O-N 2.82Å; K473-L476 PolarHBondContact O-N 3.43Å; K473-A477 VanDerWaalsContact O-CB 3.22Å; K473-A477 WeakPolarHBondContact O-CB 3.5Å; K473-A477 PolarHBondContact O-N 3.2Å; K473-I484 HydrophobicContact CB-CD1 3.63Å; K473-I484 WeakPolarHBondContact O-CD1 3.39Å; K473-W581 HydrophobicContact CG-CH2 3.75Å; K473-W581 HydrophobicContact CG-CZ2 4Å
474	Q	91.3	Very high	92.1	Very high	87 Å²	87	46 Å²	46	41%	0.407	22%	0.222	S	C	.	.	H	α-helix	trans	-70.7	-29.1	176.2	-67.5	-65.3	-17.6	0	0	112.8	N470 H471 L472 K478	N470-Q474 WeakPolarHBondContact O-CG 3.35Å; N470-Q474 PolarHBondContact O-N 3.48Å; N470-Q474 VanDerWaalsContact O-N 3.09Å; H471-Q474 PolarHBondContact O-N 3.31Å; H471-Q474 VanDerWaalsContact O-N 3.11Å; L472-Q474 VanDerWaalsContact C-N 3.28Å; L472-Q474 PolarHBondContact O-N 2.67Å; Q474-K478 WeakPolarHBondContact O-CG 3.3Å; Q474-K478 PolarHBondContact O-N 2.83Å
475	Q	93.1	Very high	90.8	Very high	68 Å²	68	49.1 Å²	49.1	32%	0.318	26%	0.255	S	S	.	.	H	α-helix	trans	-67.9	-53.5	168.9	-68.7	174.7	-32.1	0	0	110.8	H471 L472 A477 K478 E479	H471-Q475 PolarHBondContact CE1-NE2 3.16Å; H471-Q475 PolarHBondContact O-N 2.87Å; L472-Q475 WeakPolarHBondContact O-CB 3.18Å; L472-Q475 PolarHBondContact O-N 2.81Å; L472-Q475 VanDerWaalsContact O-N 3.09Å; Q475-A477 PolarHBondContact O-N 2.82Å; Q475-K478 PolarHBondContact O-N 3.13Å; Q475-E479 WeakPolarHBondContact O-CG 3.22Å; Q475-E479 PolarHBondContact O-N 3.24Å
476	L	95.1	Very high	89.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-38.2	175.2	-63.4	172	0	0	0	112.1	Y438 L472 K473 K478 F480 V562 L577 W581	Y438-L476 HydrophobicContact CE1-CD1 4.28Å; L472-L476 HydrophobicContact CD1-CD1 4.39Å; L472-L476 HydrophobicContact CD1-CD2 4.37Å; L472-L476 HydrophobicContact CD1-CG 4.06Å; L472-L476 HydrophobicContact CG-CD1 4.1Å; L472-L476 HydrophobicContact CG-CG 4.27Å; L472-L476 VanDerWaalsContact O-CG 3.3Å; L472-L476 WeakPolarHBondContact O-CG 3.47Å; L472-L476 PolarHBondContact O-N 2.89Å; K473-L476 PolarHBondContact O-N 3.43Å; L476-K478 VanDerWaalsContact C-N 3.34Å; L476-K478 PolarHBondContact O-N 2.39Å; L476-F480 HydrophobicContact CB-CD2 4.3Å; L476-F480 HydrophobicContact CD2-CD2 4.15Å; L476-F480 HydrophobicContact CD2-CE2 3.64Å; L476-F480 WeakPolarHBondContact O-CD2 3.41Å; L476-F480 PolarHBondContact O-N 3.28Å; L476-V562 HydrophobicContact CB-CG2 4.42Å; L476-L577 HydrophobicContact CD2-CD1 4.38Å; L476-W581 HydrophobicContact CD1-CZ2 3.64Å
477	A	92.4	Very high	87.5	Confident	7 Å²	7	55.9 Å²	55.9	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-37.2	177.5	0	0	0	0	0	112.9	K473 Q475 Q481 A482 I484	K473-A477 VanDerWaalsContact O-CB 3.22Å; K473-A477 WeakPolarHBondContact O-CB 3.5Å; K473-A477 PolarHBondContact O-N 3.2Å; Q475-A477 PolarHBondContact O-N 2.82Å; A477-Q481 CarbonylContact O-C 3.45Å; A477-Q481 WeakPolarHBondContact O-CA 3.26Å; A477-Q481 PolarHBondContact O-N 3.46Å; A477-A482 VanDerWaalsContact CA-O 3.26Å; A477-A482 WeakPolarHBondContact CA-O 3.13Å; A477-A482 WeakPolarHBondContact CB-O 3.36Å; A477-A482 PolarHBondContact O-N 3.19Å; A477-I484 HydrophobicContact CB-CD1 3.94Å; A477-I484 HydrophobicContact CB-CG1 4.02Å
478	K	91.8	Very high	85.8	Confident	162 Å²	162	61.2 Å²	61.2	70%	0.704	32%	0.315	S	S	*	.	H	α-helix	trans	-75.9	-49.4	175.8	-68.7	171	-177.9	179	0	111.3	Q474 Q475 L476 F480 Q481	Q474-K478 WeakPolarHBondContact O-CG 3.3Å; Q474-K478 PolarHBondContact O-N 2.83Å; Q475-K478 PolarHBondContact O-N 3.13Å; L476-K478 VanDerWaalsContact C-N 3.34Å; L476-K478 PolarHBondContact O-N 2.39Å; K478-F480 PolarHBondContact O-N 2.8Å; K478-Q481 PolarHBondContact O-N 2.75Å
479	E	94	Very high	84	Confident	95 Å²	95	61.7 Å²	61.7	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-43.9	-176.7	-70	167.4	-146	0	0	112.6	Q475 R580	Q475-E479 WeakPolarHBondContact O-CG 3.22Å; Q475-E479 PolarHBondContact O-N 3.24Å; E479-R580 VanDerWaalsContact CD-NH2 3.3Å; E479-R580 IonicContact OE1-CZ 3.15Å; E479-R580 IonicContact OE1-NH1 3.29Å; E479-R580 IonicContact OE1-NH2 2.87Å; E479-R580 PolarHBondContact OE1-NH2 3.42Å; E479-R580 IonicContact OE2-CZ 3.28Å; E479-R580 VanDerWaalsContact OE2-CZ 3.29Å; E479-R580 IonicContact OE2-NH1 2.83Å; E479-R580 PolarHBondContact OE2-NH1 3.04Å; E479-R580 IonicContact OE2-NH2 2.67Å; E479-R580 PolarHBondContact OE2-NH2 3.49Å
480	F	92.1	Very high	82.8	Confident	26 Å²	26	65.1 Å²	65.1	11%	0.114	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.4	-177	-54.6	-61.5	0	0	0	113.6	L476 K478 A482 V562 Y565 H566	L476-F480 HydrophobicContact CB-CD2 4.3Å; L476-F480 HydrophobicContact CD2-CD2 4.15Å; L476-F480 HydrophobicContact CD2-CE2 3.64Å; L476-F480 WeakPolarHBondContact O-CD2 3.41Å; L476-F480 PolarHBondContact O-N 3.28Å; K478-F480 PolarHBondContact O-N 2.8Å; F480-A482 PolarHBondContact O-N 2.65Å; F480-A482 VanDerWaalsContact O-N 3.13Å; F480-V562 HydrophobicContact CB-CG2 4.24Å; F480-V562 HydrophobicContact CD2-CG1 3.93Å; F480-V562 HydrophobicContact CD2-CG2 4.14Å; F480-V562 HydrophobicContact CE2-CG1 4.31Å; F480-Y565 AromaticContact CD1-CD1 3.31Å; F480-Y565 HydrophobicContact CD1-CD1 3.31Å; F480-Y565 HydrophobicContact CD1-CD2 4.11Å; F480-Y565 AromaticContact CD1-CE1 3.61Å; F480-Y565 HydrophobicContact CD1-CE1 3.61Å; F480-Y565 HydrophobicContact CD1-CE2 4.34Å; F480-Y565 AromaticContact CD1-CG 3.6Å; F480-Y565 HydrophobicContact CD1-CG 3.6Å; F480-Y565 AromaticContact CE1-CD1 3.34Å; F480-Y565 HydrophobicContact CE1-CD1 3.34Å; F480-Y565 AromaticContact CE1-CE1 3.36Å; F480-Y565 HydrophobicContact CE1-CE1 3.36Å; F480-Y565 HydrophobicContact CE1-CG 4.13Å; F480-Y565 HydrophobicContact CG-CD1 4.38Å; F480-Y565 HydrophobicContact CG-CG 4.43Å; F480-Y565 HydrophobicContact CZ-CD1 4.41Å; F480-H566 AromaticContact CE2-NE2 3.66Å; F480-H566 AromaticContact CZ-NE2 3.35Å; F480-H566 VanDerWaalsContact CZ-NE2 3.35Å; F480-H566 WeakPolarHBondContact CZ-NE2 3.43Å
481	Q	89.8	Confident	81.9	Confident	150 Å²	150	69.4 Å²	69.4	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	40.3	-179.8	-55	177.7	13.7	0	0	112.7	A477 K478 P483 K561	A477-Q481 CarbonylContact O-C 3.45Å; A477-Q481 WeakPolarHBondContact O-CA 3.26Å; A477-Q481 PolarHBondContact O-N 3.46Å; K478-Q481 PolarHBondContact O-N 2.75Å; Q481-P483 WeakPolarHBondContact O-CD 3.45Å; Q481-K561 VanDerWaalsContact O-CE 3.26Å; Q481-K561 WeakPolarHBondContact O-CE 3.27Å; Q481-K561 PolarHBondContact O-NZ 3.38Å
482	A	89	Confident	81.3	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.008	36%	0.364	C	S	.	.			trans	-111.9	76.6	-175.2	0	0	0	0	0	109.5	A477 F480 H558 K561 V562	A477-A482 VanDerWaalsContact CA-O 3.26Å; A477-A482 WeakPolarHBondContact CA-O 3.13Å; A477-A482 WeakPolarHBondContact CB-O 3.36Å; A477-A482 PolarHBondContact O-N 3.19Å; F480-A482 PolarHBondContact O-N 2.65Å; F480-A482 VanDerWaalsContact O-N 3.13Å; A482-H558 PolarHBondContact O-ND1 3.05Å; A482-K561 HydrophobicContact CB-CB 3.96Å; A482-K561 HydrophobicContact CB-CD 4.04Å; A482-K561 HydrophobicContact CB-CG 4.09Å; A482-V562 HydrophobicContact CB-CG2 3.92Å
483	P	82.5	Confident	80.7	Confident	49 Å²	49	74.1 Å²	74.1	32%	0.318	38%	0.376	S	S	.	.			trans	-63.6	144.5	-169.5	27.1	-36.3	0	0	0	112.6	Q481 S486	Q481-P483 WeakPolarHBondContact O-CD 3.45Å; P483-S486 WeakPolarHBondContact CB-OG 3.41Å; P483-S486 WeakPolarHBondContact CG-OG 3.41Å
484	I	80.4	Confident	80.1	Confident	65 Å²	65	76.4 Å²	76.4	33%	0.333	39%	0.387	S	S	.	.	S	Bend	trans	-109.7	115.1	177	-62.1	168.4	0	0	0	107.8	K473 A477 H558	K473-I484 HydrophobicContact CB-CD1 3.63Å; K473-I484 WeakPolarHBondContact O-CD1 3.39Å; A477-I484 HydrophobicContact CB-CD1 3.94Å; A477-I484 HydrophobicContact CB-CG1 4.02Å; I484-H558 HydrophobicContact CG1-CB 4.04Å
485	G	66.9	Low	79.8	Confident	69 Å²	69	73.4 Å²	73.4	71%	0.711	37%	0.374	S	S	*	.	S	Bend	trans	79.3	13.3	176.3	0	0	0	0	0	115.8
486	S	62	Low	79.6	Confident	36 Å²	36	75 Å²	75	25%	0.252	39%	0.39	S	S	.	.	S	Bend	trans	-71.9	165.3	160.2	64.1	0	0	0	0	110.6	P483 E488 G489 L490	P483-S486 WeakPolarHBondContact CB-OG 3.41Å; P483-S486 WeakPolarHBondContact CG-OG 3.41Å; S486-E488 VanDerWaalsContact C-N 3.28Å; S486-E488 PolarHBondContact O-N 3.05Å; S486-G489 CarbonylContact O-C 3.6Å; S486-G489 WeakPolarHBondContact O-CA 2.78Å; S486-G489 PolarHBondContact O-N 3.18Å; S486-G489 PolarHBondContact OG-N 3.17Å; S486-L490 PolarHBondContact O-N 3.46Å
487	E	57.5	Low	79.3	Confident	152 Å²	152	79.8 Å²	79.8	71%	0.71	41%	0.413	S	S	*	.	S	Bend	trans	-61.4	-38.1	174.3	-63.3	-172.3	155.3	0	0	111.8	G489 L490 L493	E487-G489 PolarHBondContact O-N 2.88Å; E487-L490 WeakPolarHBondContact O-CB 3.31Å; E487-L490 PolarHBondContact O-N 3.39Å; E487-L493 HydrophobicContact CB-CD2 4.2Å
488	E	57.6	Low	79.3	Confident	140 Å²	140	83.3 Å²	83.3	65%	0.654	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.3	170.1	-55.7	163.8	164.6	0	0	112.4	S486 L490 N552	S486-E488 VanDerWaalsContact C-N 3.28Å; S486-E488 PolarHBondContact O-N 3.05Å; E488-L490 VanDerWaalsContact C-N 3.3Å; E488-L490 PolarHBondContact O-N 3.45Å; E488-N552 PolarHBondContact O-ND2 3.14Å
489	G	59.2	Low	79.3	Confident	20 Å²	20	82.2 Å²	82.2	21%	0.206	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	7.3	175.8	0	0	0	0	0	114.8	S486 E487 Y555	S486-G489 CarbonylContact O-C 3.6Å; S486-G489 WeakPolarHBondContact O-CA 2.78Å; S486-G489 PolarHBondContact O-N 3.18Å; S486-G489 PolarHBondContact OG-N 3.17Å; E487-G489 PolarHBondContact O-N 2.88Å; G489-Y555 WeakPolarHBondContact O-CE2 3.12Å
490	L	69.5	Low	79.2	Confident	79 Å²	79	82.6 Å²	82.6	41%	0.414	42%	0.418	S	S	.	.			trans	-94.4	124.9	172.8	-61.4	179	0	0	0	110.8	S486 E487 E488 L492 L493 N552	S486-L490 PolarHBondContact O-N 3.46Å; E487-L490 WeakPolarHBondContact O-CB 3.31Å; E487-L490 PolarHBondContact O-N 3.39Å; E488-L490 VanDerWaalsContact C-N 3.3Å; E488-L490 PolarHBondContact O-N 3.45Å; L490-L492 PolarHBondContact O-N 2.85Å; L490-L493 HydrophobicContact CB-CD2 4.39Å; L490-N552 VanDerWaalsContact O-CB 3.23Å; L490-N552 WeakPolarHBondContact O-CB 3.46Å; L490-N552 PolarHBondContact O-ND2 3.38Å
491	R	75.1	Confident	79.3	Confident	178 Å²	178	81.4 Å²	81.4	67%	0.672	41%	0.413	S	S	*	.	S	Bend	trans	-63.3	-30.4	172.3	-175.1	177.1	179.3	-172.3	0.8	112.9	N552 Y555	R491-N552 PolarHBondContact O-N 3.15Å; R491-Y555 HydrophobicContact CB-CD1 3.74Å; R491-Y555 HydrophobicContact CB-CD2 4.48Å; R491-Y555 HydrophobicContact CB-CE1 3.68Å; R491-Y555 HydrophobicContact CB-CE2 4.45Å; R491-Y555 HydrophobicContact CB-CG 4.14Å; R491-Y555 HydrophobicContact CG-CD1 3.84Å; R491-Y555 HydrophobicContact CG-CE1 3.96Å
492	L	79.6	Confident	79.6	Confident	90 Å²	90	76.9 Å²	76.9	47%	0.471	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.8	177.7	-65.1	175.9	0	0	0	108.9	L490 R549 I550	L490-L492 PolarHBondContact O-N 2.85Å; L492-R549 HydrophobicContact CB-CB 4.33Å; L492-R549 HydrophobicContact CD1-CB 4.44Å; L492-I550 VanDerWaalsContact CA-O 3.28Å; L492-I550 WeakPolarHBondContact CA-O 3.34Å
493	L	81.3	Confident	79.8	Confident	53 Å²	53	80.5 Å²	80.5	28%	0.277	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146	172.5	-72.2	167.6	0	0	0	109.6	E487 L490 D495 R549 I550 N552	E487-L493 HydrophobicContact CB-CD2 4.2Å; L490-L493 HydrophobicContact CB-CD2 4.39Å; L493-D495 PolarHBondContact O-N 2.71Å; L493-R549 CarbonylContact O-C 3.44Å; L493-R549 VanDerWaalsContact O-CA 3.29Å; L493-R549 WeakPolarHBondContact O-CA 3.37Å; L493-I550 PolarHBondContact N-O 3.35Å; L493-I550 PolarHBondContact O-N 2.81Å; L493-N552 HydrophobicContact CD1-CB 3.82Å; L493-N552 HydrophobicContact CG-CB 3.97Å
494	E	81.4	Confident	80.3	Confident	78 Å²	78	78.3 Å²	78.3	36%	0.364	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.1	170.3	-173.1	163.8	-109.3	0	0	109.2	P496 R499 T548	E494-P496 WeakPolarHBondContact O-CD 3.38Å; E494-R499 HydrophobicContact CG-CB 4.46Å; E494-R499 VanDerWaalsContact OE2-CD 3.25Å; E494-R499 WeakPolarHBondContact OE2-CD 3.23Å; E494-R499 IonicContact OE2-CZ 3.28Å; E494-R499 IonicContact OE2-NE 2.76Å; E494-R499 IonicContact OE2-NH1 3.77Å; E494-R499 PolarHBondContact OE2-NH1 3.06Å; E494-T548 CarbonylContact C-O 3.59Å; E494-T548 WeakPolarHBondContact CA-O 3.41Å
