X5DQN2_HUMAN Loading...

Succinate-semialdehyde dehydrogenase

Catalyzes one step in the degradation of the inhibitory neurotransmitter gamma-aminobutyric acid (GABA).

AlphaFold DB (P51649), UniProt , Accession X5DQN2, Species HUMAN (Homo sapiens, Human), Gene ALDH5A1, Length 535 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	39.9	Very low	40.8	Very low	246 Å²	246	150.6 Å²	150.6	100%	1.212	85%	0.854	S	S	*	*				0	132	0	-77.2	176.4	-172.1	0	0	107.9
2	A	40.8	Very low	41	Very low	110 Å²	110	146.8 Å²	146.8	91%	0.909	86%	0.855	S	S	*	*			trans	68.3	85.2	-178.3	0	0	0	0	0	117.3
3	T	33.9	Very low	41	Very low	128 Å²	128	154.8 Å²	154.8	79%	0.785	86%	0.862	S	S	*	*			trans	-95.9	129.2	163.9	-39	0	0	0	0	107.9
4	C	46.4	Very low	40.9	Very low	133 Å²	133	161.4 Å²	161.4	90%	0.899	87%	0.867	S	S	*	*			trans	-130.6	107.3	168.8	-101.6	0	0	0	0	110.2
5	I	39.1	Very low	41.3	Very low	134 Å²	134	162.8 Å²	162.8	69%	0.687	87%	0.873	S	S	*	*			trans	-90	133	172	-69.6	165.1	0	0	0	107.4	L7	I5-L7 HydrophobicContact CG2-CD1 4.31Å; I5-L7 HydrophobicContact CG2-CG 4.38Å
6	W	45.2	Very low	40.9	Very low	213 Å²	213	157.5 Å²	157.5	81%	0.807	87%	0.869	S	S	*	*			trans	-120.1	104.5	165.1	-110.5	72.7	0	0	0	109.8	R8	W6-R8 HydrophobicContact CE3-CG 4.05Å; W6-R8 HydrophobicContact CZ3-CG 3.98Å
7	L	37.3	Very low	41	Very low	147 Å²	147	155.5 Å²	155.5	77%	0.77	87%	0.868	S	S	*	*			trans	-82.4	129.9	163	-83.8	148	0	0	0	108.5	I5	I5-L7 HydrophobicContact CG2-CD1 4.31Å; I5-L7 HydrophobicContact CG2-CG 4.38Å
8	R	45.3	Very low	40.9	Very low	217 Å²	217	154.1 Å²	154.1	82%	0.819	87%	0.865	S	S	*	*			trans	-115.6	112	160.9	-95.7	-173.6	179.8	-132.4	-0.7	109.6	W6	W6-R8 HydrophobicContact CE3-CG 4.05Å; W6-R8 HydrophobicContact CZ3-CG 3.98Å
9	S	43.8	Very low	41	Very low	113 Å²	113	157.1 Å²	157.1	79%	0.79	87%	0.868	S	S	*	*			trans	-81.7	131.2	172.5	-42.9	0	0	0	0	110.4
10	C	36.3	Very low	41	Very low	143 Å²	143	155.2 Å²	155.2	97%	0.966	86%	0.863	S	S	*	*			trans	-80.1	112.1	164.4	-84.5	0	0	0	0	109.5
11	G	40.4	Very low	40.8	Very low	73 Å²	73	151.5 Å²	151.5	75%	0.753	86%	0.86	S	S	*	*			trans	-117.4	105.6	168.7	0	0	0	0	0	110.4
12	A	44	Very low	40.5	Very low	105 Å²	105	146 Å²	146	87%	0.868	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-84.9	122.5	169.5	0	0	0	0	0	109.8
13	R	41.1	Very low	40.4	Very low	250 Å²	250	152 Å²	152	94%	0.943	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-71.7	131.3	175.1	-71	-179.9	-179.6	-155.3	-1.2	110.6
14	R	38.5	Very low	40.4	Very low	248 Å²	248	153.9 Å²	153.9	94%	0.936	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-88.2	131.5	162	-76.5	-175.1	-178.2	-141.2	0.7	109.5
15	L	47.2	Very low	39.9	Very low	182 Å²	182	159.2 Å²	159.2	95%	0.953	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-79.7	132.5	163.7	-82.2	153.2	0	0	0	108.9
16	G	34.8	Very low	39.8	Very low	78 Å²	78	158.4 Å²	158.4	80%	0.804	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-91.8	145.3	176.4	0	0	0	0	0	112.2
17	S	43.6	Very low	39.5	Very low	123 Å²	123	159.9 Å²	159.9	86%	0.86	86%	0.858	S	S	*	*			trans	-138.3	130.5	152.4	58.5	0	0	0	0	108.6
18	T	38.2	Very low	39.6	Very low	131 Å²	131	157.9 Å²	157.9	80%	0.804	86%	0.863	S	S	*	*			trans	-92.2	134.7	-176	41.3	0	0	0	0	110.9
19	F	42.3	Very low	39.2	Very low	210 Å²	210	151.9 Å²	151.9	92%	0.921	87%	0.868	S	S	*	*			trans	-145.4	140.2	150.9	-95.6	-79.4	0	0	0	109.5
20	P	42.5	Very low	38.8	Very low	119 Å²	119	149.8 Å²	149.8	77%	0.773	87%	0.865	S	S	*	*			trans	-97.6	136.7	-170.2	35.2	-28.4	0	0	0	113.7
21	G	35.3	Very low	39	Very low	78 Å²	78	150.5 Å²	150.5	80%	0.804	86%	0.858	S	S	*	*			trans	59.4	111.1	134.5	0	0	0	0	0	120.9
22	C	35.4	Very low	39	Very low	132 Å²	132	153 Å²	153	89%	0.892	86%	0.859	S	S	*	*			trans	-154.2	122.8	130.5	-136.6	0	0	0	0	114
23	R	38	Very low	38.8	Very low	235 Å²	235	153.3 Å²	153.3	89%	0.887	85%	0.852	S	S	*	*			trans	-8.3	125.7	165.9	-63	175.9	-175.3	-147.8	-0	122.2
24	L	33.1	Very low	38.7	Very low	167 Å²	167	145.5 Å²	145.5	87%	0.874	84%	0.84	S	S	*	*			trans	12.8	127.7	130.5	-68.8	159.2	0	0	0	121
25	R	36.9	Very low	38.5	Very low	246 Å²	246	139.3 Å²	139.3	93%	0.928	84%	0.835	S	S	*	*				-174.3	143.9	112.4	-102.5	-178.6	-177.6	-151.6	1	112.5
26	P	35.8	Very low	38	Very low	116 Å²	116	134 Å²	134	75%	0.753	83%	0.825	S	S	*	*			trans	-105.1	149.1	-177.6	38.1	-30	0	0	0	113.9
27	R	39.1	Very low	38	Very low	244 Å²	244	136.7 Å²	136.7	92%	0.921	83%	0.828	S	S	*	*			trans	-162.6	111.7	158.2	-92.2	-174.4	179.2	-173.3	-2.9	107
28	A	40.4	Very low	37.4	Very low	106 Å²	106	134.9 Å²	134.9	88%	0.876	82%	0.821	S	S	*	*				72.6	116.6	78.1	0	0	0	0	0	114.4
29	G	36.7	Very low	37.3	Very low	90 Å²	90	134.6 Å²	134.6	93%	0.928	82%	0.821	S	S	*	*			trans	133.7	113.1	152.9	0	0	0	0	0	117.2
30	G	35.9	Very low	37	Very low	70 Å²	70	127 Å²	127	72%	0.722	80%	0.802	S	S	*	*			trans	134.6	75.3	163.9	0	0	0	0	0	113.8
31	L	39.1	Very low	36.6	Very low	158 Å²	158	128 Å²	128	83%	0.827	81%	0.808	S	S	*	*				55	96.3	95.3	-71.5	163	0	0	0	113.2
32	V	41.7	Very low	36.7	Very low	125 Å²	125	128.6 Å²	128.6	76%	0.758	81%	0.806	S	S	*	*				84.2	147.3	90.1	161.9	0	0	0	0	111.8
33	P	38.5	Very low	36.6	Very low	112 Å²	112	129.4 Å²	129.4	73%	0.727	80%	0.797	S	S	*	*			cis	-140.7	171.7	-8.8	32.1	-10.7	0	0	0	118
34	A	39.3	Very low	36.4	Very low	85 Å²	85	124.3 Å²	124.3	70%	0.702	79%	0.786	S	S	*	*			trans	49.9	121.1	131.1	0	0	0	0	0	123.7
35	S	34.6	Very low	36.9	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	77%	0.774	S	S	*	*			trans	24.4	110.6	134.4	59.6	0	0	0	0	119.6
36	G	37.9	Very low	36.8	Very low	71 Å²	71	118.7 Å²	118.7	73%	0.732	77%	0.772	S	S	*	*			trans	-113.6	152.4	154.4	0	0	0	0	0	111
37	P	33.6	Very low	37.3	Very low	134 Å²	134	116.2 Å²	116.2	87%	0.87	75%	0.748	S	S	*	*			trans	-79.6	166.9	-174.3	33.8	-34.3	0	0	0	113.5
38	A	31.7	Very low	37.3	Very low	86 Å²	86	107.5 Å²	107.5	71%	0.711	73%	0.728	S	S	*	*			trans	-49.2	159.3	-175.8	0	0	0	0	0	116.6	G40	A38-G40 PolarHBondContact O-N 3.15Å
39	P	35.1	Very low	37.8	Very low	125 Å²	125	104.7 Å²	104.7	81%	0.812	71%	0.71	S	S	*	*			trans	-74.9	110.8	150.6	26.6	-16	0	0	0	108
40	G	35.8	Very low	38.8	Very low	51 Å²	51	106.8 Å²	106.8	53%	0.526	69%	0.69	S	S	.	*			trans	-58.6	179.8	157	0	0	0	0	0	111.2	A38 A42	A38-G40 PolarHBondContact O-N 3.15Å; G40-A42 PolarHBondContact O-N 3.34Å
41	P	35.2	Very low	40.1	Very low	138 Å²	138	104 Å²	104	90%	0.896	66%	0.658	S	S	*	*	S	Bend	trans	-59.3	106.2	-173.1	-2.9	13.9	0	0	0	109.6	Q43	P41-Q43 PolarHBondContact O-N 2.98Å; P41-Q43 VanDerWaalsContact O-N 3.09Å
42	A	36.7	Very low	41	Very low	91 Å²	91	100.1 Å²	100.1	75%	0.752	65%	0.649	S	S	*	*			trans	-74.9	103.8	-177.8	0	0	0	0	0	108.8	G40	G40-A42 PolarHBondContact O-N 3.34Å
43	Q	33	Very low	42.3	Very low	150 Å²	150	97.9 Å²	97.9	70%	0.701	65%	0.651	S	S	*	*			trans	44.7	84.8	158.9	-66.1	-179.2	-7.5	0	0	115.7	P41 R45	P41-Q43 PolarHBondContact O-N 2.98Å; P41-Q43 VanDerWaalsContact O-N 3.09Å; Q43-R45 HydrophobicContact CB-CG 4.37Å; Q43-R45 PolarHBondContact O-N 3.39Å
44	L	34.7	Very low	44.2	Very low	127 Å²	127	93.6 Å²	93.6	67%	0.665	62%	0.622	S	S	*	*			trans	-55.8	85.9	141.4	-88.4	142.9	0	0	0	107.4	C46 Y47 A56	L44-C46 PolarHBondContact O-N 3.43Å; L44-Y47 HydrophobicContact CD2-CE2 3.96Å; L44-A56 HydrophobicContact CD2-CB 4.29Å
45	R	42.4	Very low	46.2	Very low	165 Å²	165	91.8 Å²	91.8	62%	0.623	60%	0.604	S	S	*	*			trans	-59.7	127.4	169.2	-76.9	-176.5	172.8	-160.8	-1.4	106.4	Q43 Y47	Q43-R45 HydrophobicContact CB-CG 4.37Å; Q43-R45 PolarHBondContact O-N 3.39Å; R45-Y47 PolarHBondContact O-N 2.66Å
46	C	35.2	Very low	48.2	Very low	131 Å²	131	89.2 Å²	89.2	89%	0.885	59%	0.59	S	S	*	*			trans	-45	104.8	177.8	-72.2	0	0	0	0	110	L44 A48	L44-C46 PolarHBondContact O-N 3.43Å; C46-A48 PolarHBondContact O-N 3.1Å; C46-A48 VanDerWaalsContact O-N 3.12Å
47	Y	47	Very low	50.7	Low	63 Å²	63	87.3 Å²	87.3	25%	0.247	57%	0.568	C	S	.	*			trans	-65.5	111.3	169.5	-67.8	-72.4	0	0	0	106.6	L44 R45 L59 L87	L44-Y47 HydrophobicContact CD2-CE2 3.96Å; R45-Y47 PolarHBondContact O-N 2.66Å; Y47-L59 HydrophobicContact CD1-CD2 3.59Å; Y47-L59 HydrophobicContact CD2-CD2 4.26Å; Y47-L59 HydrophobicContact CE1-CD2 3.38Å; Y47-L59 HydrophobicContact CE1-CG 3.99Å; Y47-L59 HydrophobicContact CE2-CD2 4.08Å; Y47-L59 HydrophobicContact CG-CD2 4.03Å; Y47-L87 WeakPolarHBondContact CD1-O 3.33Å; Y47-L87 WeakPolarHBondContact CE1-O 3.4Å
48	A	39.6	Very low	53.7	Low	62 Å²	62	81 Å²	81	51%	0.512	53%	0.527	S	S	.	.			trans	-79.4	131.4	176	0	0	0	0	0	109	C46	C46-A48 PolarHBondContact O-N 3.1Å; C46-A48 VanDerWaalsContact O-N 3.12Å
49	G	50.7	Low	56.8	Low	47 Å²	47	77.3 Å²	77.3	49%	0.485	50%	0.495	S	S	.	.	S	Bend	trans	97.4	-161.1	168.7	0	0	0	0	0	115.2	L51 A52	G49-L51 PolarHBondContact O-N 3.34Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 3.33Å
50	R	57.9	Low	59.8	Low	134 Å²	134	74.7 Å²	74.7	51%	0.506	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	0.2	-164.8	-57.5	-174.2	-170.1	-160.5	9.6	115.2	A52 F374 E375	R50-A52 VanDerWaalsContact C-N 3.3Å; R50-F374 HydrophobicContact CB-CD2 4.44Å; R50-E375 IonicContact NH2-OE1 3.57Å; R50-E375 PolarHBondContact NH2-OE1 2.83Å
51	L	62.5	Low	62.7	Low	10 Å²	10	74.1 Å²	74.1	5%	0.052	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.1	167	-65.6	-169.4	0	0	0	113.1	G49 G53 L54 L59 L87 A144	G49-L51 PolarHBondContact O-N 3.34Å; L51-G53 PolarHBondContact O-N 2.93Å; L51-G53 VanDerWaalsContact O-N 3.16Å; L51-L54 HydrophobicContact CB-CD1 4.32Å; L51-L54 HydrophobicContact CD2-CD1 3.65Å; L51-L54 HydrophobicContact CG-CD1 4.47Å; L51-L54 PolarHBondContact O-N 2.89Å; L51-L59 HydrophobicContact CD1-CD1 4.46Å; L51-L59 HydrophobicContact CD1-CD2 3.82Å; L51-L87 HydrophobicContact CD1-CB 4.23Å; L51-L87 HydrophobicContact CD1-CD2 3.66Å; L51-L87 HydrophobicContact CD1-CG 4.34Å; L51-L87 HydrophobicContact CG-CD2 4.16Å; L51-A144 HydrophobicContact CD1-CB 4.25Å; L51-A144 HydrophobicContact CD2-CB 3.4Å; L51-A144 VanDerWaalsContact CD2-CB 3.4Å; L51-A144 HydrophobicContact CG-CB 4.08Å
52	A	57.3	Low	65.7	Low	77 Å²	77	70 Å²	70	64%	0.636	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	118.2	171.4	0	0	0	0	0	110	G49 R50	G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 3.33Å; R50-A52 VanDerWaalsContact C-N 3.3Å
53	G	69.6	Low	68.7	Low	79 Å²	79	65.8 Å²	65.8	81%	0.814	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	110	-9	-179.9	0	0	0	0	0	115.5	L51	L51-G53 PolarHBondContact O-N 2.93Å; L51-G53 VanDerWaalsContact O-N 3.16Å
54	L	78.3	Confident	71.8	Confident	22 Å²	22	59.1 Å²	59.1	12%	0.115	36%	0.359	C	S	.	.	S	Bend	trans	-61.8	151.3	169.2	-72.5	-177.5	0	0	0	111.4	L51 A56 D137 R140 I141	L51-L54 HydrophobicContact CB-CD1 4.32Å; L51-L54 HydrophobicContact CD2-CD1 3.65Å; L51-L54 HydrophobicContact CG-CD1 4.47Å; L51-L54 PolarHBondContact O-N 2.89Å; L54-A56 PolarHBondContact O-N 3.43Å; L54-D137 HydrophobicContact CD2-CB 3.73Å; L54-D137 WeakPolarHBondContact CD2-OD1 3.32Å; L54-R140 HydrophobicContact CD2-CB 3.82Å; L54-R140 HydrophobicContact CD2-CG 4.48Å; L54-I141 HydrophobicContact CD1-CD1 4.33Å; L54-I141 HydrophobicContact CD1-CG1 3.62Å
55	S	80.7	Confident	74.9	Confident	47 Å²	47	53.8 Å²	53.8	33%	0.329	33%	0.332	S	S	.	.			trans	-52.1	114.4	165.8	178	0	0	0	0	110.4	A57 L58 D137	S55-A57 PolarHBondContact O-N 3Å; S55-L58 PolarHBondContact O-N 3.03Å; S55-D137 WeakPolarHBondContact CB-OD2 3.48Å; S55-D137 PolarHBondContact N-OD2 3.49Å; S55-D137 VanDerWaalsContact N-OD2 3.09Å
56	A	77	Confident	77.6	Confident	64 Å²	64	47 Å²	47	53%	0.529	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.9	-177.2	0	0	0	0	0	113.2	L44 L54	L44-A56 HydrophobicContact CD2-CB 4.29Å; L54-A56 PolarHBondContact O-N 3.43Å
57	A	91.3	Very high	80.6	Confident	31 Å²	31	42.2 Å²	42.2	26%	0.256	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-28	177.8	0	0	0	0	0	113.7	S55 R60 E242	S55-A57 PolarHBondContact O-N 3Å; A57-R60 WeakPolarHBondContact O-CG 3.3Å; A57-R60 PolarHBondContact O-NE 3.39Å; A57-E242 HydrophobicContact CB-CG 4.39Å; A57-E242 WeakPolarHBondContact O-CG 3.3Å
58	L	96.3	Very high	83	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-38.7	-176.7	-70	179.1	0	0	0	112.5	S55 R60 N134 D137 I141 A239 E242 L243	S55-L58 PolarHBondContact O-N 3.03Å; L58-R60 PolarHBondContact O-N 2.91Å; L58-N134 HydrophobicContact CD1-CB 3.99Å; L58-D137 HydrophobicContact CD1-CB 3.69Å; L58-I141 HydrophobicContact CB-CD1 4.03Å; L58-A239 HydrophobicContact CB-CB 4.49Å; L58-A239 WeakPolarHBondContact O-CA 3.44Å; L58-A239 WeakPolarHBondContact O-CB 3.29Å; L58-E242 HydrophobicContact CD2-CG 4.2Å; L58-L243 HydrophobicContact CD2-CD1 4.34Å; L58-L243 HydrophobicContact CD2-CD2 3.66Å; L58-L243 HydrophobicContact CD2-CG 3.87Å
59	L	96	Very high	85.8	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-83.7	100.7	179.6	-171.6	63.7	0	0	0	110	Y47 L51 F235	Y47-L59 HydrophobicContact CD1-CD2 3.59Å; Y47-L59 HydrophobicContact CD2-CD2 4.26Å; Y47-L59 HydrophobicContact CE1-CD2 3.38Å; Y47-L59 HydrophobicContact CE1-CG 3.99Å; Y47-L59 HydrophobicContact CE2-CD2 4.08Å; Y47-L59 HydrophobicContact CG-CD2 4.03Å; L51-L59 HydrophobicContact CD1-CD1 4.46Å; L51-L59 HydrophobicContact CD1-CD2 3.82Å; L59-F235 HydrophobicContact CD1-CB 3.98Å; L59-F235 HydrophobicContact CD1-CD1 3.59Å; L59-F235 HydrophobicContact CD1-CD2 4.19Å; L59-F235 HydrophobicContact CD1-CE1 4.05Å; L59-F235 HydrophobicContact CD1-CG 3.67Å
60	R	97.6	Very high	88.1	Confident	70 Å²	70	48.6 Å²	48.6	26%	0.264	29%	0.287	S	S	.	.			trans	-114.6	148.4	-173.3	-67.4	-74.6	-169.1	168.1	3.5	111.4	A57 L58 W69 F235 L238 E242	A57-R60 WeakPolarHBondContact O-CG 3.3Å; A57-R60 PolarHBondContact O-NE 3.39Å; L58-R60 PolarHBondContact O-N 2.91Å; R60-W69 HydrophobicContact CB-CE3 4.28Å; R60-W69 HydrophobicContact CB-CH2 3.87Å; R60-W69 HydrophobicContact CB-CZ3 3.7Å; R60-W69 HydrophobicContact CG-CE3 4.34Å; R60-W69 HydrophobicContact CG-CH2 3.52Å; R60-W69 HydrophobicContact CG-CZ2 3.78Å; R60-W69 HydrophobicContact CG-CZ3 3.83Å; R60-F235 VanDerWaalsContact O-CD1 3.27Å; R60-F235 WeakPolarHBondContact O-CD1 3.42Å; R60-L238 HydrophobicContact CB-CB 3.85Å; R60-L238 HydrophobicContact CB-CD1 4.34Å; R60-L238 WeakPolarHBondContact O-CD1 3.28Å; R60-E242 IonicContact CZ-OE2 3.79Å; R60-E242 IonicContact NE-OE2 3.26Å; R60-E242 PolarHBondContact NE-OE2 2.93Å; R60-E242 IonicContact NH2-OE1 2.74Å; R60-E242 IonicContact NH2-OE2 2.65Å; R60-E242 PolarHBondContact NH2-OE2 3.26Å
61	T	98.1	Very high	90.1	Very high	39 Å²	39	46.6 Å²	46.6	24%	0.239	29%	0.291	C	S	.	.			trans	-114	-21	179.3	49.6	0	0	0	0	113.5	M89 V90 A91 F235	T61-M89 VanDerWaalsContact CB-O 3.27Å; T61-M89 WeakPolarHBondContact CB-O 3.39Å; T61-M89 WeakPolarHBondContact CG2-O 3.28Å; T61-V90 CarbonylContact O-C 3.48Å; T61-V90 WeakPolarHBondContact O-CA 3.4Å; T61-A91 PolarHBondContact O-N 3.41Å; T61-F235 HydrophobicContact CG2-CE1 4.49Å
62	D	98.6	Very high	91.8	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	30%	0.295	S	S	.	.	S	Bend	trans	-84.7	156	-179.9	-67.9	-32.3	0	0	0	111.6	W69 P71 L238	D62-W69 HydrophobicContact CB-CB 4.15Å; D62-W69 HydrophobicContact CB-CE3 4.35Å; D62-P71 WeakPolarHBondContact OD1-CA 3.25Å; D62-P71 WeakPolarHBondContact OD1-CB 3.37Å; D62-L238 WeakPolarHBondContact O-CD2 3.42Å
63	S	98.8	Very high	93.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	155.8	168.2	70.7	0	0	0	0	110.7	W69 L70 C93 V256	S63-W69 CarbonylContact O-C 3.52Å; S63-W69 WeakPolarHBondContact O-CA 3.3Å; S63-L70 PolarHBondContact N-O 3.4Å; S63-L70 PolarHBondContact O-N 3.06Å; S63-L70 PolarHBondContact OG-O 3.27Å; S63-C93 VanDerWaalsContact CB-SG 3.56Å; S63-V256 WeakPolarHBondContact CB-O 3.48Å
64	F	98.9	Very high	95.1	Very high	11 Å²	11	46.7 Å²	46.7	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.5	176.5	-172	-103.7	0	0	0	110	R68 W69 A241 Y254 N255 V256	F64-R68 WeakPolarHBondContact CA-O 3.24Å; F64-W69 HydrophobicContact CB-CE3 4.06Å; F64-W69 HydrophobicContact CB-CH2 4.26Å; F64-W69 HydrophobicContact CB-CZ3 3.81Å; F64-W69 AromaticContact CD2-CD2 3.79Å; F64-W69 HydrophobicContact CD2-CD2 3.79Å; F64-W69 AromaticContact CD2-CE2 3.72Å; F64-W69 AromaticContact CD2-CE3 3.95Å; F64-W69 HydrophobicContact CD2-CE3 3.95Å; F64-W69 HydrophobicContact CD2-CG 4.4Å; F64-W69 HydrophobicContact CD2-CH2 4.01Å; F64-W69 AromaticContact CD2-CZ2 3.84Å; F64-W69 HydrophobicContact CD2-CZ2 3.84Å; F64-W69 HydrophobicContact CD2-CZ3 4.07Å; F64-W69 HydrophobicContact CE2-CZ2 4.26Å; F64-W69 HydrophobicContact CG-CH2 4.41Å; F64-W69 HydrophobicContact CG-CZ3 4.35Å; F64-A241 HydrophobicContact CB-CB 3.77Å; F64-A241 HydrophobicContact CD1-CB 3.73Å; F64-A241 HydrophobicContact CD2-CB 4.27Å; F64-A241 HydrophobicContact CE1-CB 4.33Å; F64-A241 HydrophobicContact CG-CB 3.67Å; F64-Y254 VanDerWaalsContact CD1-O 3.3Å; F64-Y254 WeakPolarHBondContact CD1-O 3.47Å; F64-Y254 WeakPolarHBondContact CE1-O 3.08Å; F64-N255 CarbonylContact O-C 3.52Å; F64-N255 WeakPolarHBondContact O-CA 3.33Å; F64-N255 WeakPolarHBondContact O-CB 3.45Å; F64-V256 HydrophobicContact CB-CB 4.41Å; F64-V256 PolarHBondContact N-O 3.06Å; F64-V256 PolarHBondContact O-N 3.3Å
65	V	98.9	Very high	96	Very high	15 Å²	15	49.1 Å²	49.1	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.2	-174.3	179	0	0	0	0	110.1	G67 R68 L70 A101 A104 I257	V65-G67 PolarHBondContact O-N 3.37Å; V65-R68 PolarHBondContact N-O 3.5Å; V65-R68 PolarHBondContact O-N 2.81Å; V65-L70 HydrophobicContact CB-CD1 3.91Å; V65-L70 HydrophobicContact CG1-CD1 4.47Å; V65-A101 HydrophobicContact CG1-CB 3.91Å; V65-A101 HydrophobicContact CG2-CB 3.95Å; V65-A104 HydrophobicContact CG1-CB 4.18Å; V65-I257 HydrophobicContact CG2-CG2 3.93Å
66	G	98.4	Very high	96.9	Very high	23 Å²	23	47.5 Å²	47.5	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	32.7	177.7	0	0	0	0	0	113	R68 S251 N255	G66-R68 VanDerWaalsContact C-N 3.33Å; G66-R68 PolarHBondContact O-N 3.06Å; G66-S251 WeakPolarHBondContact O-CB 3.07Å; G66-N255 PolarHBondContact N-OD1 3.32Å
67	G	98.4	Very high	97.9	Very high	29 Å²	29	48 Å²	48	30%	0.299	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	17.5	-177.6	0	0	0	0	0	114.9	V65	V65-G67 PolarHBondContact O-N 3.37Å
68	R	98.7	Very high	98.2	Very high	178 Å²	178	46.8 Å²	46.8	67%	0.672	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.7	-178.5	-61	179.5	-176.1	-88.4	-1.7	111	F64 V65 G66 L70	F64-R68 WeakPolarHBondContact CA-O 3.24Å; V65-R68 PolarHBondContact N-O 3.5Å; V65-R68 PolarHBondContact O-N 2.81Å; G66-R68 VanDerWaalsContact C-N 3.33Å; G66-R68 PolarHBondContact O-N 3.06Å; R68-L70 HydrophobicContact CB-CD2 4.13Å; R68-L70 HydrophobicContact CB-CG 4.43Å
69	W	98.7	Very high	98.3	Very high	54 Å²	54	52.1 Å²	52.1	21%	0.205	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.9	169.1	-62.6	108	0	0	0	109.4	R60 D62 S63 F64 L238 A241 E242	R60-W69 HydrophobicContact CB-CE3 4.28Å; R60-W69 HydrophobicContact CB-CH2 3.87Å; R60-W69 HydrophobicContact CB-CZ3 3.7Å; R60-W69 HydrophobicContact CG-CE3 4.34Å; R60-W69 HydrophobicContact CG-CH2 3.52Å; R60-W69 HydrophobicContact CG-CZ2 3.78Å; R60-W69 HydrophobicContact CG-CZ3 3.83Å; D62-W69 HydrophobicContact CB-CB 4.15Å; D62-W69 HydrophobicContact CB-CE3 4.35Å; S63-W69 CarbonylContact O-C 3.52Å; S63-W69 WeakPolarHBondContact O-CA 3.3Å; F64-W69 HydrophobicContact CB-CE3 4.06Å; F64-W69 HydrophobicContact CB-CH2 4.26Å; F64-W69 HydrophobicContact CB-CZ3 3.81Å; F64-W69 AromaticContact CD2-CD2 3.79Å; F64-W69 HydrophobicContact CD2-CD2 3.79Å; F64-W69 AromaticContact CD2-CE2 3.72Å; F64-W69 AromaticContact CD2-CE3 3.95Å; F64-W69 HydrophobicContact CD2-CE3 3.95Å; F64-W69 HydrophobicContact CD2-CG 4.4Å; F64-W69 HydrophobicContact CD2-CH2 4.01Å; F64-W69 AromaticContact CD2-CZ2 3.84Å; F64-W69 HydrophobicContact CD2-CZ2 3.84Å; F64-W69 HydrophobicContact CD2-CZ3 4.07Å; F64-W69 HydrophobicContact CE2-CZ2 4.26Å; F64-W69 HydrophobicContact CG-CH2 4.41Å; F64-W69 HydrophobicContact CG-CZ3 4.35Å; W69-L238 HydrophobicContact CH2-CB 4.36Å; W69-L238 WeakPolarHBondContact CH2-O 3.34Å; W69-L238 HydrophobicContact CZ3-CB 4.19Å; W69-L238 HydrophobicContact CZ3-CD2 4.09Å; W69-A241 HydrophobicContact CH2-CB 3.82Å; W69-A241 HydrophobicContact CZ2-CB 4.47Å; W69-A241 HydrophobicContact CZ3-CB 4.47Å; W69-E242 HydrophobicContact CH2-CB 4.42Å; W69-E242 HydrophobicContact CZ2-CB 3.95Å; W69-E242 WeakPolarHBondContact CZ2-OE2 3.34Å
70	L	98.7	Very high	98.4	Very high	74 Å²	74	52.2 Å²	52.2	39%	0.387	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.5	-176.9	-57.2	-177.7	0	0	0	110.7	S63 V65 R68	S63-L70 PolarHBondContact N-O 3.4Å; S63-L70 PolarHBondContact O-N 3.06Å; S63-L70 PolarHBondContact OG-O 3.27Å; V65-L70 HydrophobicContact CB-CD1 3.91Å; V65-L70 HydrophobicContact CG1-CD1 4.47Å; R68-L70 HydrophobicContact CB-CD2 4.13Å; R68-L70 HydrophobicContact CB-CG 4.43Å
71	P	98.4	Very high	98.4	Very high	92 Å²	92	49.4 Å²	49.4	60%	0.597	29%	0.292	S	S	*	.			trans	-70	159.7	168.6	31	-34.9	0	0	0	110.6	D62	D62-P71 WeakPolarHBondContact OD1-CA 3.25Å; D62-P71 WeakPolarHBondContact OD1-CB 3.37Å
72	A	98.3	Very high	98.4	Very high	17 Å²	17	47.7 Å²	47.7	14%	0.14	28%	0.282	C	S	.	.			trans	-104.2	169.1	168.7	0	0	0	0	0	110.8	A74 A91	A72-A74 PolarHBondContact O-N 3.03Å; A72-A91 HydrophobicContact CB-CB 3.93Å
73	A	97.8	Very high	98.2	Very high	102 Å²	102	47.4 Å²	47.4	84%	0.843	28%	0.284	S	S	*	.	S	Bend	trans	-64.3	-29.1	177.7	0	0	0	0	0	113.1
74	A	98.4	Very high	98.1	Very high	49 Å²	49	49.3 Å²	49.3	41%	0.405	30%	0.304	S	S	.	.	S	Bend	trans	-120.6	165.5	175.7	0	0	0	0	0	110.5	A72 D92	A72-A74 PolarHBondContact O-N 3.03Å; A74-D92 HydrophobicContact CB-CB 4.11Å; A74-D92 PolarHBondContact O-N 3.26Å
75	T	98.7	Very high	97.9	Very high	74 Å²	74	50.4 Å²	50.4	45%	0.454	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.2	173.2	53.5	0	0	0	0	109.9	M89 V90	T75-M89 WeakPolarHBondContact OG1-CE 3.42Å; T75-V90 CarbonylContact C-O 3.2Å; T75-V90 WeakPolarHBondContact CA-O 3.37Å; T75-V90 VanDerWaalsContact CB-O 3.27Å; T75-V90 WeakPolarHBondContact CB-O 3.42Å
76	F	98.7	Very high	97.8	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.057	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.8	172.7	67.8	-89.5	0	0	0	111	V78 M89 V90 A91 D92 E231 P234 P258	F76-V78 HydrophobicContact CD2-CG2 4.22Å; F76-V78 HydrophobicContact CE2-CG2 3.74Å; F76-M89 WeakPolarHBondContact O-CA 3.12Å; F76-V90 HydrophobicContact CD1-CB 4.5Å; F76-V90 HydrophobicContact CE1-CB 3.98Å; F76-V90 HydrophobicContact CE1-CG1 3.97Å; F76-V90 HydrophobicContact CE2-CB 4.2Å; F76-V90 HydrophobicContact CZ-CB 3.82Å; F76-V90 HydrophobicContact CZ-CG1 3.87Å; F76-V90 PolarHBondContact N-O 2.94Å; F76-V90 PolarHBondContact O-N 3.28Å; F76-A91 WeakPolarHBondContact CE1-O 3.17Å; F76-D92 HydrophobicContact CD1-CB 3.84Å; F76-E231 HydrophobicContact CE2-CB 4.16Å; F76-E231 VanDerWaalsContact CE2-O 3.3Å; F76-E231 WeakPolarHBondContact CE2-O 3.34Å; F76-E231 HydrophobicContact CZ-CB 4.48Å; F76-P234 HydrophobicContact CE2-CG 4.22Å; F76-P234 HydrophobicContact CZ-CB 4.39Å; F76-P234 HydrophobicContact CZ-CG 4.11Å; F76-P258 HydrophobicContact CE1-CB 4.09Å; F76-P258 HydrophobicContact CZ-CB 4.16Å
77	P	98.2	Very high	97.6	Very high	75 Å²	75	52.1 Å²	52.1	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.5	179	31.5	-33.8	0	0	0	110.9	M89	P77-M89 HydrophobicContact CB-SD 3.82Å
78	V	98.3	Very high	97.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.2	164.3	-174.7	0	0	0	0	108	F76 L87 G88 V90 P234 F235	F76-V78 HydrophobicContact CD2-CG2 4.22Å; F76-V78 HydrophobicContact CE2-CG2 3.74Å; V78-L87 HydrophobicContact CG1-CD1 4.23Å; V78-L87 PolarHBondContact O-N 3.11Å; V78-G88 PolarHBondContact N-O 3.41Å; V78-V90 HydrophobicContact CG2-CB 4.42Å; V78-V90 HydrophobicContact CG2-CG2 3.69Å; V78-P234 HydrophobicContact CG2-CG 3.6Å; V78-F235 HydrophobicContact CB-CE2 3.58Å; V78-F235 HydrophobicContact CB-CZ 3.9Å; V78-F235 HydrophobicContact CG1-CD2 4.14Å; V78-F235 HydrophobicContact CG1-CE2 3.53Å; V78-F235 HydrophobicContact CG1-CZ 4.35Å; V78-F235 HydrophobicContact CG2-CE2 4.01Å; V78-F235 HydrophobicContact CG2-CZ 4.07Å
79	Q	97.5	Very high	97.4	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.9	-177	-64.2	176.3	17.9	0	0	110.2	P81 A85	Q79-P81 WeakPolarHBondContact O-CD 3.4Å; Q79-A85 CarbonylContact C-O 3.54Å; Q79-A85 VanDerWaalsContact CA-O 3.29Å; Q79-A85 WeakPolarHBondContact CA-O 3.38Å
80	D	97.6	Very high	97.4	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.059	29%	0.294	C	S	.	.			trans	-66.5	119.7	170.3	171.5	-23.4	0	0	0	109	A82 S83 G84 A85 L87 A144	D80-A82 PolarHBondContact O-N 3.12Å; D80-A82 WeakPolarHBondContact OD1-CA 3.39Å; D80-A82 VanDerWaalsContact OD1-CB 3.26Å; D80-A82 WeakPolarHBondContact OD1-CB 3.45Å; D80-A82 PolarHBondContact OD1-N 2.92Å; D80-S83 VanDerWaalsContact CB-OG 3.3Å; D80-S83 WeakPolarHBondContact CB-OG 3.39Å; D80-S83 PolarHBondContact O-N 3.27Å; D80-S83 PolarHBondContact OD1-N 2.92Å; D80-S83 PolarHBondContact OD2-OG 3.46Å; D80-G84 VanDerWaalsContact O-CA 3.28Å; D80-G84 WeakPolarHBondContact O-CA 3.41Å; D80-G84 PolarHBondContact O-N 2.86Å; D80-A85 PolarHBondContact N-O 3.37Å; D80-L87 HydrophobicContact CB-CD1 4.45Å; D80-L87 HydrophobicContact CB-CD2 3.9Å; D80-L87 HydrophobicContact CB-CG 4.25Å; D80-A144 WeakPolarHBondContact CA-O 3.42Å
81	P	98	Very high	97.4	Very high	10 Å²	10	40.1 Å²	40.1	7%	0.065	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.3	-174.7	28.8	-35.3	0	0	0	113.7	Q79 A144 E145 P382 N418	Q79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-A144 VanDerWaalsContact CD-O 3.28Å; P81-A144 WeakPolarHBondContact CD-O 3.39Å; P81-E145 WeakPolarHBondContact CD-O 3.48Å; P81-P382 HydrophobicContact CB-CG 4.08Å; P81-P382 HydrophobicContact CG-CG 4.1Å; P81-N418 PolarHBondContact O-ND2 3.35Å
82	A	97.6	Very high	97.5	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-47.9	176	0	0	0	0	0	111.5	D80 N372 P382 K417 F419	D80-A82 PolarHBondContact O-N 3.12Å; D80-A82 WeakPolarHBondContact OD1-CA 3.39Å; D80-A82 VanDerWaalsContact OD1-CB 3.26Å; D80-A82 WeakPolarHBondContact OD1-CB 3.45Å; D80-A82 PolarHBondContact OD1-N 2.92Å; A82-N372 WeakPolarHBondContact CB-ND2 3.44Å; A82-P382 HydrophobicContact CB-CG 3.8Å; A82-K417 VanDerWaalsContact O-CD 3.25Å; A82-K417 WeakPolarHBondContact O-CD 3.43Å; A82-K417 PolarHBondContact O-NZ 3.35Å; A82-F419 HydrophobicContact CB-CE2 4.35Å; A82-F419 HydrophobicContact CB-CZ 3.68Å
83	S	95.9	Very high	97.5	Very high	46 Å²	46	35.7 Å²	35.7	32%	0.322	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-27.1	-173.2	71	0	0	0	0	113.7	D80 A85 K417	D80-S83 VanDerWaalsContact CB-OG 3.3Å; D80-S83 WeakPolarHBondContact CB-OG 3.39Å; D80-S83 PolarHBondContact O-N 3.27Å; D80-S83 PolarHBondContact OD1-N 2.92Å; D80-S83 PolarHBondContact OD2-OG 3.46Å; S83-A85 VanDerWaalsContact OG-CB 3.29Å; S83-A85 WeakPolarHBondContact OG-CB 3.3Å; S83-A85 PolarHBondContact OG-N 2.89Å; S83-K417 PolarHBondContact O-NZ 2.88Å
84	G	95.3	Very high	97.5	Very high	43 Å²	43	31.5 Å²	31.5	44%	0.443	21%	0.212	S	C	.	.			trans	77.5	4.2	-168.8	0	0	0	0	0	113.5	D80	D80-G84 VanDerWaalsContact O-CA 3.28Å; D80-G84 WeakPolarHBondContact O-CA 3.41Å; D80-G84 PolarHBondContact O-N 2.86Å
85	A	95.2	Very high	97.5	Very high	33 Å²	33	31 Å²	31	27%	0.273	20%	0.204	S	C	.	.			trans	-67	138.9	178.4	0	0	0	0	0	110.8	Q79 D80 S83 L87	Q79-A85 CarbonylContact C-O 3.54Å; Q79-A85 VanDerWaalsContact CA-O 3.29Å; Q79-A85 WeakPolarHBondContact CA-O 3.38Å; D80-A85 PolarHBondContact N-O 3.37Å; S83-A85 VanDerWaalsContact OG-CB 3.29Å; S83-A85 WeakPolarHBondContact OG-CB 3.3Å; S83-A85 PolarHBondContact OG-N 2.89Å; A85-L87 PolarHBondContact O-N 3.27Å
86	A	96.1	Very high	97.5	Very high	65 Å²	65	36.6 Å²	36.6	54%	0.537	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.4	174.2	0	0	0	0	0	110.4
87	L	95.6	Very high	97.5	Very high	9 Å²	9	38 Å²	38	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-34.2	177.9	-60.4	-175.2	0	0	0	112.1	Y47 L51 V78 D80 A85 A144 E145 F235	Y47-L87 WeakPolarHBondContact CD1-O 3.33Å; Y47-L87 WeakPolarHBondContact CE1-O 3.4Å; L51-L87 HydrophobicContact CD1-CB 4.23Å; L51-L87 HydrophobicContact CD1-CD2 3.66Å; L51-L87 HydrophobicContact CD1-CG 4.34Å; L51-L87 HydrophobicContact CG-CD2 4.16Å; V78-L87 HydrophobicContact CG1-CD1 4.23Å; V78-L87 PolarHBondContact O-N 3.11Å; D80-L87 HydrophobicContact CB-CD1 4.45Å; D80-L87 HydrophobicContact CB-CD2 3.9Å; D80-L87 HydrophobicContact CB-CG 4.25Å; A85-L87 PolarHBondContact O-N 3.27Å; L87-A144 HydrophobicContact CD1-CB 4.05Å; L87-A144 WeakPolarHBondContact CD1-O 3.23Å; L87-A144 HydrophobicContact CD2-CB 4.39Å; L87-E145 HydrophobicContact CD1-CB 4.21Å; L87-F235 HydrophobicContact CB-CE2 3.66Å; L87-F235 HydrophobicContact CB-CZ 4.17Å; L87-F235 HydrophobicContact CD1-CE2 4.15Å
88	G	95	Very high	97.6	Very high	16 Å²	16	34.4 Å²	34.4	17%	0.165	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	169.8	179.1	0	0	0	0	0	113.7	V78	V78-G88 PolarHBondContact N-O 3.41Å
89	M	98.2	Very high	97.6	Very high	66 Å²	66	40.1 Å²	40.1	33%	0.325	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.5	173.2	-67.4	-59.6	-60.5	0	0	108.5	T61 T75 F76 P77	T61-M89 VanDerWaalsContact CB-O 3.27Å; T61-M89 WeakPolarHBondContact CB-O 3.39Å; T61-M89 WeakPolarHBondContact CG2-O 3.28Å; T75-M89 WeakPolarHBondContact OG1-CE 3.42Å; F76-M89 WeakPolarHBondContact O-CA 3.12Å; P77-M89 HydrophobicContact CB-SD 3.82Å
90	V	98.6	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.3	-175.6	-179	0	0	0	0	109.9	T61 T75 F76 V78 D92 P234 F235 L238 P258	T61-V90 CarbonylContact O-C 3.48Å; T61-V90 WeakPolarHBondContact O-CA 3.4Å; T75-V90 CarbonylContact C-O 3.2Å; T75-V90 WeakPolarHBondContact CA-O 3.37Å; T75-V90 VanDerWaalsContact CB-O 3.27Å; T75-V90 WeakPolarHBondContact CB-O 3.42Å; F76-V90 HydrophobicContact CD1-CB 4.5Å; F76-V90 HydrophobicContact CE1-CB 3.98Å; F76-V90 HydrophobicContact CE1-CG1 3.97Å; F76-V90 HydrophobicContact CE2-CB 4.2Å; F76-V90 HydrophobicContact CZ-CB 3.82Å; F76-V90 HydrophobicContact CZ-CG1 3.87Å; F76-V90 PolarHBondContact N-O 2.94Å; F76-V90 PolarHBondContact O-N 3.28Å; V78-V90 HydrophobicContact CG2-CB 4.42Å; V78-V90 HydrophobicContact CG2-CG2 3.69Å; V90-D92 PolarHBondContact O-N 3.43Å; V90-P234 HydrophobicContact CB-CG 4.33Å; V90-P234 HydrophobicContact CG1-CB 4.19Å; V90-P234 HydrophobicContact CG1-CG 4.13Å; V90-P234 HydrophobicContact CG2-CG 3.85Å; V90-F235 HydrophobicContact CG2-CD1 4.19Å; V90-F235 HydrophobicContact CG2-CE1 3.41Å; V90-F235 VanDerWaalsContact CG2-CE1 3.41Å; V90-F235 HydrophobicContact CG2-CZ 3.67Å; V90-L238 HydrophobicContact CG1-CD1 4.25Å; V90-P258 HydrophobicContact CG1-CB 3.51Å; V90-P258 HydrophobicContact CG1-CG 3.8Å
91	A	98.8	Very high	97.7	Very high	1 Å²	1	36 Å²	36	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	128.3	174.9	0	0	0	0	0	110.9	T61 A72 F76 P258	T61-A91 PolarHBondContact O-N 3.41Å; A72-A91 HydrophobicContact CB-CB 3.93Å; F76-A91 WeakPolarHBondContact CE1-O 3.17Å; A91-P258 CarbonylContact O-C 3.59Å
92	D	98.8	Very high	97.8	Very high	17 Å²	17	35.5 Å²	35.5	9%	0.091	21%	0.205	C	C	.	.			trans	-100.4	82	177.2	-161.9	-2.2	0	0	0	109.7	A74 F76 V90 C259 S260 N263	A74-D92 HydrophobicContact CB-CB 4.11Å; A74-D92 PolarHBondContact O-N 3.26Å; F76-D92 HydrophobicContact CD1-CB 3.84Å; V90-D92 PolarHBondContact O-N 3.43Å; D92-C259 VanDerWaalsContact OD1-CA 3.26Å; D92-C259 WeakPolarHBondContact OD1-CA 3.27Å; D92-C259 WeakPolarHBondContact OD1-CB 3.2Å; D92-S260 PolarHBondContact OD1-N 3.04Å; D92-S260 PolarHBondContact OD1-OG 3.38Å; D92-S260 VanDerWaalsContact OD2-CB 3.26Å; D92-S260 WeakPolarHBondContact OD2-CB 3.35Å; D92-S260 PolarHBondContact OD2-OG 2.94Å; D92-N263 PolarHBondContact OD1-ND2 3.11Å
93	C	98.8	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.			trans	-61.2	137	-179.2	-67.3	0	0	0	0	111.3	S63 E97 I257 P258 C259 N263 V267	S63-C93 VanDerWaalsContact CB-SG 3.56Å; C93-E97 HydrophobicContact CB-CB 3.82Å; C93-E97 HydrophobicContact CB-CG 4.38Å; C93-I257 HydrophobicContact CB-CB 4.13Å; C93-P258 VanDerWaalsContact CB-O 3.25Å; C93-P258 WeakPolarHBondContact CB-O 3.46Å; C93-P258 PolarHBondContact N-O 3.24Å; C93-P258 PolarHBondContact SG-O 3.42Å; C93-C259 HydrophobicContact CB-CB 4.48Å; C93-C259 WeakPolarHBondContact O-CB 3.44Å; C93-N263 PolarHBondContact O-ND2 3.03Å; C93-V267 VanDerWaalsContact O-CG2 3.26Å; C93-V267 WeakPolarHBondContact O-CG2 3.35Å
94	G	98.7	Very high	98	Very high	14 Å²	14	39.6 Å²	39.6	14%	0.144	22%	0.217	C	C	.	.			trans	-104.5	-165.7	169.9	0	0	0	0	0	112.1	R96 E97 A98	G94-R96 PolarHBondContact O-N 3.33Å; G94-E97 WeakPolarHBondContact CA-OE2 3.25Å; G94-E97 PolarHBondContact N-OE2 3.23Å; G94-E97 PolarHBondContact O-N 3.24Å; G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 2.88Å
95	V	98.8	Very high	98.1	Very high	37 Å²	37	37.5 Å²	37.5	22%	0.224	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-33.9	179.2	176.6	0	0	0	0	112.6	R99 E266 A270	V95-R99 WeakPolarHBondContact O-CG 3.34Å; V95-R99 PolarHBondContact O-N 2.84Å; V95-E266 HydrophobicContact CG2-CB 3.76Å; V95-A270 HydrophobicContact CG1-CB 4.03Å; V95-A270 HydrophobicContact CG2-CB 4.44Å
96	R	98.7	Very high	98.3	Very high	192 Å²	192	40.5 Å²	40.5	73%	0.725	20%	0.2	S	C	*	.	H	α-helix	trans	-67	-49.6	-177.5	-173.4	-168.4	-59.3	151.7	1.5	111.1	G94 A98 R99 A100	G94-R96 PolarHBondContact O-N 3.33Å; R96-A98 VanDerWaalsContact C-N 3.34Å; R96-R99 PolarHBondContact O-N 3.49Å; R96-A100 WeakPolarHBondContact O-CB 3.49Å; R96-A100 PolarHBondContact O-N 3.27Å
97	E	98.8	Very high	98.5	Very high	43 Å²	43	42.8 Å²	42.8	20%	0.201	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-41.4	177.7	-65.7	73.6	-162.6	0	0	110.3	C93 G94 A100 A101	C93-E97 HydrophobicContact CB-CB 3.82Å; C93-E97 HydrophobicContact CB-CG 4.38Å; G94-E97 WeakPolarHBondContact CA-OE2 3.25Å; G94-E97 PolarHBondContact N-OE2 3.23Å; G94-E97 PolarHBondContact O-N 3.24Å; E97-A100 WeakPolarHBondContact O-CB 3.34Å; E97-A100 PolarHBondContact O-N 3.38Å; E97-A101 PolarHBondContact O-N 3.27Å
98	A	98.9	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-50.7	175.8	0	0	0	0	0	112.4	G94 R96 A100 A101 V102 I257 V267 A270 I271	G94-A98 WeakPolarHBondContact O-CB 3.36Å; G94-A98 PolarHBondContact O-N 2.88Å; R96-A98 VanDerWaalsContact C-N 3.34Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 3.15Å; A98-A101 PolarHBondContact O-N 3.45Å; A98-V102 WeakPolarHBondContact O-CG2 3.49Å; A98-V102 PolarHBondContact O-N 3.21Å; A98-I257 HydrophobicContact CB-CD1 3.93Å; A98-V267 HydrophobicContact CB-CG1 4.19Å; A98-A270 HydrophobicContact CB-CB 4.29Å; A98-I271 HydrophobicContact CB-CG2 3.87Å
99	R	98.8	Very high	98.8	Very high	123 Å²	123	42.3 Å²	42.3	46%	0.464	19%	0.193	S	C	.	.	H	α-helix	trans	-64.8	-32.7	176.7	-70.2	179.3	-179.1	141.8	3	112.6	V95 R96 R103	V95-R99 WeakPolarHBondContact O-CG 3.34Å; V95-R99 PolarHBondContact O-N 2.84Å; R96-R99 PolarHBondContact O-N 3.49Å; R99-R103 PolarHBondContact O-N 3.44Å; R99-R103 VanDerWaalsContact O-N 3.1Å; R99-R103 PolarHBondContact O-NH1 3.06Å
100	A	98.8	Very high	98.8	Very high	37 Å²	37	42.1 Å²	42.1	31%	0.306	20%	0.198	S	C	.	.	H	α-helix	trans	-66.5	-42	174.2	0	0	0	0	0	111.6	R96 E97 A98 R103 A104	R96-A100 WeakPolarHBondContact O-CB 3.49Å; R96-A100 PolarHBondContact O-N 3.27Å; E97-A100 WeakPolarHBondContact O-CB 3.34Å; E97-A100 PolarHBondContact O-N 3.38Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 3.15Å; A100-R103 PolarHBondContact O-N 3.29Å; A100-A104 PolarHBondContact O-N 3Å
101	A	98.9	Very high	98.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-40.7	174.8	0	0	0	0	0	112.5	V65 E97 A98 A104 A105 V226 N255 I257	V65-A101 HydrophobicContact CG1-CB 3.91Å; V65-A101 HydrophobicContact CG2-CB 3.95Å; E97-A101 PolarHBondContact O-N 3.27Å; A98-A101 PolarHBondContact O-N 3.45Å; A101-A104 PolarHBondContact O-N 2.89Å; A101-A105 WeakPolarHBondContact O-CB 3.38Å; A101-A105 PolarHBondContact O-N 3.06Å; A101-V226 HydrophobicContact CB-CG1 3.9Å; A101-V226 HydrophobicContact CB-CG2 4.28Å; A101-N255 HydrophobicContact CB-CB 4.45Å; A101-I257 HydrophobicContact CB-CG2 3.74Å
102	V	98.9	Very high	98.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-43.7	174.8	171.2	0	0	0	0	111.8	A98 A105 Y106 V226 I271 D274 L276 V277	A98-V102 WeakPolarHBondContact O-CG2 3.49Å; A98-V102 PolarHBondContact O-N 3.21Å; V102-A105 PolarHBondContact O-N 3.07Å; V102-Y106 WeakPolarHBondContact O-CB 3.2Å; V102-Y106 PolarHBondContact O-N 3.3Å; V102-V226 HydrophobicContact CG2-CG2 4.19Å; V102-I271 HydrophobicContact CG2-CB 4.46Å; V102-I271 HydrophobicContact CG2-CG2 4.06Å; V102-D274 HydrophobicContact CG1-CB 4.17Å; V102-L276 HydrophobicContact CG1-CB 3.75Å; V102-L276 HydrophobicContact CG1-CD1 4.48Å; V102-V277 HydrophobicContact CB-CG2 4.44Å; V102-V277 HydrophobicContact CG1-CG2 3.72Å; V102-V277 HydrophobicContact CG2-CG2 3.81Å
103	R	98.9	Very high	98.8	Very high	116 Å²	116	52.8 Å²	52.8	44%	0.438	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-45.1	175.3	-74.8	-171.9	-62.2	-82.2	0.8	112.2	R99 A100 A105 Y106 E107 L276	R99-R103 PolarHBondContact O-N 3.44Å; R99-R103 VanDerWaalsContact O-N 3.1Å; R99-R103 PolarHBondContact O-NH1 3.06Å; A100-R103 PolarHBondContact O-N 3.29Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 3.11Å; R103-Y106 PolarHBondContact O-N 2.92Å; R103-E107 WeakPolarHBondContact O-CG 3.41Å; R103-E107 PolarHBondContact O-N 2.95Å; R103-L276 HydrophobicContact CG-CD1 4.11Å
104	A	98.9	Very high	98.8	Very high	19 Å²	19	59.7 Å²	59.7	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-41.6	176.6	0	0	0	0	0	111.7	V65 A100 A101 A108	V65-A104 HydrophobicContact CG1-CB 4.18Å; A100-A104 PolarHBondContact O-N 3Å; A101-A104 PolarHBondContact O-N 2.89Å; A104-A108 VanDerWaalsContact O-CB 3.26Å; A104-A108 WeakPolarHBondContact O-CB 3.31Å; A104-A108 PolarHBondContact O-N 2.92Å
105	A	98.9	Very high	98.8	Very high	0 Å²	0	61 Å²	61	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-46.1	174.3	0	0	0	0	0	112.1	A101 V102 R103 E107 A108 F109 V197 T224 V226 G252	A101-A105 WeakPolarHBondContact O-CB 3.38Å; A101-A105 PolarHBondContact O-N 3.06Å; V102-A105 PolarHBondContact O-N 3.07Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 3.11Å; A105-E107 PolarHBondContact O-N 2.78Å; A105-A108 CarbonylContact O-C 3.46Å; A105-A108 PolarHBondContact O-N 3.11Å; A105-F109 WeakPolarHBondContact O-CB 3.49Å; A105-F109 PolarHBondContact O-N 3.21Å; A105-V197 HydrophobicContact CB-CG1 3.72Å; A105-V197 HydrophobicContact CB-CG2 4.14Å; A105-T224 PolarHBondContact O-OG1 3.24Å; A105-V226 HydrophobicContact CB-CG2 3.73Å; A105-G252 VanDerWaalsContact CA-O 3.31Å; A105-G252 WeakPolarHBondContact CA-O 3.43Å
106	Y	98.9	Very high	98.8	Very high	96 Å²	96	62.6 Å²	62.6	38%	0.376	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-44.2	180	-173.4	-98	0	0	0	112.7	V102 R103 A108 F109 C110 V197 L276	V102-Y106 WeakPolarHBondContact O-CB 3.2Å; V102-Y106 PolarHBondContact O-N 3.3Å; R103-Y106 PolarHBondContact O-N 2.92Å; Y106-A108 VanDerWaalsContact C-N 3.33Å; Y106-A108 PolarHBondContact O-N 3.16Å; Y106-F109 WeakPolarHBondContact O-CB 3.28Å; Y106-F109 PolarHBondContact O-N 2.96Å; Y106-C110 PolarHBondContact O-N 2.98Å; Y106-C110 PolarHBondContact O-SG 2.97Å; Y106-V197 VanDerWaalsContact CA-CG2 3.45Å; Y106-V197 HydrophobicContact CD2-CG2 4.05Å; Y106-V197 HydrophobicContact CG-CG2 4.48Å; Y106-L276 HydrophobicContact CD1-CD1 4.2Å; Y106-L276 HydrophobicContact CD1-CD2 4.12Å; Y106-L276 HydrophobicContact CD2-CB 3.79Å; Y106-L276 HydrophobicContact CD2-CD2 3.94Å; Y106-L276 HydrophobicContact CD2-CG 4.29Å; Y106-L276 HydrophobicContact CE1-CD2 4.08Å; Y106-L276 HydrophobicContact CE2-CB 4.43Å; Y106-L276 HydrophobicContact CE2-CD2 3.9Å; Y106-L276 HydrophobicContact CG-CB 4.04Å; Y106-L276 HydrophobicContact CG-CD1 4Å; Y106-L276 HydrophobicContact CG-CD2 4.05Å; Y106-L276 HydrophobicContact CG-CG 4.25Å
107	E	98.8	Very high	98.8	Very high	112 Å²	112	55 Å²	55	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-38.9	175	-70.9	174.8	-161.2	0	0	112	R103 A105 R111	R103-E107 WeakPolarHBondContact O-CG 3.41Å; R103-E107 PolarHBondContact O-N 2.95Å; A105-E107 PolarHBondContact O-N 2.78Å; E107-R111 VanDerWaalsContact O-CZ 3.26Å; E107-R111 PolarHBondContact O-NH1 3.43Å
108	A	98.9	Very high	98.8	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-38.7	175.1	0	0	0	0	0	111.9	A104 A105 Y106 C110 R111 W112 T224 S251 V253	A104-A108 VanDerWaalsContact O-CB 3.26Å; A104-A108 WeakPolarHBondContact O-CB 3.31Å; A104-A108 PolarHBondContact O-N 2.92Å; A105-A108 CarbonylContact O-C 3.46Å; A105-A108 PolarHBondContact O-N 3.11Å; Y106-A108 VanDerWaalsContact C-N 3.33Å; Y106-A108 PolarHBondContact O-N 3.16Å; A108-C110 VanDerWaalsContact C-N 3.31Å; A108-C110 PolarHBondContact O-N 2.73Å; A108-R111 CarbonylContact O-C 3.53Å; A108-R111 PolarHBondContact O-N 2.87Å; A108-W112 WeakPolarHBondContact O-CB 3.22Å; A108-W112 PolarHBondContact O-N 3.36Å; A108-T224 HydrophobicContact CB-CG2 4.2Å; A108-S251 WeakPolarHBondContact CB-O 3.48Å; A108-V253 HydrophobicContact CB-CG2 4.26Å
109	F	98.9	Very high	98.8	Very high	13 Å²	13	63.2 Å²	63.2	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-45.1	177.9	167	-115.2	0	0	0	111.9	A105 Y106 R111 W112 R113 P194 V197 G222 T224	A105-F109 WeakPolarHBondContact O-CB 3.49Å; A105-F109 PolarHBondContact O-N 3.21Å; Y106-F109 WeakPolarHBondContact O-CB 3.28Å; Y106-F109 PolarHBondContact O-N 2.96Å; F109-R111 PolarHBondContact O-N 3.38Å; F109-R111 VanDerWaalsContact O-N 3.08Å; F109-W112 PolarHBondContact O-N 2.95Å; F109-R113 HydrophobicContact CD2-CB 4.26Å; F109-R113 HydrophobicContact CE2-CB 3.84Å; F109-R113 HydrophobicContact CZ-CB 4.35Å; F109-R113 WeakPolarHBondContact O-CB 3.24Å; F109-R113 VanDerWaalsContact O-CG 3.27Å; F109-R113 WeakPolarHBondContact O-CG 3.45Å; F109-R113 PolarHBondContact O-N 2.81Å; F109-P194 HydrophobicContact CE2-CB 4.02Å; F109-P194 HydrophobicContact CE2-CG 3.93Å; F109-P194 HydrophobicContact CZ-CG 4.43Å; F109-V197 HydrophobicContact CB-CG2 4.38Å; F109-G222 WeakPolarHBondContact CD2-O 3.43Å; F109-T224 HydrophobicContact CB-CG2 3.9Å
110	C	98.7	Very high	98.8	Very high	63 Å²	63	58.4 Å²	58.4	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-26.7	177.6	-67.9	0	0	0	0	113.3	Y106 A108	Y106-C110 PolarHBondContact O-N 2.98Å; Y106-C110 PolarHBondContact O-SG 2.97Å; A108-C110 VanDerWaalsContact C-N 3.31Å; A108-C110 PolarHBondContact O-N 2.73Å
111	R	98.7	Very high	98.8	Very high	148 Å²	148	57.4 Å²	57.4	56%	0.558	27%	0.274	S	S	*	.	H	α-helix	trans	-94.5	-41.3	175.1	-62.1	-179.3	-69.4	-91.4	1.8	112.1	E107 A108 F109 R113 E114 V115	E107-R111 VanDerWaalsContact O-CZ 3.26Å; E107-R111 PolarHBondContact O-NH1 3.43Å; A108-R111 CarbonylContact O-C 3.53Å; A108-R111 PolarHBondContact O-N 2.87Å; F109-R111 PolarHBondContact O-N 3.38Å; F109-R111 VanDerWaalsContact O-N 3.08Å; R111-R113 PolarHBondContact O-N 3.08Å; R111-E114 WeakPolarHBondContact O-CB 3.49Å; R111-E114 PolarHBondContact O-N 3.49Å; R111-E114 VanDerWaalsContact O-N 3.16Å; R111-V115 PolarHBondContact O-N 2.86Å
112	W	98.8	Very high	98.8	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-36.3	-175.2	-176.6	-120	0	0	0	112.8	A108 F109 E114 V115 R120 L123 L219 C223 T224 P250 V253	A108-W112 WeakPolarHBondContact O-CB 3.22Å; A108-W112 PolarHBondContact O-N 3.36Å; F109-W112 PolarHBondContact O-N 2.95Å; W112-E114 PolarHBondContact O-N 3.2Å; W112-V115 HydrophobicContact CE3-CB 4.04Å; W112-V115 HydrophobicContact CE3-CG1 4.37Å; W112-V115 HydrophobicContact CE3-CG2 3.81Å; W112-V115 HydrophobicContact CZ3-CB 4.24Å; W112-V115 HydrophobicContact CZ3-CG1 4.06Å; W112-V115 HydrophobicContact CZ3-CG2 4.21Å; W112-V115 WeakPolarHBondContact O-CB 3.36Å; W112-V115 PolarHBondContact O-N 3.26Å; W112-V115 VanDerWaalsContact O-N 3.12Å; W112-R120 HydrophobicContact CD2-CG 4.41Å; W112-R120 VanDerWaalsContact CE2-CD 3.45Å; W112-R120 HydrophobicContact CE3-CG 4.47Å; W112-R120 HydrophobicContact CH2-CB 3.88Å; W112-R120 HydrophobicContact CH2-CG 3.59Å; W112-R120 HydrophobicContact CZ2-CB 3.76Å; W112-R120 VanDerWaalsContact CZ2-CD 3.5Å; W112-R120 HydrophobicContact CZ2-CG 3.48Å; W112-R120 VanDerWaalsContact CZ2-CG 3.48Å; W112-R120 HydrophobicContact CZ3-CG 4.08Å; W112-L123 HydrophobicContact CH2-CD1 3.64Å; W112-L123 HydrophobicContact CZ3-CD1 3.61Å; W112-L219 HydrophobicContact CZ2-CB 4.39Å; W112-L219 HydrophobicContact CZ2-CG 4.34Å; W112-L219 PolarHBondContact NE1-O 3.32Å; W112-C223 PolarHBondContact NE1-O 3.46Å; W112-T224 HydrophobicContact CB-CG2 4.09Å; W112-T224 HydrophobicContact CG-CG2 4.3Å; W112-P250 HydrophobicContact CE3-CG 3.98Å; W112-P250 HydrophobicContact CZ3-CG 3.87Å; W112-V253 HydrophobicContact CB-CG2 3.99Å; W112-V253 HydrophobicContact CD2-CG1 4.1Å; W112-V253 HydrophobicContact CD2-CG2 3.91Å; W112-V253 HydrophobicContact CE3-CG2 4.07Å; W112-V253 HydrophobicContact CG-CG1 4.25Å; W112-V253 HydrophobicContact CG-CG2 3.89Å; W112-V253 HydrophobicContact CZ2-CG1 4.39Å
113	R	98.6	Very high	98.8	Very high	89 Å²	89	60.3 Å²	60.3	34%	0.336	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.5	175.4	71	-178	-70.6	157.5	6.4	113.6	F109 R111 P194	F109-R113 HydrophobicContact CD2-CB 4.26Å; F109-R113 HydrophobicContact CE2-CB 3.84Å; F109-R113 HydrophobicContact CZ-CB 4.35Å; F109-R113 WeakPolarHBondContact O-CB 3.24Å; F109-R113 VanDerWaalsContact O-CG 3.27Å; F109-R113 WeakPolarHBondContact O-CG 3.45Å; F109-R113 PolarHBondContact O-N 2.81Å; R111-R113 PolarHBondContact O-N 3.08Å; R113-P194 HydrophobicContact CB-CG 4.11Å
114	E	98.7	Very high	98.8	Very high	146 Å²	146	54.8 Å²	54.8	68%	0.682	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-16	178.9	-59.7	-58.1	128.8	0	0	112.5	R111 W112 S116	R111-E114 WeakPolarHBondContact O-CB 3.49Å; R111-E114 PolarHBondContact O-N 3.49Å; R111-E114 VanDerWaalsContact O-N 3.16Å; W112-E114 PolarHBondContact O-N 3.2Å; E114-S116 PolarHBondContact O-N 3.44Å
115	V	98.8	Very high	98.8	Very high	40 Å²	40	57.6 Å²	57.6	24%	0.242	28%	0.279	C	S	.	.	S	Bend	trans	-67.2	128	174.1	178	0	0	0	0	108.6	R111 W112 E119 R120	R111-V115 PolarHBondContact O-N 2.86Å; W112-V115 HydrophobicContact CE3-CB 4.04Å; W112-V115 HydrophobicContact CE3-CG1 4.37Å; W112-V115 HydrophobicContact CE3-CG2 3.81Å; W112-V115 HydrophobicContact CZ3-CB 4.24Å; W112-V115 HydrophobicContact CZ3-CG1 4.06Å; W112-V115 HydrophobicContact CZ3-CG2 4.21Å; W112-V115 WeakPolarHBondContact O-CB 3.36Å; W112-V115 PolarHBondContact O-N 3.26Å; W112-V115 VanDerWaalsContact O-N 3.12Å; V115-E119 HydrophobicContact CG1-CB 3.64Å; V115-E119 HydrophobicContact CG1-CG 3.58Å; V115-R120 HydrophobicContact CB-CG 4.08Å; V115-R120 HydrophobicContact CG1-CG 3.78Å; V115-R120 PolarHBondContact O-NH1 2.81Å
116	S	98.8	Very high	98.8	Very high	71 Å²	71	62.3 Å²	62.3	50%	0.497	30%	0.299	S	S	.	.			trans	-56.8	147	-177.6	78.6	0	0	0	0	112.3	E114 K118 E119 R120	E114-S116 PolarHBondContact O-N 3.44Å; S116-K118 PolarHBondContact O-N 2.83Å; S116-K118 VanDerWaalsContact O-N 3.14Å; S116-E119 PolarHBondContact O-N 3.23Å; S116-E119 PolarHBondContact OG-N 3.09Å; S116-R120 WeakPolarHBondContact O-CG 3.27Å; S116-R120 PolarHBondContact O-N 2.89Å
117	A	98.8	Very high	98.8	Very high	32 Å²	32	57.7 Å²	57.7	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-53.9	-35.1	176.7	0	0	0	0	0	113.3	S121 A171 R172	A117-S121 WeakPolarHBondContact O-CB 3.39Å; A117-S121 PolarHBondContact O-N 2.95Å; A117-A171 VanDerWaalsContact CB-O 3.26Å; A117-A171 WeakPolarHBondContact CB-O 3.43Å; A117-R172 HydrophobicContact CB-CG 4.34Å
118	K	98.8	Very high	98.8	Very high	132 Å²	132	53.9 Å²	53.9	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-65.3	-40.9	175.9	177.6	176.4	166.2	61.6	0	112	S116 S121 S122	S116-K118 PolarHBondContact O-N 2.83Å; S116-K118 VanDerWaalsContact O-N 3.14Å; K118-S121 WeakPolarHBondContact O-CB 3.39Å; K118-S122 PolarHBondContact O-N 3Å
119	E	98.8	Very high	98.8	Very high	85 Å²	85	57 Å²	57	40%	0.397	28%	0.279	S	S	.	.	H	α-helix	trans	-70.6	-43.7	178.1	-177.9	58.2	-155.3	0	0	111.1	V115 S116 S121 S122 L123	V115-E119 HydrophobicContact CG1-CB 3.64Å; V115-E119 HydrophobicContact CG1-CG 3.58Å; S116-E119 PolarHBondContact O-N 3.23Å; S116-E119 PolarHBondContact OG-N 3.09Å; E119-S121 VanDerWaalsContact C-N 3.31Å; E119-S121 PolarHBondContact O-N 3.31Å; E119-S122 WeakPolarHBondContact O-CB 3.41Å; E119-S122 PolarHBondContact O-N 2.93Å; E119-S122 VanDerWaalsContact O-N 3.08Å; E119-L123 HydrophobicContact CG-CD1 4.25Å; E119-L123 WeakPolarHBondContact O-CG 3.49Å; E119-L123 PolarHBondContact O-N 2.81Å
120	R	98.9	Very high	98.8	Very high	22 Å²	22	57.6 Å²	57.6	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-44.4	174.1	-58.6	-162.6	-55.6	-94	4.3	111.9	W112 V115 S116 L123 L124 L219 A220	W112-R120 HydrophobicContact CD2-CG 4.41Å; W112-R120 VanDerWaalsContact CE2-CD 3.45Å; W112-R120 HydrophobicContact CE3-CG 4.47Å; W112-R120 HydrophobicContact CH2-CB 3.88Å; W112-R120 HydrophobicContact CH2-CG 3.59Å; W112-R120 HydrophobicContact CZ2-CB 3.76Å; W112-R120 VanDerWaalsContact CZ2-CD 3.5Å; W112-R120 HydrophobicContact CZ2-CG 3.48Å; W112-R120 VanDerWaalsContact CZ2-CG 3.48Å; W112-R120 HydrophobicContact CZ3-CG 4.08Å; V115-R120 HydrophobicContact CB-CG 4.08Å; V115-R120 HydrophobicContact CG1-CG 3.78Å; V115-R120 PolarHBondContact O-NH1 2.81Å; S116-R120 WeakPolarHBondContact O-CG 3.27Å; S116-R120 PolarHBondContact O-N 2.89Å; R120-L123 PolarHBondContact O-N 3.08Å; R120-L124 PolarHBondContact O-N 3.01Å; R120-L219 PolarHBondContact NE-O 3.15Å; R120-A220 PolarHBondContact NE-O 3.06Å; R120-A220 PolarHBondContact NH2-O 2.65Å
121	S	98.9	Very high	98.8	Very high	15 Å²	15	54.6 Å²	54.6	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-47.5	172.7	175.3	0	0	0	0	111.8	A117 K118 E119 L123 L124 R125 S168	A117-S121 WeakPolarHBondContact O-CB 3.39Å; A117-S121 PolarHBondContact O-N 2.95Å; K118-S121 WeakPolarHBondContact O-CB 3.39Å; E119-S121 VanDerWaalsContact C-N 3.31Å; E119-S121 PolarHBondContact O-N 3.31Å; S121-L123 VanDerWaalsContact C-N 3.33Å; S121-L123 PolarHBondContact O-N 3.15Å; S121-L124 PolarHBondContact O-N 3.16Å; S121-R125 WeakPolarHBondContact O-CB 3.26Å; S121-R125 PolarHBondContact O-N 2.85Å; S121-S168 WeakPolarHBondContact CB-O 3.43Å; S121-S168 PolarHBondContact O-OG 3.16Å; S121-S168 PolarHBondContact OG-O 2.94Å; S121-S168 PolarHBondContact OG-OG 2.8Å
122	S	98.9	Very high	98.8	Very high	49 Å²	49	50 Å²	50	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-39.1	178.1	-171.6	0	0	0	0	112.9	K118 E119 K126	K118-S122 PolarHBondContact O-N 3Å; E119-S122 WeakPolarHBondContact O-CB 3.41Å; E119-S122 PolarHBondContact O-N 2.93Å; E119-S122 VanDerWaalsContact O-N 3.08Å; S122-K126 WeakPolarHBondContact O-CG 3.1Å; S122-K126 PolarHBondContact O-N 2.62Å
123	L	98.9	Very high	98.8	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-70.3	-43.3	179.2	-69	166.8	0	0	0	111.7	W112 E119 R120 S121 R125 K126 W127 I249	W112-L123 HydrophobicContact CH2-CD1 3.64Å; W112-L123 HydrophobicContact CZ3-CD1 3.61Å; E119-L123 HydrophobicContact CG-CD1 4.25Å; E119-L123 WeakPolarHBondContact O-CG 3.49Å; E119-L123 PolarHBondContact O-N 2.81Å; R120-L123 PolarHBondContact O-N 3.08Å; S121-L123 VanDerWaalsContact C-N 3.33Å; S121-L123 PolarHBondContact O-N 3.15Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 3.21Å; L123-K126 PolarHBondContact O-N 3.1Å; L123-W127 PolarHBondContact O-N 3.04Å; L123-I249 HydrophobicContact CB-CD1 3.91Å
124	L	98.9	Very high	98.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-40.9	173.5	-78	169.6	0	0	0	111.7	R120 S121 W127 Y128 L164 L219 A220	R120-L124 PolarHBondContact O-N 3.01Å; S121-L124 PolarHBondContact O-N 3.16Å; L124-W127 HydrophobicContact CD2-CE3 4.19Å; L124-W127 WeakPolarHBondContact O-CB 3.4Å; L124-W127 PolarHBondContact O-N 3.06Å; L124-Y128 PolarHBondContact O-N 3.48Å; L124-L164 HydrophobicContact CD2-CD2 4.27Å; L124-L219 HydrophobicContact CD1-CB 4.36Å; L124-L219 HydrophobicContact CD2-CB 4.03Å; L124-L219 HydrophobicContact CD2-CD2 4.13Å; L124-L219 HydrophobicContact CG-CB 4.49Å; L124-A220 HydrophobicContact CD1-CB 4.01Å
125	R	98.9	Very high	98.8	Very high	78 Å²	78	50.3 Å²	50.3	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-34.8	176.2	-172.4	160.6	-84.9	-85	9.4	113.1	S121 L123 W127 Y128 N129 E165 E169	S121-R125 WeakPolarHBondContact O-CB 3.26Å; S121-R125 PolarHBondContact O-N 2.85Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 3.21Å; R125-W127 VanDerWaalsContact C-N 3.34Å; R125-Y128 HydrophobicContact CG-CD1 4.44Å; R125-Y128 WeakPolarHBondContact O-CB 3.43Å; R125-Y128 PolarHBondContact O-N 2.99Å; R125-N129 PolarHBondContact O-N 3.31Å; R125-N129 PolarHBondContact O-ND2 2.78Å; R125-E165 IonicContact CZ-OE1 3.88Å; R125-E165 VanDerWaalsContact CZ-OE1 3.26Å; R125-E165 IonicContact NH1-OE1 2.63Å; R125-E165 PolarHBondContact NH1-OE1 2.75Å; R125-E165 IonicContact NH2-OE1 3.33Å; R125-E165 PolarHBondContact NH2-OE1 3.32Å; R125-E169 IonicContact CZ-OE1 3.09Å; R125-E169 IonicContact NH2-OE1 2.6Å; R125-E169 PolarHBondContact NH2-OE1 2.8Å
126	K	98.9	Very high	98.7	Very high	99 Å²	99	51.7 Å²	51.7	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-41.5	170.8	-75.4	172.7	-177.8	173.8	0	111.4	S122 L123 N129 L130 A247	S122-K126 WeakPolarHBondContact O-CG 3.1Å; S122-K126 PolarHBondContact O-N 2.62Å; L123-K126 PolarHBondContact O-N 3.1Å; K126-N129 PolarHBondContact O-N 3.25Å; K126-L130 PolarHBondContact O-N 2.92Å; K126-A247 HydrophobicContact CB-CB 4.09Å
127	W	98.9	Very high	98.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-44.4	176.5	-168.5	9.8	0	0	0	111.9	L123 L124 R125 N129 L130 M131 L164 V215 L219 L240 A244 A247 I249 Y254	L123-W127 PolarHBondContact O-N 3.04Å; L124-W127 HydrophobicContact CD2-CE3 4.19Å; L124-W127 WeakPolarHBondContact O-CB 3.4Å; L124-W127 PolarHBondContact O-N 3.06Å; R125-W127 VanDerWaalsContact C-N 3.34Å; W127-N129 PolarHBondContact O-N 3.07Å; W127-L130 PolarHBondContact O-N 2.92Å; W127-M131 PolarHBondContact O-N 3.45Å; W127-L164 HydrophobicContact CB-CD1 4.09Å; W127-L164 HydrophobicContact CD2-CD1 3.56Å; W127-L164 HydrophobicContact CD2-CD2 4.49Å; W127-L164 HydrophobicContact CE3-CD1 3.94Å; W127-L164 HydrophobicContact CE3-CD2 4.06Å; W127-L164 HydrophobicContact CG-CD1 3.62Å; W127-L164 HydrophobicContact CZ3-CD2 4.17Å; W127-V215 HydrophobicContact CH2-CG1 3.85Å; W127-V215 HydrophobicContact CZ3-CG1 3.95Å; W127-L219 HydrophobicContact CZ3-CD2 3.91Å; W127-L240 HydrophobicContact CZ2-CB 4.09Å; W127-L240 HydrophobicContact CZ2-CD2 4.36Å; W127-L240 WeakPolarHBondContact CZ2-O 3.31Å; W127-L240 PolarHBondContact NE1-O 3.15Å; W127-L240 VanDerWaalsContact NE1-O 3.16Å; W127-A244 HydrophobicContact CD2-CB 4.11Å; W127-A244 HydrophobicContact CE3-CB 4.49Å; W127-A244 HydrophobicContact CH2-CB 4.1Å; W127-A244 HydrophobicContact CZ2-CB 3.67Å; W127-A244 HydrophobicContact CZ3-CB 4.5Å; W127-A247 HydrophobicContact CB-CB 3.74Å; W127-A247 HydrophobicContact CG-CB 4.34Å; W127-I249 HydrophobicContact CE3-CD1 4.26Å; W127-I249 HydrophobicContact CE3-CG1 4.17Å; W127-Y254 HydrophobicContact CH2-CD1 4.22Å; W127-Y254 AromaticContact CH2-CD2 3.93Å; W127-Y254 HydrophobicContact CH2-CD2 3.93Å; W127-Y254 HydrophobicContact CH2-CE1 4.35Å; W127-Y254 HydrophobicContact CH2-CE2 4.08Å; W127-Y254 HydrophobicContact CH2-CG 4.01Å; W127-Y254 HydrophobicContact CZ2-CD1 4.38Å; W127-Y254 HydrophobicContact CZ2-CE1 4.28Å
128	Y	98.9	Very high	98.6	Very high	31 Å²	31	49 Å²	49	12%	0.122	24%	0.235	C	C	.	.	H	α-helix	trans	-51.8	-52.4	169	160.5	-110.5	0	0	0	112.3	L124 R125 L130 M131 I132 A161 F162 E165	L124-Y128 PolarHBondContact O-N 3.48Å; R125-Y128 HydrophobicContact CG-CD1 4.44Å; R125-Y128 WeakPolarHBondContact O-CB 3.43Å; R125-Y128 PolarHBondContact O-N 2.99Å; Y128-L130 VanDerWaalsContact C-N 3.28Å; Y128-L130 PolarHBondContact O-N 2.77Å; Y128-M131 WeakPolarHBondContact O-CB 3.44Å; Y128-M131 PolarHBondContact O-N 3.22Å; Y128-I132 HydrophobicContact CD2-CG1 4.04Å; Y128-I132 HydrophobicContact CE1-CG1 4.47Å; Y128-I132 HydrophobicContact CE2-CD1 3.81Å; Y128-I132 HydrophobicContact CE2-CG1 3.5Å; Y128-I132 PolarHBondContact O-N 3.16Å; Y128-A161 HydrophobicContact CD2-CB 3.7Å; Y128-A161 WeakPolarHBondContact CD2-O 2.88Å; Y128-A161 HydrophobicContact CE2-CB 3.85Å; Y128-F162 HydrophobicContact CE2-CD1 4.12Å; Y128-E165 HydrophobicContact CD1-CB 4.21Å; Y128-E165 HydrophobicContact CD1-CG 4.37Å; Y128-E165 HydrophobicContact CD2-CB 3.85Å; Y128-E165 HydrophobicContact CE1-CB 4.36Å; Y128-E165 HydrophobicContact CE1-CG 4.26Å; Y128-E165 HydrophobicContact CE2-CB 4.04Å; Y128-E165 HydrophobicContact CG-CB 3.93Å; Y128-E165 PolarHBondContact OH-OE2 2.9Å
129	N	98.9	Very high	98.6	Very high	68 Å²	68	42.7 Å²	42.7	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-59.1	-40.2	-178.8	-69.9	-23.8	0	0	0	112	R125 K126 W127 M131 I132 Q133	R125-N129 PolarHBondContact O-N 3.31Å; R125-N129 PolarHBondContact O-ND2 2.78Å; K126-N129 PolarHBondContact O-N 3.25Å; W127-N129 PolarHBondContact O-N 3.07Å; N129-M131 VanDerWaalsContact C-N 3.35Å; N129-I132 PolarHBondContact O-N 3.16Å; N129-Q133 VanDerWaalsContact O-CG 3.24Å; N129-Q133 WeakPolarHBondContact O-CG 3.33Å; N129-Q133 PolarHBondContact O-N 2.9Å
130	L	98.8	Very high	98.6	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-35.2	176.6	-76.8	169.2	0	0	0	112.6	K126 W127 Y128 Q133 N134 L243 Q246 A247	K126-L130 PolarHBondContact O-N 2.92Å; W127-L130 PolarHBondContact O-N 2.92Å; Y128-L130 VanDerWaalsContact C-N 3.28Å; Y128-L130 PolarHBondContact O-N 2.77Å; L130-Q133 PolarHBondContact O-N 3.09Å; L130-N134 WeakPolarHBondContact O-CB 3.45Å; L130-N134 PolarHBondContact O-N 3.05Å; L130-N134 PolarHBondContact O-ND2 3.4Å; L130-L243 HydrophobicContact CB-CB 4.36Å; L130-L243 HydrophobicContact CB-CD2 4.22Å; L130-L243 WeakPolarHBondContact CD1-O 3.41Å; L130-Q246 HydrophobicContact CD1-CB 3.62Å; L130-A247 HydrophobicContact CD1-CB 3.91Å; L130-A247 VanDerWaalsContact CD1-N 3.35Å
131	M	98.8	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-44.4	171.8	-70.4	-174.5	65.7	0	0	111.5	W127 Y128 N129 Q133 N134 K135 L138 S160 A161 L164 T212 L240 L243	W127-M131 PolarHBondContact O-N 3.45Å; Y128-M131 WeakPolarHBondContact O-CB 3.44Å; Y128-M131 PolarHBondContact O-N 3.22Å; N129-M131 VanDerWaalsContact C-N 3.35Å; M131-Q133 VanDerWaalsContact C-N 3.34Å; M131-Q133 PolarHBondContact O-N 2.95Å; M131-N134 CarbonylContact O-C 3.49Å; M131-N134 PolarHBondContact O-N 2.92Å; M131-K135 VanDerWaalsContact O-CA 3.3Å; M131-K135 WeakPolarHBondContact O-CA 3.26Å; M131-K135 PolarHBondContact O-N 3.02Å; M131-L138 HydrophobicContact CB-CD1 4.17Å; M131-L138 HydrophobicContact CG-CD1 4.31Å; M131-S160 WeakPolarHBondContact CE-OG 3.29Å; M131-A161 HydrophobicContact CB-CB 4.04Å; M131-A161 HydrophobicContact CE-CB 4.17Å; M131-A161 HydrophobicContact SD-CB 4.35Å; M131-L164 HydrophobicContact CG-CD1 4.4Å; M131-L164 HydrophobicContact SD-CD1 3.39Å; M131-L164 WeakPolarHBondContact SD-CD1 3.45Å; M131-L164 HydrophobicContact SD-CG 4.22Å; M131-T212 HydrophobicContact CE-CG2 4.32Å; M131-T212 HydrophobicContact SD-CG2 4.19Å; M131-L240 HydrophobicContact CE-CD2 3.71Å; M131-L240 HydrophobicContact CG-CD2 4.19Å; M131-L240 HydrophobicContact SD-CD2 3.55Å; M131-L240 VanDerWaalsContact SD-CD2 3.55Å; M131-L243 HydrophobicContact CG-CD1 4.03Å
132	I	98.7	Very high	98.5	Very high	51 Å²	51	42 Å²	42	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-41.5	177.2	-63.4	-58.7	0	0	0	111.4	Y128 N129 N134 K135 L158 A161	Y128-I132 HydrophobicContact CD2-CG1 4.04Å; Y128-I132 HydrophobicContact CE1-CG1 4.47Å; Y128-I132 HydrophobicContact CE2-CD1 3.81Å; Y128-I132 HydrophobicContact CE2-CG1 3.5Å; Y128-I132 PolarHBondContact O-N 3.16Å; N129-I132 PolarHBondContact O-N 3.16Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.22Å; I132-K135 WeakPolarHBondContact O-CB 3.4Å; I132-K135 VanDerWaalsContact O-CG 3.29Å; I132-K135 WeakPolarHBondContact O-CG 3.43Å; I132-K135 PolarHBondContact O-N 3.39Å; I132-L158 HydrophobicContact CD1-CD2 3.97Å; I132-A161 HydrophobicContact CD1-CB 3.7Å; I132-A161 HydrophobicContact CG1-CB 4.27Å
133	Q	98.4	Very high	98.5	Very high	140 Å²	140	39.7 Å²	39.7	65%	0.654	18%	0.183	S	C	*	.	H	α-helix	trans	-63.8	-32.7	177.6	-72.8	167.7	32.1	0	0	112.9	N129 L130 M131	N129-Q133 VanDerWaalsContact O-CG 3.24Å; N129-Q133 WeakPolarHBondContact O-CG 3.33Å; N129-Q133 PolarHBondContact O-N 2.9Å; L130-Q133 PolarHBondContact O-N 3.09Å; M131-Q133 VanDerWaalsContact C-N 3.34Å; M131-Q133 PolarHBondContact O-N 2.95Å
134	N	98.3	Very high	98.4	Very high	36 Å²	36	39.2 Å²	39.2	19%	0.193	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	15.7	-178.4	-66.8	-87.2	0	0	0	112.8	L58 L130 M131 I132 D136 D137 L138 L243	L58-N134 HydrophobicContact CD1-CB 3.99Å; L130-N134 WeakPolarHBondContact O-CB 3.45Å; L130-N134 PolarHBondContact O-N 3.05Å; L130-N134 PolarHBondContact O-ND2 3.4Å; M131-N134 CarbonylContact O-C 3.49Å; M131-N134 PolarHBondContact O-N 2.92Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.22Å; N134-D136 PolarHBondContact O-N 3.08Å; N134-D136 VanDerWaalsContact O-N 3.08Å; N134-D137 PolarHBondContact O-N 3.32Å; N134-L138 HydrophobicContact CB-CD1 4.32Å; N134-L138 HydrophobicContact CB-CG 4.3Å; N134-L138 VanDerWaalsContact O-CG 3.32Å; N134-L138 WeakPolarHBondContact O-CG 3.46Å; N134-L138 PolarHBondContact O-N 3.24Å; N134-L243 HydrophobicContact CB-CD1 4.38Å
135	K	98.2	Very high	98.4	Very high	70 Å²	70	39.3 Å²	39.3	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-58.2	-32.3	-166.4	66.3	177.5	175.1	49.2	0	114.4	M131 I132 A139 I157	M131-K135 VanDerWaalsContact O-CA 3.3Å; M131-K135 WeakPolarHBondContact O-CA 3.26Å; M131-K135 PolarHBondContact O-N 3.02Å; I132-K135 WeakPolarHBondContact O-CB 3.4Å; I132-K135 VanDerWaalsContact O-CG 3.29Å; I132-K135 WeakPolarHBondContact O-CG 3.43Å; I132-K135 PolarHBondContact O-N 3.39Å; K135-A139 VanDerWaalsContact O-CB 3.31Å; K135-A139 WeakPolarHBondContact O-CB 3.45Å; K135-A139 PolarHBondContact O-N 3.42Å; K135-I157 HydrophobicContact CB-CG2 3.74Å
136	D	97.4	Very high	98.4	Very high	70 Å²	70	35.6 Å²	35.6	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-76.8	-41.5	-175	-58.6	-52.7	0	0	0	110.9	N134 A139 R140 H154	N134-D136 PolarHBondContact O-N 3.08Å; N134-D136 VanDerWaalsContact O-N 3.08Å; D136-A139 PolarHBondContact O-N 3.5Å; D136-R140 VanDerWaalsContact O-CG 3.28Å; D136-R140 WeakPolarHBondContact O-CG 3.48Å; D136-R140 PolarHBondContact O-N 3.26Å; D136-H154 IonicContact OD1-CE1 2.66Å; D136-H154 PolarHBondContact OD1-CE1 2.85Å; D136-H154 IonicContact OD1-ND1 3.39Å
137	D	97.8	Very high	98.4	Very high	40 Å²	40	31 Å²	31	21%	0.214	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-41.3	173.5	-80.5	0.9	0	0	0	111.4	L54 S55 L58 N134 A139 R140 I141	L54-D137 HydrophobicContact CD2-CB 3.73Å; L54-D137 WeakPolarHBondContact CD2-OD1 3.32Å; S55-D137 WeakPolarHBondContact CB-OD2 3.48Å; S55-D137 PolarHBondContact N-OD2 3.49Å; S55-D137 VanDerWaalsContact N-OD2 3.09Å; L58-D137 HydrophobicContact CD1-CB 3.69Å; N134-D137 PolarHBondContact O-N 3.32Å; D137-A139 VanDerWaalsContact C-N 3.34Å; D137-A139 PolarHBondContact O-N 2.95Å; D137-R140 WeakPolarHBondContact O-CB 3.28Å; D137-R140 PolarHBondContact O-N 3.06Å; D137-I141 WeakPolarHBondContact O-CG1 3.26Å; D137-I141 PolarHBondContact O-N 2.8Å
138	L	98.4	Very high	98.3	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-41.5	175.1	-65.9	173.1	0	0	0	111.7	M131 N134 R140 I141 I142 I157 A239 L243	M131-L138 HydrophobicContact CB-CD1 4.17Å; M131-L138 HydrophobicContact CG-CD1 4.31Å; N134-L138 HydrophobicContact CB-CD1 4.32Å; N134-L138 HydrophobicContact CB-CG 4.3Å; N134-L138 VanDerWaalsContact O-CG 3.32Å; N134-L138 WeakPolarHBondContact O-CG 3.46Å; N134-L138 PolarHBondContact O-N 3.24Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.84Å; L138-I141 PolarHBondContact O-N 2.74Å; L138-I142 WeakPolarHBondContact O-CG1 3.32Å; L138-I142 PolarHBondContact O-N 3.06Å; L138-I157 HydrophobicContact CB-CD1 3.48Å; L138-I157 VanDerWaalsContact CB-CD1 3.48Å; L138-I157 HydrophobicContact CB-CG1 3.82Å; L138-I157 HydrophobicContact CB-CG2 4.33Å; L138-I157 HydrophobicContact CD1-CD1 4.36Å; L138-I157 HydrophobicContact CD1-CG2 4.28Å; L138-I157 HydrophobicContact CG-CD1 4.5Å; L138-A239 HydrophobicContact CD2-CB 3.64Å; L138-L243 HydrophobicContact CD1-CD1 3.85Å; L138-L243 HydrophobicContact CD2-CD1 4.21Å; L138-L243 HydrophobicContact CG-CD1 4.47Å
139	A	98.3	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-38.9	176.6	0	0	0	0	0	111.7	K135 D136 D137 I142 T143 L150 A153 I157	K135-A139 VanDerWaalsContact O-CB 3.31Å; K135-A139 WeakPolarHBondContact O-CB 3.45Å; K135-A139 PolarHBondContact O-N 3.42Å; D136-A139 PolarHBondContact O-N 3.5Å; D137-A139 VanDerWaalsContact C-N 3.34Å; D137-A139 PolarHBondContact O-N 2.95Å; A139-I142 PolarHBondContact O-N 2.91Å; A139-T143 PolarHBondContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.47Å; A139-L150 HydrophobicContact CB-CD1 4.23Å; A139-A153 HydrophobicContact CB-CB 4.01Å; A139-A153 VanDerWaalsContact O-CB 3.28Å; A139-A153 WeakPolarHBondContact O-CB 3.35Å; A139-I157 HydrophobicContact CB-CG1 4.17Å
140	R	97.9	Very high	98.3	Very high	103 Å²	103	28.3 Å²	28.3	39%	0.389	14%	0.136	S	C	.	.	H	α-helix	trans	-62.8	-40.3	173.7	-72.7	172.2	178	-85.1	-3.1	112.2	L54 D136 D137 L138 T143 A144 L150 F374	L54-R140 HydrophobicContact CD2-CB 3.82Å; L54-R140 HydrophobicContact CD2-CG 4.48Å; D136-R140 VanDerWaalsContact O-CG 3.28Å; D136-R140 WeakPolarHBondContact O-CG 3.48Å; D136-R140 PolarHBondContact O-N 3.26Å; D137-R140 WeakPolarHBondContact O-CB 3.28Å; D137-R140 PolarHBondContact O-N 3.06Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.84Å; R140-T143 PolarHBondContact O-N 2.83Å; R140-A144 WeakPolarHBondContact O-CB 3.31Å; R140-A144 PolarHBondContact O-N 3.06Å; R140-L150 HydrophobicContact CG-CD1 4.11Å; R140-F374 HydrophobicContact CB-CE1 4.04Å; R140-F374 HydrophobicContact CG-CE1 4.03Å; R140-F374 WeakPolarHBondContact O-CZ 3.28Å
141	I	98.3	Very high	98.3	Very high	3 Å²	3	36 Å²	36	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-51.2	173.9	-70.1	169.9	0	0	0	109.9	L54 L58 D137 L138 T143 A144 E145 F235 A239	L54-I141 HydrophobicContact CD1-CD1 4.33Å; L54-I141 HydrophobicContact CD1-CG1 3.62Å; L58-I141 HydrophobicContact CB-CD1 4.03Å; D137-I141 WeakPolarHBondContact O-CG1 3.26Å; D137-I141 PolarHBondContact O-N 2.8Å; L138-I141 PolarHBondContact O-N 2.74Å; I141-T143 PolarHBondContact O-N 2.86Å; I141-A144 WeakPolarHBondContact O-CB 3.35Å; I141-A144 PolarHBondContact O-N 3.07Å; I141-A144 VanDerWaalsContact O-N 3.15Å; I141-E145 WeakPolarHBondContact O-CG 3.37Å; I141-E145 PolarHBondContact O-N 3.39Å; I141-E145 VanDerWaalsContact O-N 3.09Å; I141-F235 HydrophobicContact CG2-CB 3.6Å; I141-A239 HydrophobicContact CD1-CB 3.99Å
142	I	98.5	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-50.8	178.4	-68.1	179.3	0	0	0	111.3	L138 A139 A144 E145 S146 K148 A153 E156 I157 P207 S236	L138-I142 WeakPolarHBondContact O-CG1 3.32Å; L138-I142 PolarHBondContact O-N 3.06Å; A139-I142 PolarHBondContact O-N 2.91Å; I142-A144 VanDerWaalsContact C-N 3.27Å; I142-A144 PolarHBondContact O-N 3.44Å; I142-E145 PolarHBondContact O-N 2.93Å; I142-S146 VanDerWaalsContact O-CB 3.29Å; I142-S146 WeakPolarHBondContact O-CB 3.43Å; I142-S146 PolarHBondContact O-N 3.37Å; I142-S146 PolarHBondContact O-OG 2.95Å; I142-K148 HydrophobicContact CG2-CD 3.74Å; I142-K148 HydrophobicContact CG2-CG 4.04Å; I142-A153 HydrophobicContact CB-CB 3.97Å; I142-A153 HydrophobicContact CG2-CB 3.81Å; I142-E156 HydrophobicContact CD1-CB 4.26Å; I142-E156 HydrophobicContact CD1-CG 4.01Å; I142-I157 HydrophobicContact CD1-CD1 3.32Å; I142-I157 HydrophobicContact CD1-CG1 3.76Å; I142-I157 HydrophobicContact CG1-CD1 4.27Å; I142-P207 HydrophobicContact CG1-CG 4.14Å; I142-P207 HydrophobicContact CG2-CG 4.2Å; I142-S236 WeakPolarHBondContact CG1-OG 3.43Å
143	T	98.5	Very high	98.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-37.5	179.6	-73.6	0	0	0	0	112	A139 R140 I141 G147 K148 L150 A153 F374	A139-T143 PolarHBondContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.47Å; R140-T143 PolarHBondContact O-N 2.83Å; I141-T143 PolarHBondContact O-N 2.86Å; T143-G147 WeakPolarHBondContact O-CA 3.28Å; T143-G147 PolarHBondContact O-N 3.28Å; T143-K148 WeakPolarHBondContact CB-O 3.41Å; T143-K148 VanDerWaalsContact CG2-O 3.26Å; T143-K148 WeakPolarHBondContact CG2-O 3.31Å; T143-K148 PolarHBondContact OG1-O 3.09Å; T143-L150 WeakPolarHBondContact OG1-CA 3.41Å; T143-A153 VanDerWaalsContact OG1-CB 3.31Å; T143-A153 WeakPolarHBondContact OG1-CB 3.3Å; T143-F374 HydrophobicContact CG2-CD1 3.96Å; T143-F374 HydrophobicContact CG2-CD2 3.82Å; T143-F374 HydrophobicContact CG2-CE1 3.82Å; T143-F374 HydrophobicContact CG2-CE2 3.69Å; T143-F374 HydrophobicContact CG2-CG 3.96Å; T143-F374 HydrophobicContact CG2-CZ 3.68Å
144	A	98	Very high	98.2	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-44	178.7	0	0	0	0	0	112.7	L51 D80 P81 L87 R140 I141 I142 F374	L51-A144 HydrophobicContact CD1-CB 4.25Å; L51-A144 HydrophobicContact CD2-CB 3.4Å; L51-A144 VanDerWaalsContact CD2-CB 3.4Å; L51-A144 HydrophobicContact CG-CB 4.08Å; D80-A144 WeakPolarHBondContact CA-O 3.42Å; P81-A144 VanDerWaalsContact CD-O 3.28Å; P81-A144 WeakPolarHBondContact CD-O 3.39Å; L87-A144 HydrophobicContact CD1-CB 4.05Å; L87-A144 WeakPolarHBondContact CD1-O 3.23Å; L87-A144 HydrophobicContact CD2-CB 4.39Å; R140-A144 WeakPolarHBondContact O-CB 3.31Å; R140-A144 PolarHBondContact O-N 3.06Å; I141-A144 WeakPolarHBondContact O-CB 3.35Å; I141-A144 PolarHBondContact O-N 3.07Å; I141-A144 VanDerWaalsContact O-N 3.15Å; I142-A144 VanDerWaalsContact C-N 3.27Å; I142-A144 PolarHBondContact O-N 3.44Å; A144-F374 HydrophobicContact CB-CE2 4.14Å; A144-F374 HydrophobicContact CB-CZ 3.97Å
145	E	98.4	Very high	98.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-89.6	-32.4	-175.4	66.5	-178.2	-179.3	0	0	113.8	P81 L87 I141 I142 T233 F235 S236	P81-E145 WeakPolarHBondContact CD-O 3.48Å; L87-E145 HydrophobicContact CD1-CB 4.21Å; I141-E145 WeakPolarHBondContact O-CG 3.37Å; I141-E145 PolarHBondContact O-N 3.39Å; I141-E145 VanDerWaalsContact O-N 3.09Å; I142-E145 PolarHBondContact O-N 2.93Å; E145-T233 HydrophobicContact CB-CG2 4.01Å; E145-T233 VanDerWaalsContact CD-C 3.47Å; E145-T233 VanDerWaalsContact CD-CB 3.47Å; E145-T233 HydrophobicContact CG-CG2 3.64Å; E145-T233 WeakPolarHBondContact OE2-CA 3.44Å; E145-F235 HydrophobicContact CB-CD2 4.33Å; E145-F235 WeakPolarHBondContact OE2-CA 3.17Å; E145-F235 WeakPolarHBondContact OE2-CB 2.98Å; E145-F235 WeakPolarHBondContact OE2-CD2 3.18Å; E145-F235 PolarHBondContact OE2-N 3.48Å; E145-S236 WeakPolarHBondContact OE1-CB 3.23Å; E145-S236 PolarHBondContact OE1-N 3.26Å; E145-S236 PolarHBondContact OE1-OG 2.97Å
146	S	98.3	Very high	98.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-97.5	-16.9	-177.8	107.4	0	0	0	0	113.2	I142 K148	I142-S146 VanDerWaalsContact O-CB 3.29Å; I142-S146 WeakPolarHBondContact O-CB 3.43Å; I142-S146 PolarHBondContact O-N 3.37Å; I142-S146 PolarHBondContact O-OG 2.95Å; S146-K148 PolarHBondContact O-N 3.28Å; S146-K148 WeakPolarHBondContact OG-CE 3.25Å; S146-K148 WeakPolarHBondContact OG-CG 3.48Å; S146-K148 PolarHBondContact OG-N 3.16Å
147	G	98.2	Very high	98.3	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.021	13%	0.127	C	C	.	.			trans	77.7	-7.5	-177.5	0	0	0	0	0	115.9	T143 P382	T143-G147 WeakPolarHBondContact O-CA 3.28Å; T143-G147 PolarHBondContact O-N 3.28Å; G147-P382 VanDerWaalsContact O-CD 3.32Å; G147-P382 WeakPolarHBondContact O-CD 3.31Å
148	K	98.6	Very high	98.4	Very high	3 Å²	3	27 Å²	27	1%	0.013	13%	0.134	C	C	.	.			trans	-65.1	149.5	-174.5	77.2	-179.1	64.9	-174	0	111.8	I142 T143 S146 L150 E152 A153 E156 N205 N335	I142-K148 HydrophobicContact CG2-CD 3.74Å; I142-K148 HydrophobicContact CG2-CG 4.04Å; T143-K148 WeakPolarHBondContact CB-O 3.41Å; T143-K148 VanDerWaalsContact CG2-O 3.26Å; T143-K148 WeakPolarHBondContact CG2-O 3.31Å; T143-K148 PolarHBondContact OG1-O 3.09Å; S146-K148 PolarHBondContact O-N 3.28Å; S146-K148 WeakPolarHBondContact OG-CE 3.25Å; S146-K148 WeakPolarHBondContact OG-CG 3.48Å; S146-K148 PolarHBondContact OG-N 3.16Å; K148-L150 PolarHBondContact O-N 3.27Å; K148-E152 HydrophobicContact CD-CB 4.1Å; K148-E152 HydrophobicContact CG-CB 4.32Å; K148-A153 HydrophobicContact CD-CB 4.26Å; K148-A153 HydrophobicContact CG-CB 4.12Å; K148-E156 IonicContact NZ-OE2 4Å; K148-E156 PolarHBondContact NZ-OE2 3.05Å; K148-N205 PolarHBondContact NZ-O 3.43Å; K148-N335 VanDerWaalsContact CB-OD1 3.25Å; K148-N335 WeakPolarHBondContact CB-OD1 3.39Å; K148-N335 VanDerWaalsContact CE-OD1 3.28Å; K148-N335 WeakPolarHBondContact CE-OD1 3.34Å
149	P	98.4	Very high	98.4	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.019	14%	0.138	C	C	.	.			trans	-51.5	140.4	176.4	-25.3	33.2	0	0	0	112.6	K151 E152 A153 T378	P149-K151 PolarHBondContact O-N 3.28Å; P149-K151 VanDerWaalsContact O-N 3.11Å; P149-E152 HydrophobicContact CB-CG 4.27Å; P149-E152 HydrophobicContact CG-CG 4.4Å; P149-E152 WeakPolarHBondContact O-CA 3.24Å; P149-E152 WeakPolarHBondContact O-CB 3.29Å; P149-E152 PolarHBondContact O-N 3.49Å; P149-A153 PolarHBondContact O-N 2.93Å; P149-T378 HydrophobicContact CG-CG2 4.29Å
150	L	98.2	Very high	98.4	Very high	38 Å²	38	28.1 Å²	28.1	20%	0.199	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-34.7	-175.5	-170.4	65	0	0	0	112.8	A139 R140 T143 K148 E152 A153 H154 G373 F374	A139-L150 HydrophobicContact CB-CD1 4.23Å; R140-L150 HydrophobicContact CG-CD1 4.11Å; T143-L150 WeakPolarHBondContact OG1-CA 3.41Å; K148-L150 PolarHBondContact O-N 3.27Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 2.88Å; L150-A153 PolarHBondContact O-N 2.75Å; L150-H154 PolarHBondContact O-CD2 3.38Å; L150-H154 PolarHBondContact O-N 3.25Å; L150-G373 WeakPolarHBondContact CB-O 3.2Å; L150-G373 PolarHBondContact N-O 3.36Å; L150-F374 HydrophobicContact CD1-CD1 4.46Å; L150-F374 HydrophobicContact CD1-CE1 4.35Å
151	K	98.1	Very high	98.5	Very high	186 Å²	186	23.2 Å²	23.2	81%	0.809	12%	0.119	S	C	*	.	H	α-helix	trans	-59.5	-40.7	173.5	-175.2	176.1	179.9	178.4	0	112.6	P149 G155	P149-K151 PolarHBondContact O-N 3.28Å; P149-K151 VanDerWaalsContact O-N 3.11Å; K151-G155 PolarHBondContact O-N 2.95Å; K151-G155 VanDerWaalsContact O-N 3.16Å