495	D	86.2	Confident	81	Confident	23 Å²	23	75.2 Å²	75.2	12%	0.123	39%	0.385	C	S	.	.			trans	-71.2	116.5	176.8	-179.5	-41.6	0	0	0	108.8	L493 E497 R498 R499 T548 I550	L493-D495 PolarHBondContact O-N 2.71Å; D495-E497 PolarHBondContact OD1-N 3.35Å; D495-R498 HydrophobicContact CB-CB 3.96Å; D495-R498 HydrophobicContact CB-CG 4.03Å; D495-R498 WeakPolarHBondContact OD1-CG 3.46Å; D495-R498 PolarHBondContact OD1-N 3.32Å; D495-R498 WeakPolarHBondContact OD2-CD 3.49Å; D495-R498 VanDerWaalsContact OD2-CG 3.26Å; D495-R498 WeakPolarHBondContact OD2-CG 3.36Å; D495-R498 IonicContact OD2-NE 3.71Å; D495-R498 PolarHBondContact OD2-NE 3.2Å; D495-R498 VanDerWaalsContact OD2-NE 3.13Å; D495-R499 WeakPolarHBondContact O-CB 3.45Å; D495-R499 PolarHBondContact O-N 3.03Å; D495-T548 PolarHBondContact N-O 3.21Å; D495-I550 HydrophobicContact CB-CD1 4.07Å; D495-I550 HydrophobicContact CB-CG1 4.19Å; D495-I550 HydrophobicContact CB-CG2 4.18Å
496	P	87.4	Confident	82.2	Confident	102 Å²	102	77.6 Å²	77.6	66%	0.662	37%	0.372	S	S	*	.	H	α-helix	trans	-70	-35.2	-173.4	28.3	-34	0	0	0	112	E494 R499 Q500	E494-P496 WeakPolarHBondContact O-CD 3.38Å; P496-R499 PolarHBondContact O-N 2.9Å; P496-Q500 WeakPolarHBondContact O-CB 3.47Å; P496-Q500 PolarHBondContact O-N 3.4Å
497	E	89.9	Confident	83.7	Confident	101 Å²	101	77.3 Å²	77.3	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-69.9	-52.4	-179.3	-172.1	-176.7	-175.2	0	0	109.7	D495 R499 Q500 V501 F529	D495-E497 PolarHBondContact OD1-N 3.35Å; E497-R499 PolarHBondContact O-N 3.4Å; E497-Q500 WeakPolarHBondContact O-CB 3.39Å; E497-Q500 PolarHBondContact O-N 3.05Å; E497-V501 WeakPolarHBondContact O-CB 3.41Å; E497-V501 VanDerWaalsContact O-CG2 3.32Å; E497-V501 WeakPolarHBondContact O-CG2 3.42Å; E497-V501 PolarHBondContact O-N 3.25Å; E497-F529 HydrophobicContact CG-CD2 3.92Å
498	R	91.9	Very high	85.3	Confident	80 Å²	80	71.6 Å²	71.6	30%	0.302	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-36.9	172.9	-64.7	-178.5	-177.2	-136.5	-8.8	111.8	D495 R502 F529 L546 E547 T548	D495-R498 HydrophobicContact CB-CB 3.96Å; D495-R498 HydrophobicContact CB-CG 4.03Å; D495-R498 WeakPolarHBondContact OD1-CG 3.46Å; D495-R498 PolarHBondContact OD1-N 3.32Å; D495-R498 WeakPolarHBondContact OD2-CD 3.49Å; D495-R498 VanDerWaalsContact OD2-CG 3.26Å; D495-R498 WeakPolarHBondContact OD2-CG 3.36Å; D495-R498 IonicContact OD2-NE 3.71Å; D495-R498 PolarHBondContact OD2-NE 3.2Å; D495-R498 VanDerWaalsContact OD2-NE 3.13Å; R498-R502 VanDerWaalsContact O-CB 3.23Å; R498-R502 WeakPolarHBondContact O-CB 2.97Å; R498-R502 PolarHBondContact O-N 3Å; R498-F529 HydrophobicContact CG-CE2 3.77Å; R498-F529 HydrophobicContact CG-CZ 3.97Å; R498-L546 HydrophobicContact CB-CD2 3.69Å; R498-L546 HydrophobicContact CB-CG 4.25Å; R498-L546 HydrophobicContact CG-CD2 3.86Å; R498-L546 HydrophobicContact CG-CG 4.37Å; R498-E547 VanDerWaalsContact CD-O 3.28Å; R498-E547 WeakPolarHBondContact CD-O 3.3Å; R498-E547 PolarHBondContact NH1-O 3.21Å; R498-T548 HydrophobicContact CB-CG2 3.93Å; R498-T548 WeakPolarHBondContact O-CG2 3.16Å
499	R	92.6	Very high	86.9	Confident	139 Å²	139	67.6 Å²	67.6	53%	0.525	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175.6	172.3	171.7	166.1	-171.4	-10.9	111.9	E494 D495 P496 E497 S503 T548	E494-R499 HydrophobicContact CG-CB 4.46Å; E494-R499 VanDerWaalsContact OE2-CD 3.25Å; E494-R499 WeakPolarHBondContact OE2-CD 3.23Å; E494-R499 IonicContact OE2-CZ 3.28Å; E494-R499 IonicContact OE2-NE 2.76Å; E494-R499 IonicContact OE2-NH1 3.77Å; E494-R499 PolarHBondContact OE2-NH1 3.06Å; D495-R499 WeakPolarHBondContact O-CB 3.45Å; D495-R499 PolarHBondContact O-N 3.03Å; P496-R499 PolarHBondContact O-N 2.9Å; E497-R499 PolarHBondContact O-N 3.4Å; R499-S503 VanDerWaalsContact O-CB 3.3Å; R499-S503 WeakPolarHBondContact O-CB 3.47Å; R499-S503 PolarHBondContact O-N 3.32Å; R499-T548 HydrophobicContact CB-CG2 4.31Å
500	Q	92.3	Very high	88.2	Confident	103 Å²	103	72.7 Å²	72.7	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-51.8	175.5	177.7	170.9	-13.5	0	0	110.8	P496 E497 R502 S503 G504	P496-Q500 WeakPolarHBondContact O-CB 3.47Å; P496-Q500 PolarHBondContact O-N 3.4Å; E497-Q500 WeakPolarHBondContact O-CB 3.39Å; E497-Q500 PolarHBondContact O-N 3.05Å; Q500-R502 PolarHBondContact O-N 3.11Å; Q500-S503 PolarHBondContact O-N 3.34Å; Q500-S503 VanDerWaalsContact O-N 3.15Å; Q500-G504 PolarHBondContact O-N 3.23Å
501	V	94.1	Very high	88.8	Confident	1 Å²	1	71 Å²	71	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-53.8	-52.2	176.4	165.9	0	0	0	0	111.5	E497 S503 G504 A505 L526 F529 A543 L546	E497-V501 WeakPolarHBondContact O-CB 3.41Å; E497-V501 VanDerWaalsContact O-CG2 3.32Å; E497-V501 WeakPolarHBondContact O-CG2 3.42Å; E497-V501 PolarHBondContact O-N 3.25Å; V501-S503 VanDerWaalsContact C-N 3.33Å; V501-S503 PolarHBondContact O-N 3.26Å; V501-G504 PolarHBondContact O-N 3.47Å; V501-A505 WeakPolarHBondContact O-CB 3.34Å; V501-A505 PolarHBondContact O-N 2.71Å; V501-L526 HydrophobicContact CG1-CG 4.34Å; V501-F529 HydrophobicContact CB-CG 4.4Å; V501-F529 HydrophobicContact CG1-CD1 3.89Å; V501-F529 HydrophobicContact CG1-CE1 4.26Å; V501-F529 HydrophobicContact CG1-CG 4.2Å; V501-F529 HydrophobicContact CG2-CB 3.52Å; V501-F529 HydrophobicContact CG2-CD1 4.15Å; V501-F529 HydrophobicContact CG2-CD2 3.91Å; V501-F529 HydrophobicContact CG2-CG 3.59Å; V501-A543 HydrophobicContact CG1-CB 3.79Å; V501-L546 HydrophobicContact CB-CD2 4.39Å; V501-L546 HydrophobicContact CG1-CD2 3.91Å
502	R	94.9	Very high	88.9	Confident	55 Å²	55	72.1 Å²	72.1	21%	0.208	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-39.1	177.7	-175.1	178.4	74.3	-161.1	-11.3	112.9	R498 Q500 R506 A543 L546 T548	R498-R502 VanDerWaalsContact O-CB 3.23Å; R498-R502 WeakPolarHBondContact O-CB 2.97Å; R498-R502 PolarHBondContact O-N 3Å; Q500-R502 PolarHBondContact O-N 3.11Å; R502-R506 WeakPolarHBondContact O-CB 3.38Å; R502-R506 WeakPolarHBondContact O-CD 3.38Å; R502-R506 WeakPolarHBondContact O-CG 3.35Å; R502-R506 PolarHBondContact O-N 3.39Å; R502-R506 VanDerWaalsContact O-N 3.14Å; R502-A543 VanDerWaalsContact CA-O 3.26Å; R502-A543 WeakPolarHBondContact CA-O 3.44Å; R502-A543 WeakPolarHBondContact CB-O 3.36Å; R502-A543 WeakPolarHBondContact CG-O 2.99Å; R502-L546 HydrophobicContact CB-CB 4.4Å; R502-L546 VanDerWaalsContact CD-O 3.26Å; R502-L546 WeakPolarHBondContact CD-O 3.46Å; R502-L546 PolarHBondContact NH1-O 2.73Å; R502-L546 VanDerWaalsContact NH1-O 3.16Å; R502-T548 HydrophobicContact CB-CG2 4.08Å; R502-T548 VanDerWaalsContact CZ-OG1 3.23Å; R502-T548 PolarHBondContact NH1-OG1 3.09Å; R502-T548 PolarHBondContact NH2-OG1 3.32Å
503	S	93.1	Very high	89.2	Confident	78 Å²	78	72.9 Å²	72.9	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-69.1	-37.6	177	-165.6	0	0	0	0	111.7	R499 Q500 V501 A507	R499-S503 VanDerWaalsContact O-CB 3.3Å; R499-S503 WeakPolarHBondContact O-CB 3.47Å; R499-S503 PolarHBondContact O-N 3.32Å; Q500-S503 PolarHBondContact O-N 3.34Å; Q500-S503 VanDerWaalsContact O-N 3.15Å; V501-S503 VanDerWaalsContact C-N 3.33Å; V501-S503 PolarHBondContact O-N 3.26Å; S503-A507 PolarHBondContact O-N 2.89Å; S503-A507 VanDerWaalsContact O-N 3.08Å
504	G	93.6	Very high	89.4	Confident	2 Å²	2	73 Å²	73	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-66.2	-52.6	177.4	0	0	0	0	0	112.1	Q500 V501 R506 A507 L508	Q500-G504 PolarHBondContact O-N 3.23Å; V501-G504 PolarHBondContact O-N 3.47Å; G504-R506 VanDerWaalsContact C-N 3.32Å; G504-R506 PolarHBondContact O-N 2.71Å; G504-A507 WeakPolarHBondContact O-CB 3.37Å; G504-A507 PolarHBondContact O-N 3.43Å; G504-L508 WeakPolarHBondContact O-CG 3.45Å; G504-L508 PolarHBondContact O-N 3.25Å
505	A	94.1	Very high	89.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-56.9	-44	176.2	0	0	0	0	0	112.3	V501 A507 L508 L509 L526 L540 A543 A544	V501-A505 WeakPolarHBondContact O-CB 3.34Å; V501-A505 PolarHBondContact O-N 2.71Å; A505-A507 VanDerWaalsContact C-N 3.33Å; A505-A507 PolarHBondContact O-N 2.65Å; A505-L508 PolarHBondContact O-N 2.88Å; A505-L509 WeakPolarHBondContact O-CB 3.35Å; A505-L509 VanDerWaalsContact O-CG 3.31Å; A505-L509 WeakPolarHBondContact O-CG 3.49Å; A505-L509 PolarHBondContact O-N 2.66Å; A505-L526 HydrophobicContact CB-CD1 4.39Å; A505-L526 HydrophobicContact CB-CD2 4.31Å; A505-L540 HydrophobicContact CB-CD2 4.18Å; A505-L540 WeakPolarHBondContact CB-O 3.34Å; A505-A543 HydrophobicContact CB-CB 3.5Å; A505-A544 HydrophobicContact CB-CB 4.17Å
506	R	94.1	Very high	90	Very high	119 Å²	119	75.6 Å²	75.6	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-62.4	-37.3	174.5	-75	174.3	-177	-169.3	-0.1	113.2	R502 G504 N510 A544	R502-R506 WeakPolarHBondContact O-CB 3.38Å; R502-R506 WeakPolarHBondContact O-CD 3.38Å; R502-R506 WeakPolarHBondContact O-CG 3.35Å; R502-R506 PolarHBondContact O-N 3.39Å; R502-R506 VanDerWaalsContact O-N 3.14Å; G504-R506 VanDerWaalsContact C-N 3.32Å; G504-R506 PolarHBondContact O-N 2.71Å; R506-N510 WeakPolarHBondContact O-CB 3.09Å; R506-N510 PolarHBondContact O-N 3.26Å; R506-N510 PolarHBondContact O-ND2 2.71Å; R506-A544 HydrophobicContact CG-CB 3.75Å; R506-A544 VanDerWaalsContact CZ-O 3.26Å; R506-A544 PolarHBondContact NE-O 3.14Å; R506-A544 PolarHBondContact NH2-O 3.41Å
507	A	92.5	Very high	90.1	Very high	31 Å²	31	77.4 Å²	77.4	26%	0.256	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-47.1	174.5	0	0	0	0	0	110.9	S503 G504 A505 L509 N510 A511 L514 L522	S503-A507 PolarHBondContact O-N 2.89Å; S503-A507 VanDerWaalsContact O-N 3.08Å; G504-A507 WeakPolarHBondContact O-CB 3.37Å; G504-A507 PolarHBondContact O-N 3.43Å; A505-A507 VanDerWaalsContact C-N 3.33Å; A505-A507 PolarHBondContact O-N 2.65Å; A507-L509 VanDerWaalsContact C-N 3.3Å; A507-L509 PolarHBondContact O-N 2.87Å; A507-N510 PolarHBondContact O-N 3.22Å; A507-A511 WeakPolarHBondContact O-CB 3.33Å; A507-A511 PolarHBondContact O-N 2.74Å; A507-L514 HydrophobicContact CB-CD1 4.45Å; A507-L522 HydrophobicContact CB-CD1 3.88Å
508	L	91.6	Very high	90.1	Very high	32 Å²	32	77.3 Å²	77.3	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-37.3	178.3	-69.2	169.7	0	0	0	112.8	G504 A505 L514 K519 L522 L523 L526 L540	G504-L508 WeakPolarHBondContact O-CG 3.45Å; G504-L508 PolarHBondContact O-N 3.25Å; A505-L508 PolarHBondContact O-N 2.88Å; L508-L514 HydrophobicContact CD2-CD1 4.09Å; L508-K519 HydrophobicContact CD2-CG 3.67Å; L508-L522 HydrophobicContact CD1-CB 3.99Å; L508-L522 HydrophobicContact CD2-CB 4.26Å; L508-L522 HydrophobicContact CD2-CD1 4.5Å; L508-L522 HydrophobicContact CG-CB 4.13Å; L508-L522 HydrophobicContact CG-CD1 4.31Å; L508-L523 HydrophobicContact CD1-CD2 3.88Å; L508-L523 HydrophobicContact CD1-CG 4.16Å; L508-L523 HydrophobicContact CD2-CG 4.4Å; L508-L526 HydrophobicContact CD1-CD1 4.14Å; L508-L540 HydrophobicContact CB-CD2 4Å; L508-L540 HydrophobicContact CD1-CD2 3.58Å; L508-L540 HydrophobicContact CG-CD2 4.44Å
509	L	90.5	Very high	90	Very high	56 Å²	56	78.8 Å²	78.8	29%	0.293	41%	0.411	S	S	.	.	H	α-helix	trans	-79.3	-26.7	179	-71	173.9	0	0	0	115.2	A505 A507 E537 L540 Q541 A544	A505-L509 WeakPolarHBondContact O-CB 3.35Å; A505-L509 VanDerWaalsContact O-CG 3.31Å; A505-L509 WeakPolarHBondContact O-CG 3.49Å; A505-L509 PolarHBondContact O-N 2.66Å; A507-L509 VanDerWaalsContact C-N 3.3Å; A507-L509 PolarHBondContact O-N 2.87Å; L509-E537 WeakPolarHBondContact CD2-OE1 3.33Å; L509-L540 HydrophobicContact CD1-CB 4.34Å; L509-L540 HydrophobicContact CD2-CB 3.9Å; L509-L540 HydrophobicContact CD2-CD1 4.48Å; L509-L540 HydrophobicContact CG-CB 4.08Å; L509-Q541 HydrophobicContact CD1-CG 4.23Å; L509-Q541 HydrophobicContact CD2-CG 4.36Å; L509-A544 HydrophobicContact CD1-CB 3.68Å
510	N	87	Confident	89.9	Confident	127 Å²	127	76.4 Å²	76.4	68%	0.679	41%	0.406	S	S	*	.	H	α-helix	trans	-124.1	-8.9	-166.6	-60.8	-92.6	0	0	0	115	R506 A507	R506-N510 WeakPolarHBondContact O-CB 3.09Å; R506-N510 PolarHBondContact O-N 3.26Å; R506-N510 PolarHBondContact O-ND2 2.71Å; A507-N510 PolarHBondContact O-N 3.22Å
511	A	82.5	Confident	90	Very high	44 Å²	44	75.7 Å²	75.7	36%	0.364	40%	0.402	S	S	.	.			trans	-89.8	117.4	-179.5	0	0	0	0	0	111.2	A507 S513 L514	A507-A511 WeakPolarHBondContact O-CB 3.33Å; A507-A511 PolarHBondContact O-N 2.74Å; A511-S513 PolarHBondContact O-N 3.29Å; A511-L514 HydrophobicContact CB-CD1 3.96Å; A511-L514 HydrophobicContact CB-CD2 4.1Å; A511-L514 HydrophobicContact CB-CG 3.7Å
512	E	77.2	Confident	90	Very high	201 Å²	201	76 Å²	76	94%	0.939	40%	0.404	S	S	*	.	S	Bend	trans	-63.4	-25.4	-179	-63.7	173	-179.9	0	0	113.3