152	E	98.4	Very high	98.5	Very high	46 Å²	46	26.7 Å²	26.7	22%	0.215	14%	0.135	C	C	.	.	H	α-helix	trans	-72.4	-36.9	176.8	-61.1	-172.9	179.5	0	0	111.6	K148 P149 L150 H154 G155 E156 N335	K148-E152 HydrophobicContact CD-CB 4.1Å; K148-E152 HydrophobicContact CG-CB 4.32Å; P149-E152 HydrophobicContact CB-CG 4.27Å; P149-E152 HydrophobicContact CG-CG 4.4Å; P149-E152 WeakPolarHBondContact O-CA 3.24Å; P149-E152 WeakPolarHBondContact O-CB 3.29Å; P149-E152 PolarHBondContact O-N 3.49Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 2.88Å; E152-H154 VanDerWaalsContact C-N 3.34Å; E152-H154 PolarHBondContact O-N 3.29Å; E152-G155 PolarHBondContact O-N 3.34Å; E152-G155 VanDerWaalsContact O-N 3.16Å; E152-E156 PolarHBondContact O-N 3.41Å; E152-N335 PolarHBondContact OE1-N 2.79Å; E152-N335 WeakPolarHBondContact OE2-CA 3.49Å; E152-N335 PolarHBondContact OE2-N 3.09Å
153	A	98.6	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-39.8	173.5	0	0	0	0	0	112.2	A139 I142 T143 K148 P149 L150 E156 I157	A139-A153 HydrophobicContact CB-CB 4.01Å; A139-A153 VanDerWaalsContact O-CB 3.28Å; A139-A153 WeakPolarHBondContact O-CB 3.35Å; I142-A153 HydrophobicContact CB-CB 3.97Å; I142-A153 HydrophobicContact CG2-CB 3.81Å; T143-A153 VanDerWaalsContact OG1-CB 3.31Å; T143-A153 WeakPolarHBondContact OG1-CB 3.3Å; K148-A153 HydrophobicContact CD-CB 4.26Å; K148-A153 HydrophobicContact CG-CB 4.12Å; P149-A153 PolarHBondContact O-N 2.93Å; L150-A153 PolarHBondContact O-N 2.75Å; A153-E156 PolarHBondContact O-N 3.07Å; A153-I157 WeakPolarHBondContact O-CG1 3.49Å; A153-I157 PolarHBondContact O-N 3.2Å
154	H	98.5	Very high	98.5	Very high	55 Å²	55	26.7 Å²	26.7	26%	0.255	13%	0.134	S	C	.	.	H	α-helix	trans	-60.7	-44	170.6	-76	-64.2	0	0	0	112.3	D136 L150 E152 E156 I157 L158	D136-H154 IonicContact OD1-CE1 2.66Å; D136-H154 PolarHBondContact OD1-CE1 2.85Å; D136-H154 IonicContact OD1-ND1 3.39Å; L150-H154 PolarHBondContact O-CD2 3.38Å; L150-H154 PolarHBondContact O-N 3.25Å; E152-H154 VanDerWaalsContact C-N 3.34Å; E152-H154 PolarHBondContact O-N 3.29Å; H154-E156 VanDerWaalsContact C-N 3.3Å; H154-E156 PolarHBondContact O-N 2.91Å; H154-I157 PolarHBondContact O-N 2.83Å; H154-L158 WeakPolarHBondContact O-CG 3.47Å; H154-L158 PolarHBondContact O-N 2.85Å; H154-L158 VanDerWaalsContact O-N 3.09Å
155	G	98.3	Very high	98.6	Very high	41 Å²	41	28.8 Å²	28.8	42%	0.423	14%	0.144	S	C	.	.	H	α-helix	trans	-58.2	-42.5	174.8	0	0	0	0	0	112.1	K151 E152 Y159	K151-G155 PolarHBondContact O-N 2.95Å; K151-G155 VanDerWaalsContact O-N 3.16Å; E152-G155 PolarHBondContact O-N 3.34Å; E152-G155 VanDerWaalsContact O-N 3.16Å; G155-Y159 WeakPolarHBondContact O-CB 3.12Å; G155-Y159 PolarHBondContact O-N 2.95Å
156	E	98.7	Very high	98.6	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.023	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-45.7	174.9	-178.6	177.4	167.8	0	0	112.5	I142 K148 E152 A153 H154 L158 Y159 S160 F206 P207 S208 A209	I142-E156 HydrophobicContact CD1-CB 4.26Å; I142-E156 HydrophobicContact CD1-CG 4.01Å; K148-E156 IonicContact NZ-OE2 4Å; K148-E156 PolarHBondContact NZ-OE2 3.05Å; E152-E156 PolarHBondContact O-N 3.41Å; A153-E156 PolarHBondContact O-N 3.07Å; H154-E156 VanDerWaalsContact C-N 3.3Å; H154-E156 PolarHBondContact O-N 2.91Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.46Å; E156-Y159 CarbonylContact O-C 3.53Å; E156-Y159 PolarHBondContact O-N 2.86Å; E156-S160 WeakPolarHBondContact O-CB 3.44Å; E156-S160 PolarHBondContact O-N 2.97Å; E156-F206 HydrophobicContact CB-CD1 4.3Å; E156-F206 HydrophobicContact CG-CB 4.46Å; E156-F206 HydrophobicContact CG-CD1 3.95Å; E156-F206 WeakPolarHBondContact OE1-CA 3.19Å; E156-F206 WeakPolarHBondContact OE1-CB 3.49Å; E156-F206 WeakPolarHBondContact OE2-CA 2.98Å; E156-F206 WeakPolarHBondContact OE2-CD1 3.35Å; E156-P207 VanDerWaalsContact OE1-CD 3.31Å; E156-P207 WeakPolarHBondContact OE1-CD 3.48Å; E156-P207 VanDerWaalsContact OE1-N 3.08Å; E156-S208 PolarHBondContact OE1-N 2.95Å; E156-A209 HydrophobicContact CG-CB 3.79Å; E156-A209 PolarHBondContact OE1-N 3.29Å
157	I	98.8	Very high	98.6	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-40.3	-178.9	-70.7	-56.1	0	0	0	111.8	K135 L138 A139 I142 A153 H154 S160 A161	K135-I157 HydrophobicContact CB-CG2 3.74Å; L138-I157 HydrophobicContact CB-CD1 3.48Å; L138-I157 VanDerWaalsContact CB-CD1 3.48Å; L138-I157 HydrophobicContact CB-CG1 3.82Å; L138-I157 HydrophobicContact CB-CG2 4.33Å; L138-I157 HydrophobicContact CD1-CD1 4.36Å; L138-I157 HydrophobicContact CD1-CG2 4.28Å; L138-I157 HydrophobicContact CG-CD1 4.5Å; A139-I157 HydrophobicContact CB-CG1 4.17Å; I142-I157 HydrophobicContact CD1-CD1 3.32Å; I142-I157 HydrophobicContact CD1-CG1 3.76Å; I142-I157 HydrophobicContact CG1-CD1 4.27Å; A153-I157 WeakPolarHBondContact O-CG1 3.49Å; A153-I157 PolarHBondContact O-N 3.2Å; H154-I157 PolarHBondContact O-N 2.83Å; I157-S160 PolarHBondContact O-N 3.39Å; I157-A161 VanDerWaalsContact O-CB 3.27Å; I157-A161 WeakPolarHBondContact O-CB 3.28Å; I157-A161 PolarHBondContact O-N 2.93Å
158	L	98.8	Very high	98.7	Very high	68 Å²	68	31.1 Å²	31.1	36%	0.356	15%	0.152	S	C	.	.	H	α-helix	trans	-61.5	-50	173	-68.3	178.3	0	0	0	110.9	I132 H154 E156 S160 A161 F162	I132-L158 HydrophobicContact CD1-CD2 3.97Å; H154-L158 WeakPolarHBondContact O-CG 3.47Å; H154-L158 PolarHBondContact O-N 2.85Å; H154-L158 VanDerWaalsContact O-N 3.09Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.46Å; L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 3.31Å; L158-A161 PolarHBondContact O-N 2.8Å; L158-F162 HydrophobicContact CB-CE2 3.99Å; L158-F162 HydrophobicContact CB-CZ 4.2Å; L158-F162 HydrophobicContact CD2-CZ 4.49Å; L158-F162 WeakPolarHBondContact O-CB 3.47Å; L158-F162 VanDerWaalsContact O-CD2 3.24Å; L158-F162 WeakPolarHBondContact O-CD2 3.18Å; L158-F162 WeakPolarHBondContact O-CG 3.47Å; L158-F162 PolarHBondContact O-N 3.22Å
159	Y	98.6	Very high	98.7	Very high	30 Å²	30	34.2 Å²	34.2	12%	0.118	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-39.5	177.8	-164.6	-124.2	0	0	0	112.4	G155 E156 F162 F163 A209 S499 V500	G155-Y159 WeakPolarHBondContact O-CB 3.12Å; G155-Y159 PolarHBondContact O-N 2.95Å; E156-Y159 CarbonylContact O-C 3.53Å; E156-Y159 PolarHBondContact O-N 2.86Å; Y159-F162 PolarHBondContact O-N 3.4Å; Y159-F163 HydrophobicContact CD1-CD2 4.39Å; Y159-F163 AromaticContact CD1-CE2 3.69Å; Y159-F163 HydrophobicContact CD1-CE2 3.69Å; Y159-F163 HydrophobicContact CE1-CD2 4.39Å; Y159-F163 AromaticContact CE1-CE2 3.31Å; Y159-F163 HydrophobicContact CE1-CE2 3.31Å; Y159-F163 AromaticContact CE1-CZ 3.78Å; Y159-F163 HydrophobicContact CE1-CZ 3.78Å; Y159-F163 HydrophobicContact CE2-CE2 4.22Å; Y159-F163 HydrophobicContact CE2-CZ 4.33Å; Y159-F163 HydrophobicContact CG-CE2 4.29Å; Y159-F163 AromaticContact CZ-CE2 3.6Å; Y159-F163 AromaticContact CZ-CZ 3.63Å; Y159-F163 VanDerWaalsContact O-CD2 3.23Å; Y159-F163 WeakPolarHBondContact O-CD2 3.43Å; Y159-F163 PolarHBondContact O-N 2.86Å; Y159-A209 HydrophobicContact CD1-CB 4.04Å; Y159-S499 PolarHBondContact OH-N 3.15Å; Y159-S499 PolarHBondContact OH-O 2.86Å; Y159-V500 HydrophobicContact CD2-CG1 3.79Å; Y159-V500 HydrophobicContact CE2-CG1 3.58Å
160	S	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-43.5	178.2	-171	0	0	0	0	111.6	M131 E156 I157 L158 F163 S208 A209 T212	M131-S160 WeakPolarHBondContact CE-OG 3.29Å; E156-S160 WeakPolarHBondContact O-CB 3.44Å; E156-S160 PolarHBondContact O-N 2.97Å; I157-S160 PolarHBondContact O-N 3.39Å; L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 3.31Å; S160-F163 PolarHBondContact O-N 2.85Å; S160-S208 VanDerWaalsContact OG-C 3.23Å; S160-S208 PolarHBondContact OG-O 3.34Å; S160-S208 PolarHBondContact OG-OG 3.27Å; S160-A209 PolarHBondContact OG-N 2.97Å; S160-T212 WeakPolarHBondContact CA-OG1 3.18Å; S160-T212 VanDerWaalsContact O-CB 3.23Å; S160-T212 WeakPolarHBondContact O-CB 3.46Å; S160-T212 PolarHBondContact O-OG1 3.07Å; S160-T212 WeakPolarHBondContact OG-CG2 3.49Å; S160-T212 PolarHBondContact OG-OG1 2.98Å
161	A	98.9	Very high	98.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-45.1	174.9	0	0	0	0	0	111.1	Y128 M131 I132 I157 L158 F163 L164 E165	Y128-A161 HydrophobicContact CD2-CB 3.7Å; Y128-A161 WeakPolarHBondContact CD2-O 2.88Å; Y128-A161 HydrophobicContact CE2-CB 3.85Å; M131-A161 HydrophobicContact CB-CB 4.04Å; M131-A161 HydrophobicContact CE-CB 4.17Å; M131-A161 HydrophobicContact SD-CB 4.35Å; I132-A161 HydrophobicContact CD1-CB 3.7Å; I132-A161 HydrophobicContact CG1-CB 4.27Å; I157-A161 VanDerWaalsContact O-CB 3.27Å; I157-A161 WeakPolarHBondContact O-CB 3.28Å; I157-A161 PolarHBondContact O-N 2.93Å; L158-A161 PolarHBondContact O-N 2.8Å; A161-F163 VanDerWaalsContact C-N 3.25Å; A161-F163 PolarHBondContact O-N 3.24Å; A161-L164 WeakPolarHBondContact O-CB 3.46Å; A161-L164 PolarHBondContact O-N 2.91Å; A161-E165 PolarHBondContact O-N 2.83Å
162	F	98.9	Very high	98.8	Very high	76 Å²	76	31.3 Å²	31.3	33%	0.333	15%	0.149	S	C	.	.	H	α-helix	trans	-59.9	-31.4	179	-63.7	-28.1	0	0	0	113.2	Y128 L158 Y159 E165 W166 V500	Y128-F162 HydrophobicContact CE2-CD1 4.12Å; L158-F162 HydrophobicContact CB-CE2 3.99Å; L158-F162 HydrophobicContact CB-CZ 4.2Å; L158-F162 HydrophobicContact CD2-CZ 4.49Å; L158-F162 WeakPolarHBondContact O-CB 3.47Å; L158-F162 VanDerWaalsContact O-CD2 3.24Å; L158-F162 WeakPolarHBondContact O-CD2 3.18Å; L158-F162 WeakPolarHBondContact O-CG 3.47Å; L158-F162 PolarHBondContact O-N 3.22Å; Y159-F162 PolarHBondContact O-N 3.4Å; F162-E165 PolarHBondContact O-N 2.82Å; F162-W166 VanDerWaalsContact O-CB 3.23Å; F162-W166 WeakPolarHBondContact O-CB 3.43Å; F162-W166 PolarHBondContact O-N 2.8Å; F162-V500 HydrophobicContact CB-CG1 3.79Å; F162-V500 HydrophobicContact CB-CG2 4.14Å
163	F	98.9	Very high	98.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-38.6	171.4	-81.8	-61.8	0	0	0	113.3	Y159 S160 A161 E165 F167 R213 V500	Y159-F163 HydrophobicContact CD1-CD2 4.39Å; Y159-F163 AromaticContact CD1-CE2 3.69Å; Y159-F163 HydrophobicContact CD1-CE2 3.69Å; Y159-F163 HydrophobicContact CE1-CD2 4.39Å; Y159-F163 AromaticContact CE1-CE2 3.31Å; Y159-F163 HydrophobicContact CE1-CE2 3.31Å; Y159-F163 AromaticContact CE1-CZ 3.78Å; Y159-F163 HydrophobicContact CE1-CZ 3.78Å; Y159-F163 HydrophobicContact CE2-CE2 4.22Å; Y159-F163 HydrophobicContact CE2-CZ 4.33Å; Y159-F163 HydrophobicContact CG-CE2 4.29Å; Y159-F163 AromaticContact CZ-CE2 3.6Å; Y159-F163 AromaticContact CZ-CZ 3.63Å; Y159-F163 VanDerWaalsContact O-CD2 3.23Å; Y159-F163 WeakPolarHBondContact O-CD2 3.43Å; Y159-F163 PolarHBondContact O-N 2.86Å; S160-F163 PolarHBondContact O-N 2.85Å; A161-F163 VanDerWaalsContact C-N 3.25Å; A161-F163 PolarHBondContact O-N 3.24Å; F163-E165 VanDerWaalsContact C-N 3.33Å; F163-F167 HydrophobicContact CD1-CD2 4.43Å; F163-F167 AromaticContact CD1-CE2 3.94Å; F163-F167 HydrophobicContact CD1-CE2 3.94Å; F163-F167 WeakPolarHBondContact O-CB 3.45Å; F163-F167 VanDerWaalsContact O-CD2 3.26Å; F163-F167 WeakPolarHBondContact O-CD2 3.43Å; F163-F167 PolarHBondContact O-N 2.78Å; F163-R213 HydrophobicContact CB-CB 4.5Å; F163-R213 HydrophobicContact CD1-CB 3.8Å; F163-R213 HydrophobicContact CD2-CB 3.64Å; F163-R213 HydrophobicContact CE1-CB 3.79Å; F163-R213 HydrophobicContact CE2-CB 3.6Å; F163-R213 HydrophobicContact CG-CB 3.73Å; F163-R213 HydrophobicContact CZ-CB 3.69Å; F163-V500 HydrophobicContact CD1-CB 3.82Å; F163-V500 HydrophobicContact CD1-CG1 3.74Å; F163-V500 HydrophobicContact CD2-CG1 3.96Å; F163-V500 HydrophobicContact CE1-CB 3.79Å; F163-V500 HydrophobicContact CE1-CG1 3.75Å; F163-V500 HydrophobicContact CE2-CG1 3.99Å; F163-V500 HydrophobicContact CG-CB 4.38Å; F163-V500 HydrophobicContact CG-CG1 3.84Å; F163-V500 HydrophobicContact CZ-CB 4.35Å; F163-V500 HydrophobicContact CZ-CG1 3.89Å
164	L	98.9	Very high	98.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-39	175.1	-65	-172.7	0	0	0	111.2	L124 W127 M131 A161 S168 T212	L124-L164 HydrophobicContact CD2-CD2 4.27Å; W127-L164 HydrophobicContact CB-CD1 4.09Å; W127-L164 HydrophobicContact CD2-CD1 3.56Å; W127-L164 HydrophobicContact CD2-CD2 4.49Å; W127-L164 HydrophobicContact CE3-CD1 3.94Å; W127-L164 HydrophobicContact CE3-CD2 4.06Å; W127-L164 HydrophobicContact CG-CD1 3.62Å; W127-L164 HydrophobicContact CZ3-CD2 4.17Å; M131-L164 HydrophobicContact CG-CD1 4.4Å; M131-L164 HydrophobicContact SD-CD1 3.39Å; M131-L164 WeakPolarHBondContact SD-CD1 3.45Å; M131-L164 HydrophobicContact SD-CG 4.22Å; A161-L164 WeakPolarHBondContact O-CB 3.46Å; A161-L164 PolarHBondContact O-N 2.91Å; L164-S168 WeakPolarHBondContact O-CB 3.37Å; L164-S168 PolarHBondContact O-N 2.69Å; L164-T212 HydrophobicContact CD1-CG2 4.36Å; L164-T212 HydrophobicContact CD2-CG2 4.17Å; L164-T212 HydrophobicContact CG-CG2 4.08Å
165	E	98.9	Very high	98.8	Very high	46 Å²	46	41.6 Å²	41.6	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-54.4	174.3	-174.5	171.1	-139.9	0	0	111.7	R125 Y128 A161 F162 F163 F167 S168 E169	R125-E165 IonicContact CZ-OE1 3.88Å; R125-E165 VanDerWaalsContact CZ-OE1 3.26Å; R125-E165 IonicContact NH1-OE1 2.63Å; R125-E165 PolarHBondContact NH1-OE1 2.75Å; R125-E165 IonicContact NH2-OE1 3.33Å; R125-E165 PolarHBondContact NH2-OE1 3.32Å; Y128-E165 HydrophobicContact CD1-CB 4.21Å; Y128-E165 HydrophobicContact CD1-CG 4.37Å; Y128-E165 HydrophobicContact CD2-CB 3.85Å; Y128-E165 HydrophobicContact CE1-CB 4.36Å; Y128-E165 HydrophobicContact CE1-CG 4.26Å; Y128-E165 HydrophobicContact CE2-CB 4.04Å; Y128-E165 HydrophobicContact CG-CB 3.93Å; Y128-E165 PolarHBondContact OH-OE2 2.9Å; A161-E165 PolarHBondContact O-N 2.83Å; F162-E165 PolarHBondContact O-N 2.82Å; F163-E165 VanDerWaalsContact C-N 3.33Å; E165-F167 PolarHBondContact O-N 3.39Å; E165-S168 WeakPolarHBondContact O-CB 3.33Å; E165-S168 PolarHBondContact O-N 3.44Å; E165-S168 VanDerWaalsContact O-N 3.15Å; E165-E169 PolarHBondContact O-N 2.91Å
166	W	98.9	Very high	98.8	Very high	53 Å²	53	41.6 Å²	41.6	20%	0.201	19%	0.19	C	C	.	.	H	α-helix	trans	-55	-52.8	179.7	176	-99.3	0	0	0	111.6	F162 S168 E169 E170 V500 E501 S517	F162-W166 VanDerWaalsContact O-CB 3.23Å; F162-W166 WeakPolarHBondContact O-CB 3.43Å; F162-W166 PolarHBondContact O-N 2.8Å; W166-S168 VanDerWaalsContact C-N 3.31Å; W166-S168 PolarHBondContact O-N 3.5Å; W166-E169 WeakPolarHBondContact O-CA 3.42Å; W166-E169 WeakPolarHBondContact O-CB 3.37Å; W166-E169 PolarHBondContact O-N 3.33Å; W166-E170 HydrophobicContact CZ2-CG 4.34Å; W166-E170 PolarHBondContact O-N 3.44Å; W166-V500 HydrophobicContact CB-CB 4.39Å; W166-V500 HydrophobicContact CB-CG2 4.05Å; W166-V500 HydrophobicContact CG-CG2 4.34Å; W166-E501 HydrophobicContact CD2-CB 4.46Å; W166-E501 HydrophobicContact CE3-CB 3.99Å; W166-E501 HydrophobicContact CH2-CB 3.54Å; W166-E501 HydrophobicContact CZ2-CB 4.05Å; W166-E501 HydrophobicContact CZ3-CB 3.51Å; W166-S517 VanDerWaalsContact NE1-C 3.27Å; W166-S517 PolarHBondContact NE1-O 3.34Å
167	F	98.9	Very high	98.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.7	-22.4	-179.6	-73	-61.9	0	0	0	113.4	F163 E165 E169 E170 A171 R213 G216 A217 A220 I521	F163-F167 HydrophobicContact CD1-CD2 4.43Å; F163-F167 AromaticContact CD1-CE2 3.94Å; F163-F167 HydrophobicContact CD1-CE2 3.94Å; F163-F167 WeakPolarHBondContact O-CB 3.45Å; F163-F167 VanDerWaalsContact O-CD2 3.26Å; F163-F167 WeakPolarHBondContact O-CD2 3.43Å; F163-F167 PolarHBondContact O-N 2.78Å; E165-F167 PolarHBondContact O-N 3.39Å; F167-E169 PolarHBondContact O-N 3.08Å; F167-E170 HydrophobicContact CD1-CB 4.18Å; F167-E170 HydrophobicContact CD1-CG 4.43Å; F167-E170 PolarHBondContact O-N 3.32Å; F167-A171 PolarHBondContact O-N 2.79Å; F167-R213 WeakPolarHBondContact CE2-O 3.39Å; F167-G216 WeakPolarHBondContact CB-O 3.47Å; F167-A217 HydrophobicContact CD1-CB 3.84Å; F167-A217 HydrophobicContact CD2-CB 4.06Å; F167-A217 HydrophobicContact CE1-CB 3.66Å; F167-A217 HydrophobicContact CE2-CB 3.87Å; F167-A217 HydrophobicContact CG-CB 4.06Å; F167-A217 HydrophobicContact CZ-CB 3.67Å; F167-A220 HydrophobicContact CB-CB 4Å; F167-A220 WeakPolarHBondContact O-CB 3.34Å; F167-I521 HydrophobicContact CE1-CB 4.44Å
168	S	98.9	Very high	98.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-38.7	164.8	138	0	0	0	0	110.7	S121 L164 E165 W166	S121-S168 WeakPolarHBondContact CB-O 3.43Å; S121-S168 PolarHBondContact O-OG 3.16Å; S121-S168 PolarHBondContact OG-O 2.94Å; S121-S168 PolarHBondContact OG-OG 2.8Å; L164-S168 WeakPolarHBondContact O-CB 3.37Å; L164-S168 PolarHBondContact O-N 2.69Å; E165-S168 WeakPolarHBondContact O-CB 3.33Å; E165-S168 PolarHBondContact O-N 3.44Å; E165-S168 VanDerWaalsContact O-N 3.15Å; W166-S168 VanDerWaalsContact C-N 3.31Å; W166-S168 PolarHBondContact O-N 3.5Å
169	E	98.9	Very high	98.8	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-77.2	-40.8	-179.8	-64.2	176.8	-175.4	0	0	112.2	R125 E165 W166 F167 A171 R172 R173	R125-E169 IonicContact CZ-OE1 3.09Å; R125-E169 IonicContact NH2-OE1 2.6Å; R125-E169 PolarHBondContact NH2-OE1 2.8Å; E165-E169 PolarHBondContact O-N 2.91Å; W166-E169 WeakPolarHBondContact O-CA 3.42Å; W166-E169 WeakPolarHBondContact O-CB 3.37Å; W166-E169 PolarHBondContact O-N 3.33Å; F167-E169 PolarHBondContact O-N 3.08Å; E169-A171 VanDerWaalsContact C-N 3.26Å; E169-A171 PolarHBondContact O-N 2.83Å; E169-R172 PolarHBondContact O-N 3.45Å; E169-R173 PolarHBondContact O-NH1 2.75Å
170	E	98.9	Very high	98.8	Very high	25 Å²	25	59.8 Å²	59.8	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-25.5	177.3	-70.9	-60.6	99.3	0	0	113.1	W166 F167 R172 R173 I521	W166-E170 HydrophobicContact CZ2-CG 4.34Å; W166-E170 PolarHBondContact O-N 3.44Å; F167-E170 HydrophobicContact CD1-CB 4.18Å; F167-E170 HydrophobicContact CD1-CG 4.43Å; F167-E170 PolarHBondContact O-N 3.32Å; E170-R172 PolarHBondContact O-N 3.12Å; E170-R173 PolarHBondContact O-N 3.19Å; E170-R173 WeakPolarHBondContact OE1-CD 3.09Å; E170-I521 HydrophobicContact CB-CD1 4.05Å
171	A	98.9	Very high	98.7	Very high	2 Å²	2	61.1 Å²	61.1	2%	0.017	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.2	177.2	0	0	0	0	0	113.4	A117 F167 E169 A220	A117-A171 VanDerWaalsContact CB-O 3.26Å; A117-A171 WeakPolarHBondContact CB-O 3.43Å; F167-A171 PolarHBondContact O-N 2.79Å; E169-A171 VanDerWaalsContact C-N 3.26Å; E169-A171 PolarHBondContact O-N 2.83Å; A171-A220 HydrophobicContact CB-CB 3.81Å
172	R	98.7	Very high	98.7	Very high	138 Å²	138	67.6 Å²	67.6	52%	0.521	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.1	-177.5	-59.7	179.3	67.1	-167.7	-4.3	114	A117 E169 E170	A117-R172 HydrophobicContact CB-CG 4.34Å; E169-R172 PolarHBondContact O-N 3.45Å; E170-R172 PolarHBondContact O-N 3.12Å
173	R	98.8	Very high	98.6	Very high	117 Å²	117	65.9 Å²	65.9	44%	0.442	33%	0.331	S	S	.	.			trans	-118.1	16.6	-172.5	-64.1	175.3	168.7	84.6	-8.9	113	E169 E170 Y175	E169-R173 PolarHBondContact O-NH1 2.75Å; E170-R173 PolarHBondContact O-N 3.19Å; E170-R173 WeakPolarHBondContact OE1-CD 3.09Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-Y175 HydrophobicContact CB-CE2 4.05Å; R173-Y175 VanDerWaalsContact O-CD2 3.25Å; R173-Y175 WeakPolarHBondContact O-CD2 3.31Å; R173-Y175 WeakPolarHBondContact O-CE2 3.27Å; R173-Y175 PolarHBondContact O-N 3.01Å
174	V	98.8	Very high	98.5	Very high	43 Å²	43	75.1 Å²	75.1	26%	0.261	37%	0.371	S	S	.	.			trans	-75.7	86.9	171	-180	0	0	0	0	109.2	K192 I521 L525	V174-K192 HydrophobicContact CG1-CB 3.52Å; V174-K192 HydrophobicContact CG1-CD 4.05Å; V174-K192 HydrophobicContact CG1-CG 4.33Å; V174-I521 HydrophobicContact CG2-CD1 3.53Å; V174-I521 HydrophobicContact CG2-CG1 4.26Å; V174-L525 HydrophobicContact CB-CD1 4.49Å; V174-L525 HydrophobicContact CG1-CD1 3.64Å; V174-L525 HydrophobicContact CG1-CD2 3.96Å; V174-L525 HydrophobicContact CG1-CG 4.49Å; V174-L525 HydrophobicContact CG2-CD1 4.02Å
175	Y	98.8	Very high	98.5	Very high	158 Å²	158	78.3 Å²	78.3	62%	0.62	39%	0.388	S	S	*	.			trans	-87.6	142.1	178.6	-52.8	-55.5	0	0	0	111.7	R173 K192	R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-Y175 HydrophobicContact CB-CE2 4.05Å; R173-Y175 VanDerWaalsContact O-CD2 3.25Å; R173-Y175 WeakPolarHBondContact O-CD2 3.31Å; R173-Y175 WeakPolarHBondContact O-CE2 3.27Å; R173-Y175 PolarHBondContact O-N 3.01Å; Y175-K192 VanDerWaalsContact O-CD 3.29Å; Y175-K192 WeakPolarHBondContact O-CD 3.44Å; Y175-K192 VanDerWaalsContact O-CE 3.31Å; Y175-K192 WeakPolarHBondContact O-CE 3.19Å; Y175-K192 WeakPolarHBondContact O-CG 3.28Å
176	G	98.6	Very high	98.4	Very high	41 Å²	41	80.3 Å²	80.3	42%	0.423	39%	0.394	S	S	.	.			trans	-91.7	-175.3	163.2	0	0	0	0	0	111.6	V190	G176-V190 CarbonylContact C-O 3.56Å; G176-V190 WeakPolarHBondContact CA-O 3.29Å
177	D	98.8	Very high	98.4	Very high	83 Å²	83	83.5 Å²	83.5	44%	0.444	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.8	-177.2	-50	-85.4	0	0	0	111.4	I179 L189 V190	D177-I179 HydrophobicContact CB-CG1 4.19Å; D177-L189 CarbonylContact O-C 3.49Å; D177-L189 WeakPolarHBondContact O-CA 3.15Å; D177-V190 HydrophobicContact CB-CB 3.99Å; D177-V190 HydrophobicContact CB-CG2 4.27Å; D177-V190 PolarHBondContact N-O 2.77Å; D177-V190 PolarHBondContact O-N 2.77Å
178	I	98.6	Very high	98.4	Very high	140 Å²	140	83.7 Å²	83.7	72%	0.718	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	116.5	165.6	-56.8	-175.9	0	0	0	107.1	A188 L189	I178-A188 WeakPolarHBondContact CA-O 3.27Å; I178-L189 HydrophobicContact CB-CD2 4.39Å; I178-L189 HydrophobicContact CD1-CD2 4.18Å; I178-L189 HydrophobicContact CG1-CD2 3.78Å; I178-L189 HydrophobicContact CG2-CD2 4.14Å
179	I	98.6	Very high	98.3	Very high	87 Å²	87	86 Å²	86	45%	0.446	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.9	-171.3	-54.9	173.5	0	0	0	108.9	D177 A188 V190	D177-I179 HydrophobicContact CB-CG1 4.19Å; I179-A188 HydrophobicContact CB-CB 4.03Å; I179-A188 PolarHBondContact N-O 3Å; I179-V190 HydrophobicContact CD1-CG2 3.79Å
180	H	98	Very high	98.3	Very high	176 Å²	176	83.6 Å²	83.6	82%	0.815	41%	0.41	S	S	*	.			trans	-75	133.5	174.4	-158.1	68.2	0	0	0	110.2
181	T	97.5	Very high	98.3	Very high	28 Å²	28	86.2 Å²	86.2	17%	0.172	42%	0.424	C	S	.	.			trans	-116.1	149.9	179.7	57.6	0	0	0	0	110.9	A183 A188	T181-A183 VanDerWaalsContact C-N 3.26Å; T181-A183 PolarHBondContact O-N 3.46Å; T181-A183 PolarHBondContact OG1-O 2.77Å; T181-A188 HydrophobicContact CG2-CB 3.59Å
182	P	97.9	Very high	98.3	Very high	137 Å²	137	89.1 Å²	89.1	89%	0.89	44%	0.436	S	S	*	.	S	Bend	trans	-58.7	-35.7	175.7	-26.1	34.8	0	0	0	113.9
183	A	97.6	Very high	98.4	Very high	40 Å²	40	85.3 Å²	85.3	33%	0.331	42%	0.424	S	S	.	.			trans	-73	127.4	179.4	0	0	0	0	0	110.8	T181 D185 R186	T181-A183 VanDerWaalsContact C-N 3.26Å; T181-A183 PolarHBondContact O-N 3.46Å; T181-A183 PolarHBondContact OG1-O 2.77Å; A183-D185 WeakPolarHBondContact CB-OD1 3.41Å; A183-R186 HydrophobicContact CB-CG 4.05Å
184	K	97.4	Very high	98.4	Very high	196 Å²	196	80.9 Å²	80.9	85%	0.852	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.2	-174.6	-64.5	179.7	179.8	178.3	0	113.7	R186 R187	K184-R186 VanDerWaalsContact C-N 3.28Å; K184-R186 PolarHBondContact O-N 3.21Å; K184-R187 PolarHBondContact O-NH1 3.19Å
185	D	97.5	Very high	98.4	Very high	66 Å²	66	79.9 Å²	79.9	35%	0.353	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	7.4	-174.2	71	-34.1	0	0	0	114.2	A183 G533 G534 L535	A183-D185 WeakPolarHBondContact CB-OD1 3.41Å; D185-G533 CarbonylContact O-C 3.59Å; D185-G533 WeakPolarHBondContact O-CA 3.49Å; D185-G534 PolarHBondContact O-N 3.2Å; D185-L535 PolarHBondContact O-N 3.11Å; D185-L535 VanDerWaalsContact O-N 3.11Å
186	R	97.5	Very high	98.4	Very high	88 Å²	88	72.5 Å²	72.5	33%	0.332	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.3	-174.8	67.9	-164.8	67.6	-155.5	-4	114.2	A183 K184 Y532	A183-R186 HydrophobicContact CB-CG 4.05Å; K184-R186 VanDerWaalsContact C-N 3.28Å; K184-R186 PolarHBondContact O-N 3.21Å; R186-Y532 CarbonylContact C-O 3.54Å; R186-Y532 WeakPolarHBondContact CA-O 3.49Å; R186-Y532 WeakPolarHBondContact CB-O 3.33Å
187	R	98.1	Very high	98.4	Very high	120 Å²	120	70.6 Å²	70.6	45%	0.453	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.3	166.5	-61	-64	177.5	-86.2	-4.1	109.4	K184 Y532 L535	K184-R187 PolarHBondContact O-NH1 3.19Å; R187-Y532 PolarHBondContact N-O 3.24Å; R187-Y532 PolarHBondContact O-N 3.37Å; R187-L535 HydrophobicContact CB-CD1 4.38Å; R187-L535 HydrophobicContact CG-CD1 3.57Å
188	A	98.6	Very high	98.4	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.033	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.4	173	0	0	0	0	0	110.2	I178 I179 T181 Y529	I178-A188 WeakPolarHBondContact CA-O 3.27Å; I179-A188 HydrophobicContact CB-CB 4.03Å; I179-A188 PolarHBondContact N-O 3Å; T181-A188 HydrophobicContact CG2-CB 3.59Å; A188-Y529 HydrophobicContact CB-CD2 4.41Å; A188-Y529 HydrophobicContact CB-CE2 3.58Å
189	L	98.8	Very high	98.4	Very high	50 Å²	50	60 Å²	60	26%	0.262	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.8	173.8	-48.9	172.9	0	0	0	108.8	D177 I178 Y529 V530	D177-L189 CarbonylContact O-C 3.49Å; D177-L189 WeakPolarHBondContact O-CA 3.15Å; I178-L189 HydrophobicContact CB-CD2 4.39Å; I178-L189 HydrophobicContact CD1-CD2 4.18Å; I178-L189 HydrophobicContact CG1-CD2 3.78Å; I178-L189 HydrophobicContact CG2-CD2 4.14Å; L189-Y529 CarbonylContact O-C 3.53Å; L189-Y529 WeakPolarHBondContact O-CA 3.32Å; L189-V530 HydrophobicContact CB-CB 4.25Å; L189-V530 PolarHBondContact N-O 3.15Å; L189-V530 PolarHBondContact O-N 2.73Å
190	V	98.9	Very high	98.4	Very high	17 Å²	17	55.9 Å²	55.9	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.9	169.5	-177.8	0	0	0	0	108	G176 D177 I179 L527 K528	G176-V190 CarbonylContact C-O 3.56Å; G176-V190 WeakPolarHBondContact CA-O 3.29Å; D177-V190 HydrophobicContact CB-CB 3.99Å; D177-V190 HydrophobicContact CB-CG2 4.27Å; D177-V190 PolarHBondContact N-O 2.77Å; D177-V190 PolarHBondContact O-N 2.77Å; I179-V190 HydrophobicContact CD1-CG2 3.79Å; V190-L527 HydrophobicContact CG1-CB 4.29Å; V190-L527 HydrophobicContact CG1-CD2 4.35Å; V190-K528 CarbonylContact C-O 3.52Å; V190-K528 WeakPolarHBondContact CA-O 3.44Å
191	L	98.8	Very high	98.5	Very high	80 Å²	80	48.3 Å²	48.3	42%	0.419	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	149	173.7	-52.8	179.6	0	0	0	109.6	L527 K528 V530	L191-L527 CarbonylContact O-C 3.58Å; L191-L527 WeakPolarHBondContact O-CA 3.28Å; L191-K528 HydrophobicContact CB-CB 4.4Å; L191-K528 PolarHBondContact N-O 3.33Å; L191-K528 PolarHBondContact O-N 3.17Å; L191-V530 HydrophobicContact CD1-CG2 4.1Å; L191-V530 HydrophobicContact CG-CG2 4.34Å
192	K	98.9	Very high	98.5	Very high	63 Å²	63	47.3 Å²	47.3	27%	0.274	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.1	168.8	-60.4	-163.2	177.2	-173.7	0	109.6	V174 Y175 D522 L525 E526 L527	V174-K192 HydrophobicContact CG1-CB 3.52Å; V174-K192 HydrophobicContact CG1-CD 4.05Å; V174-K192 HydrophobicContact CG1-CG 4.33Å; Y175-K192 VanDerWaalsContact O-CD 3.29Å; Y175-K192 WeakPolarHBondContact O-CD 3.44Å; Y175-K192 VanDerWaalsContact O-CE 3.31Å; Y175-K192 WeakPolarHBondContact O-CE 3.19Å; Y175-K192 WeakPolarHBondContact O-CG 3.28Å; K192-D522 IonicContact NZ-OD1 2.74Å; K192-D522 PolarHBondContact NZ-OD1 3.24Å; K192-L525 HydrophobicContact CB-CD1 4.35Å; K192-L525 HydrophobicContact CB-CD2 4.37Å; K192-L525 HydrophobicContact CD-CD1 4.1Å; K192-E526 WeakPolarHBondContact CA-O 3.25Å; K192-L527 HydrophobicContact CD-CD2 4.05Å; K192-L527 HydrophobicContact CG-CD2 3.67Å
193	Q	98.9	Very high	98.5	Very high	58 Å²	58	41.8 Å²	41.8	27%	0.271	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.3	-177.5	-59.8	-167.6	-75.7	0	0	111.3	L525 E526	Q193-L525 CarbonylContact O-C 3.57Å; Q193-L525 WeakPolarHBondContact O-CA 3.3Å; Q193-E526 PolarHBondContact N-O 3.25Å; Q193-E526 PolarHBondContact O-N 2.97Å
194	P	98.9	Very high	98.6	Very high	23 Å²	23	42 Å²	42	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	140.2	179.3	23	-32.8	0	0	0	112.2	F109 R113 A221 C223	F109-P194 HydrophobicContact CE2-CB 4.02Å; F109-P194 HydrophobicContact CE2-CG 3.93Å; F109-P194 HydrophobicContact CZ-CG 4.43Å; R113-P194 HydrophobicContact CB-CG 4.11Å; P194-A221 WeakPolarHBondContact CB-O 3.43Å; P194-C223 VanDerWaalsContact CB-SG 3.56Å
195	I	98.8	Very high	98.6	Very high	23 Å²	23	33 Å²	33	12%	0.118	16%	0.156	C	C	.	.			trans	-62.5	-42.7	-179.3	-67.4	167.9	0	0	0	111.9	C223 S278 K279 R302 E523 Y524 E526	I195-C223 PolarHBondContact N-SG 3.15Å; I195-S278 VanDerWaalsContact CG2-CB 3.48Å; I195-K279 HydrophobicContact CD1-CB 4.48Å; I195-K279 HydrophobicContact CD1-CD 4.36Å; I195-K279 HydrophobicContact CG2-CB 4.17Å; I195-R302 HydrophobicContact CD1-CB 4.13Å; I195-R302 HydrophobicContact CD1-CG 4.05Å; I195-E523 VanDerWaalsContact CD1-O 3.25Å; I195-E523 WeakPolarHBondContact CD1-O 3.17Å; I195-Y524 VanDerWaalsContact CD1-C 3.44Å; I195-Y524 WeakPolarHBondContact CG1-O 3.25Å; I195-Y524 PolarHBondContact N-O 3.28Å; I195-E526 HydrophobicContact CG1-CG 3.96Å
196	G	98.8	Very high	98.6	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.031	15%	0.145	C	C	.	.			trans	143.4	-134.7	-174.7	0	0	0	0	0	113.9	C223 T224	G196-C223 VanDerWaalsContact O-CA 3.31Å; G196-C223 WeakPolarHBondContact O-CA 3.27Å; G196-C223 WeakPolarHBondContact O-CB 3.18Å; G196-C223 PolarHBondContact O-SG 2.93Å; G196-T224 PolarHBondContact O-N 2.99Å
197	V	98.9	Very high	98.7	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.7	172.3	-178.1	0	0	0	0	109.5	A105 Y106 F109 T224 V226 L276 V277 S278 K279	A105-V197 HydrophobicContact CB-CG1 3.72Å; A105-V197 HydrophobicContact CB-CG2 4.14Å; Y106-V197 VanDerWaalsContact CA-CG2 3.45Å; Y106-V197 HydrophobicContact CD2-CG2 4.05Å; Y106-V197 HydrophobicContact CG-CG2 4.48Å; F109-V197 HydrophobicContact CB-CG2 4.38Å; V197-T224 WeakPolarHBondContact CA-O 3.19Å; V197-V226 HydrophobicContact CG1-CG2 4.44Å; V197-L276 WeakPolarHBondContact CB-O 3.37Å; V197-V277 HydrophobicContact CG1-CG2 4.16Å; V197-S278 PolarHBondContact O-N 2.97Å; V197-K279 PolarHBondContact O-N 3.43Å
198	A	99	Very high	98.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	173	0	0	0	0	0	111.9	T224 V225 V226 K279 Y524	A198-T224 PolarHBondContact N-O 3.22Å; A198-V225 HydrophobicContact CB-CG1 4.36Å; A198-V225 VanDerWaalsContact O-CA 3.3Å; A198-V225 WeakPolarHBondContact O-CA 3.23Å; A198-V226 PolarHBondContact O-N 3.49Å; A198-K279 CarbonylContact C-O 3.57Å; A198-K279 VanDerWaalsContact CA-O 3.24Å; A198-K279 WeakPolarHBondContact CA-O 3.37Å; A198-K279 HydrophobicContact CB-CB 3.89Å; A198-K279 HydrophobicContact CB-CG 4Å; A198-Y524 HydrophobicContact CB-CD1 4.3Å; A198-Y524 HydrophobicContact CB-CE1 3.99Å
199	A	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.1	165.4	0	0	0	0	0	109.1	I271 V277 K279 I280 S281	A199-I271 HydrophobicContact CB-CB 4.07Å; A199-I271 HydrophobicContact CB-CD1 4.02Å; A199-I271 HydrophobicContact CB-CG1 3.91Å; A199-V277 HydrophobicContact CB-CG1 3.85Å; A199-K279 PolarHBondContact N-O 3.09Å; A199-I280 HydrophobicContact CB-CG1 4.39Å; A199-I280 CarbonylContact O-C 3.57Å; A199-I280 WeakPolarHBondContact O-CA 3.42Å; A199-S281 PolarHBondContact O-N 3.11Å
200	V	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.3	-177.1	174.1	0	0	0	0	109	T202 K214 V215 V225 V226 V227 K228 S281	V200-T202 HydrophobicContact CG1-CG2 3.97Å; V200-K214 HydrophobicContact CG1-CB 4.04Å; V200-K214 HydrophobicContact CG1-CD 3.7Å; V200-K214 HydrophobicContact CG2-CB 4.48Å; V200-V215 HydrophobicContact CG1-CG2 4.44Å; V200-V225 HydrophobicContact CG2-CB 4.15Å; V200-V225 HydrophobicContact CG2-CG1 4.06Å; V200-V226 PolarHBondContact N-O 3.06Å; V200-V227 HydrophobicContact CB-CG2 4.09Å; V200-V227 HydrophobicContact CG1-CG1 4.4Å; V200-V227 HydrophobicContact CG1-CG2 4.24Å; V200-V227 CarbonylContact O-C 3.59Å; V200-V227 VanDerWaalsContact O-CA 3.24Å; V200-V227 WeakPolarHBondContact O-CA 3.11Å; V200-K228 PolarHBondContact O-N 3.04Å; V200-S281 WeakPolarHBondContact CA-O 3.28Å
201	I	98.9	Very high	98.7	Very high	17 Å²	17	18.1 Å²	18.1	9%	0.087	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.8	-179.5	-58.2	172.3	0	0	0	108.2	K228 I271 S281 F282 T283 L292	I201-K228 WeakPolarHBondContact CA-O 3.24Å; I201-K228 HydrophobicContact CG1-CB 4.2Å; I201-I271 HydrophobicContact CD1-CD1 4.08Å; I201-I271 HydrophobicContact CD1-CG1 4.5Å; I201-I271 HydrophobicContact CG1-CD1 3.97Å; I201-S281 PolarHBondContact N-O 3.15Å; I201-F282 HydrophobicContact CB-CD2 3.8Å; I201-F282 HydrophobicContact CG2-CD2 3.65Å; I201-F282 HydrophobicContact CG2-CE2 3.94Å; I201-F282 WeakPolarHBondContact O-CA 3.44Å; I201-T283 PolarHBondContact O-N 3.28Å; I201-T283 VanDerWaalsContact O-N 3.07Å; I201-L292 HydrophobicContact CD1-CD1 3.8Å; I201-L292 HydrophobicContact CD1-CD2 4.31Å
202	T	98.8	Very high	98.7	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.037	7%	0.071	C	C	.	.			trans	-126.2	147.6	-169.4	49.9	0	0	0	0	112.6	V200 M210 I211 K214 K228 A230	V200-T202 HydrophobicContact CG1-CG2 3.97Å; T202-M210 HydrophobicContact CG2-CB 3.95Å; T202-M210 WeakPolarHBondContact CG2-O 3.17Å; T202-I211 HydrophobicContact CG2-CG1 3.89Å; T202-K214 HydrophobicContact CG2-CD 4.04Å; T202-K228 PolarHBondContact N-O 3.14Å; T202-A230 PolarHBondContact O-N 2.78Å; T202-A230 VanDerWaalsContact O-N 3.11Å
203	P	98.3	Very high	98.7	Very high	21 Å²	21	11.8 Å²	11.8	14%	0.136	6%	0.059	C	C	.	.			trans	-84.8	175.6	179	38.9	-38.6	0	0	0	111.2	N205 M210 T283	P203-N205 WeakPolarHBondContact CG-OD1 3.28Å; P203-M210 HydrophobicContact CG-CG 4Å; P203-T283 VanDerWaalsContact CD-O 3.26Å; P203-T283 WeakPolarHBondContact CD-O 3.41Å; P203-T283 HydrophobicContact CG-CG2 3.93Å
204	W	98.5	Very high	98.7	Very high	46 Å²	46	9 Å²	9	17%	0.174	5%	0.046	C	C	.	.	S	Bend	trans	-86.2	-13.9	-177.6	56.9	-100.9	0	0	0	115.2	F206 P207 A230 D232 T233 Q338 I384	W204-F206 PolarHBondContact O-N 2.95Å; W204-P207 WeakPolarHBondContact O-CD 3.38Å; W204-A230 HydrophobicContact CB-CB 3.76Å; W204-D232 HydrophobicContact CB-CB 4.08Å; W204-D232 HydrophobicContact CG-CB 4.45Å; W204-T233 WeakPolarHBondContact CA-OG1 3.49Å; W204-T233 HydrophobicContact CB-CG2 3.81Å; W204-T233 VanDerWaalsContact CB-OG1 3.25Å; W204-T233 WeakPolarHBondContact CB-OG1 3.45Å; W204-Q338 HydrophobicContact CH2-CB 3.51Å; W204-Q338 VanDerWaalsContact CH2-CD 3.48Å; W204-Q338 HydrophobicContact CH2-CG 3.76Å; W204-Q338 HydrophobicContact CZ3-CB 3.82Å; W204-Q338 HydrophobicContact CZ3-CG 4.29Å; W204-I384 HydrophobicContact CD2-CB 4.07Å; W204-I384 HydrophobicContact CD2-CD1 4.11Å; W204-I384 HydrophobicContact CD2-CG1 3.73Å; W204-I384 HydrophobicContact CD2-CG2 4.27Å; W204-I384 HydrophobicContact CE3-CB 3.9Å; W204-I384 HydrophobicContact CE3-CD1 3.79Å; W204-I384 HydrophobicContact CE3-CG1 3.79Å; W204-I384 HydrophobicContact CE3-CG2 4.47Å; W204-I384 HydrophobicContact CG-CD1 4.46Å; W204-I384 HydrophobicContact CG-CG1 4.14Å; W204-I384 HydrophobicContact CH2-CB 3.71Å; W204-I384 HydrophobicContact CH2-CG1 4.44Å; W204-I384 HydrophobicContact CH2-CG2 3.66Å; W204-I384 HydrophobicContact CZ2-CB 3.9Å; W204-I384 HydrophobicContact CZ2-CG1 4.42Å; W204-I384 HydrophobicContact CZ2-CG2 3.42Å; W204-I384 VanDerWaalsContact CZ2-CG2 3.42Å; W204-I384 HydrophobicContact CZ3-CB 3.72Å; W204-I384 HydrophobicContact CZ3-CD1 4.3Å; W204-I384 HydrophobicContact CZ3-CG1 4.16Å; W204-I384 HydrophobicContact CZ3-CG2 4.2Å
205	N	97.3	Very high	98.7	Very high	6 Å²	6	7.9 Å²	7.9	3%	0.032	4%	0.039	C	C	.	.	S	Bend	trans	-66.2	-37.6	-170.1	57.6	0.7	0	0	0	113.3	K148 P203 N335 Q338	K148-N205 PolarHBondContact NZ-O 3.43Å; P203-N205 WeakPolarHBondContact CG-OD1 3.28Å; N205-N335 PolarHBondContact O-ND2 3.16Å; N205-N335 VanDerWaalsContact O-ND2 3.15Å; N205-Q338 WeakPolarHBondContact CB-O 3.41Å
206	F	98.4	Very high	98.7	Very high	27 Å²	27	6.8 Å²	6.8	12%	0.118	3%	0.034	C	C	.	.	S	Bend	trans	-132.9	78.7	171.1	-65.8	-87.8	0	0	0	108.6	E156 W204 S208 A209 M210 T339	E156-F206 HydrophobicContact CB-CD1 4.3Å; E156-F206 HydrophobicContact CG-CB 4.46Å; E156-F206 HydrophobicContact CG-CD1 3.95Å; E156-F206 WeakPolarHBondContact OE1-CA 3.19Å; E156-F206 WeakPolarHBondContact OE1-CB 3.49Å; E156-F206 WeakPolarHBondContact OE2-CA 2.98Å; E156-F206 WeakPolarHBondContact OE2-CD1 3.35Å; W204-F206 PolarHBondContact O-N 2.95Å; F206-S208 PolarHBondContact O-N 2.82Å; F206-S208 VanDerWaalsContact O-N 3.12Å; F206-A209 HydrophobicContact CB-CB 4.25Å; F206-A209 PolarHBondContact O-N 3.16Å; F206-M210 HydrophobicContact CB-CG 3.99Å; F206-M210 HydrophobicContact CD2-CE 4.09Å; F206-M210 WeakPolarHBondContact O-CB 3.12Å; F206-M210 WeakPolarHBondContact O-CG 3.41Å; F206-M210 PolarHBondContact O-N 3.46Å; F206-T339 HydrophobicContact CE2-CG2 3.51Å; F206-T339 HydrophobicContact CZ-CG2 3.54Å
207	P	98.8	Very high	98.7	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.013	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.3	-165.7	31.6	-37.5	0	0	0	113.7	I142 E156 W204 I211 T233	I142-P207 HydrophobicContact CG1-CG 4.14Å; I142-P207 HydrophobicContact CG2-CG 4.2Å; E156-P207 VanDerWaalsContact OE1-CD 3.31Å; E156-P207 WeakPolarHBondContact OE1-CD 3.48Å; E156-P207 VanDerWaalsContact OE1-N 3.08Å; W204-P207 WeakPolarHBondContact O-CD 3.38Å; P207-I211 WeakPolarHBondContact O-CD1 3.32Å; P207-T233 HydrophobicContact CB-CG2 4.31Å; P207-T233 WeakPolarHBondContact CB-OG1 3.47Å; P207-T233 HydrophobicContact CG-CG2 4.42Å
208	S	98.9	Very high	98.7	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.014	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-51.2	171.4	-169.6	0	0	0	0	111.7	E156 S160 F206 M210 I211 T212	E156-S208 PolarHBondContact OE1-N 2.95Å; S160-S208 VanDerWaalsContact OG-C 3.23Å; S160-S208 PolarHBondContact OG-O 3.34Å; S160-S208 PolarHBondContact OG-OG 3.27Å; F206-S208 PolarHBondContact O-N 2.82Å; F206-S208 VanDerWaalsContact O-N 3.12Å; S208-M210 VanDerWaalsContact C-N 3.34Å; S208-M210 PolarHBondContact O-N 3.35Å; S208-I211 WeakPolarHBondContact O-CB 3.34Å; S208-I211 PolarHBondContact O-N 2.96Å; S208-I211 VanDerWaalsContact O-N 3.07Å; S208-T212 PolarHBondContact O-N 2.83Å
209	A	98.7	Very high	98.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-70.4	-26.2	-171.7	0	0	0	0	0	114	E156 Y159 S160 F206 I211 R213	E156-A209 HydrophobicContact CG-CB 3.79Å; E156-A209 PolarHBondContact OE1-N 3.29Å; Y159-A209 HydrophobicContact CD1-CB 4.04Å; S160-A209 PolarHBondContact OG-N 2.97Å; F206-A209 HydrophobicContact CB-CB 4.25Å; F206-A209 PolarHBondContact O-N 3.16Å; A209-I211 VanDerWaalsContact C-N 3.27Å; A209-R213 WeakPolarHBondContact O-CB 3.45Å; A209-R213 WeakPolarHBondContact O-CG 3.05Å; A209-R213 PolarHBondContact O-N 3.38Å; A209-R213 PolarHBondContact O-NE 3.31Å
210	M	98.7	Very high	98.7	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-70.2	-26.6	172.7	-71.7	-65.9	171.5	0	0	112.5	T202 P203 F206 S208 R213 K214 T283	T202-M210 HydrophobicContact CG2-CB 3.95Å; T202-M210 WeakPolarHBondContact CG2-O 3.17Å; P203-M210 HydrophobicContact CG-CG 4Å; F206-M210 HydrophobicContact CB-CG 3.99Å; F206-M210 HydrophobicContact CD2-CE 4.09Å; F206-M210 WeakPolarHBondContact O-CB 3.12Å; F206-M210 WeakPolarHBondContact O-CG 3.41Å; F206-M210 PolarHBondContact O-N 3.46Å; S208-M210 VanDerWaalsContact C-N 3.34Å; S208-M210 PolarHBondContact O-N 3.35Å; M210-R213 PolarHBondContact SD-NH1 2.91Å; M210-K214 WeakPolarHBondContact O-CD 3.29Å; M210-K214 WeakPolarHBondContact O-CG 3.35Å; M210-T283 HydrophobicContact CE-CG2 4.25Å; M210-T283 HydrophobicContact SD-CG2 3.86Å
211	I	98.9	Very high	98.7	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-78.7	-54.9	176.2	-62.3	176.9	0	0	0	109.1	T202 P207 S208 A209 R213 K214 V215 V227 A237 L240 Y254	T202-I211 HydrophobicContact CG2-CG1 3.89Å; P207-I211 WeakPolarHBondContact O-CD1 3.32Å; S208-I211 WeakPolarHBondContact O-CB 3.34Å; S208-I211 PolarHBondContact O-N 2.96Å; S208-I211 VanDerWaalsContact O-N 3.07Å; A209-I211 VanDerWaalsContact C-N 3.27Å; I211-R213 VanDerWaalsContact C-N 3.33Å; I211-R213 PolarHBondContact O-N 3.35Å; I211-K214 PolarHBondContact O-N 3.36Å; I211-K214 VanDerWaalsContact O-N 3.12Å; I211-V215 HydrophobicContact CG2-CB 4.47Å; I211-V215 HydrophobicContact CG2-CG2 3.75Å; I211-V215 WeakPolarHBondContact O-CB 3.44Å; I211-V215 VanDerWaalsContact O-CG2 3.22Å; I211-V215 WeakPolarHBondContact O-CG2 3.39Å; I211-V215 PolarHBondContact O-N 2.95Å; I211-V227 HydrophobicContact CD1-CG1 4.23Å; I211-V227 HydrophobicContact CG1-CG1 4.3Å; I211-V227 HydrophobicContact CG2-CG1 4.46Å; I211-V227 HydrophobicContact CG2-CG2 4.46Å; I211-A237 HydrophobicContact CD1-CB 3.34Å; I211-L240 HydrophobicContact CB-CD1 4.01Å; I211-L240 HydrophobicContact CD1-CD1 4.32Å; I211-L240 HydrophobicContact CG2-CD1 3.87Å; I211-Y254 HydrophobicContact CG2-CE2 4.18Å; I211-Y254 WeakPolarHBondContact CG2-OH 3.4Å
212	T	98.9	Very high	98.7	Very high	1 Å²	1	6 Å²	6	1%	0.006	3%	0.029	C	C	.	.	H	α-helix	trans	-66.8	-31.4	-171.4	59.7	0	0	0	0	113.6	M131 S160 L164 S208 K214 G216 L240	M131-T212 HydrophobicContact CE-CG2 4.32Å; M131-T212 HydrophobicContact SD-CG2 4.19Å; S160-T212 WeakPolarHBondContact CA-OG1 3.18Å; S160-T212 VanDerWaalsContact O-CB 3.23Å; S160-T212 WeakPolarHBondContact O-CB 3.46Å; S160-T212 PolarHBondContact O-OG1 3.07Å; S160-T212 WeakPolarHBondContact OG-CG2 3.49Å; S160-T212 PolarHBondContact OG-OG1 2.98Å; L164-T212 HydrophobicContact CD1-CG2 4.36Å; L164-T212 HydrophobicContact CD2-CG2 4.17Å; L164-T212 HydrophobicContact CG-CG2 4.08Å; S208-T212 PolarHBondContact O-N 2.83Å; T212-K214 VanDerWaalsContact C-N 3.29Å; T212-K214 PolarHBondContact O-N 3.01Å; T212-G216 WeakPolarHBondContact O-CA 3.32Å; T212-G216 PolarHBondContact O-N 3.46Å; T212-L240 HydrophobicContact CG2-CD1 3.85Å; T212-L240 HydrophobicContact CG2-CD2 3.82Å
213	R	98.8	Very high	98.7	Very high	8 Å²	8	5.8 Å²	5.8	3%	0.03	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-35.2	174.2	75.8	176.2	64.2	178.6	1.1	113.1	F163 F167 A209 M210 I211 E306 E515	F163-R213 HydrophobicContact CB-CB 4.5Å; F163-R213 HydrophobicContact CD1-CB 3.8Å; F163-R213 HydrophobicContact CD2-CB 3.64Å; F163-R213 HydrophobicContact CE1-CB 3.79Å; F163-R213 HydrophobicContact CE2-CB 3.6Å; F163-R213 HydrophobicContact CG-CB 3.73Å; F163-R213 HydrophobicContact CZ-CB 3.69Å; F167-R213 WeakPolarHBondContact CE2-O 3.39Å; A209-R213 WeakPolarHBondContact O-CB 3.45Å; A209-R213 WeakPolarHBondContact O-CG 3.05Å; A209-R213 PolarHBondContact O-N 3.38Å; A209-R213 PolarHBondContact O-NE 3.31Å; M210-R213 PolarHBondContact SD-NH1 2.91Å; I211-R213 VanDerWaalsContact C-N 3.33Å; I211-R213 PolarHBondContact O-N 3.35Å; R213-E306 IonicContact NH1-OE2 3.18Å; R213-E306 PolarHBondContact NH1-OE2 3.26Å; R213-E306 VanDerWaalsContact NH1-OE2 3.07Å; R213-E515 WeakPolarHBondContact CD-OE2 3.41Å
214	K	98.9	Very high	98.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-83.6	-49.3	-179.5	-67.4	175.1	-168.9	-61.8	0	110.8	V200 T202 M210 I211 T212 A217 A218 S281 T283 E515 Y524	V200-K214 HydrophobicContact CG1-CB 4.04Å; V200-K214 HydrophobicContact CG1-CD 3.7Å; V200-K214 HydrophobicContact CG2-CB 4.48Å; T202-K214 HydrophobicContact CG2-CD 4.04Å; M210-K214 WeakPolarHBondContact O-CD 3.29Å; M210-K214 WeakPolarHBondContact O-CG 3.35Å; I211-K214 PolarHBondContact O-N 3.36Å; I211-K214 VanDerWaalsContact O-N 3.12Å; T212-K214 VanDerWaalsContact C-N 3.29Å; T212-K214 PolarHBondContact O-N 3.01Å; K214-A217 PolarHBondContact O-N 3.34Å; K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 3.28Å; K214-S281 VanDerWaalsContact CD-OG 3.31Å; K214-S281 WeakPolarHBondContact CD-OG 3.3Å; K214-S281 PolarHBondContact NZ-OG 3.1Å; K214-T283 WeakPolarHBondContact CE-OG1 3.39Å; K214-T283 PolarHBondContact NZ-OG1 2.76Å; K214-E515 VanDerWaalsContact CG-OE1 3.22Å; K214-E515 WeakPolarHBondContact CG-OE1 3.47Å; K214-E515 IonicContact NZ-OE1 2.78Å; K214-E515 PolarHBondContact NZ-OE1 3.37Å; K214-E515 IonicContact NZ-OE2 2.74Å; K214-E515 PolarHBondContact NZ-OE2 3.21Å; K214-E515 VanDerWaalsContact NZ-OE2 3.09Å; K214-Y524 PolarHBondContact O-OH 3.06Å
215	V	98.9	Very high	98.8	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-72	-38.2	-173.4	174.6	0	0	0	0	111.3	W127 V200 I211 A218 L219 V225 V227 Y254	W127-V215 HydrophobicContact CH2-CG1 3.85Å; W127-V215 HydrophobicContact CZ3-CG1 3.95Å; V200-V215 HydrophobicContact CG1-CG2 4.44Å; I211-V215 HydrophobicContact CG2-CB 4.47Å; I211-V215 HydrophobicContact CG2-CG2 3.75Å; I211-V215 WeakPolarHBondContact O-CB 3.44Å; I211-V215 VanDerWaalsContact O-CG2 3.22Å; I211-V215 WeakPolarHBondContact O-CG2 3.39Å; I211-V215 PolarHBondContact O-N 2.95Å; V215-A218 PolarHBondContact O-N 2.93Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CD2 4.4Å; V215-L219 WeakPolarHBondContact O-CB 2.93Å; V215-L219 PolarHBondContact O-N 3.19Å; V215-V225 HydrophobicContact CG1-CG2 4Å; V215-V225 HydrophobicContact CG2-CG2 4.07Å; V215-V227 HydrophobicContact CG2-CG2 3.98Å; V215-Y254 HydrophobicContact CB-CE2 4.45Å; V215-Y254 HydrophobicContact CG1-CD2 3.66Å; V215-Y254 HydrophobicContact CG1-CE2 3.83Å; V215-Y254 HydrophobicContact CG2-CD2 4.42Å; V215-Y254 HydrophobicContact CG2-CE2 3.96Å
216	G	98.9	Very high	98.9	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-56.1	-52.1	173.7	0	0	0	0	0	111.3	F167 T212 L219 A220	F167-G216 WeakPolarHBondContact CB-O 3.47Å; T212-G216 WeakPolarHBondContact O-CA 3.32Å; T212-G216 PolarHBondContact O-N 3.46Å; G216-L219 PolarHBondContact O-N 3.48Å; G216-A220 WeakPolarHBondContact O-CB 3.28Å; G216-A220 PolarHBondContact O-N 2.97Å
217	A	98.9	Very high	98.9	Very high	1 Å²	1	1 Å²	1	1%	0.008	1%	0.006	C	C	.	.	H	α-helix	trans	-60.9	-45.7	177.4	0	0	0	0	0	112.7	F167 K214 A220 A221 Y524	F167-A217 HydrophobicContact CD1-CB 3.84Å; F167-A217 HydrophobicContact CD2-CB 4.06Å; F167-A217 HydrophobicContact CE1-CB 3.66Å; F167-A217 HydrophobicContact CE2-CB 3.87Å; F167-A217 HydrophobicContact CG-CB 4.06Å; F167-A217 HydrophobicContact CZ-CB 3.67Å; K214-A217 PolarHBondContact O-N 3.34Å; A217-A220 PolarHBondContact O-N 2.85Å; A217-A221 WeakPolarHBondContact O-CB 3.15Å; A217-A221 PolarHBondContact O-N 3.1Å; A217-Y524 HydrophobicContact CB-CD2 3.72Å; A217-Y524 HydrophobicContact CB-CE2 3.61Å
218	A	99	Very high	98.9	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-59.1	-51	179.2	0	0	0	0	0	112	K214 V215 A220 A221 G222 C223 V225 Y524	K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 3.28Å; V215-A218 PolarHBondContact O-N 2.93Å; A218-A220 PolarHBondContact O-N 3.04Å; A218-A221 PolarHBondContact O-N 3.45Å; A218-G222 PolarHBondContact O-N 3.47Å; A218-C223 HydrophobicContact CB-CB 4.22Å; A218-C223 WeakPolarHBondContact O-CA 3.13Å; A218-C223 VanDerWaalsContact O-CB 3.28Å; A218-C223 WeakPolarHBondContact O-CB 3.49Å; A218-C223 PolarHBondContact O-N 2.77Å; A218-V225 HydrophobicContact CB-CG1 3.51Å; A218-Y524 HydrophobicContact CB-CD1 3.66Å; A218-Y524 HydrophobicContact CB-CE1 3.64Å; A218-Y524 HydrophobicContact CB-CG 4.15Å
219	L	98.9	Very high	98.9	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-67.5	-37	-179.7	-92.7	57.6	0	0	0	112	W112 R120 L124 W127 V215 G216 A221 G222 V225 I249 V253	W112-L219 HydrophobicContact CZ2-CB 4.39Å; W112-L219 HydrophobicContact CZ2-CG 4.34Å; W112-L219 PolarHBondContact NE1-O 3.32Å; R120-L219 PolarHBondContact NE-O 3.15Å; L124-L219 HydrophobicContact CD1-CB 4.36Å; L124-L219 HydrophobicContact CD2-CB 4.03Å; L124-L219 HydrophobicContact CD2-CD2 4.13Å; L124-L219 HydrophobicContact CG-CB 4.49Å; W127-L219 HydrophobicContact CZ3-CD2 3.91Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CD2 4.4Å; V215-L219 WeakPolarHBondContact O-CB 2.93Å; V215-L219 PolarHBondContact O-N 3.19Å; G216-L219 PolarHBondContact O-N 3.48Å; L219-A221 VanDerWaalsContact C-N 3.35Å; L219-A221 PolarHBondContact O-N 3.13Å; L219-G222 PolarHBondContact O-N 3.11Å; L219-V225 HydrophobicContact CD1-CG1 4.18Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; L219-I249 HydrophobicContact CD2-CD1 4.16Å; L219-I249 HydrophobicContact CD2-CG2 4.39Å; L219-V253 HydrophobicContact CD1-CG1 3.87Å; L219-V253 HydrophobicContact CD2-CG1 3.81Å; L219-V253 HydrophobicContact CG-CG1 3.59Å
220	A	98.9	Very high	98.9	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-59	-46.1	175.9	0	0	0	0	0	111.7	R120 L124 F167 A171 G216 A217 A218 G222 I521	R120-A220 PolarHBondContact NE-O 3.06Å; R120-A220 PolarHBondContact NH2-O 2.65Å; L124-A220 HydrophobicContact CD1-CB 4.01Å; F167-A220 HydrophobicContact CB-CB 4Å; F167-A220 WeakPolarHBondContact O-CB 3.34Å; A171-A220 HydrophobicContact CB-CB 3.81Å; G216-A220 WeakPolarHBondContact O-CB 3.28Å; G216-A220 PolarHBondContact O-N 2.97Å; A217-A220 PolarHBondContact O-N 2.85Å; A218-A220 PolarHBondContact O-N 3.04Å; A220-G222 PolarHBondContact O-N 2.74Å; A220-I521 HydrophobicContact CB-CD1 3.85Å
221	A	98.9	Very high	98.9	Very high	4 Å²	4	3.8 Å²	3.8	3%	0.033	2%	0.02	C	C	.	.	H	α-helix	trans	-63.1	-25.1	174.9	0	0	0	0	0	113.1	P194 A217 A218 L219 I521 L525	P194-A221 WeakPolarHBondContact CB-O 3.43Å; A217-A221 WeakPolarHBondContact O-CB 3.15Å; A217-A221 PolarHBondContact O-N 3.1Å; A218-A221 PolarHBondContact O-N 3.45Å; L219-A221 VanDerWaalsContact C-N 3.35Å; L219-A221 PolarHBondContact O-N 3.13Å; A221-I521 HydrophobicContact CB-CG1 4Å; A221-L525 HydrophobicContact CB-CD2 3.96Å; A221-L525 HydrophobicContact CB-CG 4.18Å
222	G	98.9	Very high	98.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.4	14.8	-175.5	0	0	0	0	0	114	F109 A218 L219 A220	F109-G222 WeakPolarHBondContact CD2-O 3.43Å; A218-G222 PolarHBondContact O-N 3.47Å; L219-G222 PolarHBondContact O-N 3.11Å; A220-G222 PolarHBondContact O-N 2.74Å
223	C	98.9	Very high	98.8	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.007	3%	0.03	C	C	.	.			trans	-81.9	165.8	170.8	-65.3	0	0	0	0	111.3	W112 P194 I195 G196 A218 Y524	W112-C223 PolarHBondContact NE1-O 3.46Å; P194-C223 VanDerWaalsContact CB-SG 3.56Å; I195-C223 PolarHBondContact N-SG 3.15Å; G196-C223 VanDerWaalsContact O-CA 3.31Å; G196-C223 WeakPolarHBondContact O-CA 3.27Å; G196-C223 WeakPolarHBondContact O-CB 3.18Å; G196-C223 PolarHBondContact O-SG 2.93Å; A218-C223 HydrophobicContact CB-CB 4.22Å; A218-C223 WeakPolarHBondContact O-CA 3.13Å; A218-C223 VanDerWaalsContact O-CB 3.28Å; A218-C223 WeakPolarHBondContact O-CB 3.49Å; A218-C223 PolarHBondContact O-N 2.77Å; C223-Y524 PolarHBondContact SG-O 3.25Å; C223-Y524 VanDerWaalsContact SG-O 3.36Å
224	T	99	Very high	98.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	159.5	169.1	58	0	0	0	0	109.8	A105 A108 F109 W112 G196 V197 A198 V253	A105-T224 PolarHBondContact O-OG1 3.24Å; A108-T224 HydrophobicContact CB-CG2 4.2Å; F109-T224 HydrophobicContact CB-CG2 3.9Å; W112-T224 HydrophobicContact CB-CG2 4.09Å; W112-T224 HydrophobicContact CG-CG2 4.3Å; G196-T224 PolarHBondContact O-N 2.99Å; V197-T224 WeakPolarHBondContact CA-O 3.19Å; A198-T224 PolarHBondContact N-O 3.22Å; T224-V253 HydrophobicContact CG2-CB 4.27Å; T224-V253 HydrophobicContact CG2-CG1 4.28Å; T224-V253 HydrophobicContact CG2-CG2 4.1Å
225	V	99	Very high	98.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.3	-171.8	-57.8	0	0	0	0	113.7	A198 V200 V215 A218 L219 V227 V253 Y254 N255	A198-V225 HydrophobicContact CB-CG1 4.36Å; A198-V225 VanDerWaalsContact O-CA 3.3Å; A198-V225 WeakPolarHBondContact O-CA 3.23Å; V200-V225 HydrophobicContact CG2-CB 4.15Å; V200-V225 HydrophobicContact CG2-CG1 4.06Å; V215-V225 HydrophobicContact CG1-CG2 4Å; V215-V225 HydrophobicContact CG2-CG2 4.07Å; A218-V225 HydrophobicContact CB-CG1 3.51Å; L219-V225 HydrophobicContact CD1-CG1 4.18Å; L219-V225 HydrophobicContact CD1-CG2 4.27Å; V225-V227 HydrophobicContact CG2-CG2 4.15Å; V225-V253 PolarHBondContact N-O 3.26Å; V225-Y254 HydrophobicContact CG2-CD2 3.56Å; V225-Y254 HydrophobicContact CG2-CE2 4.24Å; V225-N255 PolarHBondContact O-N 2.85Å; V225-N255 PolarHBondContact O-ND2 2.97Å
226	V	99	Very high	98.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.8	163.6	-178.9	0	0	0	0	107.8	A101 V102 A105 V197 A198 V200 N255 I257 I271	A101-V226 HydrophobicContact CB-CG1 3.9Å; A101-V226 HydrophobicContact CB-CG2 4.28Å; V102-V226 HydrophobicContact CG2-CG2 4.19Å; A105-V226 HydrophobicContact CB-CG2 3.73Å; V197-V226 HydrophobicContact CG1-CG2 4.44Å; A198-V226 PolarHBondContact O-N 3.49Å; V200-V226 PolarHBondContact N-O 3.06Å; V226-N255 HydrophobicContact CG2-CB 4.47Å; V226-I257 HydrophobicContact CG1-CD1 3.53Å; V226-I257 HydrophobicContact CG1-CG1 3.78Å; V226-I271 HydrophobicContact CG1-CG2 4.4Å
227	V	99	Very high	98.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.9	-177	-175.6	0	0	0	0	110.6	V200 I211 V215 V225 Y254 N255 V256 I257	V200-V227 HydrophobicContact CB-CG2 4.09Å; V200-V227 HydrophobicContact CG1-CG1 4.4Å; V200-V227 HydrophobicContact CG1-CG2 4.24Å; V200-V227 CarbonylContact O-C 3.59Å; V200-V227 VanDerWaalsContact O-CA 3.24Å; V200-V227 WeakPolarHBondContact O-CA 3.11Å; I211-V227 HydrophobicContact CD1-CG1 4.23Å; I211-V227 HydrophobicContact CG1-CG1 4.3Å; I211-V227 HydrophobicContact CG2-CG1 4.46Å; I211-V227 HydrophobicContact CG2-CG2 4.46Å; V215-V227 HydrophobicContact CG2-CG2 3.98Å; V225-V227 HydrophobicContact CG2-CG2 4.15Å; V227-Y254 HydrophobicContact CG2-CD2 4.27Å; V227-Y254 HydrophobicContact CG2-CE2 3.57Å; V227-N255 WeakPolarHBondContact CB-O 3.35Å; V227-N255 PolarHBondContact N-O 2.85Å; V227-V256 HydrophobicContact CB-CG2 4.38Å; V227-V256 WeakPolarHBondContact O-CA 3.5Å; V227-I257 WeakPolarHBondContact O-CG1 3.47Å; V227-I257 PolarHBondContact O-N 2.92Å
228	K	98.9	Very high	98.8	Very high	10 Å²	10	5.6 Å²	5.6	4%	0.043	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	101.8	163	-163.6	-81.6	141.4	174.8	0	108.3	V200 I201 T202 E231 C259 V267 I271	V200-K228 PolarHBondContact O-N 3.04Å; I201-K228 WeakPolarHBondContact CA-O 3.24Å; I201-K228 HydrophobicContact CG1-CB 4.2Å; T202-K228 PolarHBondContact N-O 3.14Å; K228-E231 IonicContact NZ-OE2 2.72Å; K228-E231 PolarHBondContact NZ-OE2 3Å; K228-C259 WeakPolarHBondContact CE-O 3.16Å; K228-C259 WeakPolarHBondContact CE-SG 3.36Å; K228-C259 PolarHBondContact NZ-O 3.34Å; K228-V267 HydrophobicContact CG-CG1 4.02Å; K228-I271 HydrophobicContact CB-CD1 4.19Å
229	P	98.9	Very high	98.8	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.019	3%	0.03	C	C	.	.			trans	-75.7	162.4	176.8	32.8	-35.4	0	0	0	111.4	P234 A237 V256 P258	P229-P234 HydrophobicContact CG-CB 4.22Å; P229-A237 HydrophobicContact CB-CB 3.67Å; P229-A237 HydrophobicContact CG-CB 3.87Å; P229-V256 HydrophobicContact CG-CG1 4Å; P229-P258 HydrophobicContact CG-CB 4.45Å; P229-P258 HydrophobicContact CG-CG 4.48Å
230	A	98.6	Very high	98.8	Very high	9 Å²	9	5.6 Å²	5.6	7%	0.074	3%	0.03	C	C	.	.			trans	-61	142.3	172.2	0	0	0	0	0	111.2	T202 W204 D232 T233	T202-A230 PolarHBondContact O-N 2.78Å; T202-A230 VanDerWaalsContact O-N 3.11Å; W204-A230 HydrophobicContact CB-CB 3.76Å; A230-D232 PolarHBondContact O-N 3.3Å; A230-T233 CarbonylContact O-C 3.54Å; A230-T233 PolarHBondContact O-N 3.29Å
231	E	98.5	Very high	98.8	Very high	42 Å²	42	5.6 Å²	5.6	20%	0.196	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.7	179.2	58.7	-94.6	-140.2	0	0	113.5	F76 K228 T233 C259 R261	F76-E231 HydrophobicContact CE2-CB 4.16Å; F76-E231 VanDerWaalsContact CE2-O 3.3Å; F76-E231 WeakPolarHBondContact CE2-O 3.34Å; F76-E231 HydrophobicContact CZ-CB 4.48Å; K228-E231 IonicContact NZ-OE2 2.72Å; K228-E231 PolarHBondContact NZ-OE2 3Å; E231-T233 VanDerWaalsContact C-N 3.31Å; E231-C259 WeakPolarHBondContact CB-O 3.38Å; E231-R261 VanDerWaalsContact OE1-CA 3.29Å; E231-R261 WeakPolarHBondContact OE1-CA 3.42Å; E231-R261 VanDerWaalsContact OE1-CB 3.24Å; E231-R261 WeakPolarHBondContact OE1-CB 3.42Å; E231-R261 IonicContact OE1-NE 3.81Å
232	D	98.4	Very high	98.8	Very high	40 Å²	40	6.1 Å²	6.1	21%	0.214	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.8	178.1	-56	-73.2	0	0	0	112.2	W204 A230 I384	W204-D232 HydrophobicContact CB-CB 4.08Å; W204-D232 HydrophobicContact CG-CB 4.45Å; A230-D232 PolarHBondContact O-N 3.3Å; D232-I384 HydrophobicContact CB-CD1 3.94Å; D232-I384 HydrophobicContact CB-CG1 3.95Å
233	T	98.7	Very high	98.8	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.032	C	C	.	.			trans	-143.5	53.1	-169.5	52.6	0	0	0	0	114.2	E145 W204 P207 A230 E231	E145-T233 HydrophobicContact CB-CG2 4.01Å; E145-T233 VanDerWaalsContact CD-C 3.47Å; E145-T233 VanDerWaalsContact CD-CB 3.47Å; E145-T233 HydrophobicContact CG-CG2 3.64Å; E145-T233 WeakPolarHBondContact OE2-CA 3.44Å; W204-T233 WeakPolarHBondContact CA-OG1 3.49Å; W204-T233 HydrophobicContact CB-CG2 3.81Å; W204-T233 VanDerWaalsContact CB-OG1 3.25Å; W204-T233 WeakPolarHBondContact CB-OG1 3.45Å; P207-T233 HydrophobicContact CB-CG2 4.31Å; P207-T233 WeakPolarHBondContact CB-OG1 3.47Å; P207-T233 HydrophobicContact CG-CG2 4.42Å; A230-T233 CarbonylContact O-C 3.54Å; A230-T233 PolarHBondContact O-N 3.29Å; E231-T233 VanDerWaalsContact C-N 3.31Å
234	P	98.7	Very high	98.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-76.4	-19.6	-176	33.5	-37.7	0	0	0	113.7	F76 V78 V90 P229 S236 A237 L238 P258	F76-P234 HydrophobicContact CE2-CG 4.22Å; F76-P234 HydrophobicContact CZ-CB 4.39Å; F76-P234 HydrophobicContact CZ-CG 4.11Å; V78-P234 HydrophobicContact CG2-CG 3.6Å; V90-P234 HydrophobicContact CB-CG 4.33Å; V90-P234 HydrophobicContact CG1-CB 4.19Å; V90-P234 HydrophobicContact CG1-CG 4.13Å; V90-P234 HydrophobicContact CG2-CG 3.85Å; P229-P234 HydrophobicContact CG-CB 4.22Å; P234-S236 PolarHBondContact O-N 3.04Å; P234-A237 WeakPolarHBondContact O-CB 3.34Å; P234-A237 PolarHBondContact O-N 3.29Å; P234-L238 WeakPolarHBondContact O-CG 3.31Å; P234-L238 PolarHBondContact O-N 2.86Å; P234-P258 HydrophobicContact CB-CB 4.11Å; P234-P258 HydrophobicContact CB-CG 4.46Å
235	F	98.7	Very high	98.8	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.009	5%	0.049	C	C	.	.	H	α-helix	trans	-69.4	-36.3	-170.3	-61.6	-61.1	0	0	0	112.2	L59 R60 T61 V78 L87 V90 I141 E145 A237 L238 A239	L59-F235 HydrophobicContact CD1-CB 3.98Å; L59-F235 HydrophobicContact CD1-CD1 3.59Å; L59-F235 HydrophobicContact CD1-CD2 4.19Å; L59-F235 HydrophobicContact CD1-CE1 4.05Å; L59-F235 HydrophobicContact CD1-CG 3.67Å; R60-F235 VanDerWaalsContact O-CD1 3.27Å; R60-F235 WeakPolarHBondContact O-CD1 3.42Å; T61-F235 HydrophobicContact CG2-CE1 4.49Å; V78-F235 HydrophobicContact CB-CE2 3.58Å; V78-F235 HydrophobicContact CB-CZ 3.9Å; V78-F235 HydrophobicContact CG1-CD2 4.14Å; V78-F235 HydrophobicContact CG1-CE2 3.53Å; V78-F235 HydrophobicContact CG1-CZ 4.35Å; V78-F235 HydrophobicContact CG2-CE2 4.01Å; V78-F235 HydrophobicContact CG2-CZ 4.07Å; L87-F235 HydrophobicContact CB-CE2 3.66Å; L87-F235 HydrophobicContact CB-CZ 4.17Å; L87-F235 HydrophobicContact CD1-CE2 4.15Å; V90-F235 HydrophobicContact CG2-CD1 4.19Å; V90-F235 HydrophobicContact CG2-CE1 3.41Å; V90-F235 VanDerWaalsContact CG2-CE1 3.41Å; V90-F235 HydrophobicContact CG2-CZ 3.67Å; I141-F235 HydrophobicContact CG2-CB 3.6Å; E145-F235 HydrophobicContact CB-CD2 4.33Å; E145-F235 WeakPolarHBondContact OE2-CA 3.17Å; E145-F235 WeakPolarHBondContact OE2-CB 2.98Å; E145-F235 WeakPolarHBondContact OE2-CD2 3.18Å; E145-F235 PolarHBondContact OE2-N 3.48Å; F235-A237 VanDerWaalsContact C-N 3.28Å; F235-A237 PolarHBondContact O-N 3.04Å; F235-L238 PolarHBondContact O-N 3.3Å; F235-L238 VanDerWaalsContact O-N 3.17Å; F235-A239 WeakPolarHBondContact O-CB 3.31Å; F235-A239 PolarHBondContact O-N 3.31Å
236	S	98.8	Very high	98.7	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.035	7%	0.07	C	C	.	.	H	α-helix	trans	-58.3	-40.7	175	-65.7	0	0	0	0	112.3	I142 E145 P234 L238 A239 L240	I142-S236 WeakPolarHBondContact CG1-OG 3.43Å; E145-S236 WeakPolarHBondContact OE1-CB 3.23Å; E145-S236 PolarHBondContact OE1-N 3.26Å; E145-S236 PolarHBondContact OE1-OG 2.97Å; P234-S236 PolarHBondContact O-N 3.04Å; S236-L238 VanDerWaalsContact C-N 3.35Å; S236-L238 PolarHBondContact O-N 3.46Å; S236-A239 PolarHBondContact O-N 3.38Å; S236-L240 WeakPolarHBondContact O-CG 3.19Å; S236-L240 PolarHBondContact O-N 3.47Å
237	A	98.9	Very high	98.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-39.4	177.4	0	0	0	0	0	112.3	I211 P229 P234 F235 L240 A241 Y254 V256	I211-A237 HydrophobicContact CD1-CB 3.34Å; P229-A237 HydrophobicContact CB-CB 3.67Å; P229-A237 HydrophobicContact CG-CB 3.87Å; P234-A237 WeakPolarHBondContact O-CB 3.34Å; P234-A237 PolarHBondContact O-N 3.29Å; F235-A237 VanDerWaalsContact C-N 3.28Å; F235-A237 PolarHBondContact O-N 3.04Å; A237-L240 WeakPolarHBondContact O-CB 3.27Å; A237-L240 PolarHBondContact O-N 3.19Å; A237-A241 PolarHBondContact O-N 2.94Å; A237-A241 VanDerWaalsContact O-N 3.14Å; A237-Y254 PolarHBondContact O-OH 3.21Å; A237-V256 HydrophobicContact CB-CG1 3.74Å
238	L	98.8	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-75.7	-36.7	179.4	-57	173.1	0	0	0	111.5	R60 D62 W69 V90 P234 F235 S236 L240 A241 E242 V256 P258	R60-L238 HydrophobicContact CB-CB 3.85Å; R60-L238 HydrophobicContact CB-CD1 4.34Å; R60-L238 WeakPolarHBondContact O-CD1 3.28Å; D62-L238 WeakPolarHBondContact O-CD2 3.42Å; W69-L238 HydrophobicContact CH2-CB 4.36Å; W69-L238 WeakPolarHBondContact CH2-O 3.34Å; W69-L238 HydrophobicContact CZ3-CB 4.19Å; W69-L238 HydrophobicContact CZ3-CD2 4.09Å; V90-L238 HydrophobicContact CG1-CD1 4.25Å; P234-L238 WeakPolarHBondContact O-CG 3.31Å; P234-L238 PolarHBondContact O-N 2.86Å; F235-L238 PolarHBondContact O-N 3.3Å; F235-L238 VanDerWaalsContact O-N 3.17Å; S236-L238 VanDerWaalsContact C-N 3.35Å; S236-L238 PolarHBondContact O-N 3.46Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 2.85Å; L238-A241 WeakPolarHBondContact O-CA 3.4Å; L238-A241 VanDerWaalsContact O-CB 3.31Å; L238-A241 WeakPolarHBondContact O-CB 3.43Å; L238-A241 PolarHBondContact O-N 3.13Å; L238-E242 PolarHBondContact O-N 2.94Å; L238-V256 HydrophobicContact CD2-CB 3.88Å; L238-V256 HydrophobicContact CD2-CG1 3.63Å; L238-V256 HydrophobicContact CG-CG1 4.44Å; L238-P258 HydrophobicContact CD1-CG 4.08Å; L238-P258 HydrophobicContact CD2-CG 3.86Å; L238-P258 HydrophobicContact CG-CG 4.27Å
239	A	98.7	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-40.3	172	0	0	0	0	0	111.2	L58 L138 I141 F235 S236 A241 E242 L243	L58-A239 HydrophobicContact CB-CB 4.49Å; L58-A239 WeakPolarHBondContact O-CA 3.44Å; L58-A239 WeakPolarHBondContact O-CB 3.29Å; L138-A239 HydrophobicContact CD2-CB 3.64Å; I141-A239 HydrophobicContact CD1-CB 3.99Å; F235-A239 WeakPolarHBondContact O-CB 3.31Å; F235-A239 PolarHBondContact O-N 3.31Å; S236-A239 PolarHBondContact O-N 3.38Å; A239-A241 VanDerWaalsContact C-N 3.29Å; A239-A241 PolarHBondContact O-N 2.73Å; A239-E242 PolarHBondContact O-N 3.21Å; A239-L243 WeakPolarHBondContact O-CG 3.24Å; A239-L243 PolarHBondContact O-N 3.2Å; A239-L243 VanDerWaalsContact O-N 3.11Å
240	L	98.9	Very high	98.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-36.8	170.7	-76.2	172.7	0	0	0	112.3	W127 M131 I211 T212 S236 A237 L238 L243 A244 Y254	W127-L240 HydrophobicContact CZ2-CB 4.09Å; W127-L240 HydrophobicContact CZ2-CD2 4.36Å; W127-L240 WeakPolarHBondContact CZ2-O 3.31Å; W127-L240 PolarHBondContact NE1-O 3.15Å; W127-L240 VanDerWaalsContact NE1-O 3.16Å; M131-L240 HydrophobicContact CE-CD2 3.71Å; M131-L240 HydrophobicContact CG-CD2 4.19Å; M131-L240 HydrophobicContact SD-CD2 3.55Å; M131-L240 VanDerWaalsContact SD-CD2 3.55Å; I211-L240 HydrophobicContact CB-CD1 4.01Å; I211-L240 HydrophobicContact CD1-CD1 4.32Å; I211-L240 HydrophobicContact CG2-CD1 3.87Å; T212-L240 HydrophobicContact CG2-CD1 3.85Å; T212-L240 HydrophobicContact CG2-CD2 3.82Å; S236-L240 WeakPolarHBondContact O-CG 3.19Å; S236-L240 PolarHBondContact O-N 3.47Å; A237-L240 WeakPolarHBondContact O-CB 3.27Å; A237-L240 PolarHBondContact O-N 3.19Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 2.85Å; L240-L243 PolarHBondContact O-N 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.81Å; L240-Y254 HydrophobicContact CB-CE1 4.37Å
241	A	98.8	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.2	-41.3	177.4	0	0	0	0	0	112.9	F64 W69 A237 L238 A239 L243 A244 S245 Y254 V256	F64-A241 HydrophobicContact CB-CB 3.77Å; F64-A241 HydrophobicContact CD1-CB 3.73Å; F64-A241 HydrophobicContact CD2-CB 4.27Å; F64-A241 HydrophobicContact CE1-CB 4.33Å; F64-A241 HydrophobicContact CG-CB 3.67Å; W69-A241 HydrophobicContact CH2-CB 3.82Å; W69-A241 HydrophobicContact CZ2-CB 4.47Å; W69-A241 HydrophobicContact CZ3-CB 4.47Å; A237-A241 PolarHBondContact O-N 2.94Å; A237-A241 VanDerWaalsContact O-N 3.14Å; L238-A241 WeakPolarHBondContact O-CA 3.4Å; L238-A241 VanDerWaalsContact O-CB 3.31Å; L238-A241 WeakPolarHBondContact O-CB 3.43Å; L238-A241 PolarHBondContact O-N 3.13Å; A239-A241 VanDerWaalsContact C-N 3.29Å; A239-A241 PolarHBondContact O-N 2.73Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 2.74Å; A241-A244 WeakPolarHBondContact O-CB 3.35Å; A241-A244 PolarHBondContact O-N 3Å; A241-S245 PolarHBondContact O-N 3.12Å; A241-Y254 VanDerWaalsContact CA-CE1 3.46Å; A241-Y254 HydrophobicContact CB-CD1 3.92Å; A241-Y254 HydrophobicContact CB-CE1 3.6Å; A241-V256 HydrophobicContact CB-CG2 4.1Å
242	E	98.6	Very high	98.7	Very high	16 Å²	16	19.3 Å²	19.3	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-51.7	171.9	175.5	61.8	-153	0	0	110.2	A57 L58 R60 W69 L238 A239 A244 S245 Q246	A57-E242 HydrophobicContact CB-CG 4.39Å; A57-E242 WeakPolarHBondContact O-CG 3.3Å; L58-E242 HydrophobicContact CD2-CG 4.2Å; R60-E242 IonicContact CZ-OE2 3.79Å; R60-E242 IonicContact NE-OE2 3.26Å; R60-E242 PolarHBondContact NE-OE2 2.93Å; R60-E242 IonicContact NH2-OE1 2.74Å; R60-E242 IonicContact NH2-OE2 2.65Å; R60-E242 PolarHBondContact NH2-OE2 3.26Å; W69-E242 HydrophobicContact CH2-CB 4.42Å; W69-E242 HydrophobicContact CZ2-CB 3.95Å; W69-E242 WeakPolarHBondContact CZ2-OE2 3.34Å; L238-E242 PolarHBondContact O-N 2.94Å; A239-E242 PolarHBondContact O-N 3.21Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 3.41Å; E242-S245 WeakPolarHBondContact O-CB 3.4Å; E242-S245 PolarHBondContact O-N 2.53Å; E242-S245 PolarHBondContact O-OG 2.96Å; E242-Q246 PolarHBondContact O-N 3.32Å; E242-Q246 VanDerWaalsContact O-N 3.08Å; E242-Q246 PolarHBondContact OE1-NE2 3.38Å
243	L	98.7	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.7	-32.7	-179.5	-62.5	-174.4	0	0	0	113.1	L58 L130 M131 N134 L138 A239 L240 A241 S245 Q246 A247	L58-L243 HydrophobicContact CD2-CD1 4.34Å; L58-L243 HydrophobicContact CD2-CD2 3.66Å; L58-L243 HydrophobicContact CD2-CG 3.87Å; L130-L243 HydrophobicContact CB-CB 4.36Å; L130-L243 HydrophobicContact CB-CD2 4.22Å; L130-L243 WeakPolarHBondContact CD1-O 3.41Å; M131-L243 HydrophobicContact CG-CD1 4.03Å; N134-L243 HydrophobicContact CB-CD1 4.38Å; L138-L243 HydrophobicContact CD1-CD1 3.85Å; L138-L243 HydrophobicContact CD2-CD1 4.21Å; L138-L243 HydrophobicContact CG-CD1 4.47Å; A239-L243 WeakPolarHBondContact O-CG 3.24Å; A239-L243 PolarHBondContact O-N 3.2Å; A239-L243 VanDerWaalsContact O-N 3.11Å; L240-L243 PolarHBondContact O-N 3.3Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 2.74Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 2.89Å; L243-Q246 PolarHBondContact O-N 3.32Å; L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 3.22Å
244	A	98.9	Very high	98.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-42.7	172.9	0	0	0	0	0	110.9	W127 L240 A241 E242 A247 G248 I249 Y254	W127-A244 HydrophobicContact CD2-CB 4.11Å; W127-A244 HydrophobicContact CE3-CB 4.49Å; W127-A244 HydrophobicContact CH2-CB 4.1Å; W127-A244 HydrophobicContact CZ2-CB 3.67Å; W127-A244 HydrophobicContact CZ3-CB 4.5Å; L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.81Å; A241-A244 WeakPolarHBondContact O-CB 3.35Å; A241-A244 PolarHBondContact O-N 3Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 3.41Å; A244-A247 PolarHBondContact O-N 3.06Å; A244-G248 PolarHBondContact O-N 2.85Å; A244-I249 HydrophobicContact CB-CB 4.12Å; A244-I249 HydrophobicContact CB-CG1 4.04Å; A244-I249 VanDerWaalsContact O-CB 3.27Å; A244-I249 WeakPolarHBondContact O-CB 3.17Å; A244-I249 WeakPolarHBondContact O-CG1 3.24Å; A244-I249 PolarHBondContact O-N 3.06Å; A244-Y254 HydrophobicContact CB-CD1 4Å
245	S	98.5	Very high	98.8	Very high	49 Å²	49	17.5 Å²	17.5	34%	0.343	11%	0.113	S	C	.	.	H	α-helix	trans	-64.4	-43.7	177.3	80.7	0	0	0	0	111.8	A241 E242 L243 A247 G248	A241-S245 PolarHBondContact O-N 3.12Å; E242-S245 WeakPolarHBondContact O-CB 3.4Å; E242-S245 PolarHBondContact O-N 2.53Å; E242-S245 PolarHBondContact O-OG 2.96Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 2.89Å; S245-A247 VanDerWaalsContact C-N 3.31Å; S245-A247 PolarHBondContact O-N 2.85Å; S245-G248 PolarHBondContact O-N 2.72Å
246	Q	98.5	Very high	98.8	Very high	97 Å²	97	17.4 Å²	17.4	45%	0.453	11%	0.113	S	C	.	.	H	α-helix	trans	-65	-33.5	176.6	-68.8	179.8	24.2	0	0	112.5	L130 E242 L243 G248	L130-Q246 HydrophobicContact CD1-CB 3.62Å; E242-Q246 PolarHBondContact O-N 3.32Å; E242-Q246 VanDerWaalsContact O-N 3.08Å; E242-Q246 PolarHBondContact OE1-NE2 3.38Å; L243-Q246 PolarHBondContact O-N 3.32Å; Q246-G248 PolarHBondContact O-N 3.24Å
247	A	98.7	Very high	98.8	Very high	6 Å²	6	17.1 Å²	17.1	5%	0.05	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-16.7	174.4	0	0	0	0	0	113.5	K126 W127 L130 L243 A244 S245 I249	K126-A247 HydrophobicContact CB-CB 4.09Å; W127-A247 HydrophobicContact CB-CB 3.74Å; W127-A247 HydrophobicContact CG-CB 4.34Å; L130-A247 HydrophobicContact CD1-CB 3.91Å; L130-A247 VanDerWaalsContact CD1-N 3.35Å; L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 3.22Å; A244-A247 PolarHBondContact O-N 3.06Å; S245-A247 VanDerWaalsContact C-N 3.31Å; S245-A247 PolarHBondContact O-N 2.85Å; A247-I249 HydrophobicContact CB-CG1 4.37Å
248	G	98.7	Very high	98.8	Very high	41 Å²	41	17.1 Å²	17.1	42%	0.423	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	22.1	-174.2	0	0	0	0	0	114	A244 S245 Q246 P250	A244-G248 PolarHBondContact O-N 2.85Å; S245-G248 PolarHBondContact O-N 2.72Å; Q246-G248 PolarHBondContact O-N 3.24Å; G248-P250 WeakPolarHBondContact O-CD 3.29Å
249	I	98.9	Very high	98.8	Very high	16 Å²	16	17.1 Å²	17.1	8%	0.082	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-60.1	121.2	171.6	-62.8	-68.2	0	0	0	108.3	L123 W127 L219 A244 A247 V253	L123-I249 HydrophobicContact CB-CD1 3.91Å; W127-I249 HydrophobicContact CE3-CD1 4.26Å; W127-I249 HydrophobicContact CE3-CG1 4.17Å; L219-I249 HydrophobicContact CD2-CD1 4.16Å; L219-I249 HydrophobicContact CD2-CG2 4.39Å; A244-I249 HydrophobicContact CB-CB 4.12Å; A244-I249 HydrophobicContact CB-CG1 4.04Å; A244-I249 VanDerWaalsContact O-CB 3.27Å; A244-I249 WeakPolarHBondContact O-CB 3.17Å; A244-I249 WeakPolarHBondContact O-CG1 3.24Å; A244-I249 PolarHBondContact O-N 3.06Å; A247-I249 HydrophobicContact CB-CG1 4.37Å; I249-V253 HydrophobicContact CG2-CB 3.74Å; I249-V253 HydrophobicContact CG2-CG1 3.8Å
250	P	98.8	Very high	98.8	Very high	55 Å²	55	17.8 Å²	17.8	36%	0.357	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-59.6	147.6	-172.2	-27.1	35.1	0	0	0	113.5	W112 G248 G252 V253	W112-P250 HydrophobicContact CE3-CG 3.98Å; W112-P250 HydrophobicContact CZ3-CG 3.87Å; G248-P250 WeakPolarHBondContact O-CD 3.29Å; P250-G252 PolarHBondContact O-N 3.41Å; P250-V253 HydrophobicContact CB-CG2 3.92Å; P250-V253 HydrophobicContact CG-CG2 4.35Å; P250-V253 WeakPolarHBondContact O-CB 3.19Å; P250-V253 WeakPolarHBondContact O-CG2 3.44Å; P250-V253 PolarHBondContact O-N 2.68Å
251	S	98.8	Very high	98.7	Very high	75 Å²	75	25.2 Å²	25.2	52%	0.524	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	126.3	178.7	-55.7	0	0	0	0	111.9	G66 A108	G66-S251 WeakPolarHBondContact O-CB 3.07Å; A108-S251 WeakPolarHBondContact CB-O 3.48Å
252	G	98.8	Very high	98.6	Very high	1 Å²	1	34 Å²	34	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-7.9	-179.4	0	0	0	0	0	115	A105 P250 N255	A105-G252 VanDerWaalsContact CA-O 3.31Å; A105-G252 WeakPolarHBondContact CA-O 3.43Å; P250-G252 PolarHBondContact O-N 3.41Å; G252-N255 PolarHBondContact O-ND2 3.49Å
253	V	98.9	Very high	98.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-41.8	177.5	173.8	0	0	0	0	111.9	A108 W112 L219 T224 V225 I249 P250	A108-V253 HydrophobicContact CB-CG2 4.26Å; W112-V253 HydrophobicContact CB-CG2 3.99Å; W112-V253 HydrophobicContact CD2-CG1 4.1Å; W112-V253 HydrophobicContact CD2-CG2 3.91Å; W112-V253 HydrophobicContact CE3-CG2 4.07Å; W112-V253 HydrophobicContact CG-CG1 4.25Å; W112-V253 HydrophobicContact CG-CG2 3.89Å; W112-V253 HydrophobicContact CZ2-CG1 4.39Å; L219-V253 HydrophobicContact CD1-CG1 3.87Å; L219-V253 HydrophobicContact CD2-CG1 3.81Å; L219-V253 HydrophobicContact CG-CG1 3.59Å; T224-V253 HydrophobicContact CG2-CB 4.27Å; T224-V253 HydrophobicContact CG2-CG1 4.28Å; T224-V253 HydrophobicContact CG2-CG2 4.1Å; V225-V253 PolarHBondContact N-O 3.26Å; I249-V253 HydrophobicContact CG2-CB 3.74Å; I249-V253 HydrophobicContact CG2-CG1 3.8Å; P250-V253 HydrophobicContact CB-CG2 3.92Å; P250-V253 HydrophobicContact CG-CG2 4.35Å; P250-V253 WeakPolarHBondContact O-CB 3.19Å; P250-V253 WeakPolarHBondContact O-CG2 3.44Å; P250-V253 PolarHBondContact O-N 2.68Å
254	Y	98.9	Very high	98.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.2	173.5	-176.9	-113.2	0	0	0	109.3	F64 W127 I211 V215 V225 V227 A237 L240 A241 A244 V256	F64-Y254 VanDerWaalsContact CD1-O 3.3Å; F64-Y254 WeakPolarHBondContact CD1-O 3.47Å; F64-Y254 WeakPolarHBondContact CE1-O 3.08Å; W127-Y254 HydrophobicContact CH2-CD1 4.22Å; W127-Y254 AromaticContact CH2-CD2 3.93Å; W127-Y254 HydrophobicContact CH2-CD2 3.93Å; W127-Y254 HydrophobicContact CH2-CE1 4.35Å; W127-Y254 HydrophobicContact CH2-CE2 4.08Å; W127-Y254 HydrophobicContact CH2-CG 4.01Å; W127-Y254 HydrophobicContact CZ2-CD1 4.38Å; W127-Y254 HydrophobicContact CZ2-CE1 4.28Å; I211-Y254 HydrophobicContact CG2-CE2 4.18Å; I211-Y254 WeakPolarHBondContact CG2-OH 3.4Å; V215-Y254 HydrophobicContact CB-CE2 4.45Å; V215-Y254 HydrophobicContact CG1-CD2 3.66Å; V215-Y254 HydrophobicContact CG1-CE2 3.83Å; V215-Y254 HydrophobicContact CG2-CD2 4.42Å; V215-Y254 HydrophobicContact CG2-CE2 3.96Å; V225-Y254 HydrophobicContact CG2-CD2 3.56Å; V225-Y254 HydrophobicContact CG2-CE2 4.24Å; V227-Y254 HydrophobicContact CG2-CD2 4.27Å; V227-Y254 HydrophobicContact CG2-CE2 3.57Å; A237-Y254 PolarHBondContact O-OH 3.21Å; L240-Y254 HydrophobicContact CB-CE1 4.37Å; A241-Y254 VanDerWaalsContact CA-CE1 3.46Å; A241-Y254 HydrophobicContact CB-CD1 3.92Å; A241-Y254 HydrophobicContact CB-CE1 3.6Å; A244-Y254 HydrophobicContact CB-CD1 4Å; Y254-V256 HydrophobicContact CD1-CG2 4.19Å; Y254-V256 HydrophobicContact CE1-CG2 3.44Å; Y254-V256 VanDerWaalsContact CE1-CG2 3.44Å; Y254-V256 HydrophobicContact CE2-CG2 4.35Å