513	S	84.3	Confident	89.8	Confident	106 Å²	106	74.8 Å²	74.8	74%	0.741	40%	0.401	S	S	*	.			trans	-147.1	124.6	169.1	58.7	0	0	0	0	111.3	A511	A511-S513 PolarHBondContact O-N 3.29Å
514	L	85.9	Confident	89.8	Confident	54 Å²	54	74.6 Å²	74.6	28%	0.283	39%	0.392	S	S	.	.			trans	-119	132.5	170.1	-78.2	167.5	0	0	0	109	A507 L508 A511 R518 K519 L522	A507-L514 HydrophobicContact CB-CD1 4.45Å; L508-L514 HydrophobicContact CD2-CD1 4.09Å; A511-L514 HydrophobicContact CB-CD1 3.96Å; A511-L514 HydrophobicContact CB-CD2 4.1Å; A511-L514 HydrophobicContact CB-CG 3.7Å; L514-R518 HydrophobicContact CD2-CG 4.46Å; L514-K519 HydrophobicContact CB-CB 4.47Å; L514-L522 HydrophobicContact CD1-CD1 4.48Å
515	P	92.9	Very high	89.7	Confident	73 Å²	73	75 Å²	75	47%	0.474	40%	0.395	S	S	.	.			trans	-55.3	139.7	171	-25.6	35	0	0	0	111.3	H517 R518 K519	P515-H517 VanDerWaalsContact C-N 3.3Å; P515-H517 VanDerWaalsContact CB-CE1 3.48Å; P515-H517 WeakPolarHBondContact CB-CE1 3.22Å; P515-H517 PolarHBondContact O-N 2.84Å; P515-R518 HydrophobicContact CB-CB 4.44Å; P515-R518 WeakPolarHBondContact O-CA 3.43Å; P515-R518 PolarHBondContact O-N 3.2Å; P515-K519 PolarHBondContact O-N 3.33Å
516	A	87.7	Confident	89.7	Confident	84 Å²	84	75 Å²	75	69%	0.694	40%	0.395	S	S	*	.	H	α-helix	trans	-54.2	-43.1	-173.7	0	0	0	0	0	113.4	R518 K519 E520	A516-R518 VanDerWaalsContact C-N 3.31Å; A516-R518 PolarHBondContact O-N 3.48Å; A516-K519 PolarHBondContact O-N 3.36Å; A516-E520 PolarHBondContact O-N 3.19Å
517	H	90.2	Very high	89.7	Confident	140 Å²	140	72 Å²	72	65%	0.648	38%	0.384	S	S	*	.	H	α-helix	trans	-58.7	-41.6	176.1	72.9	-93.7	0	0	0	112.3	P515 E520 E521	P515-H517 VanDerWaalsContact C-N 3.3Å; P515-H517 VanDerWaalsContact CB-CE1 3.48Å; P515-H517 WeakPolarHBondContact CB-CE1 3.22Å; P515-H517 PolarHBondContact O-N 2.84Å; H517-E520 PolarHBondContact O-N 2.78Å; H517-E521 WeakPolarHBondContact O-CB 3.46Å; H517-E521 PolarHBondContact O-N 3.4Å
518	R	89.2	Confident	89.7	Confident	99 Å²	99	76.2 Å²	76.2	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-74.9	-32.7	-178.9	-176.3	59.3	-174.3	-174.3	13.3	111.3	L514 P515 A516 E521 L522	L514-R518 HydrophobicContact CD2-CG 4.46Å; P515-R518 HydrophobicContact CB-CB 4.44Å; P515-R518 WeakPolarHBondContact O-CA 3.43Å; P515-R518 PolarHBondContact O-N 3.2Å; A516-R518 VanDerWaalsContact C-N 3.31Å; A516-R518 PolarHBondContact O-N 3.48Å; R518-E521 WeakPolarHBondContact CD-OE2 3.31Å; R518-E521 IonicContact CZ-OE1 2.87Å; R518-E521 IonicContact CZ-OE2 3.45Å; R518-E521 IonicContact NE-OE2 3.87Å; R518-E521 IonicContact NH1-OE1 3.86Å; R518-E521 PolarHBondContact NH1-OE1 3.31Å; R518-E521 IonicContact NH1-OE2 3.87Å; R518-E521 PolarHBondContact NH1-OE2 3.05Å; R518-E521 IonicContact NH2-OE1 3.79Å; R518-L522 HydrophobicContact CG-CD1 4.46Å; R518-L522 WeakPolarHBondContact O-CB 3.22Å; R518-L522 VanDerWaalsContact O-CG 3.25Å; R518-L522 WeakPolarHBondContact O-CG 3.4Å; R518-L522 PolarHBondContact O-N 3.09Å; R518-L522 VanDerWaalsContact O-N 3.12Å
519	K	89.8	Confident	89.8	Confident	110 Å²	110	77.1 Å²	77.1	48%	0.478	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-46.2	172.4	-169.6	-180	-179.9	179.2	0	110.5	L508 L514 P515 A516 L522 L523	L508-K519 HydrophobicContact CD2-CG 3.67Å; L514-K519 HydrophobicContact CB-CB 4.47Å; P515-K519 PolarHBondContact O-N 3.33Å; A516-K519 PolarHBondContact O-N 3.36Å; K519-L522 PolarHBondContact O-N 2.85Å; K519-L523 HydrophobicContact CG-CD1 4.16Å; K519-L523 WeakPolarHBondContact O-CG 3.14Å; K519-L523 PolarHBondContact O-N 3.31Å
520	E	91.6	Very high	89.9	Confident	90 Å²	90	77 Å²	77	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-67.7	-42.3	179.5	-163.7	56.8	-139.6	0	0	112.4	A516 H517 L522 L523 Q524 R527	A516-E520 PolarHBondContact O-N 3.19Å; H517-E520 PolarHBondContact O-N 2.78Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 3.13Å; E520-L523 PolarHBondContact O-N 2.73Å; E520-Q524 VanDerWaalsContact O-CB 3.31Å; E520-Q524 WeakPolarHBondContact O-CB 3.37Å; E520-Q524 PolarHBondContact O-N 3.19Å; E520-R527 IonicContact OE1-CZ 3.23Å; E520-R527 VanDerWaalsContact OE1-CZ 3.23Å; E520-R527 IonicContact OE1-NH1 2.72Å; E520-R527 PolarHBondContact OE1-NH1 2.8Å; E520-R527 IonicContact OE1-NH2 2.8Å; E520-R527 PolarHBondContact OE1-NH2 2.83Å
521	E	93.5	Very high	90.1	Very high	88 Å²	88	78.3 Å²	78.3	41%	0.411	40%	0.404	S	S	.	.	H	α-helix	trans	-56.1	-43.1	174	-171.2	-156.9	147.3	0	0	112.2	H517 R518 A525	H517-E521 WeakPolarHBondContact O-CB 3.46Å; H517-E521 PolarHBondContact O-N 3.4Å; R518-E521 WeakPolarHBondContact CD-OE2 3.31Å; R518-E521 IonicContact CZ-OE1 2.87Å; R518-E521 IonicContact CZ-OE2 3.45Å; R518-E521 IonicContact NE-OE2 3.87Å; R518-E521 IonicContact NH1-OE1 3.86Å; R518-E521 PolarHBondContact NH1-OE1 3.31Å; R518-E521 IonicContact NH1-OE2 3.87Å; R518-E521 PolarHBondContact NH1-OE2 3.05Å; R518-E521 IonicContact NH2-OE1 3.79Å; E521-A525 PolarHBondContact O-N 2.89Å; E521-A525 VanDerWaalsContact O-N 3.16Å
522	L	93.4	Very high	90.5	Very high	6 Å²	6	78.5 Å²	78.5	3%	0.031	40%	0.4	C	S	.	.	H	α-helix	trans	-70.7	-39.1	177.7	-68.9	179.9	0	0	0	112.5	A507 L508 L514 R518 K519 E520 Q524 L526	A507-L522 HydrophobicContact CB-CD1 3.88Å; L508-L522 HydrophobicContact CD1-CB 3.99Å; L508-L522 HydrophobicContact CD2-CB 4.26Å; L508-L522 HydrophobicContact CD2-CD1 4.5Å; L508-L522 HydrophobicContact CG-CB 4.13Å; L508-L522 HydrophobicContact CG-CD1 4.31Å; L514-L522 HydrophobicContact CD1-CD1 4.48Å; R518-L522 HydrophobicContact CG-CD1 4.46Å; R518-L522 WeakPolarHBondContact O-CB 3.22Å; R518-L522 VanDerWaalsContact O-CG 3.25Å; R518-L522 WeakPolarHBondContact O-CG 3.4Å; R518-L522 PolarHBondContact O-N 3.09Å; R518-L522 VanDerWaalsContact O-N 3.12Å; K519-L522 PolarHBondContact O-N 2.85Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 3.13Å; L522-Q524 VanDerWaalsContact C-N 3.34Å; L522-L526 WeakPolarHBondContact O-CD1 3.46Å; L522-L526 PolarHBondContact O-N 3.47Å
523	L	92.1	Very high	91	Very high	30 Å²	30	76 Å²	76	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-64.7	-40.6	174.8	-74.6	169.1	0	0	0	111.3	L508 K519 E520 L526 R527 V535	L508-L523 HydrophobicContact CD1-CD2 3.88Å; L508-L523 HydrophobicContact CD1-CG 4.16Å; L508-L523 HydrophobicContact CD2-CG 4.4Å; K519-L523 HydrophobicContact CG-CD1 4.16Å; K519-L523 WeakPolarHBondContact O-CG 3.14Å; K519-L523 PolarHBondContact O-N 3.31Å; E520-L523 PolarHBondContact O-N 2.73Å; L523-L526 WeakPolarHBondContact O-CB 3.07Å; L523-L526 PolarHBondContact O-N 2.81Å; L523-L526 VanDerWaalsContact O-N 3.1Å; L523-R527 WeakPolarHBondContact O-CG 3.45Å; L523-R527 PolarHBondContact O-N 3.1Å; L523-V535 HydrophobicContact CD2-CB 4.2Å; L523-V535 HydrophobicContact CD2-CG1 4.28Å; L523-V535 HydrophobicContact CD2-CG2 4.45Å
524	Q	92.6	Very high	91.2	Very high	75 Å²	75	75.6 Å²	75.6	35%	0.35	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-44.8	178.2	-175.4	57.6	23.6	0	0	111.9	E520 L522 L526 R527 E528	E520-Q524 VanDerWaalsContact O-CB 3.31Å; E520-Q524 WeakPolarHBondContact O-CB 3.37Å; E520-Q524 PolarHBondContact O-N 3.19Å; L522-Q524 VanDerWaalsContact C-N 3.34Å; Q524-L526 PolarHBondContact O-N 2.97Å; Q524-R527 WeakPolarHBondContact O-CB 3.26Å; Q524-R527 PolarHBondContact O-N 2.75Å; Q524-R527 VanDerWaalsContact O-N 3.11Å; Q524-E528 WeakPolarHBondContact CG-OE1 3.26Å; Q524-E528 PolarHBondContact NE2-OE1 2.66Å; Q524-E528 WeakPolarHBondContact O-CG 3.39Å; Q524-E528 PolarHBondContact O-N 3.1Å
525	A	91.3	Very high	91.4	Very high	11 Å²	11	74.7 Å²	74.7	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-61.9	-28.6	174.2	0	0	0	0	0	113.3	E521 F529	E521-A525 PolarHBondContact O-N 2.89Å; E521-A525 VanDerWaalsContact O-N 3.16Å; A525-F529 WeakPolarHBondContact O-CB 3.25Å; A525-F529 PolarHBondContact O-N 3.14Å
526	L	93	Very high	91.3	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-75.9	-39.8	170.9	-90.1	98.1	0	0	0	112.8	V501 A505 L508 L522 L523 Q524 E528 F529 Y530 V535 L540 A543	V501-L526 HydrophobicContact CG1-CG 4.34Å; A505-L526 HydrophobicContact CB-CD1 4.39Å; A505-L526 HydrophobicContact CB-CD2 4.31Å; L508-L526 HydrophobicContact CD1-CD1 4.14Å; L522-L526 WeakPolarHBondContact O-CD1 3.46Å; L522-L526 PolarHBondContact O-N 3.47Å; L523-L526 WeakPolarHBondContact O-CB 3.07Å; L523-L526 PolarHBondContact O-N 2.81Å; L523-L526 VanDerWaalsContact O-N 3.1Å; Q524-L526 PolarHBondContact O-N 2.97Å; L526-E528 VanDerWaalsContact C-N 3.32Å; L526-E528 PolarHBondContact O-N 2.8Å; L526-F529 PolarHBondContact O-N 2.89Å; L526-Y530 HydrophobicContact CD2-CE2 4.27Å; L526-Y530 WeakPolarHBondContact O-CD2 3.47Å; L526-Y530 PolarHBondContact O-N 2.78Å; L526-V535 HydrophobicContact CB-CG1 4.28Å; L526-V535 HydrophobicContact CB-CG2 3.98Å; L526-V535 HydrophobicContact CD2-CG1 3.9Å; L526-L540 HydrophobicContact CD1-CD2 4.47Å; L526-L540 HydrophobicContact CD2-CD2 3.71Å; L526-A543 HydrophobicContact CD2-CB 3.85Å
527	R	94.1	Very high	91.4	Very high	54 Å²	54	74.3 Å²	74.3	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-44.7	175.2	-71.8	-171.1	-161.5	101.8	2.6	111.8	E520 L523 Q524 N531 T532 D533 V535	E520-R527 IonicContact OE1-CZ 3.23Å; E520-R527 VanDerWaalsContact OE1-CZ 3.23Å; E520-R527 IonicContact OE1-NH1 2.72Å; E520-R527 PolarHBondContact OE1-NH1 2.8Å; E520-R527 IonicContact OE1-NH2 2.8Å; E520-R527 PolarHBondContact OE1-NH2 2.83Å; L523-R527 WeakPolarHBondContact O-CG 3.45Å; L523-R527 PolarHBondContact O-N 3.1Å; Q524-R527 WeakPolarHBondContact O-CB 3.26Å; Q524-R527 PolarHBondContact O-N 2.75Å; Q524-R527 VanDerWaalsContact O-N 3.11Å; R527-N531 VanDerWaalsContact O-CA 3.28Å; R527-N531 WeakPolarHBondContact O-CA 3.47Å; R527-N531 PolarHBondContact O-N 2.88Å; R527-T532 VanDerWaalsContact CA-O 3.3Å; R527-T532 WeakPolarHBondContact CA-O 3.39Å; R527-T532 WeakPolarHBondContact CB-O 3.33Å; R527-T532 VanDerWaalsContact CG-O 3.25Å; R527-T532 WeakPolarHBondContact CG-O 3.3Å; R527-T532 PolarHBondContact O-N 3.38Å; R527-D533 VanDerWaalsContact CD-O 3.31Å; R527-D533 WeakPolarHBondContact CD-O 3.34Å; R527-D533 PolarHBondContact NE-O 2.83Å; R527-D533 VanDerWaalsContact NE-O 3.08Å; R527-V535 HydrophobicContact CG-CG2 3.71Å
528	E	93.3	Very high	91.4	Very high	121 Å²	121	73.9 Å²	73.9	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-62.5	-50.6	177.4	-72.8	165.5	-173.1	0	0	111	Q524 L526 Y530 N531	Q524-E528 WeakPolarHBondContact CG-OE1 3.26Å; Q524-E528 PolarHBondContact NE2-OE1 2.66Å; Q524-E528 WeakPolarHBondContact O-CG 3.39Å; Q524-E528 PolarHBondContact O-N 3.1Å; L526-E528 VanDerWaalsContact C-N 3.32Å; L526-E528 PolarHBondContact O-N 2.8Å; E528-Y530 PolarHBondContact O-N 3.18Å; E528-N531 PolarHBondContact O-N 3.48Å
529	F	93	Very high	91.5	Very high	51 Å²	51	70.6 Å²	70.6	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-40.3	-179.5	-179.2	-100.7	0	0	0	114.2	E497 R498 V501 A525 L526 L546	E497-F529 HydrophobicContact CG-CD2 3.92Å; R498-F529 HydrophobicContact CG-CE2 3.77Å; R498-F529 HydrophobicContact CG-CZ 3.97Å; V501-F529 HydrophobicContact CB-CG 4.4Å; V501-F529 HydrophobicContact CG1-CD1 3.89Å; V501-F529 HydrophobicContact CG1-CE1 4.26Å; V501-F529 HydrophobicContact CG1-CG 4.2Å; V501-F529 HydrophobicContact CG2-CB 3.52Å; V501-F529 HydrophobicContact CG2-CD1 4.15Å; V501-F529 HydrophobicContact CG2-CD2 3.91Å; V501-F529 HydrophobicContact CG2-CG 3.59Å; A525-F529 WeakPolarHBondContact O-CB 3.25Å; A525-F529 PolarHBondContact O-N 3.14Å; L526-F529 PolarHBondContact O-N 2.89Å; F529-L546 HydrophobicContact CE1-CD2 3.9Å; F529-L546 HydrophobicContact CZ-CD1 4.4Å; F529-L546 HydrophobicContact CZ-CD2 3.73Å
530	Y	92.6	Very high	91.6	Very high	54 Å²	54	66.2 Å²	66.2	21%	0.212	33%	0.334	C	S	.	.	H	α-helix	trans	-89.2	-1.5	177.9	-75.9	-75.7	0	0	0	113.6	L526 E528 T532 M539 E542 A543	L526-Y530 HydrophobicContact CD2-CE2 4.27Å; L526-Y530 WeakPolarHBondContact O-CD2 3.47Å; L526-Y530 PolarHBondContact O-N 2.78Å; E528-Y530 PolarHBondContact O-N 3.18Å; Y530-T532 PolarHBondContact O-N 3.18Å; Y530-M539 HydrophobicContact CD1-CE 4.14Å; Y530-M539 HydrophobicContact CD2-CE 3.61Å; Y530-M539 HydrophobicContact CE2-CB 4.49Å; Y530-M539 HydrophobicContact CE2-CE 4.35Å; Y530-M539 HydrophobicContact CG-CE 3.49Å; Y530-M539 VanDerWaalsContact CG-CE 3.49Å; Y530-E542 WeakPolarHBondContact CE1-OE1 3.19Å; Y530-E542 PolarHBondContact OH-OE1 3.04Å; Y530-A543 HydrophobicContact CE2-CB 4.08Å; Y530-A543 PolarHBondContact OH-N 3.2Å
531	N	91.9	Very high	91.6	Very high	154 Å²	154	67.4 Å²	67.4	82%	0.824	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	53.5	-175.4	-169.6	47.4	0	0	0	113.3	R527 E528	R527-N531 VanDerWaalsContact O-CA 3.28Å; R527-N531 WeakPolarHBondContact O-CA 3.47Å; R527-N531 PolarHBondContact O-N 2.88Å; E528-N531 PolarHBondContact O-N 3.48Å
532	T	91.9	Very high	91.6	Very high	47 Å²	47	68.2 Å²	68.2	29%	0.288	34%	0.343	S	S	.	.			trans	-148.3	145.7	-176.2	176	0	0	0	0	112.3	R527 Y530 T534 M539	R527-T532 VanDerWaalsContact CA-O 3.3Å; R527-T532 WeakPolarHBondContact CA-O 3.39Å; R527-T532 WeakPolarHBondContact CB-O 3.33Å; R527-T532 VanDerWaalsContact CG-O 3.25Å; R527-T532 WeakPolarHBondContact CG-O 3.3Å; R527-T532 PolarHBondContact O-N 3.38Å; Y530-T532 PolarHBondContact O-N 3.18Å; T532-T534 VanDerWaalsContact C-N 3.32Å; T532-T534 VanDerWaalsContact CG2-O 3.29Å; T532-T534 WeakPolarHBondContact CG2-O 3.37Å; T532-T534 PolarHBondContact O-N 2.75Å; T532-T534 PolarHBondContact OG1-N 3.04Å; T532-T534 PolarHBondContact OG1-O 2.87Å; T532-M539 HydrophobicContact CG2-CE 3.49Å; T532-M539 VanDerWaalsContact CG2-CE 3.49Å
533	D	87.2	Confident	91.5	Very high	148 Å²	148	67.9 Å²	67.9	79%	0.791	34%	0.342	S	S	*	.	S	Bend	trans	-74	-22.1	179	-59.2	-51.7	0	0	0	113.3	R527	R527-D533 VanDerWaalsContact CD-O 3.31Å; R527-D533 WeakPolarHBondContact CD-O 3.34Å; R527-D533 PolarHBondContact NE-O 2.83Å; R527-D533 VanDerWaalsContact NE-O 3.08Å
534	T	88.5	Confident	91.5	Very high	98 Å²	98	67.2 Å²	67.2	60%	0.601	34%	0.34	S	S	*	.			trans	-118.4	133.7	-176.2	58.6	0	0	0	0	111.9	T532	T532-T534 VanDerWaalsContact C-N 3.32Å; T532-T534 VanDerWaalsContact CG2-O 3.29Å; T532-T534 WeakPolarHBondContact CG2-O 3.37Å; T532-T534 PolarHBondContact O-N 2.75Å; T532-T534 PolarHBondContact OG1-N 3.04Å; T532-T534 PolarHBondContact OG1-O 2.87Å
535	V	89.4	Confident	91.5	Very high	35 Å²	35	67.9 Å²	67.9	21%	0.212	35%	0.354	C	S	.	.			trans	-111	119.7	176.3	-178.6	0	0	0	0	108.4	L523 L526 R527 M539 L540	L523-V535 HydrophobicContact CD2-CB 4.2Å; L523-V535 HydrophobicContact CD2-CG1 4.28Å; L523-V535 HydrophobicContact CD2-CG2 4.45Å; L526-V535 HydrophobicContact CB-CG1 4.28Å; L526-V535 HydrophobicContact CB-CG2 3.98Å; L526-V535 HydrophobicContact CD2-CG1 3.9Å; R527-V535 HydrophobicContact CG-CG2 3.71Å; V535-M539 HydrophobicContact CG1-CB 4.42Å; V535-L540 HydrophobicContact CG1-CD2 4.11Å; V535-L540 HydrophobicContact CG1-CG 3.98Å
536	T	91.9	Very high	91.5	Very high	57 Å²	57	68.4 Å²	68.4	35%	0.35	36%	0.355	S	S	.	.			trans	-93.6	168.9	177.2	82.7	0	0	0	0	112.3	E538 M539 L540	T536-E538 VanDerWaalsContact C-N 3.31Å; T536-E538 WeakPolarHBondContact CB-OE2 3.48Å; T536-E538 PolarHBondContact O-N 3.34Å; T536-E538 PolarHBondContact OG1-N 3.2Å; T536-E538 PolarHBondContact OG1-OE2 2.9Å; T536-M539 HydrophobicContact CG2-SD 4.11Å; T536-M539 PolarHBondContact N-SD 3.48Å; T536-M539 VanDerWaalsContact N-SD 3.4Å; T536-M539 PolarHBondContact O-N 3.07Å; T536-M539 PolarHBondContact OG1-N 2.89Å; T536-L540 WeakPolarHBondContact O-CG 3.44Å; T536-L540 PolarHBondContact O-N 2.92Å; T536-L540 VanDerWaalsContact O-N 3.09Å
537	E	88.5	Confident	91.3	Very high	92 Å²	92	75.1 Å²	75.1	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-35.3	175.9	178.9	58.5	-156.1	0	0	111.7	L509 L540 Q541	L509-E537 WeakPolarHBondContact CD2-OE1 3.33Å; E537-L540 WeakPolarHBondContact O-CB 3.46Å; E537-L540 PolarHBondContact O-N 3.05Å; E537-Q541 WeakPolarHBondContact O-CG 3.45Å; E537-Q541 PolarHBondContact O-N 3.19Å; E537-Q541 PolarHBondContact OE1-NE2 2.63Å
538	E	90.5	Very high	91	Very high	132 Å²	132	72.7 Å²	72.7	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-63	-44.6	174.7	-58.1	72.8	-158.5	0	0	111	T536 L540 Q541 E542	T536-E538 VanDerWaalsContact C-N 3.31Å; T536-E538 WeakPolarHBondContact CB-OE2 3.48Å; T536-E538 PolarHBondContact O-N 3.34Å; T536-E538 PolarHBondContact OG1-N 3.2Å; T536-E538 PolarHBondContact OG1-OE2 2.9Å; E538-L540 VanDerWaalsContact C-N 3.3Å; E538-L540 PolarHBondContact O-N 3.49Å; E538-Q541 PolarHBondContact O-N 2.79Å; E538-E542 WeakPolarHBondContact O-CB 3.33Å; E538-E542 PolarHBondContact O-N 3.5Å
539	M	90.9	Very high	90.7	Very high	29 Å²	29	74 Å²	74	14%	0.143	38%	0.377	C	S	.	.	H	α-helix	trans	-62.3	-36.9	175.2	-64.2	169.4	66.1	0	0	112.1	Y530 T532 V535 T536 A543	Y530-M539 HydrophobicContact CD1-CE 4.14Å; Y530-M539 HydrophobicContact CD2-CE 3.61Å; Y530-M539 HydrophobicContact CE2-CB 4.49Å; Y530-M539 HydrophobicContact CE2-CE 4.35Å; Y530-M539 HydrophobicContact CG-CE 3.49Å; Y530-M539 VanDerWaalsContact CG-CE 3.49Å; T532-M539 HydrophobicContact CG2-CE 3.49Å; T532-M539 VanDerWaalsContact CG2-CE 3.49Å; V535-M539 HydrophobicContact CG1-CB 4.42Å; T536-M539 HydrophobicContact CG2-SD 4.11Å; T536-M539 PolarHBondContact N-SD 3.48Å; T536-M539 VanDerWaalsContact N-SD 3.4Å; T536-M539 PolarHBondContact O-N 3.07Å; T536-M539 PolarHBondContact OG1-N 2.89Å; M539-A543 WeakPolarHBondContact O-CB 3.49Å; M539-A543 PolarHBondContact O-N 3.2Å
540	L	91.4	Very high	90.3	Very high	19 Å²	19	74.5 Å²	74.5	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-41.7	174.4	-72.7	168.9	0	0	0	111.6	A505 L508 L509 L526 V535 T536 E537 E538 A544	A505-L540 HydrophobicContact CB-CD2 4.18Å; A505-L540 WeakPolarHBondContact CB-O 3.34Å; L508-L540 HydrophobicContact CB-CD2 4Å; L508-L540 HydrophobicContact CD1-CD2 3.58Å; L508-L540 HydrophobicContact CG-CD2 4.44Å; L509-L540 HydrophobicContact CD1-CB 4.34Å; L509-L540 HydrophobicContact CD2-CB 3.9Å; L509-L540 HydrophobicContact CD2-CD1 4.48Å; L509-L540 HydrophobicContact CG-CB 4.08Å; L526-L540 HydrophobicContact CD1-CD2 4.47Å; L526-L540 HydrophobicContact CD2-CD2 3.71Å; V535-L540 HydrophobicContact CG1-CD2 4.11Å; V535-L540 HydrophobicContact CG1-CG 3.98Å; T536-L540 WeakPolarHBondContact O-CG 3.44Å; T536-L540 PolarHBondContact O-N 2.92Å; T536-L540 VanDerWaalsContact O-N 3.09Å; E537-L540 WeakPolarHBondContact O-CB 3.46Å; E537-L540 PolarHBondContact O-N 3.05Å; E538-L540 VanDerWaalsContact C-N 3.3Å; E538-L540 PolarHBondContact O-N 3.49Å; L540-A544 VanDerWaalsContact O-CB 3.22Å; L540-A544 WeakPolarHBondContact O-CB 3.29Å; L540-A544 PolarHBondContact O-N 2.96Å
541	Q	92.6	Very high	89.8	Confident	115 Å²	115	75.9 Å²	75.9	54%	0.537	40%	0.399	S	S	.	.	H	α-helix	trans	-68.2	-40.8	177.8	-68.6	-179.1	25.3	0	0	111.9	L509 E537 E538 A544 S545	L509-Q541 HydrophobicContact CD1-CG 4.23Å; L509-Q541 HydrophobicContact CD2-CG 4.36Å; E537-Q541 WeakPolarHBondContact O-CG 3.45Å; E537-Q541 PolarHBondContact O-N 3.19Å; E537-Q541 PolarHBondContact OE1-NE2 2.63Å; E538-Q541 PolarHBondContact O-N 2.79Å; Q541-A544 PolarHBondContact O-N 3.01Å; Q541-S545 PolarHBondContact O-N 3.43Å
542	E	92.3	Very high	89.3	Confident	104 Å²	104	69.3 Å²	69.3	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-54.8	173.2	-167.4	-161.9	118.4	0	0	110.8	Y530 E538 A544 S545 L546	Y530-E542 WeakPolarHBondContact CE1-OE1 3.19Å; Y530-E542 PolarHBondContact OH-OE1 3.04Å; E538-E542 WeakPolarHBondContact O-CB 3.33Å; E538-E542 PolarHBondContact O-N 3.5Å; E542-A544 VanDerWaalsContact C-N 3.28Å; E542-A544 PolarHBondContact O-N 3.01Å; E542-S545 CarbonylContact O-C 3.58Å; E542-S545 WeakPolarHBondContact O-CA 3.31Å; E542-S545 WeakPolarHBondContact O-CB 3.46Å; E542-S545 PolarHBondContact O-N 3.33Å; E542-S545 PolarHBondContact O-OG 2.68Å; E542-L546 PolarHBondContact O-N 2.72Å; E542-L546 VanDerWaalsContact O-N 3.08Å
543	A	92.6	Very high	88.7	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-56.5	-39.4	177.4	0	0	0	0	0	112.5	V501 R502 A505 L526 Y530 M539 S545 L546	V501-A543 HydrophobicContact CG1-CB 3.79Å; R502-A543 VanDerWaalsContact CA-O 3.26Å; R502-A543 WeakPolarHBondContact CA-O 3.44Å; R502-A543 WeakPolarHBondContact CB-O 3.36Å; R502-A543 WeakPolarHBondContact CG-O 2.99Å; A505-A543 HydrophobicContact CB-CB 3.5Å; L526-A543 HydrophobicContact CD2-CB 3.85Å; Y530-A543 HydrophobicContact CE2-CB 4.08Å; Y530-A543 PolarHBondContact OH-N 3.2Å; M539-A543 WeakPolarHBondContact O-CB 3.49Å; M539-A543 PolarHBondContact O-N 3.2Å; A543-S545 PolarHBondContact O-N 2.87Å; A543-L546 WeakPolarHBondContact O-CB 3.28Å; A543-L546 PolarHBondContact O-N 2.96Å
544	A	92.2	Very high	88.2	Confident	15 Å²	15	75.9 Å²	75.9	12%	0.124	39%	0.391	C	S	.	.	H	α-helix	trans	-66.1	-21.7	176.2	0	0	0	0	0	113.6	A505 R506 L509 L540 Q541 E542	A505-A544 HydrophobicContact CB-CB 4.17Å; R506-A544 HydrophobicContact CG-CB 3.75Å; R506-A544 VanDerWaalsContact CZ-O 3.26Å; R506-A544 PolarHBondContact NE-O 3.14Å; R506-A544 PolarHBondContact NH2-O 3.41Å; L509-A544 HydrophobicContact CD1-CB 3.68Å; L540-A544 VanDerWaalsContact O-CB 3.22Å; L540-A544 WeakPolarHBondContact O-CB 3.29Å; L540-A544 PolarHBondContact O-N 2.96Å; Q541-A544 PolarHBondContact O-N 3.01Å; E542-A544 VanDerWaalsContact C-N 3.28Å; E542-A544 PolarHBondContact O-N 3.01Å
545	S	92.1	Very high	87.9	Confident	90 Å²	90	74.8 Å²	74.8	63%	0.629	38%	0.377	S	S	*	.	H	α-helix	trans	-92.7	-15.8	175.6	79.9	0	0	0	0	114.4	Q541 E542 A543	Q541-S545 PolarHBondContact O-N 3.43Å; E542-S545 CarbonylContact O-C 3.58Å; E542-S545 WeakPolarHBondContact O-CA 3.31Å; E542-S545 WeakPolarHBondContact O-CB 3.46Å; E542-S545 PolarHBondContact O-N 3.33Å; E542-S545 PolarHBondContact O-OG 2.68Å; A543-S545 PolarHBondContact O-N 2.87Å
546	L	91.9	Very high	87.5	Confident	22 Å²	22	76.1 Å²	76.1	12%	0.115	39%	0.385	C	S	.	.			trans	-45.4	134.3	-169.3	-167.9	64.4	0	0	0	115	R498 V501 R502 F529 E542 A543 T548	R498-L546 HydrophobicContact CB-CD2 3.69Å; R498-L546 HydrophobicContact CB-CG 4.25Å; R498-L546 HydrophobicContact CG-CD2 3.86Å; R498-L546 HydrophobicContact CG-CG 4.37Å; V501-L546 HydrophobicContact CB-CD2 4.39Å; V501-L546 HydrophobicContact CG1-CD2 3.91Å; R502-L546 HydrophobicContact CB-CB 4.4Å; R502-L546 VanDerWaalsContact CD-O 3.26Å; R502-L546 WeakPolarHBondContact CD-O 3.46Å; R502-L546 PolarHBondContact NH1-O 2.73Å; R502-L546 VanDerWaalsContact NH1-O 3.16Å; F529-L546 HydrophobicContact CE1-CD2 3.9Å; F529-L546 HydrophobicContact CZ-CD1 4.4Å; F529-L546 HydrophobicContact CZ-CD2 3.73Å; E542-L546 PolarHBondContact O-N 2.72Å; E542-L546 VanDerWaalsContact O-N 3.08Å; A543-L546 WeakPolarHBondContact O-CB 3.28Å; A543-L546 PolarHBondContact O-N 2.96Å; L546-T548 PolarHBondContact O-N 3.28Å
547	E	88.4	Confident	87.3	Confident	141 Å²	141	74.9 Å²	74.9	66%	0.659	38%	0.378	S	S	*	.			trans	-77.6	108.6	172.4	-179.1	142.6	-118.3	0	0	110.3	R498 R549	R498-E547 VanDerWaalsContact CD-O 3.28Å; R498-E547 WeakPolarHBondContact CD-O 3.3Å; R498-E547 PolarHBondContact NH1-O 3.21Å; E547-R549 VanDerWaalsContact C-N 3.33Å
548	T	88.1	Confident	87.4	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.018	36%	0.361	C	S	.	.			trans	-92.4	7.2	-178.8	68.4	0	0	0	0	112.9	E494 D495 R498 R499 R502 L546	E494-T548 CarbonylContact C-O 3.59Å; E494-T548 WeakPolarHBondContact CA-O 3.41Å; D495-T548 PolarHBondContact N-O 3.21Å; R498-T548 HydrophobicContact CB-CG2 3.93Å; R498-T548 WeakPolarHBondContact O-CG2 3.16Å; R499-T548 HydrophobicContact CB-CG2 4.31Å; R502-T548 HydrophobicContact CB-CG2 4.08Å; R502-T548 VanDerWaalsContact CZ-OG1 3.23Å; R502-T548 PolarHBondContact NH1-OG1 3.09Å; R502-T548 PolarHBondContact NH2-OG1 3.32Å; L546-T548 PolarHBondContact O-N 3.28Å
549	R	87	Confident	87.5	Confident	148 Å²	148	65.2 Å²	65.2	56%	0.558	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	96.9	177.2	-76.2	-168.4	-177.8	124.3	5.6	108.6	L492 L493 E547	L492-R549 HydrophobicContact CB-CB 4.33Å; L492-R549 HydrophobicContact CD1-CB 4.44Å; L493-R549 CarbonylContact O-C 3.44Å; L493-R549 VanDerWaalsContact O-CA 3.29Å; L493-R549 WeakPolarHBondContact O-CA 3.37Å; E547-R549 VanDerWaalsContact C-N 3.33Å
550	I	85.1	Confident	87.5	Confident	61 Å²	61	65.5 Å²	65.5	31%	0.313	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	153.8	-176.5	60.7	173.2	0	0	0	110.3	L492 L493 D495 N552	L492-I550 VanDerWaalsContact CA-O 3.28Å; L492-I550 WeakPolarHBondContact CA-O 3.34Å; L493-I550 PolarHBondContact N-O 3.35Å; L493-I550 PolarHBondContact O-N 2.81Å; D495-I550 HydrophobicContact CB-CD1 4.07Å; D495-I550 HydrophobicContact CB-CG1 4.19Å; D495-I550 HydrophobicContact CB-CG2 4.18Å; I550-N552 PolarHBondContact O-N 3.12Å