255	N	98.9	Very high	98.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.3	179.1	-48	-91.4	0	0	0	109.3	F64 G66 A101 V225 V226 V227 G252	F64-N255 CarbonylContact O-C 3.52Å; F64-N255 WeakPolarHBondContact O-CA 3.33Å; F64-N255 WeakPolarHBondContact O-CB 3.45Å; G66-N255 PolarHBondContact N-OD1 3.32Å; A101-N255 HydrophobicContact CB-CB 4.45Å; V225-N255 PolarHBondContact O-N 2.85Å; V225-N255 PolarHBondContact O-ND2 2.97Å; V226-N255 HydrophobicContact CG2-CB 4.47Å; V227-N255 WeakPolarHBondContact CB-O 3.35Å; V227-N255 PolarHBondContact N-O 2.85Å; G252-N255 PolarHBondContact O-ND2 3.49Å
256	V	99	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.3	-179.6	-171.5	0	0	0	0	109	S63 F64 V227 P229 A237 L238 A241 Y254 P258	S63-V256 WeakPolarHBondContact CB-O 3.48Å; F64-V256 HydrophobicContact CB-CB 4.41Å; F64-V256 PolarHBondContact N-O 3.06Å; F64-V256 PolarHBondContact O-N 3.3Å; V227-V256 HydrophobicContact CB-CG2 4.38Å; V227-V256 WeakPolarHBondContact O-CA 3.5Å; P229-V256 HydrophobicContact CG-CG1 4Å; A237-V256 HydrophobicContact CB-CG1 3.74Å; L238-V256 HydrophobicContact CD2-CB 3.88Å; L238-V256 HydrophobicContact CD2-CG1 3.63Å; L238-V256 HydrophobicContact CG-CG1 4.44Å; A241-V256 HydrophobicContact CB-CG2 4.1Å; Y254-V256 HydrophobicContact CD1-CG2 4.19Å; Y254-V256 HydrophobicContact CE1-CG2 3.44Å; Y254-V256 VanDerWaalsContact CE1-CG2 3.44Å; Y254-V256 HydrophobicContact CE2-CG2 4.35Å; V256-P258 HydrophobicContact CG1-CG 4.35Å; V256-P258 WeakPolarHBondContact O-CD 3.35Å
257	I	98.9	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.			trans	-121.9	80.8	-178.9	47.9	166.5	0	0	0	109.9	V65 C93 A98 A101 V226 V227 V267 I271	V65-I257 HydrophobicContact CG2-CG2 3.93Å; C93-I257 HydrophobicContact CB-CB 4.13Å; A98-I257 HydrophobicContact CB-CD1 3.93Å; A101-I257 HydrophobicContact CB-CG2 3.74Å; V226-I257 HydrophobicContact CG1-CD1 3.53Å; V226-I257 HydrophobicContact CG1-CG1 3.78Å; V227-I257 WeakPolarHBondContact O-CG1 3.47Å; V227-I257 PolarHBondContact O-N 2.92Å; I257-V267 HydrophobicContact CD1-CG1 3.86Å; I257-I271 HydrophobicContact CD1-CG2 3.92Å
258	P	98.9	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.			trans	-59	142	174.6	-17.9	31.1	0	0	0	110.5	F76 V90 A91 C93 P229 P234 L238 V256	F76-P258 HydrophobicContact CE1-CB 4.09Å; F76-P258 HydrophobicContact CZ-CB 4.16Å; V90-P258 HydrophobicContact CG1-CB 3.51Å; V90-P258 HydrophobicContact CG1-CG 3.8Å; A91-P258 CarbonylContact O-C 3.59Å; C93-P258 VanDerWaalsContact CB-O 3.25Å; C93-P258 WeakPolarHBondContact CB-O 3.46Å; C93-P258 PolarHBondContact N-O 3.24Å; C93-P258 PolarHBondContact SG-O 3.42Å; P229-P258 HydrophobicContact CG-CB 4.45Å; P229-P258 HydrophobicContact CG-CG 4.48Å; P234-P258 HydrophobicContact CB-CB 4.11Å; P234-P258 HydrophobicContact CB-CG 4.46Å; L238-P258 HydrophobicContact CD1-CG 4.08Å; L238-P258 HydrophobicContact CD2-CG 3.86Å; L238-P258 HydrophobicContact CG-CG 4.27Å; V256-P258 HydrophobicContact CG1-CG 4.35Å; V256-P258 WeakPolarHBondContact O-CD 3.35Å
259	C	98.7	Very high	98.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.			trans	-153.3	151.2	169.2	82.4	0	0	0	0	110.6	D92 C93 K228 E231 N263 V267	D92-C259 VanDerWaalsContact OD1-CA 3.26Å; D92-C259 WeakPolarHBondContact OD1-CA 3.27Å; D92-C259 WeakPolarHBondContact OD1-CB 3.2Å; C93-C259 HydrophobicContact CB-CB 4.48Å; C93-C259 WeakPolarHBondContact O-CB 3.44Å; K228-C259 WeakPolarHBondContact CE-O 3.16Å; K228-C259 WeakPolarHBondContact CE-SG 3.36Å; K228-C259 PolarHBondContact NZ-O 3.34Å; E231-C259 WeakPolarHBondContact CB-O 3.38Å; C259-N263 HydrophobicContact CB-CB 3.75Å; C259-V267 HydrophobicContact CB-CG2 4.13Å
260	S	98.5	Very high	98.5	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	22%	0.221	C	C	.	.			trans	-72.5	170.9	-178.6	72.6	0	0	0	0	112	D92 K262 N263 A264	D92-S260 PolarHBondContact OD1-N 3.04Å; D92-S260 PolarHBondContact OD1-OG 3.38Å; D92-S260 VanDerWaalsContact OD2-CB 3.26Å; D92-S260 WeakPolarHBondContact OD2-CB 3.35Å; D92-S260 PolarHBondContact OD2-OG 2.94Å; S260-K262 PolarHBondContact O-N 3.34Å; S260-K262 VanDerWaalsContact O-N 3.08Å; S260-K262 PolarHBondContact OG-N 3.01Å; S260-N263 PolarHBondContact O-N 3.41Å; S260-A264 PolarHBondContact O-N 3.35Å
261	R	96.9	Very high	98.5	Very high	157 Å²	157	42.2 Å²	42.2	59%	0.592	20%	0.204	S	C	*	.	H	α-helix	trans	-51.1	-34	173	-169.4	-180	-68	172.5	0.1	113.2	E231	E231-R261 VanDerWaalsContact OE1-CA 3.29Å; E231-R261 WeakPolarHBondContact OE1-CA 3.42Å; E231-R261 VanDerWaalsContact OE1-CB 3.24Å; E231-R261 WeakPolarHBondContact OE1-CB 3.42Å; E231-R261 IonicContact OE1-NE 3.81Å
262	K	97.5	Very high	98.5	Very high	183 Å²	183	38.7 Å²	38.7	80%	0.796	18%	0.179	S	C	*	.	H	α-helix	trans	-65.1	-45.1	-180	-67.1	-176.9	178.6	-179.5	0	111.1	S260	S260-K262 PolarHBondContact O-N 3.34Å; S260-K262 VanDerWaalsContact O-N 3.08Å; S260-K262 PolarHBondContact OG-N 3.01Å
263	N	98.3	Very high	98.5	Very high	31 Å²	31	41 Å²	41	17%	0.166	19%	0.192	C	C	.	.	H	α-helix	trans	-86.4	-12.2	-178.5	-73.2	-7.6	0	0	0	113.3	D92 C93 C259 S260 K265 E266 V267	D92-N263 PolarHBondContact OD1-ND2 3.11Å; C93-N263 PolarHBondContact O-ND2 3.03Å; C259-N263 HydrophobicContact CB-CB 3.75Å; S260-N263 PolarHBondContact O-N 3.41Å; N263-K265 VanDerWaalsContact C-N 3.3Å; N263-K265 PolarHBondContact O-N 3.01Å; N263-E266 PolarHBondContact O-N 2.9Å; N263-V267 HydrophobicContact CB-CG2 4.23Å; N263-V267 WeakPolarHBondContact O-CB 3.35Å; N263-V267 WeakPolarHBondContact O-CG2 3.19Å; N263-V267 PolarHBondContact O-N 3.49Å
264	A	98.1	Very high	98.5	Very high	31 Å²	31	41.8 Å²	41.8	26%	0.256	20%	0.197	S	C	.	.	H	α-helix	trans	-55	-41.8	-174.7	0	0	0	0	0	113.4	S260 G268	S260-A264 PolarHBondContact O-N 3.35Å; A264-G268 WeakPolarHBondContact O-CA 3.49Å; A264-G268 PolarHBondContact O-N 2.9Å
265	K	98	Very high	98.5	Very high	179 Å²	179	47 Å²	47	78%	0.778	23%	0.231	S	C	*	.	H	α-helix	trans	-64.7	-53.6	178.1	-67.8	-174.8	-180	-177.7	0	111.5	N263 G268 E269	N263-K265 VanDerWaalsContact C-N 3.3Å; N263-K265 PolarHBondContact O-N 3.01Å; K265-G268 PolarHBondContact O-N 2.78Å; K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 PolarHBondContact O-N 3.12Å
266	E	98.5	Very high	98.5	Very high	103 Å²	103	49.2 Å²	49.2	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-39.7	-175.1	-60.1	178.7	127.1	0	0	112.1	V95 N263 A270	V95-E266 HydrophobicContact CG2-CB 3.76Å; N263-E266 PolarHBondContact O-N 2.9Å; E266-A270 VanDerWaalsContact O-CB 3.26Å; E266-A270 WeakPolarHBondContact O-CB 3.17Å; E266-A270 PolarHBondContact O-N 3.31Å
267	V	98.8	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-45.4	175.5	172.2	0	0	0	0	110.9	C93 A98 K228 I257 C259 N263 A270 I271	C93-V267 VanDerWaalsContact O-CG2 3.26Å; C93-V267 WeakPolarHBondContact O-CG2 3.35Å; A98-V267 HydrophobicContact CB-CG1 4.19Å; K228-V267 HydrophobicContact CG-CG1 4.02Å; I257-V267 HydrophobicContact CD1-CG1 3.86Å; C259-V267 HydrophobicContact CB-CG2 4.13Å; N263-V267 HydrophobicContact CB-CG2 4.23Å; N263-V267 WeakPolarHBondContact O-CB 3.35Å; N263-V267 WeakPolarHBondContact O-CG2 3.19Å; N263-V267 PolarHBondContact O-N 3.49Å; V267-A270 PolarHBondContact O-N 2.83Å; V267-I271 WeakPolarHBondContact O-CG1 3.41Å; V267-I271 PolarHBondContact O-N 3.33Å
268	G	98.4	Very high	98.5	Very high	6 Å²	6	51.4 Å²	51.4	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-47.5	177	0	0	0	0	0	111.9	A264 K265 C272	A264-G268 WeakPolarHBondContact O-CA 3.49Å; A264-G268 PolarHBondContact O-N 2.9Å; K265-G268 PolarHBondContact O-N 2.78Å; G268-C272 WeakPolarHBondContact O-CB 3.44Å; G268-C272 PolarHBondContact O-N 3.1Å; G268-C272 PolarHBondContact O-SG 2.78Å
269	E	98.8	Very high	98.5	Very high	101 Å²	101	51.4 Å²	51.4	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-49.9	172.9	179.8	176.3	175	0	0	111.1	K265 I271 C272 T273	K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 PolarHBondContact O-N 3.12Å; E269-I271 PolarHBondContact O-N 2.9Å; E269-C272 CarbonylContact O-C 3.46Å; E269-C272 PolarHBondContact O-N 2.74Å; E269-T273 HydrophobicContact CG-CG2 4.08Å; E269-T273 WeakPolarHBondContact O-CB 3.36Å; E269-T273 VanDerWaalsContact O-CG2 3.29Å; E269-T273 WeakPolarHBondContact O-CG2 3.39Å; E269-T273 PolarHBondContact O-N 2.9Å; E269-T273 PolarHBondContact O-OG1 2.81Å
270	A	98.8	Very high	98.5	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-51.1	-176.9	0	0	0	0	0	112.5	V95 A98 E266 V267 C272 T273 D274	V95-A270 HydrophobicContact CG1-CB 4.03Å; V95-A270 HydrophobicContact CG2-CB 4.44Å; A98-A270 HydrophobicContact CB-CB 4.29Å; E266-A270 VanDerWaalsContact O-CB 3.26Å; E266-A270 WeakPolarHBondContact O-CB 3.17Å; E266-A270 PolarHBondContact O-N 3.31Å; V267-A270 PolarHBondContact O-N 2.83Å; A270-C272 VanDerWaalsContact C-N 3.34Å; A270-T273 PolarHBondContact O-N 3.25Å; A270-T273 PolarHBondContact O-OG1 3.17Å; A270-D274 WeakPolarHBondContact O-CB 3.46Å; A270-D274 PolarHBondContact O-N 3.17Å
271	I	98.8	Very high	98.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-74.9	-23.9	-179.2	68	-178.3	0	0	0	113.1	A98 V102 A199 I201 V226 K228 I257 V267 E269 V277	A98-I271 HydrophobicContact CB-CG2 3.87Å; V102-I271 HydrophobicContact CG2-CB 4.46Å; V102-I271 HydrophobicContact CG2-CG2 4.06Å; A199-I271 HydrophobicContact CB-CB 4.07Å; A199-I271 HydrophobicContact CB-CD1 4.02Å; A199-I271 HydrophobicContact CB-CG1 3.91Å; I201-I271 HydrophobicContact CD1-CD1 4.08Å; I201-I271 HydrophobicContact CD1-CG1 4.5Å; I201-I271 HydrophobicContact CG1-CD1 3.97Å; V226-I271 HydrophobicContact CG1-CG2 4.4Å; K228-I271 HydrophobicContact CB-CD1 4.19Å; I257-I271 HydrophobicContact CD1-CG2 3.92Å; V267-I271 WeakPolarHBondContact O-CG1 3.41Å; V267-I271 PolarHBondContact O-N 3.33Å; E269-I271 PolarHBondContact O-N 2.9Å; I271-V277 WeakPolarHBondContact O-CG2 3.27Å
272	C	98.8	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-88	-7.5	177.4	-65.1	0	0	0	0	113.6	G268 E269 A270 I280 L292 H295 K301	G268-C272 WeakPolarHBondContact O-CB 3.44Å; G268-C272 PolarHBondContact O-N 3.1Å; G268-C272 PolarHBondContact O-SG 2.78Å; E269-C272 CarbonylContact O-C 3.46Å; E269-C272 PolarHBondContact O-N 2.74Å; A270-C272 VanDerWaalsContact C-N 3.34Å; C272-I280 HydrophobicContact CB-CD1 3.58Å; C272-I280 HydrophobicContact CB-CG1 4.28Å; C272-L292 HydrophobicContact CB-CD2 4.49Å; C272-H295 HydrophobicContact CB-CB 3.94Å; C272-K301 WeakPolarHBondContact O-CD 3.37Å; C272-K301 WeakPolarHBondContact O-CE 3.24Å
273	T	98.9	Very high	98.7	Very high	49 Å²	49	35.3 Å²	35.3	30%	0.301	19%	0.191	S	C	.	.	H	α-helix	trans	-115.7	-20.3	178.2	57.5	0	0	0	0	113.2	E269 A270 H295	E269-T273 HydrophobicContact CG-CG2 4.08Å; E269-T273 WeakPolarHBondContact O-CB 3.36Å; E269-T273 VanDerWaalsContact O-CG2 3.29Å; E269-T273 WeakPolarHBondContact O-CG2 3.39Å; E269-T273 PolarHBondContact O-N 2.9Å; E269-T273 PolarHBondContact O-OG1 2.81Å; A270-T273 PolarHBondContact O-N 3.25Å; A270-T273 PolarHBondContact O-OG1 3.17Å; T273-H295 HydrophobicContact CG2-CB 3.84Å
274	D	98.8	Very high	98.6	Very high	19 Å²	19	34.7 Å²	34.7	10%	0.102	19%	0.192	C	C	.	.			trans	-55.9	129.3	-178.7	-164.9	-62.8	0	0	0	111	V102 A270 L276 V277 K301	V102-D274 HydrophobicContact CG1-CB 4.17Å; A270-D274 WeakPolarHBondContact O-CB 3.46Å; A270-D274 PolarHBondContact O-N 3.17Å; D274-L276 PolarHBondContact O-N 3.37Å; D274-L276 VanDerWaalsContact O-N 3.17Å; D274-L276 WeakPolarHBondContact OD1-CB 3.44Å; D274-L276 PolarHBondContact OD1-N 3.38Å; D274-V277 HydrophobicContact CB-CG2 4.27Å; D274-V277 PolarHBondContact O-N 3.01Å; D274-V277 VanDerWaalsContact O-N 3.08Å; D274-K301 PolarHBondContact O-NZ 3.13Å
275	P	98.7	Very high	98.5	Very high	111 Å²	111	35.8 Å²	35.8	72%	0.721	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.9	-176.7	25.7	-35.8	0	0	0	113.9	V277	P275-V277 VanDerWaalsContact C-N 3.32Å
276	L	98.9	Very high	98.3	Very high	46 Å²	46	28.7 Å²	28.7	24%	0.241	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.2	176.6	-57.2	-177.9	0	0	0	113	V102 R103 Y106 V197 D274	V102-L276 HydrophobicContact CG1-CB 3.75Å; V102-L276 HydrophobicContact CG1-CD1 4.48Å; R103-L276 HydrophobicContact CG-CD1 4.11Å; Y106-L276 HydrophobicContact CD1-CD1 4.2Å; Y106-L276 HydrophobicContact CD1-CD2 4.12Å; Y106-L276 HydrophobicContact CD2-CB 3.79Å; Y106-L276 HydrophobicContact CD2-CD2 3.94Å; Y106-L276 HydrophobicContact CD2-CG 4.29Å; Y106-L276 HydrophobicContact CE1-CD2 4.08Å; Y106-L276 HydrophobicContact CE2-CB 4.43Å; Y106-L276 HydrophobicContact CE2-CD2 3.9Å; Y106-L276 HydrophobicContact CG-CB 4.04Å; Y106-L276 HydrophobicContact CG-CD1 4Å; Y106-L276 HydrophobicContact CG-CD2 4.05Å; Y106-L276 HydrophobicContact CG-CG 4.25Å; V197-L276 WeakPolarHBondContact CB-O 3.37Å; D274-L276 PolarHBondContact O-N 3.37Å; D274-L276 VanDerWaalsContact O-N 3.17Å; D274-L276 WeakPolarHBondContact OD1-CB 3.44Å; D274-L276 PolarHBondContact OD1-N 3.38Å
277	V	98.9	Very high	98.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.9	173.6	178.9	0	0	0	0	109.5	V102 V197 A199 I271 D274 P275 K279 K301	V102-V277 HydrophobicContact CB-CG2 4.44Å; V102-V277 HydrophobicContact CG1-CG2 3.72Å; V102-V277 HydrophobicContact CG2-CG2 3.81Å; V197-V277 HydrophobicContact CG1-CG2 4.16Å; A199-V277 HydrophobicContact CB-CG1 3.85Å; I271-V277 WeakPolarHBondContact O-CG2 3.27Å; D274-V277 HydrophobicContact CB-CG2 4.27Å; D274-V277 PolarHBondContact O-N 3.01Å; D274-V277 VanDerWaalsContact O-N 3.08Å; P275-V277 VanDerWaalsContact C-N 3.32Å; V277-K279 VanDerWaalsContact CG1-O 3.28Å; V277-K279 WeakPolarHBondContact CG1-O 3.31Å; V277-K301 HydrophobicContact CG1-CD 4.32Å; V277-K301 WeakPolarHBondContact O-CD 3.46Å; V277-K301 WeakPolarHBondContact O-CE 3.15Å; V277-K301 PolarHBondContact O-NZ 3.17Å
278	S	98.8	Very high	98.1	Very high	44 Å²	44	31.5 Å²	31.5	31%	0.308	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-17.9	-175.5	-57.8	0	0	0	0	113.3	I195 V197 R302	I195-S278 VanDerWaalsContact CG2-CB 3.48Å; V197-S278 PolarHBondContact O-N 2.97Å; S278-R302 PolarHBondContact O-N 3.19Å
279	K	98.9	Very high	98.1	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.9	176.8	174	70.8	178.7	-163.1	0	110.6	I195 V197 A198 A199 V277 R302 V303 S304 E523 Y524	I195-K279 HydrophobicContact CD1-CB 4.48Å; I195-K279 HydrophobicContact CD1-CD 4.36Å; I195-K279 HydrophobicContact CG2-CB 4.17Å; V197-K279 PolarHBondContact O-N 3.43Å; A198-K279 CarbonylContact C-O 3.57Å; A198-K279 VanDerWaalsContact CA-O 3.24Å; A198-K279 WeakPolarHBondContact CA-O 3.37Å; A198-K279 HydrophobicContact CB-CB 3.89Å; A198-K279 HydrophobicContact CB-CG 4Å; A199-K279 PolarHBondContact N-O 3.09Å; V277-K279 VanDerWaalsContact CG1-O 3.28Å; V277-K279 WeakPolarHBondContact CG1-O 3.31Å; K279-R302 CarbonylContact C-O 3.59Å; K279-R302 WeakPolarHBondContact CA-O 3.18Å; K279-R302 HydrophobicContact CD-CB 3.71Å; K279-V303 PolarHBondContact NZ-O 3.18Å; K279-S304 WeakPolarHBondContact CE-OG 3.48Å; K279-S304 PolarHBondContact NZ-OG 3.25Å; K279-E523 WeakPolarHBondContact CD-O 3.33Å; K279-E523 WeakPolarHBondContact CE-O 3.4Å; K279-E523 PolarHBondContact NZ-O 2.92Å; K279-E523 IonicContact NZ-OE2 2.97Å; K279-E523 PolarHBondContact NZ-OE2 3.19Å; K279-Y524 HydrophobicContact CG-CD1 4.09Å; K279-Y524 HydrophobicContact CG-CE1 4Å
280	I	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.6	165.7	-63.2	160.4	0	0	0	108.3	A199 C272 A296 K301 R302 V303 S304	A199-I280 HydrophobicContact CB-CG1 4.39Å; A199-I280 CarbonylContact O-C 3.57Å; A199-I280 WeakPolarHBondContact O-CA 3.42Å; C272-I280 HydrophobicContact CB-CD1 3.58Å; C272-I280 HydrophobicContact CB-CG1 4.28Å; I280-A296 HydrophobicContact CD1-CB 3.69Å; I280-K301 HydrophobicContact CD1-CB 4.43Å; I280-K301 HydrophobicContact CD1-CD 3.89Å; I280-K301 HydrophobicContact CG1-CD 4.19Å; I280-R302 PolarHBondContact N-O 3.33Å; I280-V303 HydrophobicContact CB-CG2 4.47Å; I280-V303 WeakPolarHBondContact O-CA 3.13Å; I280-S304 PolarHBondContact O-N 2.98Å
281	S	98.9	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.1	166.6	-172.8	0	0	0	0	110.1	A199 V200 I201 K214 S304 E515 Y524	A199-S281 PolarHBondContact O-N 3.11Å; V200-S281 WeakPolarHBondContact CA-O 3.28Å; I201-S281 PolarHBondContact N-O 3.15Å; K214-S281 VanDerWaalsContact CD-OG 3.31Å; K214-S281 WeakPolarHBondContact CD-OG 3.3Å; K214-S281 PolarHBondContact NZ-OG 3.1Å; S281-S304 WeakPolarHBondContact CA-O 3.2Å; S281-S304 PolarHBondContact OG-OG 2.88Å; S281-E515 PolarHBondContact OG-OE1 3.46Å; S281-Y524 WeakPolarHBondContact CB-OH 3.21Å
282	F	98.9	Very high	98.1	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139	-176.4	169.3	-107.6	0	0	0	111.2	I201 G284 T288 L292 S304 M305 E306 L307	I201-F282 HydrophobicContact CB-CD2 3.8Å; I201-F282 HydrophobicContact CG2-CD2 3.65Å; I201-F282 HydrophobicContact CG2-CE2 3.94Å; I201-F282 WeakPolarHBondContact O-CA 3.44Å; F282-G284 VanDerWaalsContact CZ-CA 3.5Å; F282-T288 HydrophobicContact CE1-CG2 4.42Å; F282-T288 HydrophobicContact CE2-CG2 3.84Å; F282-T288 HydrophobicContact CZ-CG2 3.61Å; F282-L292 HydrophobicContact CB-CD1 3.93Å; F282-L292 HydrophobicContact CD1-CD1 4.15Å; F282-L292 HydrophobicContact CD2-CD1 3.54Å; F282-L292 HydrophobicContact CE2-CD1 4.03Å; F282-L292 HydrophobicContact CG-CD1 3.59Å; F282-S304 PolarHBondContact N-O 3.35Å; F282-S304 VanDerWaalsContact N-O 3.08Å; F282-M305 HydrophobicContact CB-CE 4.24Å; F282-M305 HydrophobicContact CB-CG 4.15Å; F282-M305 HydrophobicContact CD1-CG 4.37Å; F282-M305 HydrophobicContact CD1-SD 4.18Å; F282-M305 CarbonylContact O-C 3.57Å; F282-M305 VanDerWaalsContact O-CA 3.24Å; F282-M305 WeakPolarHBondContact O-CA 3.2Å; F282-E306 PolarHBondContact O-N 3.4Å; F282-L307 HydrophobicContact CD1-CD2 3.65Å; F282-L307 HydrophobicContact CE1-CD2 3.5Å
283	T	98.6	Very high	98.1	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.9	162	-58.2	0	0	0	0	109.4	I201 P203 M210 K214 E306	I201-T283 PolarHBondContact O-N 3.28Å; I201-T283 VanDerWaalsContact O-N 3.07Å; P203-T283 VanDerWaalsContact CD-O 3.26Å; P203-T283 WeakPolarHBondContact CD-O 3.41Å; P203-T283 HydrophobicContact CG-CG2 3.93Å; M210-T283 HydrophobicContact CE-CG2 4.25Å; M210-T283 HydrophobicContact SD-CG2 3.86Å; K214-T283 WeakPolarHBondContact CE-OG1 3.39Å; K214-T283 PolarHBondContact NZ-OG1 2.76Å; T283-E306 VanDerWaalsContact CA-O 3.23Å; T283-E306 WeakPolarHBondContact CA-O 3.47Å; T283-E306 HydrophobicContact CG2-CB 3.89Å; T283-E306 HydrophobicContact CG2-CG 4.07Å; T283-E306 WeakPolarHBondContact CG2-OE1 3.19Å
284	G	96.6	Very high	98.1	Very high	19 Å²	19	42.7 Å²	42.7	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	159.6	-153.3	178.3	0	0	0	0	0	113.7	F282 E306 L307 G308	F282-G284 VanDerWaalsContact CZ-CA 3.5Å; G284-E306 PolarHBondContact N-O 3.13Å; G284-L307 VanDerWaalsContact O-CA 3.31Å; G284-L307 WeakPolarHBondContact O-CA 3.22Å; G284-G308 PolarHBondContact O-N 2.99Å
285	S	94.8	Very high	98.1	Very high	54 Å²	54	43.5 Å²	43.5	38%	0.378	25%	0.245	S	C	.	.			trans	-66.7	145.9	-177.2	65.3	0	0	0	0	113	T287 T288 G289	S285-T287 PolarHBondContact O-N 3.49Å; S285-T288 PolarHBondContact O-N 3.43Å; S285-T288 VanDerWaalsContact O-N 3.13Å; S285-T288 WeakPolarHBondContact OG-CB 3.48Å; S285-T288 PolarHBondContact OG-N 3.39Å; S285-T288 PolarHBondContact OG-OG1 3.5Å; S285-G289 PolarHBondContact O-N 3.11Å
286	T	95	Very high	98.1	Very high	30 Å²	30	38.3 Å²	38.3	18%	0.184	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-38.3	175.3	-51.3	0	0	0	0	112.3	T288 G289 K290 L307	T286-T288 PolarHBondContact O-N 3.4Å; T286-G289 PolarHBondContact O-N 2.52Å; T286-K290 HydrophobicContact CG2-CD 4.41Å; T286-K290 WeakPolarHBondContact O-CG 3.33Å; T286-K290 PolarHBondContact O-N 3.35Å; T286-L307 HydrophobicContact CG2-CD1 4.31Å
287	T	95.7	Very high	98.1	Very high	103 Å²	103	39.3 Å²	39.3	63%	0.632	23%	0.227	S	C	*	.	H	α-helix	trans	-58.8	-47.1	176.2	-53	0	0	0	0	112	S285 I291	S285-T287 PolarHBondContact O-N 3.49Å; T287-I291 WeakPolarHBondContact O-CG1 3.47Å; T287-I291 PolarHBondContact O-N 3.03Å
288	T	97.7	Very high	98	Very high	58 Å²	58	45.7 Å²	45.7	36%	0.356	26%	0.261	S	S	.	.	H	α-helix	trans	-70.1	-41.6	179.1	-56.8	0	0	0	0	110.6	F282 S285 T286 K290 I291 L292	F282-T288 HydrophobicContact CE1-CG2 4.42Å; F282-T288 HydrophobicContact CE2-CG2 3.84Å; F282-T288 HydrophobicContact CZ-CG2 3.61Å; S285-T288 PolarHBondContact O-N 3.43Å; S285-T288 VanDerWaalsContact O-N 3.13Å; S285-T288 WeakPolarHBondContact OG-CB 3.48Å; S285-T288 PolarHBondContact OG-N 3.39Å; S285-T288 PolarHBondContact OG-OG1 3.5Å; T286-T288 PolarHBondContact O-N 3.4Å; T288-K290 VanDerWaalsContact C-N 3.33Å; T288-K290 PolarHBondContact O-N 3.35Å; T288-I291 WeakPolarHBondContact O-CB 3.46Å; T288-I291 PolarHBondContact O-N 3.46Å; T288-I291 VanDerWaalsContact O-N 3.14Å; T288-L292 HydrophobicContact CG2-CD1 4.26Å; T288-L292 HydrophobicContact CG2-CG 4.31Å; T288-L292 WeakPolarHBondContact O-CG 3.39Å; T288-L292 PolarHBondContact O-N 2.82Å
289	G	98.3	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.3	-45.3	176.7	0	0	0	0	0	113	S285 T286 I291 L292 L293 M305	S285-G289 PolarHBondContact O-N 3.11Å; T286-G289 PolarHBondContact O-N 2.52Å; G289-I291 PolarHBondContact O-N 3.48Å; G289-L292 PolarHBondContact O-N 3.01Å; G289-L293 PolarHBondContact O-N 3.48Å; G289-M305 WeakPolarHBondContact O-CE 3.26Å
290	K	98.3	Very high	98	Very high	101 Å²	101	52.5 Å²	52.5	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-41.6	176.4	-72.2	179.7	178.7	179.5	0	112.6	T286 T288 L292 L293 H294	T286-K290 HydrophobicContact CG2-CD 4.41Å; T286-K290 WeakPolarHBondContact O-CG 3.33Å; T286-K290 PolarHBondContact O-N 3.35Å; T288-K290 VanDerWaalsContact C-N 3.33Å; T288-K290 PolarHBondContact O-N 3.35Å; K290-L292 PolarHBondContact O-N 3.17Å; K290-L293 WeakPolarHBondContact O-CB 3.43Å; K290-L293 PolarHBondContact O-N 2.98Å; K290-H294 PolarHBondContact O-CD2 3.17Å; K290-H294 PolarHBondContact O-N 2.9Å; K290-H294 VanDerWaalsContact O-N 3.11Å
291	I	98.7	Very high	98	Very high	88 Å²	88	53.5 Å²	53.5	45%	0.451	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-46.3	174.6	-68.3	162.2	0	0	0	110.7	T287 T288 G289 L293 H294 H295	T287-I291 WeakPolarHBondContact O-CG1 3.47Å; T287-I291 PolarHBondContact O-N 3.03Å; T288-I291 WeakPolarHBondContact O-CB 3.46Å; T288-I291 PolarHBondContact O-N 3.46Å; T288-I291 VanDerWaalsContact O-N 3.14Å; G289-I291 PolarHBondContact O-N 3.48Å; I291-L293 VanDerWaalsContact C-N 3.33Å; I291-L293 PolarHBondContact O-N 2.97Å; I291-H294 WeakPolarHBondContact O-CB 3.37Å; I291-H294 PolarHBondContact O-N 3.3Å; I291-H294 VanDerWaalsContact O-N 3.15Å; I291-H295 PolarHBondContact O-CD2 3.37Å; I291-H295 PolarHBondContact O-N 3.43Å; I291-H295 VanDerWaalsContact O-N 3.1Å
292	L	98.7	Very high	98	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-33.8	179.5	-62.2	-177.3	0	0	0	112.6	I201 C272 F282 T288 G289 K290 H294 H295 A296 M305	I201-L292 HydrophobicContact CD1-CD1 3.8Å; I201-L292 HydrophobicContact CD1-CD2 4.31Å; C272-L292 HydrophobicContact CB-CD2 4.49Å; F282-L292 HydrophobicContact CB-CD1 3.93Å; F282-L292 HydrophobicContact CD1-CD1 4.15Å; F282-L292 HydrophobicContact CD2-CD1 3.54Å; F282-L292 HydrophobicContact CE2-CD1 4.03Å; F282-L292 HydrophobicContact CG-CD1 3.59Å; T288-L292 HydrophobicContact CG2-CD1 4.26Å; T288-L292 HydrophobicContact CG2-CG 4.31Å; T288-L292 WeakPolarHBondContact O-CG 3.39Å; T288-L292 PolarHBondContact O-N 2.82Å; G289-L292 PolarHBondContact O-N 3.01Å; K290-L292 PolarHBondContact O-N 3.17Å; L292-H294 VanDerWaalsContact C-N 3.34Å; L292-H295 PolarHBondContact O-N 3.1Å; L292-A296 WeakPolarHBondContact O-CB 3.47Å; L292-A296 PolarHBondContact O-N 3.16Å; L292-M305 HydrophobicContact CB-CE 3.65Å
293	L	98.7	Very high	98	Very high	60 Å²	60	58 Å²	58	31%	0.314	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-40.9	171.1	-79.7	169.3	0	0	0	111.9	G289 K290 I291 H295 A296 A297 V303 M305 L512	G289-L293 PolarHBondContact O-N 3.48Å; K290-L293 WeakPolarHBondContact O-CB 3.43Å; K290-L293 PolarHBondContact O-N 2.98Å; I291-L293 VanDerWaalsContact C-N 3.33Å; I291-L293 PolarHBondContact O-N 2.97Å; L293-H295 VanDerWaalsContact C-N 3.34Å; L293-H295 PolarHBondContact O-N 3.42Å; L293-A296 WeakPolarHBondContact O-CB 3.11Å; L293-A296 PolarHBondContact O-N 3.47Å; L293-A297 PolarHBondContact O-N 3.35Å; L293-V303 HydrophobicContact CD2-CB 4.24Å; L293-V303 HydrophobicContact CD2-CG1 3.77Å; L293-V303 HydrophobicContact CD2-CG2 4.22Å; L293-M305 HydrophobicContact CD1-SD 4.14Å; L293-M305 HydrophobicContact CD2-CE 4.19Å; L293-M305 HydrophobicContact CD2-SD 4.27Å; L293-M305 HydrophobicContact CG-CE 3.83Å; L293-M305 HydrophobicContact CG-SD 3.79Å; L293-L512 HydrophobicContact CD2-CD1 3.87Å
294	H	98.7	Very high	98	Very high	139 Å²	139	57.8 Å²	57.8	64%	0.644	33%	0.325	S	S	*	.	H	α-helix	trans	-63.1	-39.3	174.1	-76.5	-68.7	0	0	0	112.4	K290 I291 L292 N298	K290-H294 PolarHBondContact O-CD2 3.17Å; K290-H294 PolarHBondContact O-N 2.9Å; K290-H294 VanDerWaalsContact O-N 3.11Å; I291-H294 WeakPolarHBondContact O-CB 3.37Å; I291-H294 PolarHBondContact O-N 3.3Å; I291-H294 VanDerWaalsContact O-N 3.15Å; L292-H294 VanDerWaalsContact C-N 3.34Å; H294-N298 PolarHBondContact O-ND2 2.75Å
295	H	98.7	Very high	98.1	Very high	35 Å²	35	57.1 Å²	57.1	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-43.6	173.3	-65.3	-43.4	0	0	0	112	C272 T273 I291 L292 L293 A297 N298	C272-H295 HydrophobicContact CB-CB 3.94Å; T273-H295 HydrophobicContact CG2-CB 3.84Å; I291-H295 PolarHBondContact O-CD2 3.37Å; I291-H295 PolarHBondContact O-N 3.43Å; I291-H295 VanDerWaalsContact O-N 3.1Å; L292-H295 PolarHBondContact O-N 3.1Å; L293-H295 VanDerWaalsContact C-N 3.34Å; L293-H295 PolarHBondContact O-N 3.42Å; H295-A297 VanDerWaalsContact C-N 3.32Å; H295-A297 PolarHBondContact O-N 3.49Å; H295-N298 PolarHBondContact O-N 3.44Å
296	A	98.7	Very high	98.3	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-39	179.5	0	0	0	0	0	112.6	I280 L292 L293 N298 S299 V300 K301 V303	I280-A296 HydrophobicContact CD1-CB 3.69Å; L292-A296 WeakPolarHBondContact O-CB 3.47Å; L292-A296 PolarHBondContact O-N 3.16Å; L293-A296 WeakPolarHBondContact O-CB 3.11Å; L293-A296 PolarHBondContact O-N 3.47Å; A296-N298 VanDerWaalsContact C-N 3.26Å; A296-N298 PolarHBondContact O-N 3.03Å; A296-S299 PolarHBondContact O-N 3.05Å; A296-S299 VanDerWaalsContact O-N 3.17Å; A296-V300 PolarHBondContact O-N 3.2Å; A296-K301 HydrophobicContact CB-CB 4.26Å; A296-K301 PolarHBondContact O-N 3.12Å; A296-V303 HydrophobicContact CB-CG2 3.59Å
297	A	98.7	Very high	98.3	Very high	66 Å²	66	53.8 Å²	53.8	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-57.2	-36.2	-176	0	0	0	0	0	113.1	L293 H295 S299 V300	L293-A297 PolarHBondContact O-N 3.35Å; H295-A297 VanDerWaalsContact C-N 3.32Å; H295-A297 PolarHBondContact O-N 3.49Å; A297-S299 PolarHBondContact O-N 3.07Å; A297-S299 VanDerWaalsContact O-N 3.11Å; A297-V300 PolarHBondContact O-N 3.34Å
298	N	98.5	Very high	97.7	Very high	137 Å²	137	49.1 Å²	49.1	73%	0.733	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.6	-178	-66.9	-46.3	0	0	0	114.3	H294 H295 A296	H294-N298 PolarHBondContact O-ND2 2.75Å; H295-N298 PolarHBondContact O-N 3.44Å; A296-N298 VanDerWaalsContact C-N 3.26Å; A296-N298 PolarHBondContact O-N 3.03Å
299	S	98.5	Very high	96.9	Very high	53 Å²	53	46.4 Å²	46.4	37%	0.371	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	17.5	177	54.7	0	0	0	0	113	A296 A297 K301	A296-S299 PolarHBondContact O-N 3.05Å; A296-S299 VanDerWaalsContact O-N 3.17Å; A297-S299 PolarHBondContact O-N 3.07Å; A297-S299 VanDerWaalsContact O-N 3.11Å; S299-K301 PolarHBondContact O-N 2.84Å; S299-K301 VanDerWaalsContact O-N 3.16Å; S299-K301 WeakPolarHBondContact OG-CE 3.37Å; S299-K301 VanDerWaalsContact OG-CG 3.25Å; S299-K301 WeakPolarHBondContact OG-CG 3.23Å; S299-K301 PolarHBondContact OG-NZ 3.06Å
300	V	98.7	Very high	96.5	Very high	135 Å²	135	47 Å²	47	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	42	176.8	-160.2	0	0	0	0	111.8	A296 A297	A296-V300 PolarHBondContact O-N 3.2Å; A297-V300 PolarHBondContact O-N 3.34Å
301	K	98.8	Very high	96.3	Very high	21 Å²	21	42.2 Å²	42.2	9%	0.091	23%	0.232	C	C	.	.			trans	-66.7	146.8	-179.9	-55.5	-165.9	-171.3	-53.7	0	109.9	C272 D274 V277 I280 A296 S299	C272-K301 WeakPolarHBondContact O-CD 3.37Å; C272-K301 WeakPolarHBondContact O-CE 3.24Å; D274-K301 PolarHBondContact O-NZ 3.13Å; V277-K301 HydrophobicContact CG1-CD 4.32Å; V277-K301 WeakPolarHBondContact O-CD 3.46Å; V277-K301 WeakPolarHBondContact O-CE 3.15Å; V277-K301 PolarHBondContact O-NZ 3.17Å; I280-K301 HydrophobicContact CD1-CB 4.43Å; I280-K301 HydrophobicContact CD1-CD 3.89Å; I280-K301 HydrophobicContact CG1-CD 4.19Å; A296-K301 HydrophobicContact CB-CB 4.26Å; A296-K301 PolarHBondContact O-N 3.12Å; S299-K301 PolarHBondContact O-N 2.84Å; S299-K301 VanDerWaalsContact O-N 3.16Å; S299-K301 WeakPolarHBondContact OG-CE 3.37Å; S299-K301 VanDerWaalsContact OG-CG 3.25Å; S299-K301 WeakPolarHBondContact OG-CG 3.23Å; S299-K301 PolarHBondContact OG-NZ 3.06Å
302	R	98.8	Very high	96.2	Very high	79 Å²	79	38.4 Å²	38.4	30%	0.298	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	143.9	165.8	-69.1	-78.6	-60.4	-76	-1.9	108.5	I195 S278 K279 I280 D522 L525 E526	I195-R302 HydrophobicContact CD1-CB 4.13Å; I195-R302 HydrophobicContact CD1-CG 4.05Å; S278-R302 PolarHBondContact O-N 3.19Å; K279-R302 CarbonylContact C-O 3.59Å; K279-R302 WeakPolarHBondContact CA-O 3.18Å; K279-R302 HydrophobicContact CD-CB 3.71Å; I280-R302 PolarHBondContact N-O 3.33Å; R302-D522 PolarHBondContact NH2-O 3.5Å; R302-L525 PolarHBondContact NH1-O 2.66Å; R302-E526 IonicContact CZ-OE1 2.98Å; R302-E526 VanDerWaalsContact NH1-CD 3.33Å; R302-E526 IonicContact NH1-OE1 3.71Å; R302-E526 PolarHBondContact NH1-OE1 3.17Å; R302-E526 IonicContact NH1-OE2 3.07Å
303	V	98.8	Very high	96.2	Very high	24 Å²	24	38 Å²	38	15%	0.145	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.8	-177.5	177.8	0	0	0	0	110.2	K279 I280 L293 A296 M305 L512	K279-V303 PolarHBondContact NZ-O 3.18Å; I280-V303 HydrophobicContact CB-CG2 4.47Å; I280-V303 WeakPolarHBondContact O-CA 3.13Å; L293-V303 HydrophobicContact CD2-CB 4.24Å; L293-V303 HydrophobicContact CD2-CG1 3.77Å; L293-V303 HydrophobicContact CD2-CG2 4.22Å; A296-V303 HydrophobicContact CB-CG2 3.59Å; V303-M305 HydrophobicContact CG1-CE 3.62Å; V303-M305 HydrophobicContact CG1-CG 3.58Å; V303-M305 HydrophobicContact CG1-SD 4.04Å; V303-L512 HydrophobicContact CG1-CD1 4.25Å
304	S	98.8	Very high	96.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.4	160.3	50.4	0	0	0	0	108.5	K279 I280 S281 F282 L512	K279-S304 WeakPolarHBondContact CE-OG 3.48Å; K279-S304 PolarHBondContact NZ-OG 3.25Å; I280-S304 PolarHBondContact O-N 2.98Å; S281-S304 WeakPolarHBondContact CA-O 3.2Å; S281-S304 PolarHBondContact OG-OG 2.88Å; F282-S304 PolarHBondContact N-O 3.35Å; F282-S304 VanDerWaalsContact N-O 3.08Å; S304-L512 CarbonylContact C-O 3.6Å; S304-L512 VanDerWaalsContact CA-O 3.3Å; S304-L512 WeakPolarHBondContact CA-O 3.19Å
305	M	98.4	Very high	96.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.02	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.5	-177.8	-65.5	-168.9	171.1	0	0	111.5	F282 G289 L292 L293 V303 L307 G511 L512	F282-M305 HydrophobicContact CB-CE 4.24Å; F282-M305 HydrophobicContact CB-CG 4.15Å; F282-M305 HydrophobicContact CD1-CG 4.37Å; F282-M305 HydrophobicContact CD1-SD 4.18Å; F282-M305 CarbonylContact O-C 3.57Å; F282-M305 VanDerWaalsContact O-CA 3.24Å; F282-M305 WeakPolarHBondContact O-CA 3.2Å; G289-M305 WeakPolarHBondContact O-CE 3.26Å; L292-M305 HydrophobicContact CB-CE 3.65Å; L293-M305 HydrophobicContact CD1-SD 4.14Å; L293-M305 HydrophobicContact CD2-CE 4.19Å; L293-M305 HydrophobicContact CD2-SD 4.27Å; L293-M305 HydrophobicContact CG-CE 3.83Å; L293-M305 HydrophobicContact CG-SD 3.79Å; V303-M305 HydrophobicContact CG1-CE 3.62Å; V303-M305 HydrophobicContact CG1-CG 3.58Å; V303-M305 HydrophobicContact CG1-SD 4.04Å; M305-L307 HydrophobicContact CB-CD2 4.07Å; M305-L307 HydrophobicContact CB-CG 4.15Å; M305-L307 HydrophobicContact SD-CD2 4.35Å; M305-G511 CarbonylContact O-C 3.59Å; M305-G511 WeakPolarHBondContact O-CA 3.49Å; M305-L512 PolarHBondContact N-O 2.9Å; M305-L512 PolarHBondContact O-N 3.23Å
306	E	98.3	Very high	96.2	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.1	165	-178.4	-167.4	119.5	0	0	107.5	R213 F282 T283 G284 C340 L466 F504	R213-E306 IonicContact NH1-OE2 3.18Å; R213-E306 PolarHBondContact NH1-OE2 3.26Å; R213-E306 VanDerWaalsContact NH1-OE2 3.07Å; F282-E306 PolarHBondContact O-N 3.4Å; T283-E306 VanDerWaalsContact CA-O 3.23Å; T283-E306 WeakPolarHBondContact CA-O 3.47Å; T283-E306 HydrophobicContact CG2-CB 3.89Å; T283-E306 HydrophobicContact CG2-CG 4.07Å; T283-E306 WeakPolarHBondContact CG2-OE1 3.19Å; G284-E306 PolarHBondContact N-O 3.13Å; E306-C340 PolarHBondContact OE1-SG 3.43Å; E306-L466 HydrophobicContact CG-CD1 4.12Å; E306-L466 HydrophobicContact CG-CD2 4.33Å; E306-F504 WeakPolarHBondContact OE2-CD1 3.33Å; E306-F504 WeakPolarHBondContact OE2-CE1 3.45Å
307	L	95.9	Very high	96.2	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	17%	0.174	C	C	.	.			trans	-111.3	179.8	-173.6	-53.8	-179.2	0	0	0	110.6	F282 G284 T286 M305 Q509 S510	F282-L307 HydrophobicContact CD1-CD2 3.65Å; F282-L307 HydrophobicContact CE1-CD2 3.5Å; G284-L307 VanDerWaalsContact O-CA 3.31Å; G284-L307 WeakPolarHBondContact O-CA 3.22Å; T286-L307 HydrophobicContact CG2-CD1 4.31Å; M305-L307 HydrophobicContact CB-CD2 4.07Å; M305-L307 HydrophobicContact CB-CG 4.15Å; M305-L307 HydrophobicContact SD-CD2 4.35Å; L307-Q509 WeakPolarHBondContact CD1-O 3.17Å; L307-S510 PolarHBondContact N-O 3.15Å
308	G	83.6	Confident	96.2	Very high	5 Å²	5	29.3 Å²	29.3	5%	0.052	17%	0.165	C	C	.	.			trans	-56.5	152.9	-178.7	0	0	0	0	0	113.3	G284 E438 S510	G284-G308 PolarHBondContact O-N 2.99Å; G308-E438 VanDerWaalsContact CA-CD 3.49Å; G308-E438 VanDerWaalsContact CA-OE1 3.24Å; G308-E438 WeakPolarHBondContact CA-OE1 3.49Å; G308-E438 WeakPolarHBondContact CA-OE2 3.48Å; G308-S510 PolarHBondContact O-OG 2.82Å
309	G	81.5	Confident	96.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	13%	0.134	C	C	.	.			trans	-135.8	155.6	-179.9	0	0	0	0	0	113	N344 E438	G309-N344 PolarHBondContact O-ND2 2.71Å; G309-E438 PolarHBondContact N-OE1 3.35Å; G309-E438 WeakPolarHBondContact O-CG 3.31Å
310	L	88.5	Confident	96.2	Very high	13 Å²	13	24.2 Å²	24.2	7%	0.068	14%	0.135	C	C	.	.			trans	-116.4	98	161.5	-71.1	172.3	0	0	0	105.7	P312 N344 A462 V464	L310-P312 WeakPolarHBondContact O-CD 3.48Å; L310-N344 HydrophobicContact CD2-CB 3.88Å; L310-A462 HydrophobicContact CD1-CB 4.19Å; L310-V464 HydrophobicContact CB-CG2 3.88Å; L310-V464 HydrophobicContact CD1-CG2 4.14Å; L310-V464 HydrophobicContact CG-CG2 3.96Å
311	A	94.6	Very high	96.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.3	-177.8	0	0	0	0	0	110.1	S343 N344 A467 Y469	A311-S343 WeakPolarHBondContact O-CA 3.39Å; A311-N344 PolarHBondContact O-N 2.77Å; A311-A467 WeakPolarHBondContact CA-O 3.45Å; A311-A467 HydrophobicContact CB-CB 4.25Å; A311-A467 VanDerWaalsContact CB-O 3.27Å; A311-A467 WeakPolarHBondContact CB-O 3.46Å; A311-Y469 HydrophobicContact CB-CD2 4.36Å; A311-Y469 HydrophobicContact CB-CE2 4.02Å
312	P	96.5	Very high	96.2	Very high	7 Å²	7	24 Å²	24	5%	0.045	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	142.6	172.1	30.4	-35.5	0	0	0	109.8	L310 I314 A459 A467 Y469 L485	L310-P312 WeakPolarHBondContact O-CD 3.48Å; P312-I314 HydrophobicContact CB-CG1 4.45Å; P312-A459 HydrophobicContact CB-CB 3.81Å; P312-A459 HydrophobicContact CG-CB 3.92Å; P312-A467 WeakPolarHBondContact CD-O 3.24Å; P312-Y469 PolarHBondContact O-N 2.98Å; P312-L485 HydrophobicContact CG-CD2 4.45Å
313	F	98.3	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.2	171.2	-169.5	-74.2	0	0	0	108.5	V315 A324 A328 Q345 F346 L347 Y469 Y471	F313-V315 HydrophobicContact CD1-CG2 3.74Å; F313-V315 HydrophobicContact CE1-CG2 3.55Å; F313-A324 WeakPolarHBondContact CZ-O 3.48Å; F313-A328 HydrophobicContact CE1-CB 4.15Å; F313-A328 HydrophobicContact CE2-CB 4.47Å; F313-A328 HydrophobicContact CZ-CB 3.98Å; F313-Q345 PolarHBondContact N-O 3.32Å; F313-F346 HydrophobicContact CB-CD1 3.73Å; F313-F346 HydrophobicContact CB-CE1 3.83Å; F313-F346 HydrophobicContact CB-CG 4.39Å; F313-F346 AromaticContact CD1-CD1 3.51Å; F313-F346 HydrophobicContact CD1-CD1 3.51Å; F313-F346 AromaticContact CD1-CE1 3.63Å; F313-F346 HydrophobicContact CD1-CE1 3.63Å; F313-F346 HydrophobicContact CD2-CE1 4.1Å; F313-F346 HydrophobicContact CE1-CD1 4.28Å; F313-F346 HydrophobicContact CE1-CE1 4.17Å; F313-F346 AromaticContact CG-CD1 3.74Å; F313-F346 HydrophobicContact CG-CD1 3.74Å; F313-F346 AromaticContact CG-CE1 3.58Å; F313-F346 HydrophobicContact CG-CE1 3.58Å; F313-F346 CarbonylContact O-C 3.6Å; F313-F346 WeakPolarHBondContact O-CA 3.31Å; F313-L347 PolarHBondContact O-N 3.2Å; F313-Y469 CarbonylContact C-O 3.47Å; F313-Y469 WeakPolarHBondContact CA-O 3.3Å; F313-Y469 VanDerWaalsContact CD2-CB 3.47Å; F313-Y469 HydrophobicContact CD2-CD2 4.25Å; F313-Y469 AromaticContact CD2-CG 3.96Å; F313-Y469 HydrophobicContact CD2-CG 3.96Å; F313-Y469 HydrophobicContact CE2-CG 4.46Å; F313-Y471 AromaticContact CE1-CD2 3.82Å; F313-Y471 HydrophobicContact CE1-CD2 3.82Å; F313-Y471 HydrophobicContact CE1-CE2 4.08Å; F313-Y471 HydrophobicContact CE2-CD2 4.23Å; F313-Y471 AromaticContact CE2-CE2 3.76Å; F313-Y471 HydrophobicContact CE2-CE2 3.76Å; F313-Y471 AromaticContact CZ-CD2 3.47Å; F313-Y471 HydrophobicContact CZ-CD2 3.47Å; F313-Y471 VanDerWaalsContact CZ-CD2 3.47Å; F313-Y471 AromaticContact CZ-CE2 3.25Å; F313-Y471 HydrophobicContact CZ-CE2 3.25Å