551	S	81.8	Confident	87.5	Confident	84 Å²	84	68.3 Å²	68.3	59%	0.587	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	130.7	174.1	-168.8	0	0	0	0	110	E553	S551-E553 PolarHBondContact O-N 3.37Å
552	N	81.6	Confident	87.6	Confident	16 Å²	16	62.8 Å²	62.8	9%	0.086	32%	0.321	C	S	.	.			trans	-81.9	108	171.2	178.2	5.6	0	0	0	108.9	E488 L490 R491 L493 I550 N554 Y555	E488-N552 PolarHBondContact O-ND2 3.14Å; L490-N552 VanDerWaalsContact O-CB 3.23Å; L490-N552 WeakPolarHBondContact O-CB 3.46Å; L490-N552 PolarHBondContact O-ND2 3.38Å; R491-N552 PolarHBondContact O-N 3.15Å; L493-N552 HydrophobicContact CD1-CB 3.82Å; L493-N552 HydrophobicContact CG-CB 3.97Å; I550-N552 PolarHBondContact O-N 3.12Å; N552-N554 PolarHBondContact O-N 3.26Å; N552-N554 PolarHBondContact OD1-N 3.11Å; N552-N554 VanDerWaalsContact OD1-N 3.08Å; N552-Y555 VanDerWaalsContact O-CB 3.22Å; N552-Y555 WeakPolarHBondContact O-CB 3.26Å; N552-Y555 PolarHBondContact O-N 3.48Å; N552-Y555 PolarHBondContact OD1-N 2.76Å
553	E	79.4	Confident	87.7	Confident	188 Å²	188	57.9 Å²	57.9	88%	0.879	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.6	-180	-60.4	-172.9	161.1	0	0	112.5	S551 Y555	S551-E553 PolarHBondContact O-N 3.37Å; E553-Y555 VanDerWaalsContact C-N 3.27Å; E553-Y555 PolarHBondContact O-N 2.88Å
554	N	76.8	Confident	87.7	Confident	145 Å²	145	61.4 Å²	61.4	78%	0.775	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	3.8	177.3	-61.5	-51.6	0	0	0	113.2	N552 V556	N552-N554 PolarHBondContact O-N 3.26Å; N552-N554 PolarHBondContact OD1-N 3.11Å; N552-N554 VanDerWaalsContact OD1-N 3.08Å; N554-V556 PolarHBondContact O-N 2.92Å; N554-V556 VanDerWaalsContact O-N 3.15Å
555	Y	80.5	Confident	87.8	Confident	74 Å²	74	66.8 Å²	66.8	29%	0.29	33%	0.332	S	S	.	.			trans	-71.6	108.7	-177.1	172.9	-112.7	0	0	0	112.4	G489 R491 N552 E553 P557	G489-Y555 WeakPolarHBondContact O-CE2 3.12Å; R491-Y555 HydrophobicContact CB-CD1 3.74Å; R491-Y555 HydrophobicContact CB-CD2 4.48Å; R491-Y555 HydrophobicContact CB-CE1 3.68Å; R491-Y555 HydrophobicContact CB-CE2 4.45Å; R491-Y555 HydrophobicContact CB-CG 4.14Å; R491-Y555 HydrophobicContact CG-CD1 3.84Å; R491-Y555 HydrophobicContact CG-CE1 3.96Å; N552-Y555 VanDerWaalsContact O-CB 3.22Å; N552-Y555 WeakPolarHBondContact O-CB 3.26Å; N552-Y555 PolarHBondContact O-N 3.48Å; N552-Y555 PolarHBondContact OD1-N 2.76Å; E553-Y555 VanDerWaalsContact C-N 3.27Å; E553-Y555 PolarHBondContact O-N 2.88Å; Y555-P557 HydrophobicContact CD1-CG 4.49Å; Y555-P557 HydrophobicContact CE1-CG 3.72Å
556	V	82.1	Confident	87.8	Confident	64 Å²	64	63.1 Å²	63.1	39%	0.388	31%	0.305	S	S	.	.			trans	-105.5	119.5	167	-171.9	0	0	0	0	109.3	N554 H558 L560 K561	N554-V556 PolarHBondContact O-N 2.92Å; N554-V556 VanDerWaalsContact O-N 3.15Å; V556-H558 PolarHBondContact O-N 2.67Å; V556-L560 HydrophobicContact CG1-CB 4.39Å; V556-L560 HydrophobicContact CG1-CD2 4.23Å; V556-L560 HydrophobicContact CG1-CG 4.32Å; V556-K561 HydrophobicContact CG1-CB 3.88Å
557	P	86.9	Confident	87.7	Confident	30 Å²	30	62.9 Å²	62.9	20%	0.195	31%	0.306	C	S	.	.			trans	-56.6	135.9	174.3	-23.5	31.2	0	0	0	112.1	Y555 G559 L560 K561	Y555-P557 HydrophobicContact CD1-CG 4.49Å; Y555-P557 HydrophobicContact CE1-CG 3.72Å; P557-G559 VanDerWaalsContact C-N 3.32Å; P557-G559 PolarHBondContact O-N 3.38Å; P557-L560 HydrophobicContact CB-CB 4.11Å; P557-L560 HydrophobicContact CG-CB 4.37Å; P557-L560 WeakPolarHBondContact O-CA 3.3Å; P557-L560 WeakPolarHBondContact O-CB 3.38Å; P557-L560 PolarHBondContact O-N 3Å; P557-K561 PolarHBondContact O-N 3.17Å
558	H	90.8	Very high	87.7	Confident	19 Å²	19	63.9 Å²	63.9	9%	0.088	31%	0.31	C	S	.	.	H	α-helix	trans	-45.6	-53.1	177.5	167.4	77.6	0	0	0	112.9	Y438 A482 I484 V556 L560 K561 V562	Y438-H558 AromaticContact CE1-CD2 3.74Å; Y438-H558 AromaticContact CE1-NE2 3.46Å; Y438-H558 WeakPolarHBondContact CE1-NE2 3.42Å; Y438-H558 AromaticContact CZ-CD2 3.81Å; Y438-H558 AromaticContact CZ-NE2 3.47Å; Y438-H558 PolarHBondContact OH-CD2 3.39Å; Y438-H558 VanDerWaalsContact OH-CD2 3.29Å; Y438-H558 PolarHBondContact OH-NE2 3.28Å; A482-H558 PolarHBondContact O-ND1 3.05Å; I484-H558 HydrophobicContact CG1-CB 4.04Å; V556-H558 PolarHBondContact O-N 2.67Å; H558-L560 VanDerWaalsContact C-N 3.28Å; H558-L560 PolarHBondContact O-N 2.9Å; H558-K561 PolarHBondContact O-N 3Å; H558-V562 WeakPolarHBondContact O-CG2 3.34Å; H558-V562 PolarHBondContact O-N 3.05Å
559	G	92.2	Very high	87.7	Confident	3 Å²	3	66 Å²	66	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-29.4	-179.7	0	0	0	0	0	114.1	P557 V563	P557-G559 VanDerWaalsContact C-N 3.32Å; P557-G559 PolarHBondContact O-N 3.38Å; G559-V563 WeakPolarHBondContact O-CB 3.44Å; G559-V563 WeakPolarHBondContact O-CG2 3.38Å; G559-V563 PolarHBondContact O-N 3.5Å
560	L	91.4	Very high	87.8	Confident	34 Å²	34	59.9 Å²	59.9	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-48.8	172.9	178.9	57.5	0	0	0	110.3	H441 V556 P557 H558 V562 V563 Q564	H441-L560 HydrophobicContact CB-CD1 4.3Å; H441-L560 VanDerWaalsContact CD2-CA 3.49Å; H441-L560 WeakPolarHBondContact CD2-CA 3.46Å; H441-L560 PolarHBondContact CD2-N 3.1Å; V556-L560 HydrophobicContact CG1-CB 4.39Å; V556-L560 HydrophobicContact CG1-CD2 4.23Å; V556-L560 HydrophobicContact CG1-CG 4.32Å; P557-L560 HydrophobicContact CB-CB 4.11Å; P557-L560 HydrophobicContact CG-CB 4.37Å; P557-L560 WeakPolarHBondContact O-CA 3.3Å; P557-L560 WeakPolarHBondContact O-CB 3.38Å; P557-L560 PolarHBondContact O-N 3Å; H558-L560 VanDerWaalsContact C-N 3.28Å; H558-L560 PolarHBondContact O-N 2.9Å; L560-V562 PolarHBondContact O-N 3.38Å; L560-V563 PolarHBondContact O-N 3.15Å; L560-Q564 HydrophobicContact CD1-CG 3.88Å; L560-Q564 HydrophobicContact CG-CG 4.15Å; L560-Q564 WeakPolarHBondContact O-CB 3.36Å; L560-Q564 VanDerWaalsContact O-CG 3.31Å; L560-Q564 WeakPolarHBondContact O-CG 3.49Å; L560-Q564 PolarHBondContact O-N 3.43Å
561	K	92.1	Very high	88	Confident	78 Å²	78	57.1 Å²	57.1	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-40.8	-177.2	-168.4	167.3	177.9	-177.8	0	112.5	Q481 A482 V556 P557 H558 Q564 Y565	Q481-K561 VanDerWaalsContact O-CE 3.26Å; Q481-K561 WeakPolarHBondContact O-CE 3.27Å; Q481-K561 PolarHBondContact O-NZ 3.38Å; A482-K561 HydrophobicContact CB-CB 3.96Å; A482-K561 HydrophobicContact CB-CD 4.04Å; A482-K561 HydrophobicContact CB-CG 4.09Å; V556-K561 HydrophobicContact CG1-CB 3.88Å; P557-K561 PolarHBondContact O-N 3.17Å; H558-K561 PolarHBondContact O-N 3Å; K561-Q564 PolarHBondContact O-N 3.29Å; K561-Y565 PolarHBondContact O-N 3.36Å
562	V	94.9	Very high	88.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-45.5	174.4	174.7	0	0	0	0	111.4	Y438 L476 F480 A482 H558 L560 Y565 H566 L577	Y438-V562 HydrophobicContact CD1-CB 4.21Å; Y438-V562 HydrophobicContact CD1-CG1 4.21Å; Y438-V562 HydrophobicContact CE1-CB 4.04Å; Y438-V562 HydrophobicContact CE1-CG1 4.12Å; Y438-V562 HydrophobicContact CE1-CG2 4.2Å; L476-V562 HydrophobicContact CB-CG2 4.42Å; F480-V562 HydrophobicContact CB-CG2 4.24Å; F480-V562 HydrophobicContact CD2-CG1 3.93Å; F480-V562 HydrophobicContact CD2-CG2 4.14Å; F480-V562 HydrophobicContact CE2-CG1 4.31Å; A482-V562 HydrophobicContact CB-CG2 3.92Å; H558-V562 WeakPolarHBondContact O-CG2 3.34Å; H558-V562 PolarHBondContact O-N 3.05Å; L560-V562 PolarHBondContact O-N 3.38Å; V562-Y565 PolarHBondContact O-N 2.98Å; V562-H566 PolarHBondContact O-CD2 3.47Å; V562-H566 PolarHBondContact O-N 3.48Å; V562-H566 VanDerWaalsContact O-N 3.15Å; V562-L577 HydrophobicContact CG1-CD1 4.01Å; V562-L577 HydrophobicContact CG1-CD2 4.05Å
563	V	94.4	Very high	89	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-36.4	179.2	172.9	0	0	0	0	111.8	Y438 H441 F442 G559 L560 H566 S567 L574 L577 L619	Y438-V563 HydrophobicContact CD1-CG2 4.46Å; H441-V563 HydrophobicContact CB-CB 4.07Å; H441-V563 HydrophobicContact CB-CG1 3.9Å; H441-V563 HydrophobicContact CB-CG2 4.28Å; F442-V563 HydrophobicContact CD1-CG1 4.15Å; F442-V563 HydrophobicContact CD1-CG2 3.9Å; F442-V563 HydrophobicContact CE1-CG2 3.74Å; G559-V563 WeakPolarHBondContact O-CB 3.44Å; G559-V563 WeakPolarHBondContact O-CG2 3.38Å; G559-V563 PolarHBondContact O-N 3.5Å; L560-V563 PolarHBondContact O-N 3.15Å; V563-H566 PolarHBondContact O-N 2.93Å; V563-S567 WeakPolarHBondContact O-CB 3.47Å; V563-S567 PolarHBondContact O-N 2.88Å; V563-S567 PolarHBondContact O-OG 2.81Å; V563-L574 HydrophobicContact CG1-CD2 3.97Å; V563-L577 HydrophobicContact CG2-CD2 3.9Å; V563-L619 HydrophobicContact CG1-CD2 3.74Å
564	Q	92.6	Very high	89.7	Confident	75 Å²	75	50.6 Å²	50.6	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-46.5	172.6	-80	172.9	-27.5	0	0	111.9	L560 K561 S567 Q568 L619	L560-Q564 HydrophobicContact CD1-CG 3.88Å; L560-Q564 HydrophobicContact CG-CG 4.15Å; L560-Q564 WeakPolarHBondContact O-CB 3.36Å; L560-Q564 VanDerWaalsContact O-CG 3.31Å; L560-Q564 WeakPolarHBondContact O-CG 3.49Å; L560-Q564 PolarHBondContact O-N 3.43Å; K561-Q564 PolarHBondContact O-N 3.29Å; Q564-S567 PolarHBondContact O-N 3.14Å; Q564-Q568 PolarHBondContact O-N 2.82Å; Q564-L619 HydrophobicContact CB-CD1 4.27Å; Q564-L619 HydrophobicContact CG-CD1 3.55Å
565	Y	93	Very high	90.5	Very high	128 Å²	128	44.1 Å²	44.1	50%	0.502	22%	0.222	S	C	.	.	H	α-helix	trans	-58.3	-51.8	175.7	-176.9	-84.5	0	0	0	111.3	F480 K561 V562 S567 Q568	F480-Y565 AromaticContact CD1-CD1 3.31Å; F480-Y565 HydrophobicContact CD1-CD1 3.31Å; F480-Y565 HydrophobicContact CD1-CD2 4.11Å; F480-Y565 AromaticContact CD1-CE1 3.61Å; F480-Y565 HydrophobicContact CD1-CE1 3.61Å; F480-Y565 HydrophobicContact CD1-CE2 4.34Å; F480-Y565 AromaticContact CD1-CG 3.6Å; F480-Y565 HydrophobicContact CD1-CG 3.6Å; F480-Y565 AromaticContact CE1-CD1 3.34Å; F480-Y565 HydrophobicContact CE1-CD1 3.34Å; F480-Y565 AromaticContact CE1-CE1 3.36Å; F480-Y565 HydrophobicContact CE1-CE1 3.36Å; F480-Y565 HydrophobicContact CE1-CG 4.13Å; F480-Y565 HydrophobicContact CG-CD1 4.38Å; F480-Y565 HydrophobicContact CG-CG 4.43Å; F480-Y565 HydrophobicContact CZ-CD1 4.41Å; K561-Y565 PolarHBondContact O-N 3.36Å; V562-Y565 PolarHBondContact O-N 2.98Å; Y565-S567 VanDerWaalsContact C-N 3.26Å; Y565-S567 PolarHBondContact O-N 3.49Å; Y565-Q568 WeakPolarHBondContact O-CB 3.45Å; Y565-Q568 PolarHBondContact O-N 2.84Å
566	H	92.6	Very high	91.2	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.06	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-34.3	179.1	-83.3	-80.6	0	0	0	112.8	F480 V562 V563 Q568 G569 S573 L574	F480-H566 AromaticContact CE2-NE2 3.66Å; F480-H566 AromaticContact CZ-NE2 3.35Å; F480-H566 VanDerWaalsContact CZ-NE2 3.35Å; F480-H566 WeakPolarHBondContact CZ-NE2 3.43Å; V562-H566 PolarHBondContact O-CD2 3.47Å; V562-H566 PolarHBondContact O-N 3.48Å; V562-H566 VanDerWaalsContact O-N 3.15Å; V563-H566 PolarHBondContact O-N 2.93Å; H566-Q568 VanDerWaalsContact C-N 3.26Å; H566-Q568 PolarHBondContact O-N 2.99Å; H566-G569 PolarHBondContact O-N 2.82Å; H566-S573 WeakPolarHBondContact CA-OG 3.06Å; H566-S573 PolarHBondContact ND1-O 3.43Å; H566-S573 PolarHBondContact ND1-OG 3.13Å; H566-S573 WeakPolarHBondContact O-CB 3.48Å; H566-S573 PolarHBondContact O-OG 2.86Å; H566-L574 HydrophobicContact CB-CD2 3.84Å; H566-L574 HydrophobicContact CB-CG 4.5Å
567	S	90.3	Very high	91.9	Very high	17 Å²	17	43.5 Å²	43.5	12%	0.119	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-25.2	-179.5	-58.1	0	0	0	0	114.1	V563 Q564 Y565 G569 G570 L619	V563-S567 WeakPolarHBondContact O-CB 3.47Å; V563-S567 PolarHBondContact O-N 2.88Å; V563-S567 PolarHBondContact O-OG 2.81Å; Q564-S567 PolarHBondContact O-N 3.14Å; Y565-S567 VanDerWaalsContact C-N 3.26Å; Y565-S567 PolarHBondContact O-N 3.49Å; S567-G569 PolarHBondContact O-N 3.09Å; S567-G570 PolarHBondContact O-N 2.9Å; S567-L619 WeakPolarHBondContact OG-CD2 3.37Å
568	Q	88.9	Confident	92.3	Very high	162 Å²	162	42.3 Å²	42.3	76%	0.757	21%	0.209	S	C	*	.	H	α-helix	trans	-65	-26	172.1	-63.5	170.5	13	0	0	112.1	Q564 Y565 H566 G570	Q564-Q568 PolarHBondContact O-N 2.82Å; Y565-Q568 WeakPolarHBondContact O-CB 3.45Å; Y565-Q568 PolarHBondContact O-N 2.84Å; H566-Q568 VanDerWaalsContact C-N 3.26Å; H566-Q568 PolarHBondContact O-N 2.99Å; Q568-G570 VanDerWaalsContact C-N 3.34Å
569	G	86.5	Confident	92.6	Very high	47 Å²	47	42.3 Å²	42.3	49%	0.485	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	17	175	0	0	0	0	0	114.5	H566 S567 S573	H566-G569 PolarHBondContact O-N 2.82Å; S567-G569 PolarHBondContact O-N 3.09Å; G569-S573 VanDerWaalsContact O-CB 3.25Å; G569-S573 WeakPolarHBondContact O-CB 3.2Å
570	G	89.2	Confident	92.9	Very high	20 Å²	20	45.8 Å²	45.8	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	68.4	-169.8	176.5	0	0	0	0	0	114.8	S567 Q568 R572 S573 L574	S567-G570 PolarHBondContact O-N 2.9Å; Q568-G570 VanDerWaalsContact C-N 3.34Å; G570-R572 VanDerWaalsContact C-N 3.33Å; G570-R572 PolarHBondContact O-N 1.98Å; G570-S573 PolarHBondContact O-N 3.34Å; G570-S573 VanDerWaalsContact O-N 3.15Å; G570-L574 PolarHBondContact O-N 3.49Å
571	L	90.4	Very high	93.2	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-38.9	-172.5	-179.7	59	0	0	0	112.6	M446 S573 L574 M575 L607 L608	M446-L571 HydrophobicContact CG-CD1 4.19Å; M446-L571 HydrophobicContact SD-CD1 3.78Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.01Å; L571-L574 PolarHBondContact O-N 3.31Å; L571-M575 HydrophobicContact CD1-CE 3.86Å; L571-M575 HydrophobicContact CD2-CE 3.9Å; L571-M575 HydrophobicContact CG-CE 3.63Å; L571-M575 HydrophobicContact CG-SD 4.29Å; L571-M575 WeakPolarHBondContact O-CG 3.18Å; L571-M575 PolarHBondContact O-N 2.88Å; L571-L607 HydrophobicContact CD2-CB 4.39Å; L571-L608 HydrophobicContact CD2-CD2 4.25Å
572	R	91.5	Very high	93.5	Very high	135 Å²	135	40.8 Å²	40.8	51%	0.509	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-35.7	177	-77	178.6	167.4	-114.8	8.2	112.8	G570 M575 Q576 L608 E613	G570-R572 VanDerWaalsContact C-N 3.33Å; G570-R572 PolarHBondContact O-N 1.98Å; R572-M575 WeakPolarHBondContact O-CB 3.5Å; R572-M575 PolarHBondContact O-N 2.94Å; R572-Q576 WeakPolarHBondContact O-CG 3.4Å; R572-Q576 PolarHBondContact O-N 3.16Å; R572-L608 HydrophobicContact CG-CD2 4.18Å; R572-E613 IonicContact CZ-OE1 3.16Å; R572-E613 IonicContact NE-OE1 2.84Å; R572-E613 PolarHBondContact NE-OE1 2.75Å; R572-E613 IonicContact NE-OE2 3.59Å; R572-E613 IonicContact NH2-OE1 2.66Å; R572-E613 PolarHBondContact NH2-OE1 3.02Å; R572-E613 IonicContact NH2-OE2 3.77Å
573	S	92.6	Very high	93.6	Very high	16 Å²	16	44.3 Å²	44.3	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-72.9	-36.8	178.3	180	0	0	0	0	112.3	H566 G569 G570 L571 Q576 L577	H566-S573 WeakPolarHBondContact CA-OG 3.06Å; H566-S573 PolarHBondContact ND1-O 3.43Å; H566-S573 PolarHBondContact ND1-OG 3.13Å; H566-S573 WeakPolarHBondContact O-CB 3.48Å; H566-S573 PolarHBondContact O-OG 2.86Å; G569-S573 VanDerWaalsContact O-CB 3.25Å; G569-S573 WeakPolarHBondContact O-CB 3.2Å; G570-S573 PolarHBondContact O-N 3.34Å; G570-S573 VanDerWaalsContact O-N 3.15Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.01Å; S573-Q576 WeakPolarHBondContact O-CB 3.26Å; S573-Q576 PolarHBondContact O-N 3.13Å; S573-L577 PolarHBondContact O-N 3.42Å
574	L	93.1	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-38.2	169.7	-74.1	178.9	0	0	0	112.7	P443 M446 V563 H566 G570 L571 Q576 L577 E578 I617	P443-L574 HydrophobicContact CG-CD1 3.49Å; P443-L574 VanDerWaalsContact CG-CD1 3.49Å; M446-L574 HydrophobicContact CE-CB 4.15Å; M446-L574 HydrophobicContact SD-CB 3.78Å; M446-L574 HydrophobicContact SD-CD1 3.88Å; V563-L574 HydrophobicContact CG1-CD2 3.97Å; H566-L574 HydrophobicContact CB-CD2 3.84Å; H566-L574 HydrophobicContact CB-CG 4.5Å; G570-L574 PolarHBondContact O-N 3.49Å; L571-L574 PolarHBondContact O-N 3.31Å; L574-Q576 VanDerWaalsContact C-N 3.3Å; L574-Q576 PolarHBondContact O-N 3.21Å; L574-L577 PolarHBondContact O-N 2.76Å; L574-E578 PolarHBondContact O-N 2.87Å; L574-I617 HydrophobicContact CD1-CD1 3.46Å; L574-I617 VanDerWaalsContact CD1-CD1 3.46Å; L574-I617 HydrophobicContact CD1-CG1 4.09Å; L574-I617 HydrophobicContact CD1-CG2 4.3Å; L574-I617 HydrophobicContact CG-CD1 4.06Å
575	M	94.2	Very high	94.1	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-39.9	172.1	-74.7	171.9	178.8	0	0	111.7	M446 L571 R572 L577 E578 S579 H604 L607 L608	M446-M575 HydrophobicContact CE-CG 4.33Å; L571-M575 HydrophobicContact CD1-CE 3.86Å; L571-M575 HydrophobicContact CD2-CE 3.9Å; L571-M575 HydrophobicContact CG-CE 3.63Å; L571-M575 HydrophobicContact CG-SD 4.29Å; L571-M575 WeakPolarHBondContact O-CG 3.18Å; L571-M575 PolarHBondContact O-N 2.88Å; R572-M575 WeakPolarHBondContact O-CB 3.5Å; R572-M575 PolarHBondContact O-N 2.94Å; M575-L577 PolarHBondContact O-N 2.87Å; M575-E578 WeakPolarHBondContact O-CB 3.3Å; M575-E578 PolarHBondContact O-N 2.87Å; M575-S579 PolarHBondContact O-N 2.78Å; M575-S579 PolarHBondContact O-OG 2.95Å; M575-H604 HydrophobicContact CE-CB 4.14Å; M575-H604 WeakPolarHBondContact CE-O 3.49Å; M575-H604 HydrophobicContact CG-CB 4.43Å; M575-H604 PolarHBondContact O-CE1 2.87Å; M575-H604 HydrophobicContact SD-CB 3.87Å; M575-L607 HydrophobicContact CE-CB 3.47Å; M575-L607 VanDerWaalsContact CE-CB 3.47Å; M575-L607 HydrophobicContact CE-CD1 3.79Å; M575-L607 HydrophobicContact CE-CG 4.28Å; M575-L608 HydrophobicContact CE-CD2 4.42Å; M575-L608 HydrophobicContact CE-CG 4.11Å; M575-L608 HydrophobicContact SD-CD1 4.43Å; M575-L608 HydrophobicContact SD-CD2 4.31Å; M575-L608 HydrophobicContact SD-CG 4.17Å
576	Q	95.5	Very high	94.3	Very high	124 Å²	124	38.3 Å²	38.3	58%	0.579	20%	0.195	S	C	*	.	H	α-helix	trans	-62.6	-40.2	174.5	-70.3	165.7	5.8	0	0	112.8	R572 S573 L574 E578 R580	R572-Q576 WeakPolarHBondContact O-CG 3.4Å; R572-Q576 PolarHBondContact O-N 3.16Å; S573-Q576 WeakPolarHBondContact O-CB 3.26Å; S573-Q576 PolarHBondContact O-N 3.13Å; L574-Q576 VanDerWaalsContact C-N 3.3Å; L574-Q576 PolarHBondContact O-N 3.21Å; Q576-E578 VanDerWaalsContact C-N 3.31Å; Q576-E578 PolarHBondContact O-N 2.81Å; Q576-R580 VanDerWaalsContact O-CB 3.22Å; Q576-R580 WeakPolarHBondContact O-CB 3.35Å; Q576-R580 PolarHBondContact O-N 2.81Å
577	L	96.1	Very high	94.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-39.6	174.1	179.7	61.1	0	0	0	111.7	F442 L476 V562 V563 S573 L574 M575 W581	F442-L577 HydrophobicContact CE1-CD2 4.03Å; F442-L577 HydrophobicContact CZ-CD2 4.26Å; F442-L577 HydrophobicContact CZ-CG 4.5Å; L476-L577 HydrophobicContact CD2-CD1 4.38Å; V562-L577 HydrophobicContact CG1-CD1 4.01Å; V562-L577 HydrophobicContact CG1-CD2 4.05Å; V563-L577 HydrophobicContact CG2-CD2 3.9Å; S573-L577 PolarHBondContact O-N 3.42Å; L574-L577 PolarHBondContact O-N 2.76Å; M575-L577 PolarHBondContact O-N 2.87Å; L577-W581 PolarHBondContact O-N 3.46Å
578	E	95.5	Very high	94.7	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-51.7	175.7	177	159.6	112.4	0	0	112.3	I434 R439 F442 L574 M575 Q576 R580 W581 R582 H604	I434-E578 HydrophobicContact CD1-CB 4.44Å; I434-E578 HydrophobicContact CD1-CG 3.65Å; I434-E578 WeakPolarHBondContact CD1-OE2 3.28Å; R439-E578 IonicContact CZ-OE2 2.66Å; R439-E578 IonicContact NH1-OE2 2.92Å; R439-E578 PolarHBondContact NH1-OE2 3Å; F442-E578 HydrophobicContact CE2-CB 4.23Å; L574-E578 PolarHBondContact O-N 2.87Å; M575-E578 WeakPolarHBondContact O-CB 3.3Å; M575-E578 PolarHBondContact O-N 2.87Å; Q576-E578 VanDerWaalsContact C-N 3.31Å; Q576-E578 PolarHBondContact O-N 2.81Å; E578-R580 VanDerWaalsContact C-N 3.27Å; E578-R580 PolarHBondContact O-N 3.37Å; E578-W581 PolarHBondContact O-N 3.22Å; E578-R582 VanDerWaalsContact CD-CZ 3.42Å; E578-R582 VanDerWaalsContact CG-CZ 3.45Å; E578-R582 PolarHBondContact O-N 3.36Å; E578-R582 IonicContact OE1-CZ 2.71Å; E578-R582 IonicContact OE1-NH1 2.69Å; E578-R582 PolarHBondContact OE1-NH1 3.06Å; E578-R582 IonicContact OE1-NH2 2.83Å; E578-R582 PolarHBondContact OE1-NH2 2.88Å; E578-R582 IonicContact OE2-NH2 3.77Å; E578-H604 IonicContact OE1-CD2 2.7Å; E578-H604 IonicContact OE1-NE2 3.64Å; E578-H604 PolarHBondContact OE1-NE2 3.24Å
579	S	97.4	Very high	95.1	Very high	20 Å²	20	34.6 Å²	34.6	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-37.3	176.3	-63.8	0	0	0	0	111.5	M575 W581 R582 Q583 V600 D601 H604	M575-S579 PolarHBondContact O-N 2.78Å; M575-S579 PolarHBondContact O-OG 2.95Å; S579-W581 PolarHBondContact O-N 3.3Å; S579-R582 PolarHBondContact O-N 3.45Å; S579-Q583 VanDerWaalsContact O-CB 3.23Å; S579-Q583 WeakPolarHBondContact O-CB 3.19Å; S579-Q583 PolarHBondContact O-N 3.19Å; S579-V600 VanDerWaalsContact CB-CG1 3.48Å; S579-V600 WeakPolarHBondContact O-CG1 2.62Å; S579-D601 PolarHBondContact OG-OD1 3.31Å; S579-H604 PolarHBondContact OG-CE1 3.48Å
580	R	97.9	Very high	95.5	Very high	76 Å²	76	38.4 Å²	38.4	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-43.1	176.2	-174.9	174.3	-178.8	179.1	-1.5	112.6	E479 Q576 E578 H584	E479-R580 VanDerWaalsContact CD-NH2 3.3Å; E479-R580 IonicContact OE1-CZ 3.15Å; E479-R580 IonicContact OE1-NH1 3.29Å; E479-R580 IonicContact OE1-NH2 2.87Å; E479-R580 PolarHBondContact OE1-NH2 3.42Å; E479-R580 IonicContact OE2-CZ 3.28Å; E479-R580 VanDerWaalsContact OE2-CZ 3.29Å; E479-R580 IonicContact OE2-NH1 2.83Å; E479-R580 PolarHBondContact OE2-NH1 3.04Å; E479-R580 IonicContact OE2-NH2 2.67Å; E479-R580 PolarHBondContact OE2-NH2 3.49Å; Q576-R580 VanDerWaalsContact O-CB 3.22Å; Q576-R580 WeakPolarHBondContact O-CB 3.35Å; Q576-R580 PolarHBondContact O-N 2.81Å; E578-R580 VanDerWaalsContact C-N 3.27Å; E578-R580 PolarHBondContact O-N 3.37Å; R580-H584 WeakPolarHBondContact O-CB 3.38Å; R580-H584 PolarHBondContact O-N 3.21Å
581	W	98.1	Very high	95.9	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-39.8	175.5	-87.2	105.9	0	0	0	112.7	I434 P435 Y438 D469 L472 K473 L476 L577 E578 S579 F585	I434-W581 HydrophobicContact CG1-CB 4.18Å; I434-W581 HydrophobicContact CG2-CG 4.48Å; P435-W581 VanDerWaalsContact CD-CE3 3.41Å; P435-W581 HydrophobicContact CG-CD2 4.08Å; P435-W581 HydrophobicContact CG-CE3 3.82Å; P435-W581 HydrophobicContact CG-CH2 3.64Å; P435-W581 HydrophobicContact CG-CZ2 3.87Å; P435-W581 HydrophobicContact CG-CZ3 3.59Å; Y438-W581 HydrophobicContact CD2-CZ2 4.15Å; Y438-W581 AromaticContact CD2-NE1 3.71Å; Y438-W581 AromaticContact CE2-CE2 3.64Å; Y438-W581 HydrophobicContact CE2-CH2 4.3Å; Y438-W581 AromaticContact CE2-CZ2 3.33Å; Y438-W581 HydrophobicContact CE2-CZ2 3.33Å; Y438-W581 AromaticContact CE2-NE1 3.68Å; Y438-W581 AromaticContact CZ-CZ2 3.83Å; D469-W581 HydrophobicContact CB-CH2 4.43Å; D469-W581 HydrophobicContact CB-CZ3 4.13Å; L472-W581 HydrophobicContact CB-CH2 4.16Å; L472-W581 HydrophobicContact CD2-CD2 3.85Å; L472-W581 HydrophobicContact CD2-CE3 3.77Å; L472-W581 HydrophobicContact CD2-CH2 3.81Å; L472-W581 HydrophobicContact CD2-CZ2 3.91Å; L472-W581 HydrophobicContact CD2-CZ3 3.76Å; L472-W581 HydrophobicContact CG-CH2 4.01Å; L472-W581 HydrophobicContact CG-CZ2 4.06Å; L472-W581 HydrophobicContact CG-CZ3 4.41Å; K473-W581 HydrophobicContact CG-CH2 3.75Å; K473-W581 HydrophobicContact CG-CZ2 4Å; L476-W581 HydrophobicContact CD1-CZ2 3.64Å; L577-W581 PolarHBondContact O-N 3.46Å; E578-W581 PolarHBondContact O-N 3.22Å; S579-W581 PolarHBondContact O-N 3.3Å; W581-F585 PolarHBondContact O-N 3.47Å
582	R	98	Very high	96.2	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-45.2	177.1	-73.6	175.5	179.3	154.9	10.1	112.4	V433 D453 E578 S579 F585 L586 W598 V600 H602	V433-R582 HydrophobicContact CG1-CB 4.46Å; V433-R582 HydrophobicContact CG1-CG 4.04Å; D453-R582 IonicContact OD1-CZ 2.87Å; D453-R582 IonicContact OD1-NE 3.59Å; D453-R582 PolarHBondContact OD1-NE 2.72Å; D453-R582 IonicContact OD1-NH2 3.56Å; D453-R582 PolarHBondContact OD1-NH2 3.19Å; D453-R582 IonicContact OD2-CZ 3.98Å; D453-R582 IonicContact OD2-NE 2.87Å; D453-R582 IonicContact OD2-NH2 3.79Å; D453-R582 PolarHBondContact OD2-NH2 2.83Å; E578-R582 VanDerWaalsContact CD-CZ 3.42Å; E578-R582 VanDerWaalsContact CG-CZ 3.45Å; E578-R582 PolarHBondContact O-N 3.36Å; E578-R582 IonicContact OE1-CZ 2.71Å; E578-R582 IonicContact OE1-NH1 2.69Å; E578-R582 PolarHBondContact OE1-NH1 3.06Å; E578-R582 IonicContact OE1-NH2 2.83Å; E578-R582 PolarHBondContact OE1-NH2 2.88Å; E578-R582 IonicContact OE2-NH2 3.77Å; S579-R582 PolarHBondContact O-N 3.45Å; R582-F585 PolarHBondContact O-N 3.23Å; R582-L586 PolarHBondContact O-N 3.25Å; R582-W598 HydrophobicContact CB-CH2 3.69Å; R582-W598 HydrophobicContact CB-CZ2 4.19Å; R582-W598 HydrophobicContact CG-CH2 3.96Å; R582-W598 HydrophobicContact CG-CZ2 3.93Å; R582-V600 HydrophobicContact CB-CB 4.39Å; R582-V600 HydrophobicContact CB-CG1 4.09Å; R582-V600 HydrophobicContact CB-CG2 4.34Å; R582-V600 WeakPolarHBondContact CD-O 3.39Å; R582-V600 PolarHBondContact NH1-O 2.7Å; R582-H602 PolarHBondContact NH1-O 2.69Å