314	I	98.8	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	-171.6	-44.2	-178.9	0	0	0	110.3	P312 F316 L347 F449 A455 A459 Y469 F470 Y471 V481 L485	P312-I314 HydrophobicContact CB-CG1 4.45Å; I314-F316 HydrophobicContact CB-CE2 4.26Å; I314-F316 HydrophobicContact CB-CZ 4.48Å; I314-F316 HydrophobicContact CG2-CD1 4.46Å; I314-F316 HydrophobicContact CG2-CD2 4.19Å; I314-F316 HydrophobicContact CG2-CE1 3.98Å; I314-F316 HydrophobicContact CG2-CE2 3.69Å; I314-F316 HydrophobicContact CG2-CZ 3.58Å; I314-L347 CarbonylContact C-O 3.43Å; I314-L347 VanDerWaalsContact CA-O 3.28Å; I314-L347 WeakPolarHBondContact CA-O 3.35Å; I314-L347 HydrophobicContact CD1-CD1 4.42Å; I314-L347 HydrophobicContact CG1-CB 4.28Å; I314-L347 HydrophobicContact CG1-CD1 4.18Å; I314-L347 HydrophobicContact CG2-CB 4.29Å; I314-F449 HydrophobicContact CG2-CE1 3.78Å; I314-F449 HydrophobicContact CG2-CZ 3.82Å; I314-A455 HydrophobicContact CG2-CB 3.99Å; I314-A459 HydrophobicContact CD1-CB 4.12Å; I314-Y469 PolarHBondContact N-O 2.88Å; I314-F470 HydrophobicContact CB-CB 3.77Å; I314-F470 HydrophobicContact CG1-CB 4.44Å; I314-F470 CarbonylContact O-C 3.53Å; I314-F470 WeakPolarHBondContact O-CA 3.44Å; I314-F470 WeakPolarHBondContact O-CB 3.42Å; I314-Y471 PolarHBondContact O-N 3.35Å; I314-V481 HydrophobicContact CD1-CG1 4.49Å; I314-L485 HydrophobicContact CD1-CD1 4.39Å; I314-L485 HydrophobicContact CD1-CD2 4.09Å
315	V	98.9	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	105.6	176.6	-174.3	0	0	0	0	108.3	F313 A319 A324 L347 V348 Q349 I352 F356	F313-V315 HydrophobicContact CD1-CG2 3.74Å; F313-V315 HydrophobicContact CE1-CG2 3.55Å; V315-A319 HydrophobicContact CG1-CB 3.75Å; V315-A324 HydrophobicContact CG1-CB 3.98Å; V315-A324 HydrophobicContact CG2-CB 4.24Å; V315-L347 PolarHBondContact N-O 3.47Å; V315-V348 HydrophobicContact CB-CG1 4.13Å; V315-V348 HydrophobicContact CB-CG2 4.25Å; V315-V348 HydrophobicContact CG1-CG1 4.48Å; V315-V348 HydrophobicContact CG2-CG2 4.3Å; V315-Q349 PolarHBondContact O-N 2.68Å; V315-I352 HydrophobicContact CG1-CD1 4.4Å; V315-I352 HydrophobicContact CG1-CG2 4.17Å; V315-F356 HydrophobicContact CG1-CD2 4.18Å; V315-F356 HydrophobicContact CG2-CD2 4.23Å; V315-F356 HydrophobicContact CG2-CE2 3.88Å; V315-F356 HydrophobicContact CG2-CZ 4.14Å
316	F	98.9	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.			trans	-80.3	160.9	176.1	-64.9	-76	0	0	0	111.3	I314 S318 A319 F449 E452 A455 F470 Y471 Q477 V481	I314-F316 HydrophobicContact CB-CE2 4.26Å; I314-F316 HydrophobicContact CB-CZ 4.48Å; I314-F316 HydrophobicContact CG2-CD1 4.46Å; I314-F316 HydrophobicContact CG2-CD2 4.19Å; I314-F316 HydrophobicContact CG2-CE1 3.98Å; I314-F316 HydrophobicContact CG2-CE2 3.69Å; I314-F316 HydrophobicContact CG2-CZ 3.58Å; F316-S318 PolarHBondContact O-N 3.26Å; F316-S318 VanDerWaalsContact O-N 3.15Å; F316-A319 WeakPolarHBondContact O-CB 3.21Å; F316-A319 PolarHBondContact O-N 2.99Å; F316-F449 HydrophobicContact CD1-CE2 4.15Å; F316-F449 AromaticContact CD1-CZ 3.87Å; F316-F449 HydrophobicContact CD1-CZ 3.87Å; F316-F449 HydrophobicContact CE1-CE2 4.18Å; F316-F449 AromaticContact CE1-CZ 3.99Å; F316-F449 HydrophobicContact CE1-CZ 3.99Å; F316-E452 HydrophobicContact CE1-CB 4.12Å; F316-E452 HydrophobicContact CE1-CG 4Å; F316-E452 HydrophobicContact CZ-CG 4.26Å; F316-A455 HydrophobicContact CE1-CB 4.44Å; F316-F470 HydrophobicContact CD2-CD2 4.29Å; F316-F470 HydrophobicContact CE2-CB 4.13Å; F316-F470 AromaticContact CE2-CD2 3.98Å; F316-F470 HydrophobicContact CE2-CD2 3.98Å; F316-F470 HydrophobicContact CE2-CG 4.3Å; F316-Y471 WeakPolarHBondContact CD2-O 3.47Å; F316-Y471 PolarHBondContact N-O 2.91Å; F316-Y471 VanDerWaalsContact N-O 3.16Å; F316-Q477 VanDerWaalsContact CB-OE1 3.32Å; F316-Q477 HydrophobicContact CD2-CG 4.39Å; F316-Q477 HydrophobicContact CE2-CG 4.33Å; F316-Q477 HydrophobicContact CZ-CG 4.48Å; F316-V481 HydrophobicContact CE2-CB 4.48Å; F316-V481 HydrophobicContact CE2-CG1 4.19Å; F316-V481 HydrophobicContact CE2-CG2 3.82Å; F316-V481 HydrophobicContact CZ-CG1 4.24Å; F316-V481 HydrophobicContact CZ-CG2 3.56Å
317	D	98.8	Very high	96.2	Very high	71 Å²	71	26.9 Å²	26.9	38%	0.38	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.4	-179.3	-74	-29.1	0	0	0	113.3	A319 Q349 G351 I352	D317-A319 VanDerWaalsContact C-N 3.26Å; D317-A319 PolarHBondContact O-N 2.73Å; D317-Q349 WeakPolarHBondContact OD1-CB 3.25Å; D317-Q349 VanDerWaalsContact OD2-CD 3.25Å; D317-Q349 WeakPolarHBondContact OD2-CG 3.36Å; D317-Q349 PolarHBondContact OD2-OE1 3.08Å; D317-G351 VanDerWaalsContact OD1-C 3.29Å; D317-G351 WeakPolarHBondContact OD1-CA 3.27Å; D317-G351 PolarHBondContact OD1-N 2.8Å; D317-I352 PolarHBondContact OD1-N 3.14Å
318	S	98.6	Very high	96.3	Very high	50 Å²	50	26.4 Å²	26.4	35%	0.35	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.2	177.1	69.6	0	0	0	0	113.7	F316 S472 Q473	F316-S318 PolarHBondContact O-N 3.26Å; F316-S318 VanDerWaalsContact O-N 3.15Å; S318-S472 PolarHBondContact OG-OG 3.02Å; S318-S472 VanDerWaalsContact OG-OG 3.06Å; S318-Q473 VanDerWaalsContact O-CB 3.3Å; S318-Q473 WeakPolarHBondContact O-CB 3.31Å; S318-Q473 WeakPolarHBondContact O-CG 3.2Å; S318-Q473 PolarHBondContact OG-N 3.04Å
319	A	98.8	Very high	97	Very high	9 Å²	9	27.3 Å²	27.3	7%	0.074	16%	0.158	C	C	.	.	S	Bend	trans	-62	145	-177.8	0	0	0	0	0	112.1	V315 F316 D317 V321 I352	V315-A319 HydrophobicContact CG1-CB 3.75Å; F316-A319 WeakPolarHBondContact O-CB 3.21Å; F316-A319 PolarHBondContact O-N 2.99Å; D317-A319 VanDerWaalsContact C-N 3.26Å; D317-A319 PolarHBondContact O-N 2.73Å; A319-V321 PolarHBondContact O-N 3.25Å; A319-I352 HydrophobicContact CB-CD1 4.17Å; A319-I352 WeakPolarHBondContact O-CD1 3.38Å
320	N	98.6	Very high	97.8	Very high	73 Å²	73	28.7 Å²	28.7	39%	0.39	17%	0.169	S	C	.	.			trans	-72	112.6	162.3	-179.5	-48.4	0	0	0	108.7	D322 Q323 A324	N320-D322 PolarHBondContact O-N 3.06Å; N320-D322 PolarHBondContact OD1-N 2.89Å; N320-D322 VanDerWaalsContact OD1-N 3.11Å; N320-Q323 HydrophobicContact CB-CB 4.04Å; N320-Q323 HydrophobicContact CB-CG 4.03Å; N320-Q323 PolarHBondContact O-N 3.19Å; N320-Q323 PolarHBondContact OD1-N 3.47Å; N320-Q323 VanDerWaalsContact OD1-N 3.1Å; N320-A324 WeakPolarHBondContact O-CB 3.49Å; N320-A324 PolarHBondContact O-N 2.68Å
321	V	98.5	Very high	98.2	Very high	36 Å²	36	28.2 Å²	28.2	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-55.3	-47.6	-175.8	178.4	0	0	0	0	112	A319 Q323 A324 V325 I352 A359	A319-V321 PolarHBondContact O-N 3.25Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 3.27Å; V321-A324 PolarHBondContact O-N 3.14Å; V321-V325 HydrophobicContact CG1-CG2 4.33Å; V321-V325 WeakPolarHBondContact O-CB 3.24Å; V321-V325 WeakPolarHBondContact O-CG2 3.15Å; V321-V325 PolarHBondContact O-N 2.6Å; V321-I352 HydrophobicContact CG2-CD1 3.39Å; V321-I352 HydrophobicContact CG2-CG1 3.6Å; V321-A359 HydrophobicContact CG1-CB 4.12Å
322	D	98.4	Very high	98.3	Very high	117 Å²	117	28.1 Å²	28.1	63%	0.626	17%	0.166	S	C	*	.	H	α-helix	trans	-64.8	-39.1	-176.6	-67.1	-37.4	0	0	0	111.5	N320 A326	N320-D322 PolarHBondContact O-N 3.06Å; N320-D322 PolarHBondContact OD1-N 2.89Å; N320-D322 VanDerWaalsContact OD1-N 3.11Å; D322-A326 WeakPolarHBondContact O-CB 3.43Å; D322-A326 PolarHBondContact O-N 3.46Å
323	Q	98.7	Very high	98.4	Very high	107 Å²	107	28 Å²	28	50%	0.5	17%	0.165	S	C	.	.	H	α-helix	trans	-68.8	-42.5	175.6	-65.6	-61.4	-54.2	0	0	111.7	N320 V321 V325 A326 G327 Y471	N320-Q323 HydrophobicContact CB-CB 4.04Å; N320-Q323 HydrophobicContact CB-CG 4.03Å; N320-Q323 PolarHBondContact O-N 3.19Å; N320-Q323 PolarHBondContact OD1-N 3.47Å; N320-Q323 VanDerWaalsContact OD1-N 3.1Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 3.27Å; Q323-V325 VanDerWaalsContact C-N 3.32Å; Q323-V325 PolarHBondContact O-N 3.1Å; Q323-A326 PolarHBondContact O-N 3.03Å; Q323-G327 PolarHBondContact O-N 2.73Å; Q323-Y471 VanDerWaalsContact C-CE1 3.4Å; Q323-Y471 HydrophobicContact CB-CD1 4.32Å; Q323-Y471 HydrophobicContact CB-CE1 4Å; Q323-Y471 VanDerWaalsContact O-CE1 3.24Å; Q323-Y471 WeakPolarHBondContact O-CE1 3.35Å
324	A	98.7	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-42.3	176.2	0	0	0	0	0	111.2	F313 V315 N320 V321 G327 A328 F356 Y471	F313-A324 WeakPolarHBondContact CZ-O 3.48Å; V315-A324 HydrophobicContact CG1-CB 3.98Å; V315-A324 HydrophobicContact CG2-CB 4.24Å; N320-A324 WeakPolarHBondContact O-CB 3.49Å; N320-A324 PolarHBondContact O-N 2.68Å; V321-A324 PolarHBondContact O-N 3.14Å; A324-G327 PolarHBondContact O-N 2.94Å; A324-A328 VanDerWaalsContact O-CB 3.24Å; A324-A328 WeakPolarHBondContact O-CB 3.39Å; A324-A328 PolarHBondContact O-N 3.31Å; A324-F356 HydrophobicContact CB-CD2 4.23Å; A324-F356 HydrophobicContact CB-CE2 4.04Å; A324-Y471 VanDerWaalsContact CA-CD1 3.45Å; A324-Y471 HydrophobicContact CB-CD1 3.84Å; A324-Y471 HydrophobicContact CB-CD2 4.36Å; A324-Y471 HydrophobicContact CB-CE1 4.47Å; A324-Y471 HydrophobicContact CB-CG 3.78Å
325	V	98.8	Very high	98.1	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-42.9	175.1	170.1	0	0	0	0	111.3	V321 Q323 G327 A328 M329 F356 A359 F360 A363	V321-V325 HydrophobicContact CG1-CG2 4.33Å; V321-V325 WeakPolarHBondContact O-CB 3.24Å; V321-V325 WeakPolarHBondContact O-CG2 3.15Å; V321-V325 PolarHBondContact O-N 2.6Å; Q323-V325 VanDerWaalsContact C-N 3.32Å; Q323-V325 PolarHBondContact O-N 3.1Å; V325-G327 VanDerWaalsContact C-N 3.34Å; V325-G327 PolarHBondContact O-N 2.99Å; V325-A328 PolarHBondContact O-N 2.81Å; V325-M329 HydrophobicContact CG1-CG 4.31Å; V325-M329 WeakPolarHBondContact O-CB 3.4Å; V325-M329 WeakPolarHBondContact O-CG 3.48Å; V325-M329 PolarHBondContact O-N 3.01Å; V325-F356 HydrophobicContact CG2-CD2 3.82Å; V325-F356 HydrophobicContact CG2-CE2 3.87Å; V325-A359 HydrophobicContact CG2-CB 3.89Å; V325-F360 HydrophobicContact CG1-CD2 4.33Å; V325-F360 HydrophobicContact CG2-CB 4.27Å; V325-A363 HydrophobicContact CG1-CB 3.56Å
326	A	98.6	Very high	98	Very high	52 Å²	52	30.4 Å²	30.4	43%	0.43	17%	0.174	S	C	.	.	H	α-helix	trans	-60	-44.4	175.8	0	0	0	0	0	111.9	D322 Q323 M329 A330	D322-A326 WeakPolarHBondContact O-CB 3.43Å; D322-A326 PolarHBondContact O-N 3.46Å; Q323-A326 PolarHBondContact O-N 3.03Å; A326-M329 PolarHBondContact O-N 3.07Å; A326-A330 PolarHBondContact O-N 3.34Å; A326-A330 VanDerWaalsContact O-N 3.08Å
327	G	98.4	Very high	97.9	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-41.5	173.5	0	0	0	0	0	113.6	Q323 A324 V325 A330 S331 Y471	Q323-G327 PolarHBondContact O-N 2.73Å; A324-G327 PolarHBondContact O-N 2.94Å; V325-G327 VanDerWaalsContact C-N 3.34Å; V325-G327 PolarHBondContact O-N 2.99Å; G327-A330 PolarHBondContact O-N 2.98Å; G327-S331 VanDerWaalsContact O-CB 3.28Å; G327-S331 WeakPolarHBondContact O-CB 3.44Å; G327-S331 PolarHBondContact O-N 3.47Å; G327-S331 PolarHBondContact O-OG 3.38Å; G327-Y471 VanDerWaalsContact CA-OH 3.22Å; G327-Y471 WeakPolarHBondContact CA-OH 3.28Å
328	A	98.5	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-44.1	176.7	0	0	0	0	0	111.3	F313 A324 V325 A330 S331 K332 F346 F356 F360	F313-A328 HydrophobicContact CE1-CB 4.15Å; F313-A328 HydrophobicContact CE2-CB 4.47Å; F313-A328 HydrophobicContact CZ-CB 3.98Å; A324-A328 VanDerWaalsContact O-CB 3.24Å; A324-A328 WeakPolarHBondContact O-CB 3.39Å; A324-A328 PolarHBondContact O-N 3.31Å; V325-A328 PolarHBondContact O-N 2.81Å; A328-A330 PolarHBondContact O-N 3.21Å; A328-S331 PolarHBondContact O-OG 3.38Å; A328-K332 VanDerWaalsContact O-CB 3.31Å; A328-K332 WeakPolarHBondContact O-CB 3.35Å; A328-K332 PolarHBondContact O-N 2.93Å; A328-F346 HydrophobicContact CB-CD1 4.4Å; A328-F346 HydrophobicContact CB-CE1 3.49Å; A328-F346 VanDerWaalsContact CB-CE1 3.49Å; A328-F346 HydrophobicContact CB-CZ 4.11Å; A328-F356 HydrophobicContact CB-CE2 4.39Å; A328-F356 HydrophobicContact CB-CZ 4.01Å; A328-F360 HydrophobicContact CB-CD2 4.33Å; A328-F360 HydrophobicContact CB-CE1 4.01Å; A328-F360 HydrophobicContact CB-CE2 3.77Å; A328-F360 HydrophobicContact CB-CZ 3.6Å
329	M	98.5	Very high	97.4	Very high	25 Å²	25	24.8 Å²	24.8	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-47.5	176	-73.6	-70.4	-61.6	0	0	111.8	V325 A326 F333 F360 A363 M364 N367 L368	V325-M329 HydrophobicContact CG1-CG 4.31Å; V325-M329 WeakPolarHBondContact O-CB 3.4Å; V325-M329 WeakPolarHBondContact O-CG 3.48Å; V325-M329 PolarHBondContact O-N 3.01Å; A326-M329 PolarHBondContact O-N 3.07Å; M329-F333 HydrophobicContact CE-CD2 4.4Å; M329-F333 PolarHBondContact O-N 2.76Å; M329-F333 HydrophobicContact SD-CD2 3.9Å; M329-F333 HydrophobicContact SD-CE2 3.98Å; M329-F360 HydrophobicContact CG-CD2 4.2Å; M329-F360 HydrophobicContact CG-CE2 3.96Å; M329-F360 HydrophobicContact SD-CD2 3.95Å; M329-F360 HydrophobicContact SD-CE2 3.69Å; M329-A363 HydrophobicContact CE-CB 4.49Å; M329-A363 HydrophobicContact CG-CB 3.97Å; M329-A363 HydrophobicContact SD-CB 3.91Å; M329-M364 HydrophobicContact SD-CB 4.46Å; M329-M364 HydrophobicContact SD-CG 3.73Å; M329-N367 HydrophobicContact CE-CB 3.96Å; M329-L368 HydrophobicContact CE-CD1 4.35Å; M329-L368 HydrophobicContact CE-CD2 3.7Å; M329-L368 HydrophobicContact CE-CG 3.86Å
330	A	97	Very high	96.9	Very high	30 Å²	30	24.7 Å²	24.7	25%	0.248	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-38.7	-178.2	0	0	0	0	0	113.1	A326 G327 A328 R334 L496	A326-A330 PolarHBondContact O-N 3.34Å; A326-A330 VanDerWaalsContact O-N 3.08Å; G327-A330 PolarHBondContact O-N 2.98Å; A328-A330 PolarHBondContact O-N 3.21Å; A330-R334 WeakPolarHBondContact O-CB 3.27Å; A330-L496 HydrophobicContact CB-CD1 3.99Å; A330-L496 HydrophobicContact CB-CD2 4.02Å; A330-L496 HydrophobicContact CB-CG 3.8Å
331	S	96.8	Very high	96.5	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-74.1	-42.1	-179.9	59.7	0	0	0	0	112.6	G327 A328 C342 S343	G327-S331 VanDerWaalsContact O-CB 3.28Å; G327-S331 WeakPolarHBondContact O-CB 3.44Å; G327-S331 PolarHBondContact O-N 3.47Å; G327-S331 PolarHBondContact O-OG 3.38Å; A328-S331 PolarHBondContact O-OG 3.38Å; S331-C342 WeakPolarHBondContact O-CA 3.4Å; S331-C342 PolarHBondContact O-SG 2.67Å; S331-S343 PolarHBondContact OG-OG 2.91Å
332	K	97.5	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-83.3	-45.5	-174.2	-176.2	68.6	-139.3	-172.2	0	114	A328 G337 S343 N344 F346 G441 L443 A444	A328-K332 VanDerWaalsContact O-CB 3.31Å; A328-K332 WeakPolarHBondContact O-CB 3.35Å; A328-K332 PolarHBondContact O-N 2.93Å; K332-G337 WeakPolarHBondContact O-CA 3.37Å; K332-G337 PolarHBondContact O-N 3.4Å; K332-S343 WeakPolarHBondContact CD-O 2.99Å; K332-S343 WeakPolarHBondContact CE-O 3.5Å; K332-S343 PolarHBondContact N-OG 2.97Å; K332-S343 PolarHBondContact NZ-O 3.15Å; K332-N344 PolarHBondContact NZ-OD1 3.46Å; K332-N344 VanDerWaalsContact NZ-OD1 3.14Å; K332-F346 HydrophobicContact CB-CE2 4.32Å; K332-F346 HydrophobicContact CB-CZ 3.97Å; K332-F346 HydrophobicContact CD-CE2 4.13Å; K332-F346 HydrophobicContact CG-CE2 4.32Å; K332-F346 HydrophobicContact CG-CZ 4.47Å; K332-G441 WeakPolarHBondContact CE-O 3.11Å; K332-G441 PolarHBondContact NZ-O 2.9Å; K332-L443 WeakPolarHBondContact CE-O 3.41Å; K332-L443 PolarHBondContact NZ-O 3.06Å; K332-A444 HydrophobicContact CD-CB 4.49Å; K332-A444 HydrophobicContact CG-CB 4.23Å
333	F	97.9	Very high	95.6	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-95.8	-10	-166.4	-61.9	-66.3	0	0	0	113.1	M329 N335 T336 F360 M364 L368 Q380 P422 P442 A444	M329-F333 HydrophobicContact CE-CD2 4.4Å; M329-F333 PolarHBondContact O-N 2.76Å; M329-F333 HydrophobicContact SD-CD2 3.9Å; M329-F333 HydrophobicContact SD-CE2 3.98Å; F333-N335 PolarHBondContact O-N 3.02Å; F333-T336 WeakPolarHBondContact O-CA 3.22Å; F333-T336 PolarHBondContact O-N 2.86Å; F333-F360 HydrophobicContact CD2-CE2 4.38Å; F333-F360 AromaticContact CE2-CE2 3.58Å; F333-F360 HydrophobicContact CE2-CE2 3.58Å; F333-F360 AromaticContact CE2-CZ 3.69Å; F333-F360 HydrophobicContact CE2-CZ 3.69Å; F333-F360 HydrophobicContact CZ-CE2 4.48Å; F333-F360 HydrophobicContact CZ-CZ 4.3Å; F333-M364 HydrophobicContact CD2-CG 4.48Å; F333-M364 HydrophobicContact CE1-CE 4.04Å; F333-M364 HydrophobicContact CE2-CE 4.21Å; F333-M364 HydrophobicContact CE2-CG 3.59Å; F333-M364 HydrophobicContact CE2-SD 3.86Å; F333-M364 HydrophobicContact CZ-CE 3.46Å; F333-M364 VanDerWaalsContact CZ-CE 3.46Å; F333-M364 HydrophobicContact CZ-CG 3.86Å; F333-M364 HydrophobicContact CZ-SD 3.6Å; F333-L368 HydrophobicContact CB-CD1 4.33Å; F333-L368 HydrophobicContact CB-CD2 3.93Å; F333-L368 HydrophobicContact CD1-CD1 3.81Å; F333-L368 HydrophobicContact CD2-CD1 3.79Å; F333-L368 HydrophobicContact CD2-CD2 4.41Å; F333-L368 HydrophobicContact CE1-CD1 4.05Å; F333-L368 HydrophobicContact CE2-CD1 4.01Å; F333-L368 HydrophobicContact CG-CD1 3.7Å; F333-L368 HydrophobicContact CG-CD2 4.17Å; F333-L368 HydrophobicContact CZ-CD1 4.16Å; F333-Q380 PolarHBondContact O-NE2 3.3Å; F333-P422 HydrophobicContact CD1-CB 4.29Å; F333-P422 HydrophobicContact CE1-CB 3.94Å; F333-P442 HydrophobicContact CD1-CB 4.05Å; F333-P442 HydrophobicContact CE1-CB 4.25Å; F333-A444 HydrophobicContact CZ-CB 4.42Å
334	R	95.2	Very high	95.1	Very high	49 Å²	49	9.1 Å²	9.1	19%	0.185	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-56.2	133.8	169.8	-177.2	-179.6	69.6	166.5	1.9	110.4	A330 T336 G337 S498	A330-R334 WeakPolarHBondContact O-CB 3.27Å; R334-T336 PolarHBondContact O-N 3.41Å; R334-G337 PolarHBondContact O-N 2.9Å; R334-G337 VanDerWaalsContact O-N 3.07Å; R334-S498 PolarHBondContact NH1-OG 3.41Å
335	N	96.7	Very high	94.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	56.9	29.2	-173.9	-156.6	33	0	0	0	113	K148 E152 N205 F333 G337 Q338 T339	K148-N335 VanDerWaalsContact CB-OD1 3.25Å; K148-N335 WeakPolarHBondContact CB-OD1 3.39Å; K148-N335 VanDerWaalsContact CE-OD1 3.28Å; K148-N335 WeakPolarHBondContact CE-OD1 3.34Å; E152-N335 PolarHBondContact OE1-N 2.79Å; E152-N335 WeakPolarHBondContact OE2-CA 3.49Å; E152-N335 PolarHBondContact OE2-N 3.09Å; N205-N335 PolarHBondContact O-ND2 3.16Å; N205-N335 VanDerWaalsContact O-ND2 3.15Å; F333-N335 PolarHBondContact O-N 3.02Å; N335-G337 PolarHBondContact O-N 3.29Å; N335-Q338 PolarHBondContact ND2-O 2.88Å; N335-Q338 WeakPolarHBondContact O-CB 3.5Å; N335-Q338 WeakPolarHBondContact O-CG 3.48Å; N335-Q338 PolarHBondContact O-N 3.48Å; N335-Q338 PolarHBondContact O-NE2 3.11Å; N335-Q338 VanDerWaalsContact O-NE2 3.1Å; N335-T339 HydrophobicContact CB-CG2 3.59Å
336	T	97	Very high	94.6	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.012	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	56	35.5	-173.7	-48.2	0	0	0	0	111.9	F333 R334 Q338 G381 L383 G441 P442	F333-T336 WeakPolarHBondContact O-CA 3.22Å; F333-T336 PolarHBondContact O-N 2.86Å; R334-T336 PolarHBondContact O-N 3.41Å; T336-Q338 VanDerWaalsContact C-N 3.26Å; T336-Q338 PolarHBondContact O-N 2.89Å; T336-G381 WeakPolarHBondContact CG2-O 3.44Å; T336-G381 PolarHBondContact OG1-N 2.79Å; T336-G381 PolarHBondContact OG1-O 3.33Å; T336-L383 HydrophobicContact CG2-CD2 4.11Å; T336-G441 CarbonylContact O-C 3.6Å; T336-G441 WeakPolarHBondContact O-CA 3.45Å; T336-P442 HydrophobicContact CG2-CB 3.86Å; T336-P442 HydrophobicContact CG2-CG 3.72Å; T336-P442 WeakPolarHBondContact O-CD 3.3Å
337	G	95.6	Very high	94.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	74.8	11.6	-177.3	0	0	0	0	0	115.2	K332 R334 N335 T339 C342 F440 G441	K332-G337 WeakPolarHBondContact O-CA 3.37Å; K332-G337 PolarHBondContact O-N 3.4Å; R334-G337 PolarHBondContact O-N 2.9Å; R334-G337 VanDerWaalsContact O-N 3.07Å; N335-G337 PolarHBondContact O-N 3.29Å; G337-T339 VanDerWaalsContact C-N 3.32Å; G337-T339 PolarHBondContact O-N 2.77Å; G337-C342 VanDerWaalsContact C-SG 3.56Å; G337-C342 VanDerWaalsContact CA-SG 3.59Å; G337-F440 WeakPolarHBondContact O-CA 3.11Å; G337-G441 PolarHBondContact O-N 3.31Å
338	Q	96.5	Very high	94.6	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.037	C	C	.	.			trans	-93.4	48.8	-175.4	-60.5	172	111	0	0	112.2	W204 N205 N335 T336 P382 L383 F440	W204-Q338 HydrophobicContact CH2-CB 3.51Å; W204-Q338 VanDerWaalsContact CH2-CD 3.48Å; W204-Q338 HydrophobicContact CH2-CG 3.76Å; W204-Q338 HydrophobicContact CZ3-CB 3.82Å; W204-Q338 HydrophobicContact CZ3-CG 4.29Å; N205-Q338 WeakPolarHBondContact CB-O 3.41Å; N335-Q338 PolarHBondContact ND2-O 2.88Å; N335-Q338 WeakPolarHBondContact O-CB 3.5Å; N335-Q338 WeakPolarHBondContact O-CG 3.48Å; N335-Q338 PolarHBondContact O-N 3.48Å; N335-Q338 PolarHBondContact O-NE2 3.11Å; N335-Q338 VanDerWaalsContact O-NE2 3.1Å; T336-Q338 VanDerWaalsContact C-N 3.26Å; T336-Q338 PolarHBondContact O-N 2.89Å; Q338-P382 PolarHBondContact NE2-O 2.88Å; Q338-L383 VanDerWaalsContact CD-CD2 3.42Å; Q338-L383 HydrophobicContact CG-CD2 3.75Å; Q338-L383 VanDerWaalsContact OE1-CA 3.27Å; Q338-F440 VanDerWaalsContact C-CD1 3.46Å; Q338-F440 HydrophobicContact CB-CD1 4.5Å; Q338-F440 HydrophobicContact CG-CB 4.46Å
339	T	90.8	Very high	94.6	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.043	C	C	.	.	S	Bend	trans	-131.8	146.6	175.9	88.3	0	0	0	0	112	F206 N335 G337 V341 C342 F440	F206-T339 HydrophobicContact CE2-CG2 3.51Å; F206-T339 HydrophobicContact CZ-CG2 3.54Å; N335-T339 HydrophobicContact CB-CG2 3.59Å; G337-T339 VanDerWaalsContact C-N 3.32Å; G337-T339 PolarHBondContact O-N 2.77Å; T339-V341 PolarHBondContact O-N 3.04Å; T339-V341 VanDerWaalsContact O-N 3.14Å; T339-C342 WeakPolarHBondContact O-CB 3.5Å; T339-C342 PolarHBondContact O-N 3.28Å; T339-C342 PolarHBondContact OG1-N 2.86Å; T339-C342 VanDerWaalsContact OG1-N 3.13Å; T339-C342 PolarHBondContact OG1-SG 2.84Å; T339-F440 WeakPolarHBondContact O-CE1 3.28Å
340	C	88	Confident	94.7	Very high	7 Å²	7	14.1 Å²	14.1	5%	0.047	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.7	-177.4	50.2	0	0	0	0	112.4	E306 L466	E306-C340 PolarHBondContact OE1-SG 3.43Å; C340-L466 HydrophobicContact CB-CD2 3.62Å
341	V	89.9	Confident	94.7	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.024	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	8.4	177.4	-61.6	0	0	0	0	113.1	T339 S343 L466 A467 Y469 M489 F504	T339-V341 PolarHBondContact O-N 3.04Å; T339-V341 VanDerWaalsContact O-N 3.14Å; V341-S343 PolarHBondContact O-N 3.09Å; V341-L466 HydrophobicContact CG1-CD2 4.23Å; V341-L466 HydrophobicContact CG1-CG 4.37Å; V341-A467 HydrophobicContact CB-CB 3.93Å; V341-A467 HydrophobicContact CG1-CB 3.75Å; V341-Y469 WeakPolarHBondContact O-CE2 3.28Å; V341-Y469 PolarHBondContact O-OH 3.21Å; V341-Y469 VanDerWaalsContact O-OH 3.06Å; V341-M489 HydrophobicContact CG1-CE 4.01Å; V341-F504 HydrophobicContact CG1-CE1 4.18Å; V341-F504 HydrophobicContact CG1-CE2 4.1Å; V341-F504 HydrophobicContact CG1-CZ 3.38Å
342	C	88.6	Confident	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-64.6	133.7	172.7	-80.3	0	0	0	0	109.8	S331 G337 T339 N344	S331-C342 WeakPolarHBondContact O-CA 3.4Å; S331-C342 PolarHBondContact O-SG 2.67Å; G337-C342 VanDerWaalsContact C-SG 3.56Å; G337-C342 VanDerWaalsContact CA-SG 3.59Å; T339-C342 WeakPolarHBondContact O-CB 3.5Å; T339-C342 PolarHBondContact O-N 3.28Å; T339-C342 PolarHBondContact OG1-N 2.86Å; T339-C342 VanDerWaalsContact OG1-N 3.13Å; T339-C342 PolarHBondContact OG1-SG 2.84Å; C342-N344 PolarHBondContact O-N 3.39Å; C342-N344 VanDerWaalsContact O-N 3.12Å
343	S	90.4	Very high	94.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	114.4	174.1	38.7	0	0	0	0	109.6	A311 S331 K332 V341 F346	A311-S343 WeakPolarHBondContact O-CA 3.39Å; S331-S343 PolarHBondContact OG-OG 2.91Å; K332-S343 WeakPolarHBondContact CD-O 2.99Å; K332-S343 WeakPolarHBondContact CE-O 3.5Å; K332-S343 PolarHBondContact N-OG 2.97Å; K332-S343 PolarHBondContact NZ-O 3.15Å; V341-S343 PolarHBondContact O-N 3.09Å; S343-F346 VanDerWaalsContact OG-CZ 3.28Å; S343-F346 WeakPolarHBondContact OG-CZ 3.44Å
344	N	87.8	Confident	94.9	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-25.1	-176.7	-79.9	-35	0	0	0	112.1	G309 L310 A311 K332 C342 T439 P445	G309-N344 PolarHBondContact O-ND2 2.71Å; L310-N344 HydrophobicContact CD2-CB 3.88Å; A311-N344 PolarHBondContact O-N 2.77Å; K332-N344 PolarHBondContact NZ-OD1 3.46Å; K332-N344 VanDerWaalsContact NZ-OD1 3.14Å; C342-N344 PolarHBondContact O-N 3.39Å; C342-N344 VanDerWaalsContact O-N 3.12Å; N344-T439 PolarHBondContact OD1-O 2.97Å; N344-T439 VanDerWaalsContact OD1-O 3.04Å; N344-P445 WeakPolarHBondContact O-CD 3.26Å; N344-P445 WeakPolarHBondContact O-CG 2.99Å
345	Q	89.5	Confident	95.1	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.075	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	119.9	-179.9	-64	176	42.7	0	0	109.1	F313 T435	F313-Q345 PolarHBondContact N-O 3.32Å; Q345-T435 HydrophobicContact CG-CG2 4.34Å; Q345-T435 PolarHBondContact NE2-O 3.18Å
346	F	97.9	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114	173.2	-69.3	-91.6	0	0	0	108.2	F313 A328 K332 S343 V348 F356 F360 A444 P445 V446 I447	F313-F346 HydrophobicContact CB-CD1 3.73Å; F313-F346 HydrophobicContact CB-CE1 3.83Å; F313-F346 HydrophobicContact CB-CG 4.39Å; F313-F346 AromaticContact CD1-CD1 3.51Å; F313-F346 HydrophobicContact CD1-CD1 3.51Å; F313-F346 AromaticContact CD1-CE1 3.63Å; F313-F346 HydrophobicContact CD1-CE1 3.63Å; F313-F346 HydrophobicContact CD2-CE1 4.1Å; F313-F346 HydrophobicContact CE1-CD1 4.28Å; F313-F346 HydrophobicContact CE1-CE1 4.17Å; F313-F346 AromaticContact CG-CD1 3.74Å; F313-F346 HydrophobicContact CG-CD1 3.74Å; F313-F346 AromaticContact CG-CE1 3.58Å; F313-F346 HydrophobicContact CG-CE1 3.58Å; F313-F346 CarbonylContact O-C 3.6Å; F313-F346 WeakPolarHBondContact O-CA 3.31Å; A328-F346 HydrophobicContact CB-CD1 4.4Å; A328-F346 HydrophobicContact CB-CE1 3.49Å; A328-F346 VanDerWaalsContact CB-CE1 3.49Å; A328-F346 HydrophobicContact CB-CZ 4.11Å; K332-F346 HydrophobicContact CB-CE2 4.32Å; K332-F346 HydrophobicContact CB-CZ 3.97Å; K332-F346 HydrophobicContact CD-CE2 4.13Å; K332-F346 HydrophobicContact CG-CE2 4.32Å; K332-F346 HydrophobicContact CG-CZ 4.47Å; S343-F346 VanDerWaalsContact OG-CZ 3.28Å; S343-F346 WeakPolarHBondContact OG-CZ 3.44Å; F346-V348 HydrophobicContact CB-CG2 4.3Å; F346-F356 HydrophobicContact CD1-CE1 4.38Å; F346-F356 HydrophobicContact CD1-CZ 4.12Å; F346-F360 HydrophobicContact CD1-CE1 4.33Å; F346-F360 HydrophobicContact CD2-CE1 4.47Å; F346-F360 AromaticContact CE1-CE1 3.98Å; F346-F360 HydrophobicContact CE1-CE1 3.98Å; F346-F360 HydrophobicContact CE1-CZ 4.25Å; F346-F360 HydrophobicContact CE2-CE1 4.11Å; F346-F360 HydrophobicContact CE2-CZ 4.42Å; F346-F360 AromaticContact CZ-CE1 3.85Å; F346-F360 HydrophobicContact CZ-CE1 3.85Å; F346-F360 AromaticContact CZ-CZ 3.9Å; F346-F360 HydrophobicContact CZ-CZ 3.9Å; F346-A444 HydrophobicContact CD2-CB 3.96Å; F346-A444 HydrophobicContact CE2-CB 3.61Å; F346-P445 PolarHBondContact N-O 3.22Å; F346-V446 HydrophobicContact CB-CB 4.44Å; F346-V446 HydrophobicContact CB-CG1 4.48Å; F346-V446 HydrophobicContact CB-CG2 4.02Å; F346-V446 CarbonylContact O-C 3.6Å; F346-V446 WeakPolarHBondContact O-CA 3.45Å; F346-I447 PolarHBondContact O-N 3.16Å
347	L	98.4	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.5	171.4	-55.6	-174.8	0	0	0	106.5	F313 I314 V315 I447 F449 A455 I458 A459	F313-L347 PolarHBondContact O-N 3.2Å; I314-L347 CarbonylContact C-O 3.43Å; I314-L347 VanDerWaalsContact CA-O 3.28Å; I314-L347 WeakPolarHBondContact CA-O 3.35Å; I314-L347 HydrophobicContact CD1-CD1 4.42Å; I314-L347 HydrophobicContact CG1-CB 4.28Å; I314-L347 HydrophobicContact CG1-CD1 4.18Å; I314-L347 HydrophobicContact CG2-CB 4.29Å; V315-L347 PolarHBondContact N-O 3.47Å; L347-I447 WeakPolarHBondContact CA-O 3.31Å; L347-I447 HydrophobicContact CD2-CB 3.79Å; L347-I447 HydrophobicContact CD2-CD1 3.92Å; L347-I447 HydrophobicContact CD2-CG1 4.3Å; L347-I447 HydrophobicContact CD2-CG2 4.24Å; L347-F449 VanDerWaalsContact C-CE1 3.42Å; L347-F449 HydrophobicContact CB-CD1 3.77Å; L347-F449 HydrophobicContact CB-CE1 3.91Å; L347-F449 WeakPolarHBondContact O-CE1 3.4Å; L347-A455 VanDerWaalsContact CD1-O 3.31Å; L347-A455 WeakPolarHBondContact CD1-O 3.5Å; L347-I458 HydrophobicContact CD1-CB 4.09Å; L347-I458 HydrophobicContact CD1-CG2 4.02Å; L347-I458 HydrophobicContact CD2-CB 4.49Å; L347-I458 HydrophobicContact CD2-CG2 3.74Å; L347-A459 HydrophobicContact CD1-CB 4.05Å
348	V	98.8	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126	-175.3	-173	0	0	0	0	110.2	V315 F346 I352 H353 F356 V446 I447 K448 F449	V315-V348 HydrophobicContact CB-CG1 4.13Å; V315-V348 HydrophobicContact CB-CG2 4.25Å; V315-V348 HydrophobicContact CG1-CG1 4.48Å; V315-V348 HydrophobicContact CG2-CG2 4.3Å; F346-V348 HydrophobicContact CB-CG2 4.3Å; V348-I352 HydrophobicContact CG1-CG2 3.91Å; V348-H353 HydrophobicContact CG1-CB 4.21Å; V348-F356 HydrophobicContact CB-CD1 4.48Å; V348-F356 HydrophobicContact CG1-CB 4.01Å; V348-F356 HydrophobicContact CG1-CD1 4.06Å; V348-F356 HydrophobicContact CG1-CG 4.14Å; V348-F356 HydrophobicContact CG2-CD1 3.66Å; V348-F356 HydrophobicContact CG2-CE1 3.76Å; V348-F356 HydrophobicContact CG2-CG 4.39Å; V348-V446 HydrophobicContact CB-CG1 4.16Å; V348-V446 HydrophobicContact CG2-CG1 3.72Å; V348-I447 PolarHBondContact N-O 3.45Å; V348-K448 WeakPolarHBondContact O-CA 3.46Å; V348-F449 VanDerWaalsContact C-CE1 3.42Å; V348-F449 PolarHBondContact O-N 3.28Å
349	Q	98.8	Very high	95.5	Very high	27 Å²	27	29.6 Å²	29.6	13%	0.126	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	145	-174.8	-161.2	165.9	14.4	0	0	111.5	V315 D317 G351 I352 H353 F449 D450	V315-Q349 PolarHBondContact O-N 2.68Å; D317-Q349 WeakPolarHBondContact OD1-CB 3.25Å; D317-Q349 VanDerWaalsContact OD2-CD 3.25Å; D317-Q349 WeakPolarHBondContact OD2-CG 3.36Å; D317-Q349 PolarHBondContact OD2-OE1 3.08Å; Q349-G351 VanDerWaalsContact C-N 3.28Å; Q349-G351 PolarHBondContact O-N 3.17Å; Q349-G351 VanDerWaalsContact O-N 3.16Å; Q349-I352 HydrophobicContact CB-CG2 4.4Å; Q349-I352 PolarHBondContact O-N 3.29Å; Q349-H353 WeakPolarHBondContact O-CB 3.34Å; Q349-H353 PolarHBondContact O-N 3.11Å; Q349-F449 CarbonylContact C-O 3.56Å; Q349-F449 WeakPolarHBondContact CA-O 3.47Å; Q349-F449 HydrophobicContact CB-CD2 4.27Å; Q349-F449 HydrophobicContact CB-CE1 4.04Å; Q349-F449 HydrophobicContact CB-CE2 3.58Å; Q349-F449 HydrophobicContact CB-CZ 3.46Å; Q349-F449 VanDerWaalsContact CB-CZ 3.46Å; Q349-F449 HydrophobicContact CG-CD2 4.06Å; Q349-F449 HydrophobicContact CG-CE2 3.52Å; Q349-F449 HydrophobicContact CG-CZ 3.98Å; Q349-F449 VanDerWaalsContact N-CE1 3.26Å; Q349-D450 PolarHBondContact NE2-O 3.42Å
350	R	98.6	Very high	95.9	Very high	151 Å²	151	29.6 Å²	29.6	57%	0.57	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-41.4	-173.9	178.1	-180	-73.9	143.4	0.8	114.1	I352 K448 F449 D450	R350-I352 PolarHBondContact O-N 3.25Å; R350-K448 HydrophobicContact CB-CD 4.48Å; R350-K448 HydrophobicContact CB-CG 4.47Å; R350-F449 PolarHBondContact N-O 2.96Å; R350-D450 IonicContact CZ-OD1 3.07Å; R350-D450 IonicContact CZ-OD2 3.38Å; R350-D450 IonicContact NE-OD1 2.75Å; R350-D450 PolarHBondContact NE-OD1 3.01Å; R350-D450 IonicContact NH1-OD1 3.04Å; R350-D450 PolarHBondContact NH1-OD1 3.31Å; R350-D450 VanDerWaalsContact NH1-OD1 3.08Å; R350-D450 IonicContact NH1-OD2 3.64Å; R350-D450 PolarHBondContact NH1-OD2 2.98Å; R350-D450 IonicContact NH2-OD1 3.96Å; R350-D450 PolarHBondContact NH2-OD1 3.33Å; R350-D450 IonicContact NH2-OD2 2.71Å; R350-D450 PolarHBondContact NH2-OD2 3.44Å
351	G	98.6	Very high	96.4	Very high	64 Å²	64	30.1 Å²	30.1	66%	0.66	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.8	-174.6	0	0	0	0	0	113.8	D317 Q349	D317-G351 VanDerWaalsContact OD1-C 3.29Å; D317-G351 WeakPolarHBondContact OD1-CA 3.27Å; D317-G351 PolarHBondContact OD1-N 2.8Å; Q349-G351 VanDerWaalsContact C-N 3.28Å; Q349-G351 PolarHBondContact O-N 3.17Å; Q349-G351 VanDerWaalsContact O-N 3.16Å
352	I	98.7	Very high	96.8	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.067	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-10.6	-178.8	-161.3	164.7	0	0	0	113.9	V315 D317 A319 V321 V348 Q349 R350 D354 A355 F356	V315-I352 HydrophobicContact CG1-CD1 4.4Å; V315-I352 HydrophobicContact CG1-CG2 4.17Å; D317-I352 PolarHBondContact OD1-N 3.14Å; A319-I352 HydrophobicContact CB-CD1 4.17Å; A319-I352 WeakPolarHBondContact O-CD1 3.38Å; V321-I352 HydrophobicContact CG2-CD1 3.39Å; V321-I352 HydrophobicContact CG2-CG1 3.6Å; V348-I352 HydrophobicContact CG1-CG2 3.91Å; Q349-I352 HydrophobicContact CB-CG2 4.4Å; Q349-I352 PolarHBondContact O-N 3.29Å; R350-I352 PolarHBondContact O-N 3.25Å; I352-D354 PolarHBondContact O-N 3.29Å; I352-A355 PolarHBondContact O-N 3.06Å; I352-F356 PolarHBondContact O-N 2.96Å
353	H	98.7	Very high	97.3	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-48.4	-57.2	-171.1	177.8	-82.9	0	0	0	114.6	V348 Q349 A355 F356 V357 K448	V348-H353 HydrophobicContact CG1-CB 4.21Å; Q349-H353 WeakPolarHBondContact O-CB 3.34Å; Q349-H353 PolarHBondContact O-N 3.11Å; H353-A355 VanDerWaalsContact C-N 3.33Å; H353-A355 PolarHBondContact O-N 3.34Å; H353-F356 PolarHBondContact O-N 2.84Å; H353-V357 WeakPolarHBondContact O-CG2 3.36Å; H353-V357 PolarHBondContact O-N 3.44Å; H353-K448 WeakPolarHBondContact CD2-CE 3.42Å; H353-K448 VanDerWaalsContact CE1-CE 3.49Å; H353-K448 WeakPolarHBondContact CE1-CE 3.45Å; H353-K448 WeakPolarHBondContact ND1-CE 3.25Å; H353-K448 WeakPolarHBondContact NE2-CE 3.35Å
354	D	98.3	Very high	97.7	Very high	116 Å²	116	35.9 Å²	35.9	62%	0.62	20%	0.2	S	C	*	.	H	α-helix	trans	-69.4	-35.4	-172.3	-66.2	-6.1	0	0	0	111.6	I352 K358	I352-D354 PolarHBondContact O-N 3.29Å; D354-K358 VanDerWaalsContact O-CB 3.3Å; D354-K358 WeakPolarHBondContact O-CB 3.45Å; D354-K358 PolarHBondContact O-N 2.87Å; D354-K358 VanDerWaalsContact O-N 3.12Å
355	A	98.6	Very high	98.2	Very high	56 Å²	56	43.9 Å²	43.9	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-46	174.3	0	0	0	0	0	111.3	I352 H353 A359	I352-A355 PolarHBondContact O-N 3.06Å; H353-A355 VanDerWaalsContact C-N 3.33Å; H353-A355 PolarHBondContact O-N 3.34Å; A355-A359 VanDerWaalsContact O-CB 3.3Å; A355-A359 WeakPolarHBondContact O-CB 3.26Å; A355-A359 PolarHBondContact O-N 3.32Å
356	F	98.8	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-51.3	177.4	176.4	-93.3	0	0	0	112	V315 A324 V325 A328 F346 V348 I352 H353 K358 A359 F360	V315-F356 HydrophobicContact CG1-CD2 4.18Å; V315-F356 HydrophobicContact CG2-CD2 4.23Å; V315-F356 HydrophobicContact CG2-CE2 3.88Å; V315-F356 HydrophobicContact CG2-CZ 4.14Å; A324-F356 HydrophobicContact CB-CD2 4.23Å; A324-F356 HydrophobicContact CB-CE2 4.04Å; V325-F356 HydrophobicContact CG2-CD2 3.82Å; V325-F356 HydrophobicContact CG2-CE2 3.87Å; A328-F356 HydrophobicContact CB-CE2 4.39Å; A328-F356 HydrophobicContact CB-CZ 4.01Å; F346-F356 HydrophobicContact CD1-CE1 4.38Å; F346-F356 HydrophobicContact CD1-CZ 4.12Å; V348-F356 HydrophobicContact CB-CD1 4.48Å; V348-F356 HydrophobicContact CG1-CB 4.01Å; V348-F356 HydrophobicContact CG1-CD1 4.06Å; V348-F356 HydrophobicContact CG1-CG 4.14Å; V348-F356 HydrophobicContact CG2-CD1 3.66Å; V348-F356 HydrophobicContact CG2-CE1 3.76Å; V348-F356 HydrophobicContact CG2-CG 4.39Å; I352-F356 PolarHBondContact O-N 2.96Å; H353-F356 PolarHBondContact O-N 2.84Å; F356-K358 VanDerWaalsContact C-N 3.32Å; F356-K358 PolarHBondContact O-N 3.24Å; F356-A359 PolarHBondContact O-N 3.38Å; F356-F360 HydrophobicContact CE1-CB 4.41Å; F356-F360 AromaticContact CE1-CD1 3.75Å; F356-F360 HydrophobicContact CE1-CD1 3.75Å; F356-F360 HydrophobicContact CE1-CE1 4.42Å; F356-F360 HydrophobicContact CE1-CG 4.42Å; F356-F360 AromaticContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CE1 4.34Å; F356-F360 HydrophobicContact CZ-CG 4.36Å; F356-F360 VanDerWaalsContact O-CB 3.25Å; F356-F360 WeakPolarHBondContact O-CB 3.32Å; F356-F360 PolarHBondContact O-N 2.86Å
357	V	98.7	Very high	98.6	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-43.1	-177.7	171.5	0	0	0	0	111.2	H353 F360 A361 V407 L424 C426 V446	H353-V357 WeakPolarHBondContact O-CG2 3.36Å; H353-V357 PolarHBondContact O-N 3.44Å; V357-F360 PolarHBondContact O-N 3.12Å; V357-A361 PolarHBondContact O-N 2.8Å; V357-V407 HydrophobicContact CG1-CG1 4.42Å; V357-V407 HydrophobicContact CG1-CG2 4.03Å; V357-L424 HydrophobicContact CG1-CD2 4.32Å; V357-C426 HydrophobicContact CG1-CB 4.28Å; V357-V446 HydrophobicContact CG2-CB 4.49Å; V357-V446 HydrophobicContact CG2-CG1 4Å; V357-V446 HydrophobicContact CG2-CG2 4.4Å
358	K	98.7	Very high	98.6	Very high	128 Å²	128	55.3 Å²	55.3	56%	0.557	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-52.6	176.5	-179.9	179.4	176.3	-65.6	0	111.5	D354 F356 F360 A361 E362	D354-K358 VanDerWaalsContact O-CB 3.3Å; D354-K358 WeakPolarHBondContact O-CB 3.45Å; D354-K358 PolarHBondContact O-N 2.87Å; D354-K358 VanDerWaalsContact O-N 3.12Å; F356-K358 VanDerWaalsContact C-N 3.32Å; F356-K358 PolarHBondContact O-N 3.24Å; K358-F360 VanDerWaalsContact C-N 3.27Å; K358-F360 PolarHBondContact O-N 3.48Å; K358-A361 PolarHBondContact O-N 3.48Å; K358-E362 WeakPolarHBondContact CE-OE1 3.13Å; K358-E362 IonicContact NZ-OE1 3.39Å; K358-E362 PolarHBondContact NZ-OE1 2.99Å; K358-E362 IonicContact NZ-OE2 2.77Å; K358-E362 WeakPolarHBondContact O-CG 3.22Å; K358-E362 PolarHBondContact O-N 2.94Å
359	A	98.7	Very high	98.6	Very high	19 Å²	19	62 Å²	62	16%	0.157	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-35.9	-179.2	0	0	0	0	0	111.9	V321 V325 A355 F356 E362 A363	V321-A359 HydrophobicContact CG1-CB 4.12Å; V325-A359 HydrophobicContact CG2-CB 3.89Å; A355-A359 VanDerWaalsContact O-CB 3.3Å; A355-A359 WeakPolarHBondContact O-CB 3.26Å; A355-A359 PolarHBondContact O-N 3.32Å; F356-A359 PolarHBondContact O-N 3.38Å; A359-E362 PolarHBondContact O-N 2.96Å; A359-A363 WeakPolarHBondContact O-CB 3.46Å; A359-A363 PolarHBondContact O-N 3.37Å
360	F	98.7	Very high	98.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-46.3	177.5	-165.5	-169.3	0	0	0	111.7	V325 A328 M329 F333 F346 F356 V357 K358 E362 A363 M364 L424 A444	V325-F360 HydrophobicContact CG1-CD2 4.33Å; V325-F360 HydrophobicContact CG2-CB 4.27Å; A328-F360 HydrophobicContact CB-CD2 4.33Å; A328-F360 HydrophobicContact CB-CE1 4.01Å; A328-F360 HydrophobicContact CB-CE2 3.77Å; A328-F360 HydrophobicContact CB-CZ 3.6Å; M329-F360 HydrophobicContact CG-CD2 4.2Å; M329-F360 HydrophobicContact CG-CE2 3.96Å; M329-F360 HydrophobicContact SD-CD2 3.95Å; M329-F360 HydrophobicContact SD-CE2 3.69Å; F333-F360 HydrophobicContact CD2-CE2 4.38Å; F333-F360 AromaticContact CE2-CE2 3.58Å; F333-F360 HydrophobicContact CE2-CE2 3.58Å; F333-F360 AromaticContact CE2-CZ 3.69Å; F333-F360 HydrophobicContact CE2-CZ 3.69Å; F333-F360 HydrophobicContact CZ-CE2 4.48Å; F333-F360 HydrophobicContact CZ-CZ 4.3Å; F346-F360 HydrophobicContact CD1-CE1 4.33Å; F346-F360 HydrophobicContact CD2-CE1 4.47Å; F346-F360 AromaticContact CE1-CE1 3.98Å; F346-F360 HydrophobicContact CE1-CE1 3.98Å; F346-F360 HydrophobicContact CE1-CZ 4.25Å; F346-F360 HydrophobicContact CE2-CE1 4.11Å; F346-F360 HydrophobicContact CE2-CZ 4.42Å; F346-F360 AromaticContact CZ-CE1 3.85Å; F346-F360 HydrophobicContact CZ-CE1 3.85Å; F346-F360 AromaticContact CZ-CZ 3.9Å; F346-F360 HydrophobicContact CZ-CZ 3.9Å; F356-F360 HydrophobicContact CE1-CB 4.41Å; F356-F360 AromaticContact CE1-CD1 3.75Å; F356-F360 HydrophobicContact CE1-CD1 3.75Å; F356-F360 HydrophobicContact CE1-CE1 4.42Å; F356-F360 HydrophobicContact CE1-CG 4.42Å; F356-F360 AromaticContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CD1 3.87Å; F356-F360 HydrophobicContact CZ-CE1 4.34Å; F356-F360 HydrophobicContact CZ-CG 4.36Å; F356-F360 VanDerWaalsContact O-CB 3.25Å; F356-F360 WeakPolarHBondContact O-CB 3.32Å; F356-F360 PolarHBondContact O-N 2.86Å; V357-F360 PolarHBondContact O-N 3.12Å; K358-F360 VanDerWaalsContact C-N 3.27Å; K358-F360 PolarHBondContact O-N 3.48Å; F360-E362 VanDerWaalsContact C-N 3.32Å; F360-E362 PolarHBondContact O-N 3.28Å; F360-A363 PolarHBondContact O-N 2.98Å; F360-M364 HydrophobicContact CD2-CG 4.14Å; F360-M364 HydrophobicContact CD2-SD 4.3Å; F360-M364 HydrophobicContact CE2-CG 4.21Å; F360-M364 HydrophobicContact CE2-SD 4.36Å; F360-M364 VanDerWaalsContact O-CG 3.28Å; F360-M364 WeakPolarHBondContact O-CG 3.42Å; F360-M364 PolarHBondContact O-N 2.95Å; F360-L424 HydrophobicContact CB-CD2 4.36Å; F360-L424 HydrophobicContact CD1-CD1 3.66Å; F360-L424 HydrophobicContact CD1-CD2 4.33Å; F360-L424 HydrophobicContact CE1-CD1 3.87Å; F360-L424 HydrophobicContact CG-CD2 4.47Å; F360-A444 HydrophobicContact CE1-CB 4.01Å; F360-A444 HydrophobicContact CZ-CB 4.34Å
361	A	98.7	Very high	98.6	Very high	18 Å²	18	55.1 Å²	55.1	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-40.6	175.1	0	0	0	0	0	112.5	V357 K358 M364 K365 V407 L424	V357-A361 PolarHBondContact O-N 2.8Å; K358-A361 PolarHBondContact O-N 3.48Å; A361-M364 PolarHBondContact O-N 3.5Å; A361-K365 PolarHBondContact O-N 3.48Å; A361-V407 HydrophobicContact CB-CG1 3.8Å; A361-L424 HydrophobicContact CB-CD2 3.91Å
362	E	98.7	Very high	98.6	Very high	103 Å²	103	52.8 Å²	52.8	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-44.1	176.3	-73.2	174	174.6	0	0	111.8	K358 A359 F360 K365 K366	K358-E362 WeakPolarHBondContact CE-OE1 3.13Å; K358-E362 IonicContact NZ-OE1 3.39Å; K358-E362 PolarHBondContact NZ-OE1 2.99Å; K358-E362 IonicContact NZ-OE2 2.77Å; K358-E362 WeakPolarHBondContact O-CG 3.22Å; K358-E362 PolarHBondContact O-N 2.94Å; A359-E362 PolarHBondContact O-N 2.96Å; F360-E362 VanDerWaalsContact C-N 3.32Å; F360-E362 PolarHBondContact O-N 3.28Å; E362-K365 PolarHBondContact O-N 3.08Å; E362-K366 WeakPolarHBondContact O-CB 3.38Å; E362-K366 PolarHBondContact O-N 2.85Å
363	A	98.7	Very high	98.5	Very high	16 Å²	16	52.3 Å²	52.3	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-39.9	175.7	0	0	0	0	0	112.2	V325 M329 A359 F360 K366 N367	V325-A363 HydrophobicContact CG1-CB 3.56Å; M329-A363 HydrophobicContact CE-CB 4.49Å; M329-A363 HydrophobicContact CG-CB 3.97Å; M329-A363 HydrophobicContact SD-CB 3.91Å; A359-A363 WeakPolarHBondContact O-CB 3.46Å; A359-A363 PolarHBondContact O-N 3.37Å; F360-A363 PolarHBondContact O-N 2.98Å; A363-K366 PolarHBondContact O-N 3.12Å; A363-N367 WeakPolarHBondContact O-CB 3.42Å; A363-N367 PolarHBondContact O-N 2.94Å; A363-N367 PolarHBondContact O-ND2 2.97Å
364	M	98.7	Very high	98.5	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-52.1	174.4	-72.5	171.5	64.1	0	0	111.1	M329 F333 F360 A361 K366 N367 L368 T408 P422 L424	M329-M364 HydrophobicContact SD-CB 4.46Å; M329-M364 HydrophobicContact SD-CG 3.73Å; F333-M364 HydrophobicContact CD2-CG 4.48Å; F333-M364 HydrophobicContact CE1-CE 4.04Å; F333-M364 HydrophobicContact CE2-CE 4.21Å; F333-M364 HydrophobicContact CE2-CG 3.59Å; F333-M364 HydrophobicContact CE2-SD 3.86Å; F333-M364 HydrophobicContact CZ-CE 3.46Å; F333-M364 VanDerWaalsContact CZ-CE 3.46Å; F333-M364 HydrophobicContact CZ-CG 3.86Å; F333-M364 HydrophobicContact CZ-SD 3.6Å; F360-M364 HydrophobicContact CD2-CG 4.14Å; F360-M364 HydrophobicContact CD2-SD 4.3Å; F360-M364 HydrophobicContact CE2-CG 4.21Å; F360-M364 HydrophobicContact CE2-SD 4.36Å; F360-M364 VanDerWaalsContact O-CG 3.28Å; F360-M364 WeakPolarHBondContact O-CG 3.42Å; F360-M364 PolarHBondContact O-N 2.95Å; A361-M364 PolarHBondContact O-N 3.5Å; M364-K366 VanDerWaalsContact C-N 3.3Å; M364-K366 PolarHBondContact O-N 3.21Å; M364-N367 PolarHBondContact O-N 3.21Å; M364-L368 HydrophobicContact CB-CD1 3.95Å; M364-L368 HydrophobicContact CE-CD1 4.48Å; M364-L368 HydrophobicContact CG-CD1 3.93Å; M364-L368 VanDerWaalsContact O-CB 3.25Å; M364-L368 WeakPolarHBondContact O-CB 3.44Å; M364-L368 WeakPolarHBondContact O-CG 3.22Å; M364-L368 PolarHBondContact O-N 3.14Å; M364-T408 HydrophobicContact CE-CG2 3.52Å; M364-T408 HydrophobicContact SD-CG2 4.21Å; M364-P422 HydrophobicContact CE-CB 3.88Å; M364-P422 WeakPolarHBondContact CE-O 3.33Å; M364-L424 HydrophobicContact CE-CB 4Å; M364-L424 HydrophobicContact SD-CB 3.78Å; M364-L424 HydrophobicContact SD-CD2 4.17Å; M364-L424 HydrophobicContact SD-CG 4.41Å
365	K	98.5	Very high	98.4	Very high	170 Å²	170	52.4 Å²	52.4	74%	0.739	26%	0.258	S	S	*	.	H	α-helix	trans	-60.1	-39.5	179.3	-178.5	178.3	179	179.2	0	112.7	A361 E362 R369	A361-K365 PolarHBondContact O-N 3.48Å; E362-K365 PolarHBondContact O-N 3.08Å; K365-R369 PolarHBondContact O-NH1 3.2Å; K365-R369 VanDerWaalsContact O-NH1 3.15Å
366	K	98.4	Very high	98.2	Very high	157 Å²	157	59.4 Å²	59.4	68%	0.683	28%	0.281	S	S	*	.	H	α-helix	trans	-69.5	-45.3	-178.3	-176.2	-179.8	176.8	-178.6	0	112.1	E362 A363 M364	E362-K366 WeakPolarHBondContact O-CB 3.38Å; E362-K366 PolarHBondContact O-N 2.85Å; A363-K366 PolarHBondContact O-N 3.12Å; M364-K366 VanDerWaalsContact C-N 3.3Å; M364-K366 PolarHBondContact O-N 3.21Å
367	N	98.3	Very high	98.2	Very high	77 Å²	77	62 Å²	62	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-109.3	-20	-163.2	-56.6	-59	0	0	0	114.4	M329 A363 M364 T379	M329-N367 HydrophobicContact CE-CB 3.96Å; A363-N367 WeakPolarHBondContact O-CB 3.42Å; A363-N367 PolarHBondContact O-N 2.94Å; A363-N367 PolarHBondContact O-ND2 2.97Å; M364-N367 PolarHBondContact O-N 3.21Å; N367-T379 PolarHBondContact O-OG1 2.91Å
368	L	98.5	Very high	98.2	Very high	22 Å²	22	62.2 Å²	62.2	12%	0.115	31%	0.309	C	S	.	.			trans	-87.9	123.7	-178.5	-55.4	-178	0	0	0	110.7	M329 F333 M364 T379 Q380 P422	M329-L368 HydrophobicContact CE-CD1 4.35Å; M329-L368 HydrophobicContact CE-CD2 3.7Å; M329-L368 HydrophobicContact CE-CG 3.86Å; F333-L368 HydrophobicContact CB-CD1 4.33Å; F333-L368 HydrophobicContact CB-CD2 3.93Å; F333-L368 HydrophobicContact CD1-CD1 3.81Å; F333-L368 HydrophobicContact CD2-CD1 3.79Å; F333-L368 HydrophobicContact CD2-CD2 4.41Å; F333-L368 HydrophobicContact CE1-CD1 4.05Å; F333-L368 HydrophobicContact CE2-CD1 4.01Å; F333-L368 HydrophobicContact CG-CD1 3.7Å; F333-L368 HydrophobicContact CG-CD2 4.17Å; F333-L368 HydrophobicContact CZ-CD1 4.16Å; M364-L368 HydrophobicContact CB-CD1 3.95Å; M364-L368 HydrophobicContact CE-CD1 4.48Å; M364-L368 HydrophobicContact CG-CD1 3.93Å; M364-L368 VanDerWaalsContact O-CB 3.25Å; M364-L368 WeakPolarHBondContact O-CB 3.44Å; M364-L368 WeakPolarHBondContact O-CG 3.22Å; M364-L368 PolarHBondContact O-N 3.14Å; L368-T379 VanDerWaalsContact CA-OG1 3.29Å; L368-T379 WeakPolarHBondContact CA-OG1 3.18Å; L368-Q380 HydrophobicContact CB-CG 4.1Å; L368-Q380 HydrophobicContact CD2-CG 4.09Å; L368-Q380 HydrophobicContact CG-CG 4.46Å; L368-P422 HydrophobicContact CB-CG 4.13Å; L368-P422 HydrophobicContact CD1-CB 3.44Å; L368-P422 VanDerWaalsContact CD1-CB 3.44Å; L368-P422 HydrophobicContact CD1-CG 3.75Å
369	R	98.6	Very high	98.1	Very high	142 Å²	142	58.5 Å²	58.5	54%	0.536	30%	0.298	S	S	.	.			trans	-130.4	105.8	179.6	-67.6	-65.7	-177.2	-108.7	2.3	107.8	K365 G377 T379 Q380	K365-R369 PolarHBondContact O-NH1 3.2Å; K365-R369 VanDerWaalsContact O-NH1 3.15Å; R369-G377 WeakPolarHBondContact CB-O 3.46Å; R369-T379 PolarHBondContact N-OG1 3.01Å; R369-T379 PolarHBondContact O-N 2.63Å; R369-Q380 PolarHBondContact O-N 2.97Å
370	V	98.7	Very high	98.1	Very high	29 Å²	29	57.8 Å²	57.8	18%	0.176	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-77.4	124	177.7	-175.1	0	0	0	0	108.7	Q380 H413 L415 F419 P422	V370-Q380 WeakPolarHBondContact CA-O 3.33Å; V370-Q380 HydrophobicContact CB-CB 4.46Å; V370-Q380 HydrophobicContact CG2-CB 3.98Å; V370-H413 HydrophobicContact CG1-CB 4.3Å; V370-L415 HydrophobicContact CG1-CD1 4.42Å; V370-F419 HydrophobicContact CG1-CB 4.03Å; V370-F419 HydrophobicContact CG1-CD1 3.59Å; V370-F419 HydrophobicContact CG1-CE1 4.44Å; V370-F419 HydrophobicContact CG1-CG 4.16Å; V370-P422 HydrophobicContact CG2-CG 4.17Å
371	G	98.4	Very high	98.1	Very high	3 Å²	3	57.8 Å²	57.8	3%	0.031	29%	0.291	C	S	.	.	S	Bend	trans	-173.4	-179.3	-175.5	0	0	0	0	0	112.7	T378 Q380 F419	G371-T378 WeakPolarHBondContact O-CG2 3.1Å; G371-Q380 PolarHBondContact N-O 2.99Å; G371-F419 VanDerWaalsContact O-CE1 3.3Å; G371-F419 WeakPolarHBondContact O-CE1 3.46Å
372	N	97.9	Very high	98.1	Very high	15 Å²	15	57 Å²	57	8%	0.08	28%	0.284	C	S	.	.			trans	-68	139.6	174.2	-175.5	-73.7	0	0	0	109.6	A82 F374 E375 T378	A82-N372 WeakPolarHBondContact CB-ND2 3.44Å; N372-F374 PolarHBondContact O-N 3.41Å; N372-F374 WeakPolarHBondContact OD1-CB 3.34Å; N372-F374 WeakPolarHBondContact OD1-CD2 2.95Å; N372-F374 PolarHBondContact OD1-N 3.19Å; N372-E375 HydrophobicContact CB-CG 4.06Å; N372-E375 PolarHBondContact N-OE2 3.23Å; N372-E375 VanDerWaalsContact N-OE2 3.15Å; N372-E375 WeakPolarHBondContact O-CB 3.41Å; N372-E375 PolarHBondContact O-N 3.37Å; N372-T378 WeakPolarHBondContact O-CB 3.2Å; N372-T378 WeakPolarHBondContact O-CG2 3.12Å; N372-T378 PolarHBondContact O-OG1 3.22Å
373	G	97.7	Very high	98.1	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.031	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.2	-176.6	0	0	0	0	0	115	L150	L150-G373 WeakPolarHBondContact CB-O 3.2Å; L150-G373 PolarHBondContact N-O 3.36Å
374	F	97.1	Very high	98.1	Very high	33 Å²	33	51.9 Å²	51.9	15%	0.145	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.1	174.1	-66.9	-72.8	0	0	0	114.4	R50 R140 T143 A144 L150 N372	R50-F374 HydrophobicContact CB-CD2 4.44Å; R140-F374 HydrophobicContact CB-CE1 4.04Å; R140-F374 HydrophobicContact CG-CE1 4.03Å; R140-F374 WeakPolarHBondContact O-CZ 3.28Å; T143-F374 HydrophobicContact CG2-CD1 3.96Å; T143-F374 HydrophobicContact CG2-CD2 3.82Å; T143-F374 HydrophobicContact CG2-CE1 3.82Å; T143-F374 HydrophobicContact CG2-CE2 3.69Å; T143-F374 HydrophobicContact CG2-CG 3.96Å; T143-F374 HydrophobicContact CG2-CZ 3.68Å; A144-F374 HydrophobicContact CB-CE2 4.14Å; A144-F374 HydrophobicContact CB-CZ 3.97Å; L150-F374 HydrophobicContact CD1-CD1 4.46Å; L150-F374 HydrophobicContact CD1-CE1 4.35Å; N372-F374 PolarHBondContact O-N 3.41Å; N372-F374 WeakPolarHBondContact OD1-CB 3.34Å; N372-F374 WeakPolarHBondContact OD1-CD2 2.95Å; N372-F374 PolarHBondContact OD1-N 3.19Å
375	E	97.2	Very high	98	Very high	89 Å²	89	53.3 Å²	53.3	42%	0.416	27%	0.266	S	S	.	.	S	Bend	trans	-80	136.7	178.4	-74.1	160.6	-169.8	0	0	110.6	R50 N372 G377 T378	R50-E375 IonicContact NH2-OE1 3.57Å; R50-E375 PolarHBondContact NH2-OE1 2.83Å; N372-E375 HydrophobicContact CB-CG 4.06Å; N372-E375 PolarHBondContact N-OE2 3.23Å; N372-E375 VanDerWaalsContact N-OE2 3.15Å; N372-E375 WeakPolarHBondContact O-CB 3.41Å; N372-E375 PolarHBondContact O-N 3.37Å; E375-G377 PolarHBondContact O-N 2.91Å; E375-T378 WeakPolarHBondContact O-CB 3.36Å; E375-T378 PolarHBondContact O-N 2.8Å; E375-T378 PolarHBondContact O-OG1 2.74Å
376	E	95.4	Very high	98	Very high	204 Å²	204	48.5 Å²	48.5	95%	0.953	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	134.4	179.2	-171.3	-179.7	179.4	0	0	110.5	T378	E376-T378 VanDerWaalsContact C-N 3.25Å; E376-T378 PolarHBondContact O-N 2.85Å
377	G	97.2	Very high	97.9	Very high	55 Å²	55	47 Å²	47	57%	0.567	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-4.1	179.9	0	0	0	0	0	115.2	R369 E375 T379	R369-G377 WeakPolarHBondContact CB-O 3.46Å; E375-G377 PolarHBondContact O-N 2.91Å; G377-T379 PolarHBondContact O-N 3.27Å
378	T	98.5	Very high	97.9	Very high	18 Å²	18	44.1 Å²	44.1	11%	0.11	23%	0.226	C	C	.	.			trans	-60.5	128	169.5	-66.2	0	0	0	0	109.8	P149 G371 N372 E375 E376 Q380	P149-T378 HydrophobicContact CG-CG2 4.29Å; G371-T378 WeakPolarHBondContact O-CG2 3.1Å; N372-T378 WeakPolarHBondContact O-CB 3.2Å; N372-T378 WeakPolarHBondContact O-CG2 3.12Å; N372-T378 PolarHBondContact O-OG1 3.22Å; E375-T378 WeakPolarHBondContact O-CB 3.36Å; E375-T378 PolarHBondContact O-N 2.8Å; E375-T378 PolarHBondContact O-OG1 2.74Å; E376-T378 VanDerWaalsContact C-N 3.25Å; E376-T378 PolarHBondContact O-N 2.85Å; T378-Q380 WeakPolarHBondContact CG2-O 3.32Å
379	T	98.4	Very high	97.8	Very high	50 Å²	50	43 Å²	43	31%	0.307	22%	0.221	S	C	.	.			trans	-121.3	-8.9	175	54.6	0	0	0	0	112.5	N367 L368 R369 G377	N367-T379 PolarHBondContact O-OG1 2.91Å; L368-T379 VanDerWaalsContact CA-OG1 3.29Å; L368-T379 WeakPolarHBondContact CA-OG1 3.18Å; R369-T379 PolarHBondContact N-OG1 3.01Å; R369-T379 PolarHBondContact O-N 2.63Å; G377-T379 PolarHBondContact O-N 3.27Å
380	Q	98.8	Very high	97.8	Very high	3 Å²	3	40 Å²	40	1%	0.014	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-129.4	114.2	172.4	-67.3	-65.8	-84.2	0	0	109.8	F333 L368 R369 V370 G371 T378 P422	F333-Q380 PolarHBondContact O-NE2 3.3Å; L368-Q380 HydrophobicContact CB-CG 4.1Å; L368-Q380 HydrophobicContact CD2-CG 4.09Å; L368-Q380 HydrophobicContact CG-CG 4.46Å; R369-Q380 PolarHBondContact O-N 2.97Å; V370-Q380 WeakPolarHBondContact CA-O 3.33Å; V370-Q380 HydrophobicContact CB-CB 4.46Å; V370-Q380 HydrophobicContact CG2-CB 3.98Å; G371-Q380 PolarHBondContact N-O 2.99Å; T378-Q380 WeakPolarHBondContact CG2-O 3.32Å; Q380-P422 HydrophobicContact CG-CG 3.89Å
381	G	98.5	Very high	97.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.22	C	C	.	.			trans	-82.1	-178.9	171	0	0	0	0	0	112	T336	T336-G381 WeakPolarHBondContact CG2-O 3.44Å; T336-G381 PolarHBondContact OG1-N 2.79Å; T336-G381 PolarHBondContact OG1-O 3.33Å
382	P	98.5	Very high	97.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.219	C	C	.	.			trans	-67.9	163.8	172.6	36.2	-40.2	0	0	0	111.3	P81 A82 G147 Q338 N418 F419	P81-P382 HydrophobicContact CB-CG 4.08Å; P81-P382 HydrophobicContact CG-CG 4.1Å; A82-P382 HydrophobicContact CB-CG 3.8Å; G147-P382 VanDerWaalsContact O-CD 3.32Å; G147-P382 WeakPolarHBondContact O-CD 3.31Å; Q338-P382 PolarHBondContact NE2-O 2.88Å; P382-N418 HydrophobicContact CB-CB 4.01Å; P382-F419 HydrophobicContact CB-CD1 3.96Å; P382-F419 HydrophobicContact CB-CE1 3.77Å; P382-F419 HydrophobicContact CB-CE2 4.47Å; P382-F419 HydrophobicContact CB-CG 4.41Å; P382-F419 HydrophobicContact CB-CZ 4.06Å; P382-F419 HydrophobicContact CG-CE1 4.27Å; P382-F419 HydrophobicContact CG-CZ 4.46Å
383	L	98.7	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.			trans	-71.3	157.6	157.8	-65.2	-179.7	0	0	0	110.5	T336 Q338 N385 A388 V389 V392 N418 F420	T336-L383 HydrophobicContact CG2-CD2 4.11Å; Q338-L383 VanDerWaalsContact CD-CD2 3.42Å; Q338-L383 HydrophobicContact CG-CD2 3.75Å; Q338-L383 VanDerWaalsContact OE1-CA 3.27Å; L383-N385 VanDerWaalsContact C-N 3.31Å; L383-N385 PolarHBondContact O-N 2.81Å; L383-A388 HydrophobicContact CB-CB 3.94Å; L383-A388 HydrophobicContact CD1-CB 4.18Å; L383-V389 HydrophobicContact CB-CG2 4.3Å; L383-V389 HydrophobicContact CD1-CB 4.49Å; L383-V389 HydrophobicContact CD1-CG2 4.08Å; L383-V392 HydrophobicContact CD1-CG2 3.92Å; L383-N418 HydrophobicContact CB-CB 4.45Å; L383-N418 PolarHBondContact N-O 2.67Å; L383-N418 WeakPolarHBondContact O-CB 3.38Å; L383-F420 HydrophobicContact CD1-CB 4.28Å
384	I	98.4	Very high	97.6	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.062	25%	0.248	C	C	.	.	S	Bend	trans	-61.6	-35.8	-172.2	-168.1	62.4	0	0	0	113.7	W204 D232 A388	W204-I384 HydrophobicContact CD2-CB 4.07Å; W204-I384 HydrophobicContact CD2-CD1 4.11Å; W204-I384 HydrophobicContact CD2-CG1 3.73Å; W204-I384 HydrophobicContact CD2-CG2 4.27Å; W204-I384 HydrophobicContact CE3-CB 3.9Å; W204-I384 HydrophobicContact CE3-CD1 3.79Å; W204-I384 HydrophobicContact CE3-CG1 3.79Å; W204-I384 HydrophobicContact CE3-CG2 4.47Å; W204-I384 HydrophobicContact CG-CD1 4.46Å; W204-I384 HydrophobicContact CG-CG1 4.14Å; W204-I384 HydrophobicContact CH2-CB 3.71Å; W204-I384 HydrophobicContact CH2-CG1 4.44Å; W204-I384 HydrophobicContact CH2-CG2 3.66Å; W204-I384 HydrophobicContact CZ2-CB 3.9Å; W204-I384 HydrophobicContact CZ2-CG1 4.42Å; W204-I384 HydrophobicContact CZ2-CG2 3.42Å; W204-I384 VanDerWaalsContact CZ2-CG2 3.42Å; W204-I384 HydrophobicContact CZ3-CB 3.72Å; W204-I384 HydrophobicContact CZ3-CD1 4.3Å; W204-I384 HydrophobicContact CZ3-CG1 4.16Å; W204-I384 HydrophobicContact CZ3-CG2 4.2Å; D232-I384 HydrophobicContact CB-CD1 3.94Å; D232-I384 HydrophobicContact CB-CG1 3.95Å; I384-A388 HydrophobicContact CG2-CB 4.12Å
385	N	97.4	Very high	97.6	Very high	35 Å²	35	47.6 Å²	47.6	19%	0.187	24%	0.242	C	C	.	.	S	Bend	trans	-162	172.3	-179.6	58.4	48	0	0	0	112	L383 K387 A388 V389 N418	L383-N385 VanDerWaalsContact C-N 3.31Å; L383-N385 PolarHBondContact O-N 2.81Å; N385-K387 PolarHBondContact O-N 2.79Å; N385-K387 WeakPolarHBondContact OD1-CB 3.36Å; N385-K387 PolarHBondContact OD1-N 2.9Å; N385-A388 WeakPolarHBondContact O-CB 3.37Å; N385-A388 PolarHBondContact O-N 3Å; N385-A388 PolarHBondContact OD1-N 2.81Å; N385-A388 VanDerWaalsContact OD1-N 3.17Å; N385-V389 PolarHBondContact O-N 2.81Å; N385-N418 VanDerWaalsContact C-OD1 3.25Å
386	E	97.5	Very high	97.7	Very high	70 Å²	70	43.5 Å²	43.5	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-56.2	-34.6	-178.8	-177.9	60.4	-157.6	0	0	112.9	A388 V389 E390 R412 N418	E386-A388 VanDerWaalsContact C-N 3.29Å; E386-A388 PolarHBondContact O-N 2.79Å; E386-V389 WeakPolarHBondContact O-CB 3.5Å; E386-V389 PolarHBondContact O-N 3.22Å; E386-V389 VanDerWaalsContact O-N 3.13Å; E386-E390 HydrophobicContact CG-CG 4.49Å; E386-E390 WeakPolarHBondContact O-CG 3.5Å; E386-E390 PolarHBondContact O-N 2.91Å; E386-R412 VanDerWaalsContact CD-NH1 3.33Å; E386-R412 IonicContact OE1-CZ 3.32Å; E386-R412 IonicContact OE1-NH1 3.81Å; E386-R412 PolarHBondContact OE1-NH1 2.7Å; E386-R412 IonicContact OE1-NH2 2.97Å; E386-R412 PolarHBondContact OE1-NH2 2.91Å; E386-R412 IonicContact OE2-NH1 3.49Å; E386-R412 PolarHBondContact OE2-NH1 2.94Å; E386-R412 VanDerWaalsContact OE2-NH1 3.15Å; E386-N418 PolarHBondContact N-OD1 3.41Å; E386-N418 VanDerWaalsContact N-OD1 3.1Å
387	K	96.7	Very high	97.8	Very high	125 Å²	125	38.8 Å²	38.8	54%	0.543	20%	0.204	S	C	.	.	H	α-helix	trans	-65.5	-32.2	178	-63.6	-55.7	-170.7	178.3	0	112.8	N385 E390 K391	N385-K387 PolarHBondContact O-N 2.79Å; N385-K387 WeakPolarHBondContact OD1-CB 3.36Å; N385-K387 PolarHBondContact OD1-N 2.9Å; K387-E390 WeakPolarHBondContact CD-OE2 3.24Å; K387-E390 IonicContact NZ-OE1 3.25Å; K387-E390 PolarHBondContact NZ-OE1 3.33Å; K387-E390 IonicContact NZ-OE2 2.77Å; K387-E390 PolarHBondContact NZ-OE2 3.25Å; K387-K391 PolarHBondContact O-N 2.88Å; K387-K391 VanDerWaalsContact O-N 3.17Å
388	A	96.9	Very high	97.9	Very high	16 Å²	16	37.6 Å²	37.6	13%	0.132	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-39.7	173.2	0	0	0	0	0	111.1	L383 I384 N385 E386 K391 V392	L383-A388 HydrophobicContact CB-CB 3.94Å; L383-A388 HydrophobicContact CD1-CB 4.18Å; I384-A388 HydrophobicContact CG2-CB 4.12Å; N385-A388 WeakPolarHBondContact O-CB 3.37Å; N385-A388 PolarHBondContact O-N 3Å; N385-A388 PolarHBondContact OD1-N 2.81Å; N385-A388 VanDerWaalsContact OD1-N 3.17Å; E386-A388 VanDerWaalsContact C-N 3.29Å; E386-A388 PolarHBondContact O-N 2.79Å; A388-K391 PolarHBondContact O-N 2.96Å; A388-V392 WeakPolarHBondContact O-CG2 3.27Å; A388-V392 PolarHBondContact O-N 3.23Å
389	V	97.9	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-51.2	174.8	-174	0	0	0	0	111.1	L383 N385 E386 K391 V392 E393 R412 N418 F420	L383-V389 HydrophobicContact CB-CG2 4.3Å; L383-V389 HydrophobicContact CD1-CB 4.49Å; L383-V389 HydrophobicContact CD1-CG2 4.08Å; N385-V389 PolarHBondContact O-N 2.81Å; E386-V389 WeakPolarHBondContact O-CB 3.5Å; E386-V389 PolarHBondContact O-N 3.22Å; E386-V389 VanDerWaalsContact O-N 3.13Å; V389-K391 PolarHBondContact O-N 3.36Å; V389-V392 PolarHBondContact O-N 3.07Å; V389-V392 VanDerWaalsContact O-N 3.11Å; V389-E393 HydrophobicContact CG1-CG 4.49Å; V389-E393 PolarHBondContact O-N 3.08Å; V389-R412 HydrophobicContact CG1-CG 3.96Å; V389-N418 HydrophobicContact CG2-CB 4.13Å; V389-F420 HydrophobicContact CG1-CD2 4.11Å
390	E	97.7	Very high	97.9	Very high	78 Å²	78	37.4 Å²	37.4	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-53.1	-39	177.2	-72.5	173.1	-169.7	0	0	111.5	E386 K387 K394	E386-E390 HydrophobicContact CG-CG 4.49Å; E386-E390 WeakPolarHBondContact O-CG 3.5Å; E386-E390 PolarHBondContact O-N 2.91Å; K387-E390 WeakPolarHBondContact CD-OE2 3.24Å; K387-E390 IonicContact NZ-OE1 3.25Å; K387-E390 PolarHBondContact NZ-OE1 3.33Å; K387-E390 IonicContact NZ-OE2 2.77Å; K387-E390 PolarHBondContact NZ-OE2 3.25Å; E390-K394 WeakPolarHBondContact O-CB 2.84Å; E390-K394 PolarHBondContact O-N 2.93Å
391	K	96.6	Very high	97.8	Very high	76 Å²	76	41.9 Å²	41.9	33%	0.33	22%	0.215	S	C	.	.	H	α-helix	trans	-67.1	-45.5	179	-170	178.8	-174.6	-178.6	0	112.3	K387 A388 V389 K394 Q395 E438	K387-K391 PolarHBondContact O-N 2.88Å; K387-K391 VanDerWaalsContact O-N 3.17Å; A388-K391 PolarHBondContact O-N 2.96Å; V389-K391 PolarHBondContact O-N 3.36Å; K391-K394 PolarHBondContact O-N 3.06Å; K391-Q395 WeakPolarHBondContact O-CG 3.09Å; K391-Q395 PolarHBondContact O-N 3.13Å; K391-Q395 VanDerWaalsContact O-N 3.1Å; K391-E438 WeakPolarHBondContact CE-O 3.25Å; K391-E438 PolarHBondContact NZ-O 3.47Å
392	V	97.6	Very high	97.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-44.4	178.3	178.3	0	0	0	0	110.2	L383 A388 V389 K394 Q395 V396 F420 L443	L383-V392 HydrophobicContact CD1-CG2 3.92Å; A388-V392 WeakPolarHBondContact O-CG2 3.27Å; A388-V392 PolarHBondContact O-N 3.23Å; V389-V392 PolarHBondContact O-N 3.07Å; V389-V392 VanDerWaalsContact O-N 3.11Å; V392-K394 VanDerWaalsContact C-N 3.33Å; V392-K394 PolarHBondContact O-N 2.99Å; V392-Q395 PolarHBondContact O-N 2.95Å; V392-V396 HydrophobicContact CG1-CG2 4.37Å; V392-V396 WeakPolarHBondContact O-CG2 3.14Å; V392-V396 PolarHBondContact O-N 3.27Å; V392-F420 HydrophobicContact CG1-CD1 3.62Å; V392-F420 HydrophobicContact CG1-CD2 4.46Å; V392-F420 HydrophobicContact CG1-CE1 3.38Å; V392-F420 HydrophobicContact CG1-CE2 4.27Å; V392-F420 HydrophobicContact CG1-CG 4.16Å; V392-F420 HydrophobicContact CG1-CZ 3.75Å; V392-L443 HydrophobicContact CG1-CB 4.33Å
393	E	97.8	Very high	97.8	Very high	51 Å²	51	48.4 Å²	48.4	24%	0.238	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-46.3	174.7	-74.2	-178.4	137	0	0	112	V389 Q395 V396 N397 R412 F420	V389-E393 HydrophobicContact CG1-CG 4.49Å; V389-E393 PolarHBondContact O-N 3.08Å; E393-Q395 VanDerWaalsContact C-N 3.31Å; E393-Q395 PolarHBondContact O-N 3.07Å; E393-V396 PolarHBondContact O-N 3.09Å; E393-N397 WeakPolarHBondContact O-CB 3.47Å; E393-N397 PolarHBondContact O-N 2.6Å; E393-N397 PolarHBondContact O-ND2 3.3Å; E393-N397 VanDerWaalsContact O-ND2 3.16Å; E393-R412 VanDerWaalsContact CD-NE 3.28Å; E393-R412 WeakPolarHBondContact OE1-CD 3.35Å; E393-R412 WeakPolarHBondContact OE1-CG 3.29Å; E393-R412 IonicContact OE1-CZ 2.8Å; E393-R412 IonicContact OE1-NE 3.15Å; E393-R412 PolarHBondContact OE1-NE 3.14Å; E393-R412 IonicContact OE1-NH2 3.32Å; E393-R412 IonicContact OE2-CZ 2.8Å; E393-R412 IonicContact OE2-NE 2.73Å; E393-R412 PolarHBondContact OE2-NE 3.38Å; E393-R412 IonicContact OE2-NH2 3.71Å; E393-R412 PolarHBondContact OE2-NH2 3.28Å; E393-F420 HydrophobicContact CG-CD2 4.45Å; E393-F420 HydrophobicContact CG-CE2 3.57Å; E393-F420 HydrophobicContact CG-CZ 4.31Å
394	K	97.7	Very high	97.8	Very high	113 Å²	113	48.7 Å²	48.7	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-57.8	-44.1	177.9	-175.2	-172.3	175.6	-157.5	0	111.7	E390 K391 V392 D398 E437	E390-K394 WeakPolarHBondContact O-CB 2.84Å; E390-K394 PolarHBondContact O-N 2.93Å; K391-K394 PolarHBondContact O-N 3.06Å; V392-K394 VanDerWaalsContact C-N 3.33Å; V392-K394 PolarHBondContact O-N 2.99Å; K394-D398 WeakPolarHBondContact O-CB 3.42Å; K394-D398 PolarHBondContact O-N 2.81Å; K394-E437 IonicContact NZ-OE1 2.89Å
395	Q	97.4	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.7	-39.1	-179	-71.7	171.9	-22.2	0	0	112.7	K391 V392 E393 A399 C434 T439 L443	K391-Q395 WeakPolarHBondContact O-CG 3.09Å; K391-Q395 PolarHBondContact O-N 3.13Å; K391-Q395 VanDerWaalsContact O-N 3.1Å; V392-Q395 PolarHBondContact O-N 2.95Å; E393-Q395 VanDerWaalsContact C-N 3.31Å; E393-Q395 PolarHBondContact O-N 3.07Å; Q395-A399 WeakPolarHBondContact O-CB 3.36Å; Q395-A399 PolarHBondContact O-N 2.98Å; Q395-A399 VanDerWaalsContact O-N 3.1Å; Q395-C434 HydrophobicContact CB-CB 4.34Å; Q395-T439 PolarHBondContact NE2-OG1 2.87Å; Q395-T439 PolarHBondContact OE1-OG1 2.88Å; Q395-L443 HydrophobicContact CB-CD2 3.91Å
396	V	98.1	Very high	97.9	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-49.6	173.9	172.8	0	0	0	0	110.2	V392 E393 D398 A399 V400 F420 T423 L443	V392-V396 HydrophobicContact CG1-CG2 4.37Å; V392-V396 WeakPolarHBondContact O-CG2 3.14Å; V392-V396 PolarHBondContact O-N 3.27Å; E393-V396 PolarHBondContact O-N 3.09Å; V396-D398 PolarHBondContact O-N 3.37Å; V396-A399 PolarHBondContact O-N 3.49Å; V396-V400 HydrophobicContact CG1-CG2 4.36Å; V396-V400 WeakPolarHBondContact O-CG2 3.39Å; V396-V400 PolarHBondContact O-N 3.06Å; V396-F420 HydrophobicContact CG2-CE1 4.45Å; V396-F420 HydrophobicContact CG2-CZ 4.37Å; V396-T423 HydrophobicContact CG2-CG2 4.15Å; V396-L443 HydrophobicContact CG2-CD1 3.83Å; V396-L443 HydrophobicContact CG2-CD2 3.94Å; V396-L443 HydrophobicContact CG2-CG 4.48Å
397	N	98.2	Very high	97.9	Very high	105 Å²	105	52 Å²	52	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-63.1	-43.3	-178.4	-69.9	-28.2	0	0	0	112.3	E393 S401	E393-N397 WeakPolarHBondContact O-CB 3.47Å; E393-N397 PolarHBondContact O-N 2.6Å; E393-N397 PolarHBondContact O-ND2 3.3Å; E393-N397 VanDerWaalsContact O-ND2 3.16Å; N397-S401 VanDerWaalsContact O-CB 3.3Å; N397-S401 WeakPolarHBondContact O-CB 3.26Å; N397-S401 PolarHBondContact O-N 3.36Å; N397-S401 PolarHBondContact O-OG 3.49Å
398	D	98.4	Very high	98	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.16	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-49.6	175.7	177.9	83.8	0	0	0	111.4	K394 V396 V400 S401 K402 L433	K394-D398 WeakPolarHBondContact O-CB 3.42Å; K394-D398 PolarHBondContact O-N 2.81Å; V396-D398 PolarHBondContact O-N 3.37Å; D398-V400 PolarHBondContact O-N 3.22Å; D398-S401 PolarHBondContact O-N 3.02Å; D398-S401 PolarHBondContact O-OG 3.5Å; D398-K402 WeakPolarHBondContact O-CG 3.34Å; D398-K402 PolarHBondContact O-N 3.38Å; D398-K402 VanDerWaalsContact OD1-CE 3.27Å; D398-K402 WeakPolarHBondContact OD1-CE 3.37Å; D398-K402 IonicContact OD1-NZ 2.81Å; D398-K402 PolarHBondContact OD1-NZ 2.95Å; D398-K402 IonicContact OD2-NZ 3.42Å; D398-K402 PolarHBondContact OD2-NZ 3.22Å; D398-L433 HydrophobicContact CB-CB 4.22Å; D398-L433 HydrophobicContact CB-CD1 3.74Å; D398-L433 HydrophobicContact CB-CG 4.06Å; D398-L433 VanDerWaalsContact CG-CG 3.45Å; D398-L433 WeakPolarHBondContact OD2-CB 3.43Å; D398-L433 WeakPolarHBondContact OD2-CG 3.48Å; D398-L433 PolarHBondContact OD2-N 2.94Å
399	A	98.1	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-47.7	-179.2	0	0	0	0	0	111.5	Q395 V396 S401 K402 G403 A404 L425 M432	Q395-A399 WeakPolarHBondContact O-CB 3.36Å; Q395-A399 PolarHBondContact O-N 2.98Å; Q395-A399 VanDerWaalsContact O-N 3.1Å; V396-A399 PolarHBondContact O-N 3.49Å; A399-S401 VanDerWaalsContact C-N 3.35Å; A399-S401 PolarHBondContact O-N 3.02Å; A399-K402 CarbonylContact O-C 3.56Å; A399-K402 PolarHBondContact O-N 3.36Å; A399-K402 VanDerWaalsContact O-N 3.13Å; A399-G403 PolarHBondContact O-N 2.87Å; A399-A404 VanDerWaalsContact C-CB 3.44Å; A399-A404 HydrophobicContact CB-CB 3.81Å; A399-A404 WeakPolarHBondContact O-CB 3.38Å; A399-A404 PolarHBondContact O-N 2.87Å; A399-L425 HydrophobicContact CB-CD1 3.75Å; A399-M432 HydrophobicContact CB-CB 4.45Å; A399-M432 HydrophobicContact CB-SD 3.76Å
400	V	98.4	Very high	98	Very high	64 Å²	64	49.9 Å²	49.9	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-40.9	178.8	173.7	0	0	0	0	111.3	V396 D398 K402 G403 V406	V396-V400 HydrophobicContact CG1-CG2 4.36Å; V396-V400 WeakPolarHBondContact O-CG2 3.39Å; V396-V400 PolarHBondContact O-N 3.06Å; D398-V400 PolarHBondContact O-N 3.22Å; V400-K402 PolarHBondContact O-N 3.28Å; V400-K402 VanDerWaalsContact O-N 3.15Å; V400-G403 PolarHBondContact O-N 3.4Å; V400-G403 VanDerWaalsContact O-N 3.11Å; V400-V406 HydrophobicContact CG2-CG2 3.62Å
401	S	98.2	Very high	98.1	Very high	98 Å²	98	52.3 Å²	52.3	69%	0.685	30%	0.3	S	S	*	.	H	α-helix	trans	-64.9	-17.4	177.7	75.8	0	0	0	0	113.9	N397 D398 A399	N397-S401 VanDerWaalsContact O-CB 3.3Å; N397-S401 WeakPolarHBondContact O-CB 3.26Å; N397-S401 PolarHBondContact O-N 3.36Å; N397-S401 PolarHBondContact O-OG 3.49Å; D398-S401 PolarHBondContact O-N 3.02Å; D398-S401 PolarHBondContact O-OG 3.5Å; A399-S401 VanDerWaalsContact C-N 3.35Å; A399-S401 PolarHBondContact O-N 3.02Å
402	K	98.4	Very high	98.1	Very high	89 Å²	89	52.6 Å²	52.6	39%	0.387	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	7.9	177.8	-69.3	173.4	178.3	166.7	0	113.5	D398 A399 V400 D431 M432	D398-K402 WeakPolarHBondContact O-CG 3.34Å; D398-K402 PolarHBondContact O-N 3.38Å; D398-K402 VanDerWaalsContact OD1-CE 3.27Å; D398-K402 WeakPolarHBondContact OD1-CE 3.37Å; D398-K402 IonicContact OD1-NZ 2.81Å; D398-K402 PolarHBondContact OD1-NZ 2.95Å; D398-K402 IonicContact OD2-NZ 3.42Å; D398-K402 PolarHBondContact OD2-NZ 3.22Å; A399-K402 CarbonylContact O-C 3.56Å; A399-K402 PolarHBondContact O-N 3.36Å; A399-K402 VanDerWaalsContact O-N 3.13Å; V400-K402 PolarHBondContact O-N 3.28Å; V400-K402 VanDerWaalsContact O-N 3.15Å; K402-D431 PolarHBondContact NZ-O 2.88Å; K402-M432 HydrophobicContact CB-CE 3.88Å; K402-M432 HydrophobicContact CB-CG 4.24Å; K402-M432 HydrophobicContact CD-CG 4.1Å
403	G	98	Very high	98.2	Very high	50 Å²	50	54.2 Å²	54.2	52%	0.515	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.9	1.2	173.8	0	0	0	0	0	115.8	A399 V400	A399-G403 PolarHBondContact O-N 2.87Å; V400-G403 PolarHBondContact O-N 3.4Å; V400-G403 VanDerWaalsContact O-N 3.11Å
404	A	98.3	Very high	98.2	Very high	6 Å²	6	60.3 Å²	60.3	5%	0.05	34%	0.335	C	S	.	.			trans	-63.9	147.2	171.1	0	0	0	0	0	110.9	A399 V428 M432	A399-A404 VanDerWaalsContact C-CB 3.44Å; A399-A404 HydrophobicContact CB-CB 3.81Å; A399-A404 WeakPolarHBondContact O-CB 3.38Å; A399-A404 PolarHBondContact O-N 2.87Å; A404-V428 HydrophobicContact CB-CG2 4.05Å; A404-M432 HydrophobicContact CB-CE 3.92Å; A404-M432 HydrophobicContact CB-SD 3.87Å
405	T	98.6	Very high	98.2	Very high	67 Å²	67	59.1 Å²	59.1	41%	0.411	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127	178.9	-55.2	0	0	0	0	109.9	V407 L425 C426 N427	T405-V407 PolarHBondContact O-N 3.38Å; T405-L425 WeakPolarHBondContact O-CA 3.49Å; T405-C426 PolarHBondContact N-O 2.91Å; T405-C426 PolarHBondContact O-N 3.42Å; T405-N427 PolarHBondContact OG1-ND2 2.99Å
406	V	98.6	Very high	98.1	Very high	61 Å²	61	60.5 Å²	60.5	37%	0.37	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116	172.8	-177.3	0	0	0	0	109.3	V400 L425	V400-V406 HydrophobicContact CG2-CG2 3.62Å; V406-L425 HydrophobicContact CB-CD2 4.15Å; V406-L425 HydrophobicContact CG1-CD2 4.38Å; V406-L425 HydrophobicContact CG2-CD2 3.69Å
407	V	98.6	Very high	98.1	Very high	58 Å²	58	65.9 Å²	65.9	35%	0.352	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-41	174.9	-176.7	0	0	0	0	110.6	V357 A361 T405 L424 C426	V357-V407 HydrophobicContact CG1-CG1 4.42Å; V357-V407 HydrophobicContact CG1-CG2 4.03Å; A361-V407 HydrophobicContact CB-CG1 3.8Å; T405-V407 PolarHBondContact O-N 3.38Å; V407-L424 HydrophobicContact CB-CB 4.26Å; V407-L424 HydrophobicContact CB-CD2 4.13Å; V407-L424 HydrophobicContact CB-CG 4.17Å; V407-L424 WeakPolarHBondContact CB-O 3.34Å; V407-L424 HydrophobicContact CG1-CD2 4.09Å; V407-L424 HydrophobicContact CG2-CD2 4.5Å; V407-L424 HydrophobicContact CG2-CG 4.38Å; V407-L424 PolarHBondContact N-O 2.82Å; V407-C426 HydrophobicContact CG2-CB 3.94Å; V407-C426 VanDerWaalsContact CG2-SG 3.53Å
408	T	98.4	Very high	98.1	Very high	52 Å²	52	62 Å²	62	32%	0.319	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	157	173.9	-161.4	0	0	0	0	110.7	M364 T423 L424	M364-T408 HydrophobicContact CE-CG2 3.52Å; M364-T408 HydrophobicContact SD-CG2 4.21Å; T408-T423 WeakPolarHBondContact O-CA 3.24Å; T408-L424 HydrophobicContact CG2-CB 4.03Å; T408-L424 PolarHBondContact O-N 3.16Å; T408-L424 VanDerWaalsContact O-N 3.11Å
409	G	98.2	Very high	98.1	Very high	25 Å²	25	61 Å²	61	26%	0.258	35%	0.345	S	S	.	.			trans	73	-135.3	-178.9	0	0	0	0	0	113.6	E421	G409-E421 WeakPolarHBondContact CA-OE2 3.47Å
410	G	97.3	Very high	98.1	Very high	19 Å²	19	61.2 Å²	61.2	20%	0.196	35%	0.346	C	S	.	.			trans	101	1.2	171.8	0	0	0	0	0	115.6	T423	G410-T423 WeakPolarHBondContact CA-OG1 3.37Å; G410-T423 PolarHBondContact N-OG1 2.92Å
411	K	98.2	Very high	98.1	Very high	129 Å²	129	60.1 Å²	60.1	56%	0.561	34%	0.336	S	S	*	.	S	Bend	trans	-145.9	170.2	-176.4	57.4	-176.9	178.3	-171.7	0	111.7	E421	K411-E421 WeakPolarHBondContact CE-OE1 3.24Å; K411-E421 VanDerWaalsContact CE-OE2 3.23Å; K411-E421 WeakPolarHBondContact CE-OE2 3.46Å; K411-E421 HydrophobicContact CG-CG 4.42Å; K411-E421 WeakPolarHBondContact CG-OE2 3.4Å; K411-E421 WeakPolarHBondContact O-CB 3.32Å; K411-E421 WeakPolarHBondContact O-CG 3.5Å; K411-E421 PolarHBondContact O-N 2.71Å
412	R	98.5	Very high	98.1	Very high	83 Å²	83	56.3 Å²	56.3	31%	0.313	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-57.3	140.1	169.2	-59.4	-173.1	-175.6	-140.9	-1.5	110	E386 V389 E393 F420	E386-R412 VanDerWaalsContact CD-NH1 3.33Å; E386-R412 IonicContact OE1-CZ 3.32Å; E386-R412 IonicContact OE1-NH1 3.81Å; E386-R412 PolarHBondContact OE1-NH1 2.7Å; E386-R412 IonicContact OE1-NH2 2.97Å; E386-R412 PolarHBondContact OE1-NH2 2.91Å; E386-R412 IonicContact OE2-NH1 3.49Å; E386-R412 PolarHBondContact OE2-NH1 2.94Å; E386-R412 VanDerWaalsContact OE2-NH1 3.15Å; V389-R412 HydrophobicContact CG1-CG 3.96Å; E393-R412 VanDerWaalsContact CD-NE 3.28Å; E393-R412 WeakPolarHBondContact OE1-CD 3.35Å; E393-R412 WeakPolarHBondContact OE1-CG 3.29Å; E393-R412 IonicContact OE1-CZ 2.8Å; E393-R412 IonicContact OE1-NE 3.15Å; E393-R412 PolarHBondContact OE1-NE 3.14Å; E393-R412 IonicContact OE1-NH2 3.32Å; E393-R412 IonicContact OE2-CZ 2.8Å; E393-R412 IonicContact OE2-NE 2.73Å; E393-R412 PolarHBondContact OE2-NE 3.38Å; E393-R412 IonicContact OE2-NH2 3.71Å; E393-R412 PolarHBondContact OE2-NH2 3.28Å; R412-F420 HydrophobicContact CG-CD2 4.24Å; R412-F420 HydrophobicContact CG-CE2 4.36Å