583	Q	98.3	Very high	96.4	Very high	74 Å²	74	43.9 Å²	43.9	35%	0.346	21%	0.211	S	C	.	.	H	α-helix	trans	-65.3	-44.2	176.7	-171.3	60.8	49.8	0	0	111.3	S579 F585 L586 D587 V600	S579-Q583 VanDerWaalsContact O-CB 3.23Å; S579-Q583 WeakPolarHBondContact O-CB 3.19Å; S579-Q583 PolarHBondContact O-N 3.19Å; Q583-F585 PolarHBondContact O-N 3.32Å; Q583-L586 WeakPolarHBondContact O-CA 3.48Å; Q583-L586 WeakPolarHBondContact O-CB 3.44Å; Q583-L586 PolarHBondContact O-N 3.34Å; Q583-D587 PolarHBondContact NE2-OD1 2.98Å; Q583-D587 VanDerWaalsContact O-CG 3.29Å; Q583-D587 PolarHBondContact O-N 2.91Å; Q583-V600 HydrophobicContact CB-CG1 4.45Å
584	H	97.9	Very high	96.5	Very high	30 Å²	30	45.3 Å²	45.3	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-54.3	-39.3	174.1	172.3	76.7	0	0	0	112.7	Y468 D469 L472 R580 S588	Y468-H584 WeakPolarHBondContact CA-NE2 3.44Å; Y468-H584 WeakPolarHBondContact CB-CE1 3.36Å; Y468-H584 VanDerWaalsContact CB-NE2 3.31Å; Y468-H584 WeakPolarHBondContact CB-NE2 2.96Å; Y468-H584 PolarHBondContact O-CE1 3.28Å; Y468-H584 PolarHBondContact O-NE2 3.41Å; D469-H584 WeakPolarHBondContact CA-NE2 3.23Å; D469-H584 PolarHBondContact N-NE2 2.98Å; D469-H584 IonicContact OD1-NE2 2.67Å; L472-H584 HydrophobicContact CD2-CB 3.7Å; R580-H584 WeakPolarHBondContact O-CB 3.38Å; R580-H584 PolarHBondContact O-N 3.21Å; H584-S588 VanDerWaalsContact O-CB 3.29Å; H584-S588 WeakPolarHBondContact O-CB 3.22Å; H584-S588 PolarHBondContact O-N 3.39Å; H584-S588 PolarHBondContact O-OG 3.03Å
585	F	98.1	Very high	96.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-40.6	173.9	176.9	-99.8	0	0	0	112.6	V420 V421 V433 L455 L457 W581 R582 Q583 M589 P591 L594 W598	V420-F585 HydrophobicContact CG2-CE1 4.38Å; V420-F585 HydrophobicContact CG2-CZ 3.88Å; V421-F585 HydrophobicContact CG2-CZ 4.26Å; V433-F585 HydrophobicContact CG1-CB 3.77Å; V433-F585 HydrophobicContact CG1-CG 4.19Å; V433-F585 HydrophobicContact CG2-CD1 4.27Å; V433-F585 HydrophobicContact CG2-CG 4.22Å; L455-F585 HydrophobicContact CD1-CD1 4.11Å; L455-F585 HydrophobicContact CD1-CE1 3.43Å; L455-F585 VanDerWaalsContact CD1-CE1 3.43Å; L455-F585 HydrophobicContact CD1-CZ 3.82Å; L457-F585 HydrophobicContact CD1-CE2 4.26Å; L457-F585 HydrophobicContact CD2-CE2 4.25Å; L457-F585 HydrophobicContact CD2-CZ 4.23Å; W581-F585 PolarHBondContact O-N 3.47Å; R582-F585 PolarHBondContact O-N 3.23Å; Q583-F585 PolarHBondContact O-N 3.32Å; F585-M589 HydrophobicContact CD2-CB 4.15Å; F585-M589 HydrophobicContact CD2-CG 3.76Å; F585-M589 HydrophobicContact CE2-CB 3.94Å; F585-M589 HydrophobicContact CE2-CG 3.77Å; F585-M589 HydrophobicContact CZ-CB 4.33Å; F585-M589 WeakPolarHBondContact O-CB 3.46Å; F585-M589 PolarHBondContact O-N 2.66Å; F585-P591 HydrophobicContact CE1-CB 4.31Å; F585-P591 HydrophobicContact CE1-CG 3.94Å; F585-L594 HydrophobicContact CE1-CD2 4.36Å; F585-W598 HydrophobicContact CD1-CH2 4.48Å
586	L	97.8	Very high	96.3	Very high	46 Å²	46	53.7 Å²	53.7	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-50.7	174	-66.6	-177.8	0	0	0	111.7	R582 Q583 Q590 P591 L594 W598 V600	R582-L586 PolarHBondContact O-N 3.25Å; Q583-L586 WeakPolarHBondContact O-CA 3.48Å; Q583-L586 WeakPolarHBondContact O-CB 3.44Å; Q583-L586 PolarHBondContact O-N 3.34Å; L586-Q590 WeakPolarHBondContact O-CA 3.46Å; L586-Q590 PolarHBondContact O-N 3.24Å; L586-P591 HydrophobicContact CD2-CG 3.99Å; L586-L594 HydrophobicContact CD2-CD1 3.47Å; L586-L594 VanDerWaalsContact CD2-CD1 3.47Å; L586-W598 HydrophobicContact CD1-CZ3 4.07Å; L586-W598 HydrophobicContact CD2-CE3 4.29Å; L586-W598 HydrophobicContact CD2-CH2 4.46Å; L586-W598 HydrophobicContact CD2-CZ3 3.68Å; L586-W598 HydrophobicContact CG-CH2 4.42Å; L586-W598 HydrophobicContact CG-CZ3 3.85Å; L586-V600 HydrophobicContact CD1-CG2 3.67Å
587	D	96.6	Very high	96.1	Very high	97 Å²	97	51.8 Å²	51.8	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-64.7	-48.3	-174.4	-60.4	-23	0	0	0	111.6	Q583 Q590	Q583-D587 PolarHBondContact NE2-OD1 2.98Å; Q583-D587 VanDerWaalsContact O-CG 3.29Å; Q583-D587 PolarHBondContact O-N 2.91Å; D587-Q590 WeakPolarHBondContact O-CG 3.25Å
588	S	95.3	Very high	96.1	Very high	15 Å²	15	52.8 Å²	52.8	11%	0.105	25%	0.253	C	S	.	.	H	α-helix	trans	-77.7	-33.8	-176.3	63.9	0	0	0	0	113.7	R150 H584	R150-S588 WeakPolarHBondContact CD-O 3.12Å; H584-S588 VanDerWaalsContact O-CB 3.29Å; H584-S588 WeakPolarHBondContact O-CB 3.22Å; H584-S588 PolarHBondContact O-N 3.39Å; H584-S588 PolarHBondContact O-OG 3.03Å
589	M	96	Very high	96.1	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-106.5	-11.4	-173.5	-56.7	-57.2	-59	0	0	114.5	R150 V421 C461 I464 S465 Y468 F585	R150-M589 PolarHBondContact NH1-O 3.05Å; R150-M589 PolarHBondContact NH2-O 3.29Å; V421-M589 HydrophobicContact CG1-CE 4.22Å; V421-M589 WeakPolarHBondContact CG1-O 3.35Å; V421-M589 HydrophobicContact CG2-CB 3.83Å; V421-M589 HydrophobicContact CG2-CE 4Å; C461-M589 HydrophobicContact CB-CE 4.01Å; C461-M589 WeakPolarHBondContact O-CE 3.13Å; I464-M589 HydrophobicContact CB-CE 4.26Å; I464-M589 HydrophobicContact CG2-CE 4.12Å; I464-M589 HydrophobicContact CG2-SD 4.01Å; S465-M589 WeakPolarHBondContact CA-SD 3.39Å; Y468-M589 HydrophobicContact CD2-SD 4.23Å; F585-M589 HydrophobicContact CD2-CB 4.15Å; F585-M589 HydrophobicContact CD2-CG 3.76Å; F585-M589 HydrophobicContact CE2-CB 3.94Å; F585-M589 HydrophobicContact CE2-CG 3.77Å; F585-M589 HydrophobicContact CZ-CB 4.33Å; F585-M589 WeakPolarHBondContact O-CB 3.46Å; F585-M589 PolarHBondContact O-N 2.66Å
590	Q	95.8	Very high	96	Very high	127 Å²	127	55 Å²	55	59%	0.593	27%	0.268	S	S	*	.			trans	29	65.4	-179.2	-46.4	166.5	-11.6	0	0	112.2	R150 L586 D587	R150-Q590 VanDerWaalsContact NH1-CB 3.3Å; L586-Q590 WeakPolarHBondContact O-CA 3.46Å; L586-Q590 PolarHBondContact O-N 3.24Å; D587-Q590 WeakPolarHBondContact O-CG 3.25Å
591	P	96.9	Very high	95.9	Very high	24 Å²	24	56.1 Å²	56.1	16%	0.156	28%	0.28	C	S	.	.			trans	-72.3	133.4	-166.6	28.9	-36.5	0	0	0	112.3	V420 V421 F585 L586 L594	V420-P591 HydrophobicContact CG2-CB 4.33Å; V420-P591 CarbonylContact O-C 3.59Å; V420-P591 WeakPolarHBondContact O-CB 3.43Å; V421-P591 HydrophobicContact CG2-CB 4.06Å; F585-P591 HydrophobicContact CE1-CB 4.31Å; F585-P591 HydrophobicContact CE1-CG 3.94Å; L586-P591 HydrophobicContact CD2-CG 3.99Å; P591-L594 HydrophobicContact CB-CD1 4.35Å; P591-L594 HydrophobicContact CB-CG 3.94Å; P591-L594 HydrophobicContact CG-CD1 3.44Å; P591-L594 VanDerWaalsContact CG-CD1 3.44Å; P591-L594 HydrophobicContact CG-CD2 4.41Å; P591-L594 HydrophobicContact CG-CG 3.58Å
592	K	96.5	Very high	95.5	Very high	170 Å²	170	57.2 Å²	57.2	74%	0.739	29%	0.285	S	S	*	.	S	Bend	trans	-90.3	-12.7	-176.2	-61.6	-173.4	178.3	-172	0	114.7	V420	V420-K592 PolarHBondContact O-N 3.04Å; V420-K592 VanDerWaalsContact O-N 3.14Å
593	H	96.3	Very high	95.1	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.366	30%	0.295	S	S	.	.	S	Bend	trans	-137.2	43.6	-173.5	-47.5	-89.1	0	0	0	111.2	L418 V420 G423	L418-H593 HydrophobicContact CD1-CB 3.51Å; V420-H593 WeakPolarHBondContact CB-O 3.07Å; V420-H593 CarbonylContact O-C 3.5Å; V420-H593 WeakPolarHBondContact O-CA 3.4Å; V420-H593 PolarHBondContact O-N 3.2Å; G423-H593 PolarHBondContact N-CD2 3.03Å; G423-H593 VanDerWaalsContact N-CD2 3.34Å
594	L	95.1	Very high	94.8	Very high	46 Å²	46	56.2 Å²	56.2	24%	0.241	28%	0.282	C	S	.	.			trans	-66.4	148.4	167	-89.5	176.1	0	0	0	110.6	V420 L455 F585 L586 P591 Q596 W598	V420-L594 HydrophobicContact CG2-CD2 4.49Å; L455-L594 HydrophobicContact CD1-CD2 3.6Å; L455-L594 HydrophobicContact CD2-CD2 4.14Å; F585-L594 HydrophobicContact CE1-CD2 4.36Å; L586-L594 HydrophobicContact CD2-CD1 3.47Å; L586-L594 VanDerWaalsContact CD2-CD1 3.47Å; P591-L594 HydrophobicContact CB-CD1 4.35Å; P591-L594 HydrophobicContact CB-CG 3.94Å; P591-L594 HydrophobicContact CG-CD1 3.44Å; P591-L594 VanDerWaalsContact CG-CD1 3.44Å; P591-L594 HydrophobicContact CG-CD2 4.41Å; P591-L594 HydrophobicContact CG-CG 3.58Å; L594-Q596 PolarHBondContact O-N 2.99Å; L594-W598 HydrophobicContact CD1-CD2 4.21Å; L594-W598 HydrophobicContact CD1-CE3 3.69Å; L594-W598 HydrophobicContact CD1-CZ3 4.22Å; L594-W598 HydrophobicContact CD2-CB 4.21Å; L594-W598 HydrophobicContact CD2-CD2 3.92Å; L594-W598 HydrophobicContact CD2-CE3 4.24Å; L594-W598 HydrophobicContact CD2-CG 3.9Å
595	P	92.7	Very high	94.4	Very high	23 Å²	23	62 Å²	62	15%	0.149	31%	0.309	C	S	.	.			trans	-58.3	137.2	165.6	-19.8	32.3	0	0	0	110.3	Y410 M413 Q597 W598	Y410-P595 HydrophobicContact CD2-CB 4.32Å; Y410-P595 HydrophobicContact CE2-CB 3.78Å; Y410-P595 HydrophobicContact CE2-CG 3.94Å; M413-P595 HydrophobicContact SD-CB 4.49Å; P595-Q597 PolarHBondContact O-N 3.36Å; P595-Q597 VanDerWaalsContact O-N 3.09Å; P595-W598 HydrophobicContact CB-CB 4.45Å; P595-W598 WeakPolarHBondContact O-CB 3.15Å; P595-W598 PolarHBondContact O-N 2.98Å
596	Q	90.9	Very high	93.9	Very high	163 Å²	163	65.3 Å²	65.3	76%	0.762	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.8	-171.8	-170	-178.4	9.4	0	0	114.6	M413 L594	M413-Q596 HydrophobicContact CE-CB 3.79Å; L594-Q596 PolarHBondContact O-N 2.99Å
597	Q	91.8	Very high	93.4	Very high	84 Å²	84	64 Å²	64	39%	0.393	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.2	-179.3	-57.5	-68.2	-15.5	0	0	112.6	G408 Y410 M413 P595	G408-Q597 VanDerWaalsContact O-CG 3.25Å; G408-Q597 WeakPolarHBondContact O-CG 3.44Å; Y410-Q597 HydrophobicContact CD2-CB 4.4Å; M413-Q597 HydrophobicContact CE-CG 4.43Å; M413-Q597 HydrophobicContact CG-CG 4.39Å; M413-Q597 HydrophobicContact SD-CB 3.61Å; M413-Q597 HydrophobicContact SD-CG 3.47Å; M413-Q597 WeakPolarHBondContact SD-CG 3.49Å; P595-Q597 PolarHBondContact O-N 3.36Å; P595-Q597 VanDerWaalsContact O-N 3.09Å
598	W	94.6	Very high	93.1	Very high	20 Å²	20	61.4 Å²	61.4	8%	0.076	30%	0.303	C	S	.	.			trans	-75.7	123.6	171.9	-165.8	90.5	0	0	0	109.8	Y410 V433 H452 L455 R582 F585 L586 L594 P595 V600	Y410-W598 HydrophobicContact CD2-CB 4.49Å; Y410-W598 HydrophobicContact CE2-CB 4.17Å; Y410-W598 AromaticContact CE2-CD1 3.92Å; Y410-W598 HydrophobicContact CE2-CG 4.49Å; V433-W598 HydrophobicContact CG1-CZ2 4.15Å; V433-W598 HydrophobicContact CG2-CZ2 4.28Å; H452-W598 AromaticContact CD2-CD1 3.99Å; H452-W598 AromaticContact CD2-NE1 3.67Å; H452-W598 AromaticContact CE1-CD1 3.71Å; H452-W598 AromaticContact ND1-CD1 3.98Å; H452-W598 AromaticContact NE2-CD1 3.68Å; H452-W598 AromaticContact NE2-CE2 3.95Å; H452-W598 AromaticContact NE2-NE1 3.63Å; H452-W598 VanDerWaalsContact O-CD1 3.29Å; H452-W598 PolarHBondContact O-NE1 3.28Å; L455-W598 HydrophobicContact CD1-CZ2 4.46Å; R582-W598 HydrophobicContact CB-CH2 3.69Å; R582-W598 HydrophobicContact CB-CZ2 4.19Å; R582-W598 HydrophobicContact CG-CH2 3.96Å; R582-W598 HydrophobicContact CG-CZ2 3.93Å; F585-W598 HydrophobicContact CD1-CH2 4.48Å; L586-W598 HydrophobicContact CD1-CZ3 4.07Å; L586-W598 HydrophobicContact CD2-CE3 4.29Å; L586-W598 HydrophobicContact CD2-CH2 4.46Å; L586-W598 HydrophobicContact CD2-CZ3 3.68Å; L586-W598 HydrophobicContact CG-CH2 4.42Å; L586-W598 HydrophobicContact CG-CZ3 3.85Å; L594-W598 HydrophobicContact CD1-CD2 4.21Å; L594-W598 HydrophobicContact CD1-CE3 3.69Å; L594-W598 HydrophobicContact CD1-CZ3 4.22Å; L594-W598 HydrophobicContact CD2-CB 4.21Å; L594-W598 HydrophobicContact CD2-CD2 3.92Å; L594-W598 HydrophobicContact CD2-CE3 4.24Å; L594-W598 HydrophobicContact CD2-CG 3.9Å; P595-W598 HydrophobicContact CB-CB 4.45Å; P595-W598 WeakPolarHBondContact O-CB 3.15Å; P595-W598 PolarHBondContact O-N 2.98Å; W598-V600 HydrophobicContact CZ3-CG2 4.43Å
599	S	95	Very high	92.8	Very high	52 Å²	52	68.6 Å²	68.6	36%	0.364	33%	0.327	S	S	.	.			trans	-141.3	158.8	-177	64.1	0	0	0	0	112	H452	H452-S599 PolarHBondContact CE1-N 2.91Å; H452-S599 PolarHBondContact NE2-N 3.35Å; H452-S599 PolarHBondContact NE2-O 3.24Å
600	V	96.8	Very high	92.3	Very high	21 Å²	21	75.9 Å²	75.9	13%	0.127	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-45.6	-178.6	177.7	0	0	0	0	110.9	S579 R582 Q583 L586 W598 H602	S579-V600 VanDerWaalsContact CB-CG1 3.48Å; S579-V600 WeakPolarHBondContact O-CG1 2.62Å; R582-V600 HydrophobicContact CB-CB 4.39Å; R582-V600 HydrophobicContact CB-CG1 4.09Å; R582-V600 HydrophobicContact CB-CG2 4.34Å; R582-V600 WeakPolarHBondContact CD-O 3.39Å; R582-V600 PolarHBondContact NH1-O 2.7Å; Q583-V600 HydrophobicContact CB-CG1 4.45Å; L586-V600 HydrophobicContact CD1-CG2 3.67Å; W598-V600 HydrophobicContact CZ3-CG2 4.43Å; V600-H602 VanDerWaalsContact C-N 3.34Å; V600-H602 PolarHBondContact O-N 2.71Å
601	D	94.3	Very high	91.7	Very high	98 Å²	98	72.7 Å²	72.7	52%	0.524	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	28.2	-174.2	-45.8	-54	0	0	0	113	S579 N603 H604	S579-D601 PolarHBondContact OG-OD1 3.31Å; D601-N603 PolarHBondContact O-N 3.02Å; D601-H604 HydrophobicContact CB-CB 4.3Å; D601-H604 VanDerWaalsContact O-CB 3.28Å; D601-H604 WeakPolarHBondContact O-CB 3.34Å; D601-H604 PolarHBondContact O-N 3.18Å; D601-H604 IonicContact OD1-ND1 3.9Å
602	H	91.3	Very high	91	Very high	25 Å²	25	73.1 Å²	73.1	12%	0.116	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136	-179.1	-178.6	69.7	0	0	0	112.2	Y411 H452 R582 V600 H604	Y411-H602 AromaticContact CD2-NE2 3.87Å; Y411-H602 AromaticContact CE1-NE2 3.7Å; Y411-H602 AromaticContact CE2-CE1 3.73Å; Y411-H602 AromaticContact CE2-NE2 2.62Å; Y411-H602 WeakPolarHBondContact CE2-NE2 3.28Å; Y411-H602 AromaticContact CZ-NE2 2.48Å; Y411-H602 PolarHBondContact OH-NE2 3.44Å; H452-H602 AromaticContact CD2-CD2 3.79Å; H452-H602 AromaticContact CD2-CG 3.9Å; H452-H602 WeakPolarHBondContact CE1-CB 3.4Å; H452-H602 AromaticContact CE1-CD2 3.68Å; H452-H602 AromaticContact CE1-CG 3.29Å; H452-H602 AromaticContact CE1-ND1 3.73Å; H452-H602 AromaticContact CG-CD2 3.36Å; H452-H602 AromaticContact CG-CG 3.77Å; H452-H602 AromaticContact ND1-CD2 3.34Å; H452-H602 PolarHBondContact ND1-CD2 2.92Å; H452-H602 VanDerWaalsContact ND1-CD2 3.34Å; H452-H602 AromaticContact ND1-CG 3.44Å; H452-H602 AromaticContact ND1-ND1 3.86Å; H452-H602 WeakPolarHBondContact NE2-CB 3.43Å; H452-H602 AromaticContact NE2-CD2 3.97Å; H452-H602 AromaticContact NE2-CG 3.61Å; R582-H602 PolarHBondContact NH1-O 2.69Å; V600-H602 VanDerWaalsContact C-N 3.34Å; V600-H602 PolarHBondContact O-N 2.71Å; H602-H604 PolarHBondContact O-CD2 3.28Å; H602-H604 PolarHBondContact O-N 3.06Å; H602-H604 VanDerWaalsContact O-N 3.13Å
603	N	88.8	Confident	89.9	Confident	44 Å²	44	69.6 Å²	69.6	24%	0.235	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	-2.5	-170.6	-72.6	-36.7	0	0	0	116.9	D601 Q605 K606 L607	D601-N603 PolarHBondContact O-N 3.02Å; N603-Q605 PolarHBondContact O-N 3.45Å; N603-K606 WeakPolarHBondContact O-CB 3.38Å; N603-K606 PolarHBondContact O-N 2.98Å; N603-L607 WeakPolarHBondContact O-CG 3.48Å; N603-L607 PolarHBondContact O-N 2.66Å
604	H	91.7	Very high	88.5	Confident	13 Å²	13	73.3 Å²	73.3	6%	0.06	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-48.4	-173.2	-69.7	-166.5	0	0	0	112.7	M575 E578 S579 D601 H602 K606 L607 L608	M575-H604 HydrophobicContact CE-CB 4.14Å; M575-H604 WeakPolarHBondContact CE-O 3.49Å; M575-H604 HydrophobicContact CG-CB 4.43Å; M575-H604 PolarHBondContact O-CE1 2.87Å; M575-H604 HydrophobicContact SD-CB 3.87Å; E578-H604 IonicContact OE1-CD2 2.7Å; E578-H604 IonicContact OE1-NE2 3.64Å; E578-H604 PolarHBondContact OE1-NE2 3.24Å; S579-H604 PolarHBondContact OG-CE1 3.48Å; D601-H604 HydrophobicContact CB-CB 4.3Å; D601-H604 VanDerWaalsContact O-CB 3.28Å; D601-H604 WeakPolarHBondContact O-CB 3.34Å; D601-H604 PolarHBondContact O-N 3.18Å; D601-H604 IonicContact OD1-ND1 3.9Å; H602-H604 PolarHBondContact O-CD2 3.28Å; H602-H604 PolarHBondContact O-N 3.06Å; H602-H604 VanDerWaalsContact O-N 3.13Å; H604-K606 PolarHBondContact O-N 3.44Å; H604-L607 PolarHBondContact O-N 3.07Å; H604-L608 WeakPolarHBondContact O-CG 3.45Å; H604-L608 PolarHBondContact O-N 3.33Å
605	Q	89.4	Confident	87.3	Confident	153 Å²	153	72.8 Å²	72.8	72%	0.715	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-26.7	174.6	-63.7	-177.7	2.5	0	0	113.5	N603 R609	N603-Q605 PolarHBondContact O-N 3.45Å; Q605-R609 WeakPolarHBondContact O-CB 3.45Å; Q605-R609 VanDerWaalsContact O-CG 3.25Å; Q605-R609 WeakPolarHBondContact O-CG 3.26Å; Q605-R609 PolarHBondContact O-N 2.92Å; Q605-R609 VanDerWaalsContact O-N 3.16Å; Q605-R609 PolarHBondContact O-NE 3.15Å
606	K	87.6	Confident	86.1	Confident	71 Å²	71	76.9 Å²	76.9	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-73.9	-43.1	176.6	-177.8	177	-173.2	131.1	0	110.8	E405 N603 H604 K610	E405-K606 WeakPolarHBondContact OE1-CD 3.19Å; E405-K606 WeakPolarHBondContact OE1-CE 3.28Å; E405-K606 WeakPolarHBondContact OE1-CG 3.48Å; E405-K606 IonicContact OE1-NZ 4Å; E405-K606 PolarHBondContact OE1-NZ 3.27Å; N603-K606 WeakPolarHBondContact O-CB 3.38Å; N603-K606 PolarHBondContact O-N 2.98Å; H604-K606 PolarHBondContact O-N 3.44Å; K606-K610 WeakPolarHBondContact O-CB 3.25Å; K606-K610 PolarHBondContact O-N 3.17Å
607	L	88.4	Confident	85.4	Confident	19 Å²	19	70.6 Å²	70.6	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-48.6	175.3	-70.5	170.2	0	0	0	111.2	E445 M446 L571 M575 N603 H604 R609 K610 F611	E445-L607 HydrophobicContact CB-CD2 4.48Å; M446-L607 HydrophobicContact CG-CD1 4.1Å; L571-L607 HydrophobicContact CD2-CB 4.39Å; M575-L607 HydrophobicContact CE-CB 3.47Å; M575-L607 VanDerWaalsContact CE-CB 3.47Å; M575-L607 HydrophobicContact CE-CD1 3.79Å; M575-L607 HydrophobicContact CE-CG 4.28Å; N603-L607 WeakPolarHBondContact O-CG 3.48Å; N603-L607 PolarHBondContact O-N 2.66Å; H604-L607 PolarHBondContact O-N 3.07Å; L607-R609 PolarHBondContact O-N 3.03Å; L607-K610 PolarHBondContact O-N 3.27Å; L607-K610 VanDerWaalsContact O-N 3.17Å; L607-F611 HydrophobicContact CD2-CD2 4Å; L607-F611 HydrophobicContact CD2-CE2 3.82Å; L607-F611 WeakPolarHBondContact O-CB 3.45Å; L607-F611 WeakPolarHBondContact O-CD2 3.25Å; L607-F611 PolarHBondContact O-N 3.03Å
608	L	90.3	Very high	84.5	Confident	42 Å²	42	74.9 Å²	74.9	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-58.8	-45.5	176.7	-68.7	171	0	0	0	112.2	L571 R572 M575 H604 K610 G612 E613	L571-L608 HydrophobicContact CD2-CD2 4.25Å; R572-L608 HydrophobicContact CG-CD2 4.18Å; M575-L608 HydrophobicContact CE-CD2 4.42Å; M575-L608 HydrophobicContact CE-CG 4.11Å; M575-L608 HydrophobicContact SD-CD1 4.43Å; M575-L608 HydrophobicContact SD-CD2 4.31Å; M575-L608 HydrophobicContact SD-CG 4.17Å; H604-L608 WeakPolarHBondContact O-CG 3.45Å; H604-L608 PolarHBondContact O-N 3.33Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.39Å; L608-G612 WeakPolarHBondContact O-CA 3.36Å; L608-G612 PolarHBondContact O-N 3.39Å; L608-E613 HydrophobicContact CD2-CG 4.49Å
609	R	88.3	Confident	83.5	Confident	166 Å²	166	76.9 Å²	76.9	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-62.9	-32.8	176.6	-78	-179.7	-66.9	151	3.5	113.5	E405 Q605 L607	E405-R609 IonicContact OE1-NH2 3.86Å; E405-R609 IonicContact OE2-CZ 3.36Å; E405-R609 IonicContact OE2-NH1 3.03Å; E405-R609 PolarHBondContact OE2-NH1 3.23Å; E405-R609 IonicContact OE2-NH2 2.75Å; E405-R609 PolarHBondContact OE2-NH2 2.79Å; Q605-R609 WeakPolarHBondContact O-CB 3.45Å; Q605-R609 VanDerWaalsContact O-CG 3.25Å; Q605-R609 WeakPolarHBondContact O-CG 3.26Å; Q605-R609 PolarHBondContact O-N 2.92Å; Q605-R609 VanDerWaalsContact O-N 3.16Å; Q605-R609 PolarHBondContact O-NE 3.15Å; L607-R609 PolarHBondContact O-N 3.03Å
610	K	85.7	Confident	81.8	Confident	153 Å²	153	79.8 Å²	79.8	67%	0.665	41%	0.408	S	S	*	.	H	α-helix	trans	-86.4	-34.6	-175.8	-176.6	173.2	176	-177.5	0	113.5	K606 L607 L608	K606-K610 WeakPolarHBondContact O-CB 3.25Å; K606-K610 PolarHBondContact O-N 3.17Å; L607-K610 PolarHBondContact O-N 3.27Å; L607-K610 VanDerWaalsContact O-N 3.17Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.39Å
611	F	83.9	Confident	81.1	Confident	60 Å²	60	82.8 Å²	82.8	26%	0.263	42%	0.422	S	S	.	.	H	α-helix	trans	-119.1	-8.3	-168.4	-63.8	-68.6	0	0	0	114.6	E445 L607 L615	E445-F611 HydrophobicContact CB-CD2 4.36Å; E445-F611 HydrophobicContact CB-CE2 3.73Å; E445-F611 HydrophobicContact CB-CZ 3.83Å; E445-F611 HydrophobicContact CG-CD1 4.25Å; E445-F611 HydrophobicContact CG-CD2 4.34Å; E445-F611 HydrophobicContact CG-CE1 3.65Å; E445-F611 HydrophobicContact CG-CE2 3.76Å; E445-F611 HydrophobicContact CG-CZ 3.37Å; L607-F611 HydrophobicContact CD2-CD2 4Å; L607-F611 HydrophobicContact CD2-CE2 3.82Å; L607-F611 WeakPolarHBondContact O-CB 3.45Å; L607-F611 WeakPolarHBondContact O-CD2 3.25Å; L607-F611 PolarHBondContact O-N 3.03Å; F611-L615 HydrophobicContact CB-CB 4.33Å; F611-L615 HydrophobicContact CB-CD1 4.13Å; F611-L615 HydrophobicContact CB-CD2 3.96Å; F611-L615 HydrophobicContact CB-CG 4.35Å; F611-L615 HydrophobicContact CD1-CD1 4.2Å; F611-L615 HydrophobicContact CD1-CD2 4.45Å; F611-L615 HydrophobicContact CG-CD1 4.5Å; F611-L615 HydrophobicContact CG-CD2 4.18Å
612	G	81.1	Confident	80.4	Confident	33 Å²	33	81.9 Å²	81.9	34%	0.34	42%	0.417	S	S	.	.			trans	76.2	-176.7	-173.8	0	0	0	0	0	112.9	L608	L608-G612 WeakPolarHBondContact O-CA 3.36Å; L608-G612 PolarHBondContact O-N 3.39Å
613	E	74.2	Confident	79.7	Confident	96 Å²	96	85.1 Å²	85.1	45%	0.449	43%	0.434	S	S	.	.	S	Bend	trans	-87.3	-34	-179.9	-47.8	-144.6	124.4	0	0	111.8	R572 L608 L615	R572-E613 IonicContact CZ-OE1 3.16Å; R572-E613 IonicContact NE-OE1 2.84Å; R572-E613 PolarHBondContact NE-OE1 2.75Å; R572-E613 IonicContact NE-OE2 3.59Å; R572-E613 IonicContact NH2-OE1 2.66Å; R572-E613 PolarHBondContact NH2-OE1 3.02Å; R572-E613 IonicContact NH2-OE2 3.77Å; L608-E613 HydrophobicContact CD2-CG 4.49Å; E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 3.16Å
614	D	67.4	Low	79.2	Confident	158 Å²	158	87.5 Å²	87.5	85%	0.845	45%	0.445	S	S	*	.			trans	-92	23.9	-173.6	-53.5	-57.8	0	0	0	114.1	P616	D614-P616 VanDerWaalsContact O-CD 3.26Å; D614-P616 WeakPolarHBondContact O-CD 3.37Å; D614-P616 VanDerWaalsContact O-N 3.12Å
615	L	68.4	Low	78.4	Confident	34 Å²	34	92.2 Å²	92.2	18%	0.178	47%	0.469	C	S	.	.			trans	-56.5	117.9	179.4	179.5	72.9	0	0	0	110.2	E445 F611 E613 I617	E445-L615 HydrophobicContact CG-CD2 4.42Å; F611-L615 HydrophobicContact CB-CB 4.33Å; F611-L615 HydrophobicContact CB-CD1 4.13Å; F611-L615 HydrophobicContact CB-CD2 3.96Å; F611-L615 HydrophobicContact CB-CG 4.35Å; F611-L615 HydrophobicContact CD1-CD1 4.2Å; F611-L615 HydrophobicContact CD1-CD2 4.45Å; F611-L615 HydrophobicContact CG-CD1 4.5Å; F611-L615 HydrophobicContact CG-CD2 4.18Å; E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 3.16Å; L615-I617 PolarHBondContact O-N 3.38Å
616	P	67.5	Low	77.7	Confident	109 Å²	109	88.1 Å²	88.1	71%	0.708	45%	0.453	S	S	*	.			trans	-67.8	109.2	177.6	26.4	-34.1	0	0	0	110.2	D614 Q618	D614-P616 VanDerWaalsContact O-CD 3.26Å; D614-P616 WeakPolarHBondContact O-CD 3.37Å; D614-P616 VanDerWaalsContact O-N 3.12Å; P616-Q618 PolarHBondContact O-N 2.96Å; P616-Q618 VanDerWaalsContact O-N 3.17Å
617	I	76.5	Confident	77	Confident	32 Å²	32	89.4 Å²	89.4	16%	0.164	46%	0.463	C	S	.	.			trans	-73.4	108.5	-178.7	-70.8	158.5	0	0	0	110.2	P443 L574 L615 L619	P443-I617 HydrophobicContact CG-CG1 4.12Å; P443-I617 HydrophobicContact CG-CG2 3.88Å; L574-I617 HydrophobicContact CD1-CD1 3.46Å; L574-I617 VanDerWaalsContact CD1-CD1 3.46Å; L574-I617 HydrophobicContact CD1-CG1 4.09Å; L574-I617 HydrophobicContact CD1-CG2 4.3Å; L574-I617 HydrophobicContact CG-CD1 4.06Å; L615-I617 PolarHBondContact O-N 3.38Å; I617-L619 HydrophobicContact CG2-CD2 3.9Å; I617-L619 HydrophobicContact CG2-CG 4.03Å
618	Q	73	Confident	76.1	Confident	173 Å²	173	94.8 Å²	94.8	81%	0.808	49%	0.491	S	S	*	.			trans	-88.9	119.7	162	-64.8	-171	-0.6	0	0	109.3	P616	P616-Q618 PolarHBondContact O-N 2.96Å; P616-Q618 VanDerWaalsContact O-N 3.17Å
619	L	73.9	Confident	74.9	Confident	62 Å²	62	99.2 Å²	99.2	33%	0.325	51%	0.514	S	S	.	.			trans	-84.5	145.3	176	-68.6	172.9	0	0	0	111	H441 V563 Q564 S567 I617	H441-L619 WeakPolarHBondContact O-CD2 3.37Å; V563-L619 HydrophobicContact CG1-CD2 3.74Å; Q564-L619 HydrophobicContact CB-CD1 4.27Å; Q564-L619 HydrophobicContact CG-CD1 3.55Å; S567-L619 WeakPolarHBondContact OG-CD2 3.37Å; I617-L619 HydrophobicContact CG2-CD2 3.9Å; I617-L619 HydrophobicContact CG2-CG 4.03Å
620	S	59.3	Low	73.7	Confident	114 Å²	114	93.1 Å²	93.1	80%	0.797	50%	0.504	S	S	*	.			trans	-99.2	0	179.9	69	0	0	0	0	113.7	K440 K447	K440-S620 PolarHBondContact O-OG 2.84Å; K447-S620 PolarHBondContact NZ-OG 2.66Å

Retrieved 620 of 620 residues in 446.2 ms (Link to these results)

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