413	H	98.6	Very high	98.2	Very high	35 Å²	35	52.1 Å²	52.1	16%	0.162	29%	0.291	C	S	.	.			trans	-72.3	151	178.2	-174.6	-101.3	0	0	0	110.4	V370 L415 G416 F419 E421	V370-H413 HydrophobicContact CG1-CB 4.3Å; H413-L415 WeakPolarHBondContact ND1-CG 3.3Å; H413-L415 PolarHBondContact ND1-N 3.08Å; H413-L415 PolarHBondContact O-N 3.25Å; H413-G416 PolarHBondContact O-N 3.33Å; H413-F419 HydrophobicContact CB-CB 3.88Å; H413-F419 PolarHBondContact N-O 3.37Å; H413-E421 HydrophobicContact CB-CG 4.05Å
414	Q	97.9	Very high	98.2	Very high	179 Å²	179	49.7 Å²	49.7	84%	0.836	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.9	-177.6	65.4	177.5	21.3	0	0	115.2	G416	Q414-G416 PolarHBondContact O-N 3.28Å
415	L	97.4	Very high	98.2	Very high	89 Å²	89	49.4 Å²	49.4	47%	0.466	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.2	172.3	-71.7	172.9	0	0	0	113	V370 H413 F419	V370-L415 HydrophobicContact CG1-CD1 4.42Å; H413-L415 WeakPolarHBondContact ND1-CG 3.3Å; H413-L415 PolarHBondContact ND1-N 3.08Å; H413-L415 PolarHBondContact O-N 3.25Å; L415-F419 HydrophobicContact CB-CB 4.28Å; L415-F419 HydrophobicContact CB-CD2 3.78Å; L415-F419 HydrophobicContact CB-CE2 4.38Å; L415-F419 HydrophobicContact CB-CG 4.13Å; L415-F419 HydrophobicContact CD1-CD2 4.44Å; L415-F419 HydrophobicContact CD1-CG 4.42Å
416	G	96.6	Very high	98.2	Very high	29 Å²	29	47 Å²	47	30%	0.299	25%	0.249	S	C	.	.			trans	67.4	-156.1	-178.5	0	0	0	0	0	112.8	H413 Q414 N418 F419	H413-G416 PolarHBondContact O-N 3.33Å; Q414-G416 PolarHBondContact O-N 3.28Å; G416-N418 PolarHBondContact O-N 2.97Å; G416-F419 WeakPolarHBondContact O-CB 3.4Å; G416-F419 VanDerWaalsContact O-CD2 3.32Å; G416-F419 WeakPolarHBondContact O-CD2 3.36Å; G416-F419 PolarHBondContact O-N 3.09Å; G416-F419 VanDerWaalsContact O-N 3.16Å
417	K	96.4	Very high	98.1	Very high	116 Å²	116	47.9 Å²	47.9	50%	0.504	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-131.8	-179.5	-52.9	178.1	-174.6	178.5	0	111	A82 S83 F419	A82-K417 VanDerWaalsContact O-CD 3.25Å; A82-K417 WeakPolarHBondContact O-CD 3.43Å; A82-K417 PolarHBondContact O-NZ 3.35Å; S83-K417 PolarHBondContact O-NZ 2.88Å; K417-F419 VanDerWaalsContact C-N 3.34Å
418	N	98.1	Very high	98.1	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	13.4	-178.4	-56.5	-38.4	0	0	0	113.9	P81 P382 L383 N385 E386 V389 G416	P81-N418 PolarHBondContact O-ND2 3.35Å; P382-N418 HydrophobicContact CB-CB 4.01Å; L383-N418 HydrophobicContact CB-CB 4.45Å; L383-N418 PolarHBondContact N-O 2.67Å; L383-N418 WeakPolarHBondContact O-CB 3.38Å; N385-N418 VanDerWaalsContact C-OD1 3.25Å; E386-N418 PolarHBondContact N-OD1 3.41Å; E386-N418 VanDerWaalsContact N-OD1 3.1Å; V389-N418 HydrophobicContact CG2-CB 4.13Å; G416-N418 PolarHBondContact O-N 2.97Å
419	F	98.7	Very high	98	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.039	24%	0.239	C	C	.	.			trans	-84.7	126.7	178.9	-65	-78.4	0	0	0	111	A82 V370 G371 P382 H413 L415 G416 K417	A82-F419 HydrophobicContact CB-CE2 4.35Å; A82-F419 HydrophobicContact CB-CZ 3.68Å; V370-F419 HydrophobicContact CG1-CB 4.03Å; V370-F419 HydrophobicContact CG1-CD1 3.59Å; V370-F419 HydrophobicContact CG1-CE1 4.44Å; V370-F419 HydrophobicContact CG1-CG 4.16Å; G371-F419 VanDerWaalsContact O-CE1 3.3Å; G371-F419 WeakPolarHBondContact O-CE1 3.46Å; P382-F419 HydrophobicContact CB-CD1 3.96Å; P382-F419 HydrophobicContact CB-CE1 3.77Å; P382-F419 HydrophobicContact CB-CE2 4.47Å; P382-F419 HydrophobicContact CB-CG 4.41Å; P382-F419 HydrophobicContact CB-CZ 4.06Å; P382-F419 HydrophobicContact CG-CE1 4.27Å; P382-F419 HydrophobicContact CG-CZ 4.46Å; H413-F419 HydrophobicContact CB-CB 3.88Å; H413-F419 PolarHBondContact N-O 3.37Å; L415-F419 HydrophobicContact CB-CB 4.28Å; L415-F419 HydrophobicContact CB-CD2 3.78Å; L415-F419 HydrophobicContact CB-CE2 4.38Å; L415-F419 HydrophobicContact CB-CG 4.13Å; L415-F419 HydrophobicContact CD1-CD2 4.44Å; L415-F419 HydrophobicContact CD1-CG 4.42Å; G416-F419 WeakPolarHBondContact O-CB 3.4Å; G416-F419 VanDerWaalsContact O-CD2 3.32Å; G416-F419 WeakPolarHBondContact O-CD2 3.36Å; G416-F419 PolarHBondContact O-N 3.09Å; G416-F419 VanDerWaalsContact O-N 3.16Å; K417-F419 VanDerWaalsContact C-N 3.34Å
420	F	98.7	Very high	97.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-119.6	144.6	177.2	-158.8	-94.9	0	0	0	110.6	L383 V389 V392 E393 V396 R412 T423 P442	L383-F420 HydrophobicContact CD1-CB 4.28Å; V389-F420 HydrophobicContact CG1-CD2 4.11Å; V392-F420 HydrophobicContact CG1-CD1 3.62Å; V392-F420 HydrophobicContact CG1-CD2 4.46Å; V392-F420 HydrophobicContact CG1-CE1 3.38Å; V392-F420 HydrophobicContact CG1-CE2 4.27Å; V392-F420 HydrophobicContact CG1-CG 4.16Å; V392-F420 HydrophobicContact CG1-CZ 3.75Å; E393-F420 HydrophobicContact CG-CD2 4.45Å; E393-F420 HydrophobicContact CG-CE2 3.57Å; E393-F420 HydrophobicContact CG-CZ 4.31Å; V396-F420 HydrophobicContact CG2-CE1 4.45Å; V396-F420 HydrophobicContact CG2-CZ 4.37Å; R412-F420 HydrophobicContact CG-CD2 4.24Å; R412-F420 HydrophobicContact CG-CE2 4.36Å; F420-T423 WeakPolarHBondContact CE1-OG1 3.41Å; F420-P442 HydrophobicContact CB-CG 4.33Å; F420-P442 HydrophobicContact CD1-CG 4.3Å
421	E	98.7	Very high	97.7	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.192	26%	0.261	C	S	.	.			trans	-69.8	131.9	178	-65.7	-178.1	165.9	0	0	110.4	G409 K411 H413 T423	G409-E421 WeakPolarHBondContact CA-OE2 3.47Å; K411-E421 WeakPolarHBondContact CE-OE1 3.24Å; K411-E421 VanDerWaalsContact CE-OE2 3.23Å; K411-E421 WeakPolarHBondContact CE-OE2 3.46Å; K411-E421 HydrophobicContact CG-CG 4.42Å; K411-E421 WeakPolarHBondContact CG-OE2 3.4Å; K411-E421 WeakPolarHBondContact O-CB 3.32Å; K411-E421 WeakPolarHBondContact O-CG 3.5Å; K411-E421 PolarHBondContact O-N 2.71Å; H413-E421 HydrophobicContact CB-CG 4.05Å; E421-T423 PolarHBondContact O-N 3.5Å; E421-T423 VanDerWaalsContact O-N 3.07Å; E421-T423 PolarHBondContact O-OG1 3.26Å
422	P	98.6	Very high	97.6	Very high	18 Å²	18	46.2 Å²	46.2	12%	0.117	23%	0.234	C	C	.	.			trans	-54.4	119.3	168.7	-27	36.1	0	0	0	110.7	F333 M364 L368 V370 Q380	F333-P422 HydrophobicContact CD1-CB 4.29Å; F333-P422 HydrophobicContact CE1-CB 3.94Å; M364-P422 HydrophobicContact CE-CB 3.88Å; M364-P422 WeakPolarHBondContact CE-O 3.33Å; L368-P422 HydrophobicContact CB-CG 4.13Å; L368-P422 HydrophobicContact CD1-CB 3.44Å; L368-P422 VanDerWaalsContact CD1-CB 3.44Å; L368-P422 HydrophobicContact CD1-CG 3.75Å; V370-P422 HydrophobicContact CG2-CG 4.17Å; Q380-P422 HydrophobicContact CG-CG 3.89Å
423	T	98.7	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.3	-166.3	-60.1	0	0	0	0	110.4	V396 T408 G410 F420 E421 L425 P442 L443 A444	V396-T423 HydrophobicContact CG2-CG2 4.15Å; T408-T423 WeakPolarHBondContact O-CA 3.24Å; G410-T423 WeakPolarHBondContact CA-OG1 3.37Å; G410-T423 PolarHBondContact N-OG1 2.92Å; F420-T423 WeakPolarHBondContact CE1-OG1 3.41Å; E421-T423 PolarHBondContact O-N 3.5Å; E421-T423 VanDerWaalsContact O-N 3.07Å; E421-T423 PolarHBondContact O-OG1 3.26Å; T423-L425 HydrophobicContact CG2-CD2 3.75Å; T423-L425 HydrophobicContact CG2-CG 4.18Å; T423-P442 PolarHBondContact N-O 3.23Å; T423-L443 HydrophobicContact CG2-CD1 3.58Å; T423-L443 WeakPolarHBondContact O-CA 3.03Å; T423-A444 PolarHBondContact O-N 3.35Å
424	L	98.7	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.1	172.2	-178.3	66.5	0	0	0	108.5	V357 F360 A361 M364 V407 T408 A444 V446	V357-L424 HydrophobicContact CG1-CD2 4.32Å; F360-L424 HydrophobicContact CB-CD2 4.36Å; F360-L424 HydrophobicContact CD1-CD1 3.66Å; F360-L424 HydrophobicContact CD1-CD2 4.33Å; F360-L424 HydrophobicContact CE1-CD1 3.87Å; F360-L424 HydrophobicContact CG-CD2 4.47Å; A361-L424 HydrophobicContact CB-CD2 3.91Å; M364-L424 HydrophobicContact CE-CB 4Å; M364-L424 HydrophobicContact SD-CB 3.78Å; M364-L424 HydrophobicContact SD-CD2 4.17Å; M364-L424 HydrophobicContact SD-CG 4.41Å; V407-L424 HydrophobicContact CB-CB 4.26Å; V407-L424 HydrophobicContact CB-CD2 4.13Å; V407-L424 HydrophobicContact CB-CG 4.17Å; V407-L424 WeakPolarHBondContact CB-O 3.34Å; V407-L424 HydrophobicContact CG1-CD2 4.09Å; V407-L424 HydrophobicContact CG2-CD2 4.5Å; V407-L424 HydrophobicContact CG2-CG 4.38Å; V407-L424 PolarHBondContact N-O 2.82Å; T408-L424 HydrophobicContact CG2-CB 4.03Å; T408-L424 PolarHBondContact O-N 3.16Å; T408-L424 VanDerWaalsContact O-N 3.11Å; L424-A444 HydrophobicContact CD1-CB 3.7Å; L424-A444 WeakPolarHBondContact CD1-O 3.27Å; L424-V446 HydrophobicContact CD1-CG2 3.73Å
425	L	98.5	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.4	174.3	-52.4	-176.6	0	0	0	109.2	A399 T405 V406 T423 V428 L443 A444 V446	A399-L425 HydrophobicContact CB-CD1 3.75Å; T405-L425 WeakPolarHBondContact O-CA 3.49Å; V406-L425 HydrophobicContact CB-CD2 4.15Å; V406-L425 HydrophobicContact CG1-CD2 4.38Å; V406-L425 HydrophobicContact CG2-CD2 3.69Å; T423-L425 HydrophobicContact CG2-CD2 3.75Å; T423-L425 HydrophobicContact CG2-CG 4.18Å; L425-V428 HydrophobicContact CB-CG2 3.81Å; L425-L443 HydrophobicContact CD1-CD1 3.83Å; L425-L443 HydrophobicContact CG-CD1 3.82Å; L425-A444 PolarHBondContact N-O 3.12Å; L425-V446 WeakPolarHBondContact O-CB 3.29Å; L425-V446 PolarHBondContact O-N 3.19Å
426	C	97.8	Very high	95.7	Very high	15 Å²	15	35.6 Å²	35.6	10%	0.101	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	173.2	166.8	70.2	0	0	0	0	110.5	V357 T405 V407 V428	V357-C426 HydrophobicContact CG1-CB 4.28Å; T405-C426 PolarHBondContact N-O 2.91Å; T405-C426 PolarHBondContact O-N 3.42Å; V407-C426 HydrophobicContact CG2-CB 3.94Å; V407-C426 VanDerWaalsContact CG2-SG 3.53Å; C426-V428 PolarHBondContact O-N 3.06Å
427	N	97.8	Very high	95.1	Very high	80 Å²	80	37 Å²	37	43%	0.428	19%	0.187	S	C	.	.	S	Bend	trans	57.6	34.5	-172	-54.2	-43.7	0	0	0	112.2	T405	T405-N427 PolarHBondContact OG1-ND2 2.99Å
428	V	98	Very high	94.5	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	17%	0.169	C	C	.	.			trans	-79.7	141	173.4	177.9	0	0	0	0	108.9	A404 L425 C426 M432 T435 P445 V446 I447	A404-V428 HydrophobicContact CB-CG2 4.05Å; L425-V428 HydrophobicContact CB-CG2 3.81Å; C426-V428 PolarHBondContact O-N 3.06Å; V428-M432 HydrophobicContact CB-SD 4.05Å; V428-M432 HydrophobicContact CG1-CB 4.28Å; V428-M432 HydrophobicContact CG1-CG 4.41Å; V428-M432 HydrophobicContact CG1-SD 3.61Å; V428-M432 HydrophobicContact CG2-SD 4.28Å; V428-T435 HydrophobicContact CG1-CG2 3.85Å; V428-P445 HydrophobicContact CB-CB 4.2Å; V428-P445 HydrophobicContact CG1-CB 3.93Å; V428-P445 HydrophobicContact CG2-CB 3.72Å; V428-V446 WeakPolarHBondContact CB-O 3.5Å; V428-V446 PolarHBondContact N-O 3.47Å; V428-V446 VanDerWaalsContact N-O 3.15Å; V428-I447 HydrophobicContact CB-CG1 4.08Å; V428-I447 HydrophobicContact CG1-CG1 3.95Å
429	T	96.5	Very high	93.6	Very high	58 Å²	58	31.8 Å²	31.8	36%	0.356	16%	0.163	S	C	.	.			trans	-113	162.3	175.6	58.5	0	0	0	0	110.7	D431 M432 T435	T429-D431 WeakPolarHBondContact CB-OD1 3.31Å; T429-D431 PolarHBondContact O-N 3.08Å; T429-D431 PolarHBondContact OG1-OD1 2.9Å; T429-M432 HydrophobicContact CG2-CE 4.35Å; T429-M432 PolarHBondContact O-N 3.5Å; T429-M432 WeakPolarHBondContact OG1-CE 3.24Å; T429-T435 WeakPolarHBondContact O-CG2 3.23Å
430	Q	94.1	Very high	93.3	Very high	87 Å²	87	34 Å²	34	41%	0.407	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.5	-176.9	-167.6	178.2	-1.1	0	0	113.3	M432 T435 H436 A461	Q430-M432 VanDerWaalsContact C-N 3.35Å; Q430-T435 PolarHBondContact O-OG1 3.14Å; Q430-H436 PolarHBondContact O-CE1 3.23Å; Q430-H436 PolarHBondContact O-ND1 3.06Å; Q430-A461 VanDerWaalsContact NE2-CB 3.33Å
431	D	94.2	Very high	93.2	Very high	96 Å²	96	33.8 Å²	33.8	51%	0.513	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.6	-179.6	65	-73.3	0	0	0	114.9	K402 T429	K402-D431 PolarHBondContact NZ-O 2.88Å; T429-D431 WeakPolarHBondContact CB-OD1 3.31Å; T429-D431 PolarHBondContact O-N 3.08Å; T429-D431 PolarHBondContact OG1-OD1 2.9Å
432	M	96.4	Very high	93.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	-78.1	151.6	-178.5	-63.3	-177.8	-179.3	0	0	112	A399 K402 A404 V428 T429 Q430 C434 T435 H436	A399-M432 HydrophobicContact CB-CB 4.45Å; A399-M432 HydrophobicContact CB-SD 3.76Å; K402-M432 HydrophobicContact CB-CE 3.88Å; K402-M432 HydrophobicContact CB-CG 4.24Å; K402-M432 HydrophobicContact CD-CG 4.1Å; A404-M432 HydrophobicContact CB-CE 3.92Å; A404-M432 HydrophobicContact CB-SD 3.87Å; V428-M432 HydrophobicContact CB-SD 4.05Å; V428-M432 HydrophobicContact CG1-CB 4.28Å; V428-M432 HydrophobicContact CG1-CG 4.41Å; V428-M432 HydrophobicContact CG1-SD 3.61Å; V428-M432 HydrophobicContact CG2-SD 4.28Å; T429-M432 HydrophobicContact CG2-CE 4.35Å; T429-M432 PolarHBondContact O-N 3.5Å; T429-M432 WeakPolarHBondContact OG1-CE 3.24Å; Q430-M432 VanDerWaalsContact C-N 3.35Å; M432-C434 VanDerWaalsContact C-N 3.27Å; M432-C434 PolarHBondContact O-N 3Å; M432-T435 PolarHBondContact O-N 2.99Å; M432-T435 VanDerWaalsContact O-N 3.1Å; M432-T435 PolarHBondContact O-OG1 3.35Å; M432-H436 PolarHBondContact O-ND1 2.94Å
433	L	89.9	Confident	93.1	Very high	39 Å²	39	31 Å²	31	20%	0.204	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.8	-33	-175	-75.3	179.4	0	0	0	113.6	D398 T435 H436 E437	D398-L433 HydrophobicContact CB-CB 4.22Å; D398-L433 HydrophobicContact CB-CD1 3.74Å; D398-L433 HydrophobicContact CB-CG 4.06Å; D398-L433 VanDerWaalsContact CG-CG 3.45Å; D398-L433 WeakPolarHBondContact OD2-CB 3.43Å; D398-L433 WeakPolarHBondContact OD2-CG 3.48Å; D398-L433 PolarHBondContact OD2-N 2.94Å; L433-T435 PolarHBondContact O-N 2.79Å; L433-T435 VanDerWaalsContact O-N 3.15Å; L433-H436 PolarHBondContact O-N 2.88Å; L433-H436 VanDerWaalsContact O-N 3.13Å; L433-E437 PolarHBondContact O-N 2.86Å
434	C	89.5	Confident	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64.6	-14.7	178.5	59.5	0	0	0	0	113.7	Q395 M432 L443 P445	Q395-C434 HydrophobicContact CB-CB 4.34Å; M432-C434 VanDerWaalsContact C-N 3.27Å; M432-C434 PolarHBondContact O-N 3Å; C434-L443 HydrophobicContact CB-CD2 4.37Å; C434-P445 HydrophobicContact CB-CB 4.43Å; C434-P445 HydrophobicContact CB-CG 4.14Å
435	T	86.8	Confident	93	Very high	9 Å²	9	31 Å²	31	6%	0.055	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-97	-4	177.4	65.9	0	0	0	0	113.6	Q345 V428 T429 Q430 M432 L433 I447	Q345-T435 HydrophobicContact CG-CG2 4.34Å; Q345-T435 PolarHBondContact NE2-O 3.18Å; V428-T435 HydrophobicContact CG1-CG2 3.85Å; T429-T435 WeakPolarHBondContact O-CG2 3.23Å; Q430-T435 PolarHBondContact O-OG1 3.14Å; M432-T435 PolarHBondContact O-N 2.99Å; M432-T435 VanDerWaalsContact O-N 3.1Å; M432-T435 PolarHBondContact O-OG1 3.35Å; L433-T435 PolarHBondContact O-N 2.79Å; L433-T435 VanDerWaalsContact O-N 3.15Å; T435-I447 HydrophobicContact CG2-CD1 3.68Å; T435-I447 HydrophobicContact CG2-CG1 4.48Å
436	H	86.4	Confident	93	Very high	115 Å²	115	31 Å²	31	53%	0.532	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-30.1	-179.7	-64.2	91.4	0	0	0	113.2	Q430 M432 L433	Q430-H436 PolarHBondContact O-CE1 3.23Å; Q430-H436 PolarHBondContact O-ND1 3.06Å; M432-H436 PolarHBondContact O-ND1 2.94Å; L433-H436 PolarHBondContact O-N 2.88Å; L433-H436 VanDerWaalsContact O-N 3.13Å
437	E	84.1	Confident	93.1	Very high	60 Å²	60	30.7 Å²	30.7	28%	0.28	16%	0.155	S	C	.	.	S	Bend	trans	-105.4	135.5	-178.6	-61	-177.5	-176.5	0	0	110.8	K394 L433 T439	K394-E437 IonicContact NZ-OE1 2.89Å; L433-E437 PolarHBondContact O-N 2.86Å; E437-T439 PolarHBondContact O-N 2.94Å; E437-T439 PolarHBondContact O-OG1 2.84Å
438	E	83.3	Confident	93.1	Very high	29 Å²	29	30.8 Å²	30.8	14%	0.136	15%	0.151	C	C	.	.			trans	-60.5	120.7	175.7	179.6	174.3	-139.3	0	0	111.4	G308 G309 K391 F440	G308-E438 VanDerWaalsContact CA-CD 3.49Å; G308-E438 VanDerWaalsContact CA-OE1 3.24Å; G308-E438 WeakPolarHBondContact CA-OE1 3.49Å; G308-E438 WeakPolarHBondContact CA-OE2 3.48Å; G309-E438 PolarHBondContact N-OE1 3.35Å; G309-E438 WeakPolarHBondContact O-CG 3.31Å; K391-E438 WeakPolarHBondContact CE-O 3.25Å; K391-E438 PolarHBondContact NZ-O 3.47Å; E438-F440 HydrophobicContact CG-CD2 3.97Å; E438-F440 HydrophobicContact CG-CE2 3.72Å; E438-F440 HydrophobicContact CG-CZ 4.22Å; E438-F440 WeakPolarHBondContact OE1-CE2 3.46Å; E438-F440 VanDerWaalsContact OE1-CZ 3.28Å; E438-F440 WeakPolarHBondContact OE1-CZ 3.5Å; E438-F440 WeakPolarHBondContact OE2-CE2 3.45Å
439	T	79.8	Confident	93.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.15	C	C	.	.			trans	-102.9	90.4	-175	-57.5	0	0	0	0	110.7	N344 Q395 E437 G441 L443	N344-T439 PolarHBondContact OD1-O 2.97Å; N344-T439 VanDerWaalsContact OD1-O 3.04Å; Q395-T439 PolarHBondContact NE2-OG1 2.87Å; Q395-T439 PolarHBondContact OE1-OG1 2.88Å; E437-T439 PolarHBondContact O-N 2.94Å; E437-T439 PolarHBondContact O-OG1 2.84Å; T439-G441 VanDerWaalsContact C-N 3.33Å; T439-G441 PolarHBondContact O-N 3Å; T439-L443 HydrophobicContact CG2-CB 3.99Å; T439-L443 HydrophobicContact CG2-CD2 4.16Å; T439-L443 HydrophobicContact CG2-CG 4.47Å
440	F	92.3	Very high	93.2	Very high	55 Å²	55	30.7 Å²	30.7	24%	0.241	15%	0.148	C	C	.	.			trans	-78.6	83.5	167.4	-73.2	-69.7	0	0	0	110.2	G337 Q338 T339 E438	G337-F440 WeakPolarHBondContact O-CA 3.11Å; Q338-F440 VanDerWaalsContact C-CD1 3.46Å; Q338-F440 HydrophobicContact CB-CD1 4.5Å; Q338-F440 HydrophobicContact CG-CB 4.46Å; T339-F440 WeakPolarHBondContact O-CE1 3.28Å; E438-F440 HydrophobicContact CG-CD2 3.97Å; E438-F440 HydrophobicContact CG-CE2 3.72Å; E438-F440 HydrophobicContact CG-CZ 4.22Å; E438-F440 WeakPolarHBondContact OE1-CE2 3.46Å; E438-F440 VanDerWaalsContact OE1-CZ 3.28Å; E438-F440 WeakPolarHBondContact OE1-CZ 3.5Å; E438-F440 WeakPolarHBondContact OE2-CE2 3.45Å
441	G	96.5	Very high	93.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	178.6	171.5	178.2	0	0	0	0	0	113.1	K332 T336 G337 T439 L443	K332-G441 WeakPolarHBondContact CE-O 3.11Å; K332-G441 PolarHBondContact NZ-O 2.9Å; T336-G441 CarbonylContact O-C 3.6Å; T336-G441 WeakPolarHBondContact O-CA 3.45Å; G337-G441 PolarHBondContact O-N 3.31Å; T439-G441 VanDerWaalsContact C-N 3.33Å; T439-G441 PolarHBondContact O-N 3Å; G441-L443 PolarHBondContact O-N 3.46Å
442	P	97.7	Very high	93.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-84.3	54.1	-170.3	37.5	-36.8	0	0	0	110.7	F333 T336 F420 T423	F333-P442 HydrophobicContact CD1-CB 4.05Å; F333-P442 HydrophobicContact CE1-CB 4.25Å; T336-P442 HydrophobicContact CG2-CB 3.86Å; T336-P442 HydrophobicContact CG2-CG 3.72Å; T336-P442 WeakPolarHBondContact O-CD 3.3Å; F420-P442 HydrophobicContact CB-CG 4.33Å; F420-P442 HydrophobicContact CD1-CG 4.3Å; T423-P442 PolarHBondContact N-O 3.23Å
443	L	98.3	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.7	-177.6	174.5	59.2	0	0	0	110.8	K332 V392 Q395 V396 T423 L425 C434 T439 G441 P445	K332-L443 WeakPolarHBondContact CE-O 3.41Å; K332-L443 PolarHBondContact NZ-O 3.06Å; V392-L443 HydrophobicContact CG1-CB 4.33Å; Q395-L443 HydrophobicContact CB-CD2 3.91Å; V396-L443 HydrophobicContact CG2-CD1 3.83Å; V396-L443 HydrophobicContact CG2-CD2 3.94Å; V396-L443 HydrophobicContact CG2-CG 4.48Å; T423-L443 HydrophobicContact CG2-CD1 3.58Å; T423-L443 WeakPolarHBondContact O-CA 3.03Å; L425-L443 HydrophobicContact CD1-CD1 3.83Å; L425-L443 HydrophobicContact CG-CD1 3.82Å; C434-L443 HydrophobicContact CB-CD2 4.37Å; T439-L443 HydrophobicContact CG2-CB 3.99Å; T439-L443 HydrophobicContact CG2-CD2 4.16Å; T439-L443 HydrophobicContact CG2-CG 4.47Å; G441-L443 PolarHBondContact O-N 3.46Å; L443-P445 WeakPolarHBondContact O-CD 3.35Å
444	A	98	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	98	177.1	0	0	0	0	0	110.6	K332 F333 F346 F360 T423 L424 L425	K332-A444 HydrophobicContact CD-CB 4.49Å; K332-A444 HydrophobicContact CG-CB 4.23Å; F333-A444 HydrophobicContact CZ-CB 4.42Å; F346-A444 HydrophobicContact CD2-CB 3.96Å; F346-A444 HydrophobicContact CE2-CB 3.61Å; F360-A444 HydrophobicContact CE1-CB 4.01Å; F360-A444 HydrophobicContact CZ-CB 4.34Å; T423-A444 PolarHBondContact O-N 3.35Å; L424-A444 HydrophobicContact CD1-CB 3.7Å; L424-A444 WeakPolarHBondContact CD1-O 3.27Å; L425-A444 PolarHBondContact N-O 3.12Å
445	P	97.9	Very high	94.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.9	169.8	30.7	-30.9	0	0	0	111.5	N344 F346 V428 C434 L443	N344-P445 WeakPolarHBondContact O-CD 3.26Å; N344-P445 WeakPolarHBondContact O-CG 2.99Å; F346-P445 PolarHBondContact N-O 3.22Å; V428-P445 HydrophobicContact CB-CB 4.2Å; V428-P445 HydrophobicContact CG1-CB 3.93Å; V428-P445 HydrophobicContact CG2-CB 3.72Å; C434-P445 HydrophobicContact CB-CB 4.43Å; C434-P445 HydrophobicContact CB-CG 4.14Å; L443-P445 WeakPolarHBondContact O-CD 3.35Å
446	V	98.5	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.1	179.2	-175.2	0	0	0	0	110.8	F346 V348 V357 L424 L425 V428	F346-V446 HydrophobicContact CB-CB 4.44Å; F346-V446 HydrophobicContact CB-CG1 4.48Å; F346-V446 HydrophobicContact CB-CG2 4.02Å; F346-V446 CarbonylContact O-C 3.6Å; F346-V446 WeakPolarHBondContact O-CA 3.45Å; V348-V446 HydrophobicContact CB-CG1 4.16Å; V348-V446 HydrophobicContact CG2-CG1 3.72Å; V357-V446 HydrophobicContact CG2-CB 4.49Å; V357-V446 HydrophobicContact CG2-CG1 4Å; V357-V446 HydrophobicContact CG2-CG2 4.4Å; L424-V446 HydrophobicContact CD1-CG2 3.73Å; L425-V446 WeakPolarHBondContact O-CB 3.29Å; L425-V446 PolarHBondContact O-N 3.19Å; V428-V446 WeakPolarHBondContact CB-O 3.5Å; V428-V446 PolarHBondContact N-O 3.47Å; V428-V446 VanDerWaalsContact N-O 3.15Å
447	I	98.2	Very high	95.7	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131	174.6	-51.4	175	0	0	0	108	F346 L347 V348 V428 T435	F346-I447 PolarHBondContact O-N 3.16Å; L347-I447 WeakPolarHBondContact CA-O 3.31Å; L347-I447 HydrophobicContact CD2-CB 3.79Å; L347-I447 HydrophobicContact CD2-CD1 3.92Å; L347-I447 HydrophobicContact CD2-CG1 4.3Å; L347-I447 HydrophobicContact CD2-CG2 4.24Å; V348-I447 PolarHBondContact N-O 3.45Å; V428-I447 HydrophobicContact CB-CG1 4.08Å; V428-I447 HydrophobicContact CG1-CG1 3.95Å; T435-I447 HydrophobicContact CG2-CD1 3.68Å; T435-I447 HydrophobicContact CG2-CG1 4.48Å
448	K	98.4	Very high	96.3	Very high	82 Å²	82	31.8 Å²	31.8	36%	0.357	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.5	176.1	-171.8	178.6	-66.6	176.4	0	109.8	V348 R350 H353	V348-K448 WeakPolarHBondContact O-CA 3.46Å; R350-K448 HydrophobicContact CB-CD 4.48Å; R350-K448 HydrophobicContact CB-CG 4.47Å; H353-K448 WeakPolarHBondContact CD2-CE 3.42Å; H353-K448 VanDerWaalsContact CE1-CE 3.49Å; H353-K448 WeakPolarHBondContact CE1-CE 3.45Å; H353-K448 WeakPolarHBondContact ND1-CE 3.25Å; H353-K448 WeakPolarHBondContact NE2-CE 3.35Å
449	F	98.7	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	165.1	172.7	72.9	-95.8	0	0	0	111	I314 F316 L347 V348 Q349 R350 T451 E454 A455	I314-F449 HydrophobicContact CG2-CE1 3.78Å; I314-F449 HydrophobicContact CG2-CZ 3.82Å; F316-F449 HydrophobicContact CD1-CE2 4.15Å; F316-F449 AromaticContact CD1-CZ 3.87Å; F316-F449 HydrophobicContact CD1-CZ 3.87Å; F316-F449 HydrophobicContact CE1-CE2 4.18Å; F316-F449 AromaticContact CE1-CZ 3.99Å; F316-F449 HydrophobicContact CE1-CZ 3.99Å; L347-F449 VanDerWaalsContact C-CE1 3.42Å; L347-F449 HydrophobicContact CB-CD1 3.77Å; L347-F449 HydrophobicContact CB-CE1 3.91Å; L347-F449 WeakPolarHBondContact O-CE1 3.4Å; V348-F449 VanDerWaalsContact C-CE1 3.42Å; V348-F449 PolarHBondContact O-N 3.28Å; Q349-F449 CarbonylContact C-O 3.56Å; Q349-F449 WeakPolarHBondContact CA-O 3.47Å; Q349-F449 HydrophobicContact CB-CD2 4.27Å; Q349-F449 HydrophobicContact CB-CE1 4.04Å; Q349-F449 HydrophobicContact CB-CE2 3.58Å; Q349-F449 HydrophobicContact CB-CZ 3.46Å; Q349-F449 VanDerWaalsContact CB-CZ 3.46Å; Q349-F449 HydrophobicContact CG-CD2 4.06Å; Q349-F449 HydrophobicContact CG-CE2 3.52Å; Q349-F449 HydrophobicContact CG-CZ 3.98Å; Q349-F449 VanDerWaalsContact N-CE1 3.26Å; R350-F449 PolarHBondContact N-O 2.96Å; F449-T451 WeakPolarHBondContact CD2-O 3.12Å; F449-E454 HydrophobicContact CB-CG 4.27Å; F449-A455 HydrophobicContact CD1-CB 3.99Å; F449-A455 HydrophobicContact CD2-CB 3.71Å; F449-A455 HydrophobicContact CE1-CB 3.92Å; F449-A455 HydrophobicContact CE2-CB 3.66Å; F449-A455 HydrophobicContact CG-CB 3.87Å; F449-A455 HydrophobicContact CZ-CB 3.74Å
450	D	98.7	Very high	97.6	Very high	61 Å²	61	32.3 Å²	32.3	33%	0.326	17%	0.17	S	C	.	.	S	Bend	trans	-108	-44	-176.7	-67.3	-11.5	0	0	0	112.9	Q349 R350 E454	Q349-D450 PolarHBondContact NE2-O 3.42Å; R350-D450 IonicContact CZ-OD1 3.07Å; R350-D450 IonicContact CZ-OD2 3.38Å; R350-D450 IonicContact NE-OD1 2.75Å; R350-D450 PolarHBondContact NE-OD1 3.01Å; R350-D450 IonicContact NH1-OD1 3.04Å; R350-D450 PolarHBondContact NH1-OD1 3.31Å; R350-D450 VanDerWaalsContact NH1-OD1 3.08Å; R350-D450 IonicContact NH1-OD2 3.64Å; R350-D450 PolarHBondContact NH1-OD2 2.98Å; R350-D450 IonicContact NH2-OD1 3.96Å; R350-D450 PolarHBondContact NH2-OD1 3.33Å; R350-D450 IonicContact NH2-OD2 2.71Å; R350-D450 PolarHBondContact NH2-OD2 3.44Å; D450-E454 PolarHBondContact N-OE2 2.97Å
451	T	98.8	Very high	97.7	Very high	68 Å²	68	32.5 Å²	32.5	42%	0.417	18%	0.182	S	C	.	.	S	Bend	trans	-119.3	157.1	-173.4	74.7	0	0	0	0	112.8	F449 E453 E454 A455	F449-T451 WeakPolarHBondContact CD2-O 3.12Å; T451-E453 VanDerWaalsContact C-N 3.29Å; T451-E453 PolarHBondContact O-N 3.46Å; T451-E454 PolarHBondContact O-N 3.36Å; T451-E454 WeakPolarHBondContact OG1-CB 3.26Å; T451-E454 PolarHBondContact OG1-N 2.81Å; T451-E454 VanDerWaalsContact OG1-N 3.11Å; T451-A455 PolarHBondContact O-N 3.27Å
452	E	98.8	Very high	97.2	Very high	35 Å²	35	33.4 Å²	33.4	16%	0.164	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-41.5	173.6	-179.8	-178.8	127.4	0	0	111.9	F316 E454 A455 I456 Q477 R480 V481	F316-E452 HydrophobicContact CE1-CB 4.12Å; F316-E452 HydrophobicContact CE1-CG 4Å; F316-E452 HydrophobicContact CZ-CG 4.26Å; E452-E454 PolarHBondContact O-N 2.95Å; E452-A455 PolarHBondContact O-N 3.03Å; E452-I456 HydrophobicContact CG-CD1 3.99Å; E452-I456 WeakPolarHBondContact O-CG1 3.5Å; E452-I456 PolarHBondContact O-N 3.47Å; E452-Q477 VanDerWaalsContact OE2-CG 3.27Å; E452-Q477 WeakPolarHBondContact OE2-CG 3.37Å; E452-Q477 PolarHBondContact OE2-NE2 3.4Å; E452-R480 IonicContact OE1-CZ 3.08Å; E452-R480 IonicContact OE1-NE 2.69Å; E452-R480 PolarHBondContact OE1-NE 3.15Å; E452-R480 IonicContact OE1-NH2 3.73Å; E452-R480 PolarHBondContact OE1-NH2 3.04Å; E452-R480 IonicContact OE2-CZ 2.81Å; E452-R480 IonicContact OE2-NE 3.21Å; E452-R480 IonicContact OE2-NH2 2.75Å; E452-R480 PolarHBondContact OE2-NH2 3.21Å; E452-V481 HydrophobicContact CG-CG2 4.03Å
453	E	98.7	Very high	96.8	Very high	161 Å²	161	38.6 Å²	38.6	75%	0.752	22%	0.217	S	C	*	.	H	α-helix	trans	-60.6	-44.4	177.4	-176.1	179.4	-175.1	0	0	111.8	T451 I456 A457	T451-E453 VanDerWaalsContact C-N 3.29Å; T451-E453 PolarHBondContact O-N 3.46Å; E453-I456 PolarHBondContact O-N 2.98Å; E453-A457 WeakPolarHBondContact O-CB 3.26Å; E453-A457 PolarHBondContact O-N 2.88Å
454	E	98.4	Very high	96.3	Very high	73 Å²	73	40 Å²	40	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-45.5	176.3	-177.6	-173.9	-172.2	0	0	111.4	F449 D450 T451 E452 I456 A457 I458	F449-E454 HydrophobicContact CB-CG 4.27Å; D450-E454 PolarHBondContact N-OE2 2.97Å; T451-E454 PolarHBondContact O-N 3.36Å; T451-E454 WeakPolarHBondContact OG1-CB 3.26Å; T451-E454 PolarHBondContact OG1-N 2.81Å; T451-E454 VanDerWaalsContact OG1-N 3.11Å; E452-E454 PolarHBondContact O-N 2.95Å; E454-I456 VanDerWaalsContact C-N 3.34Å; E454-I456 PolarHBondContact O-N 2.96Å; E454-A457 PolarHBondContact O-N 3.49Å; E454-I458 HydrophobicContact CG-CD1 3.88Å; E454-I458 HydrophobicContact CG-CG1 4.49Å; E454-I458 VanDerWaalsContact O-CG1 3.31Å; E454-I458 WeakPolarHBondContact O-CG1 3.4Å; E454-I458 PolarHBondContact O-N 2.8Å
455	A	98.3	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-43.8	178.4	0	0	0	0	0	112.2	I314 F316 L347 F449 T451 E452 A459	I314-A455 HydrophobicContact CG2-CB 3.99Å; F316-A455 HydrophobicContact CE1-CB 4.44Å; L347-A455 VanDerWaalsContact CD1-O 3.31Å; L347-A455 WeakPolarHBondContact CD1-O 3.5Å; F449-A455 HydrophobicContact CD1-CB 3.99Å; F449-A455 HydrophobicContact CD2-CB 3.71Å; F449-A455 HydrophobicContact CE1-CB 3.92Å; F449-A455 HydrophobicContact CE2-CB 3.66Å; F449-A455 HydrophobicContact CG-CB 3.87Å; F449-A455 HydrophobicContact CZ-CB 3.74Å; T451-A455 PolarHBondContact O-N 3.27Å; E452-A455 PolarHBondContact O-N 3.03Å; A455-A459 VanDerWaalsContact O-CB 3.24Å; A455-A459 WeakPolarHBondContact O-CB 3.17Å; A455-A459 PolarHBondContact O-N 3.12Å
456	I	98.2	Very high	95.9	Very high	13 Å²	13	40 Å²	40	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-43.9	176.7	-67.5	169.4	0	0	0	110.3	E452 E453 E454 I458 A459 N460 V481 Q484	E452-I456 HydrophobicContact CG-CD1 3.99Å; E452-I456 WeakPolarHBondContact O-CG1 3.5Å; E452-I456 PolarHBondContact O-N 3.47Å; E453-I456 PolarHBondContact O-N 2.98Å; E454-I456 VanDerWaalsContact C-N 3.34Å; E454-I456 PolarHBondContact O-N 2.96Å; I456-I458 PolarHBondContact O-N 2.8Å; I456-A459 PolarHBondContact O-N 2.97Å; I456-N460 WeakPolarHBondContact CG2-ND2 3.47Å; I456-N460 WeakPolarHBondContact O-CB 3.39Å; I456-N460 PolarHBondContact O-N 3.38Å; I456-V481 HydrophobicContact CD1-CG2 4.24Å; I456-Q484 HydrophobicContact CD1-CB 4.16Å; I456-Q484 HydrophobicContact CG2-CB 4.17Å
457	A	97.7	Very high	95.9	Very high	62 Å²	62	40 Å²	40	51%	0.512	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-45	179.1	0	0	0	0	0	112	E453 E454 A461	E453-A457 WeakPolarHBondContact O-CB 3.26Å; E453-A457 PolarHBondContact O-N 2.88Å; E454-A457 PolarHBondContact O-N 3.49Å; A457-A461 WeakPolarHBondContact O-CB 3.46Å; A457-A461 PolarHBondContact O-N 2.93Å; A457-A461 VanDerWaalsContact O-N 3.11Å
458	I	96	Very high	95.9	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-45.8	176.1	-63.6	167.3	0	0	0	110.4	L347 E454 I456 N460 A461	L347-I458 HydrophobicContact CD1-CB 4.09Å; L347-I458 HydrophobicContact CD1-CG2 4.02Å; L347-I458 HydrophobicContact CD2-CB 4.49Å; L347-I458 HydrophobicContact CD2-CG2 3.74Å; E454-I458 HydrophobicContact CG-CD1 3.88Å; E454-I458 HydrophobicContact CG-CG1 4.49Å; E454-I458 VanDerWaalsContact O-CG1 3.31Å; E454-I458 WeakPolarHBondContact O-CG1 3.4Å; E454-I458 PolarHBondContact O-N 2.8Å; I456-I458 PolarHBondContact O-N 2.8Å; I458-N460 VanDerWaalsContact C-N 3.33Å; I458-N460 PolarHBondContact O-N 3.23Å; I458-A461 WeakPolarHBondContact O-CB 3.31Å; I458-A461 PolarHBondContact O-N 2.88Å
459	A	96.2	Very high	95.9	Very high	12 Å²	12	35.8 Å²	35.8	10%	0.099	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-39.8	-180	0	0	0	0	0	112.9	P312 I314 L347 A455 I456 L485	P312-A459 HydrophobicContact CB-CB 3.81Å; P312-A459 HydrophobicContact CG-CB 3.92Å; I314-A459 HydrophobicContact CD1-CB 4.12Å; L347-A459 HydrophobicContact CD1-CB 4.05Å; A455-A459 VanDerWaalsContact O-CB 3.24Å; A455-A459 WeakPolarHBondContact O-CB 3.17Å; A455-A459 PolarHBondContact O-N 3.12Å; I456-A459 PolarHBondContact O-N 2.97Å; A459-L485 HydrophobicContact CB-CD2 3.56Å
460	N	96.2	Very high	95.9	Very high	29 Å²	29	35.8 Å²	35.8	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-84.7	-9	-178.2	-72.6	-15.1	0	0	0	113.9	I456 I458 A462 Q484 E486 K508	I456-N460 WeakPolarHBondContact CG2-ND2 3.47Å; I456-N460 WeakPolarHBondContact O-CB 3.39Å; I456-N460 PolarHBondContact O-N 3.38Å; I458-N460 VanDerWaalsContact C-N 3.33Å; I458-N460 PolarHBondContact O-N 3.23Å; N460-A462 PolarHBondContact O-N 3.25Å; N460-Q484 PolarHBondContact ND2-O 3.01Å; N460-E486 PolarHBondContact OD1-N 3.04Å; N460-K508 PolarHBondContact O-NZ 2.85Å
461	A	92.7	Very high	95.9	Very high	58 Å²	58	33.1 Å²	33.1	48%	0.479	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	-178.5	0	0	0	0	0	113.6	Q430 A457 I458	Q430-A461 VanDerWaalsContact NE2-CB 3.33Å; A457-A461 WeakPolarHBondContact O-CB 3.46Å; A457-A461 PolarHBondContact O-N 2.93Å; A457-A461 VanDerWaalsContact O-N 3.11Å; I458-A461 WeakPolarHBondContact O-CB 3.31Å; I458-A461 PolarHBondContact O-N 2.88Å
462	A	87.5	Confident	95.9	Very high	20 Å²	20	29.9 Å²	29.9	17%	0.165	17%	0.172	C	C	.	.	S	Bend	trans	-75.4	139.5	177.4	0	0	0	0	0	111.9	L310 N460 V464 K508	L310-A462 HydrophobicContact CD1-CB 4.19Å; N460-A462 PolarHBondContact O-N 3.25Å; A462-V464 HydrophobicContact CB-CG2 3.78Å; A462-V464 PolarHBondContact O-N 3.23Å; A462-V464 VanDerWaalsContact O-N 3.12Å; A462-K508 PolarHBondContact O-NZ 2.81Å
463	D	89.1	Confident	95.9	Very high	109 Å²	109	34 Å²	34	58%	0.583	19%	0.192	S	C	*	.	S	Bend	trans	-68.8	-3.4	171.7	-89	-14.1	0	0	0	113.8	K508 Q509	D463-K508 VanDerWaalsContact O-CB 3.27Å; D463-K508 WeakPolarHBondContact O-CB 3.48Å; D463-Q509 WeakPolarHBondContact O-CB 3.5Å; D463-Q509 PolarHBondContact O-N 2.96Å; D463-Q509 VanDerWaalsContact O-N 3.16Å; D463-Q509 PolarHBondContact OD2-NE2 3.29Å; D463-Q509 VanDerWaalsContact OD2-NE2 3.14Å
464	V	88.1	Confident	95.9	Very high	29 Å²	29	29.2 Å²	29.2	18%	0.176	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.3	179.4	-70.6	0	0	0	0	109.4	L310 A462 Q509 S510	L310-V464 HydrophobicContact CB-CG2 3.88Å; L310-V464 HydrophobicContact CD1-CG2 4.14Å; L310-V464 HydrophobicContact CG-CG2 3.96Å; A462-V464 HydrophobicContact CB-CG2 3.78Å; A462-V464 PolarHBondContact O-N 3.23Å; A462-V464 VanDerWaalsContact O-N 3.12Å; V464-Q509 HydrophobicContact CG1-CB 4.49Å; V464-S510 WeakPolarHBondContact CA-OG 3.27Å; V464-S510 VanDerWaalsContact CB-OG 3.28Å; V464-S510 WeakPolarHBondContact CB-OG 3.45Å
465	G	91.7	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	75.1	-177	0	0	0	0	0	111.4	E486 G488 G506 V507 S510	G465-E486 WeakPolarHBondContact CA-O 3.37Å; G465-G488 PolarHBondContact O-N 3.49Å; G465-G488 VanDerWaalsContact O-N 3.16Å; G465-G506 CarbonylContact O-C 3.44Å; G465-G506 WeakPolarHBondContact O-CA 3.5Å; G465-V507 WeakPolarHBondContact O-CG2 3.42Å; G465-V507 PolarHBondContact O-N 2.82Å; G465-S510 PolarHBondContact N-OG 2.93Å
466	L	95.6	Very high	95.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	-95.5	-76	-178.2	-173.7	59.4	0	0	0	112	E306 C340 V341 G488 M489	E306-L466 HydrophobicContact CG-CD1 4.12Å; E306-L466 HydrophobicContact CG-CD2 4.33Å; C340-L466 HydrophobicContact CB-CD2 3.62Å; V341-L466 HydrophobicContact CG1-CD2 4.23Å; V341-L466 HydrophobicContact CG1-CG 4.37Å; L466-G488 WeakPolarHBondContact O-CA 3.37Å; L466-G488 PolarHBondContact O-N 3.49Å; L466-M489 HydrophobicContact CD1-CE 3.6Å; L466-M489 HydrophobicContact CG-CE 3.71Å; L466-M489 VanDerWaalsContact O-CE 3.3Å; L466-M489 WeakPolarHBondContact O-CE 3.44Å; L466-M489 PolarHBondContact O-N 3.32Å; L466-M489 VanDerWaalsContact O-N 3.09Å
467	A	97.2	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.5	175.1	0	0	0	0	0	110	A311 P312 V341 Y469 M489	A311-A467 WeakPolarHBondContact CA-O 3.45Å; A311-A467 HydrophobicContact CB-CB 4.25Å; A311-A467 VanDerWaalsContact CB-O 3.27Å; A311-A467 WeakPolarHBondContact CB-O 3.46Å; P312-A467 WeakPolarHBondContact CD-O 3.24Å; V341-A467 HydrophobicContact CB-CB 3.93Å; V341-A467 HydrophobicContact CG1-CB 3.75Å; A467-Y469 HydrophobicContact CB-CE2 4.03Å; A467-M489 CarbonylContact C-O 3.45Å; A467-M489 WeakPolarHBondContact CA-O 3.3Å; A467-M489 HydrophobicContact CB-CE 4.1Å
468	G	97.8	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.5	167.3	0	0	0	0	0	109.9	M489 V490 G491	G468-M489 PolarHBondContact N-O 2.88Å; G468-V490 CarbonylContact O-C 3.59Å; G468-V490 VanDerWaalsContact O-CA 3.28Å; G468-V490 WeakPolarHBondContact O-CA 3.45Å; G468-G491 PolarHBondContact O-N 3.25Å
469	Y	98.6	Very high	96.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.8	-179.1	-55.9	-86.9	0	0	0	108.9	A311 P312 F313 I314 V341 A467 G491 E494 G495 I497	A311-Y469 HydrophobicContact CB-CD2 4.36Å; A311-Y469 HydrophobicContact CB-CE2 4.02Å; P312-Y469 PolarHBondContact O-N 2.98Å; F313-Y469 CarbonylContact C-O 3.47Å; F313-Y469 WeakPolarHBondContact CA-O 3.3Å; F313-Y469 VanDerWaalsContact CD2-CB 3.47Å; F313-Y469 HydrophobicContact CD2-CD2 4.25Å; F313-Y469 AromaticContact CD2-CG 3.96Å; F313-Y469 HydrophobicContact CD2-CG 3.96Å; F313-Y469 HydrophobicContact CE2-CG 4.46Å; I314-Y469 PolarHBondContact N-O 2.88Å; V341-Y469 WeakPolarHBondContact O-CE2 3.28Å; V341-Y469 PolarHBondContact O-OH 3.21Å; V341-Y469 VanDerWaalsContact O-OH 3.06Å; A467-Y469 HydrophobicContact CB-CE2 4.03Å; Y469-G491 CarbonylContact C-O 3.45Å; Y469-G491 WeakPolarHBondContact CA-O 3.26Å; Y469-E494 WeakPolarHBondContact CD1-O 3.44Å; Y469-G495 WeakPolarHBondContact CE1-O 3.42Å; Y469-I497 HydrophobicContact CE1-CD1 4.15Å; Y469-I497 HydrophobicContact CE1-CG1 4.23Å; Y469-I497 HydrophobicContact CE1-CG2 4.14Å
470	F	98.8	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153.9	165.8	72.4	-89.5	0	0	0	113.1	I314 F316 I478 V481 A482 L485 V490 G491 V492 N493	I314-F470 HydrophobicContact CB-CB 3.77Å; I314-F470 HydrophobicContact CG1-CB 4.44Å; I314-F470 CarbonylContact O-C 3.53Å; I314-F470 WeakPolarHBondContact O-CA 3.44Å; I314-F470 WeakPolarHBondContact O-CB 3.42Å; F316-F470 HydrophobicContact CD2-CD2 4.29Å; F316-F470 HydrophobicContact CE2-CB 4.13Å; F316-F470 AromaticContact CE2-CD2 3.98Å; F316-F470 HydrophobicContact CE2-CD2 3.98Å; F316-F470 HydrophobicContact CE2-CG 4.3Å; F470-I478 HydrophobicContact CE2-CB 4.23Å; F470-I478 HydrophobicContact CE2-CG1 3.88Å; F470-I478 HydrophobicContact CZ-CB 4.31Å; F470-I478 HydrophobicContact CZ-CG1 4.4Å; F470-I478 HydrophobicContact CZ-CG2 4.19Å; F470-I478 VanDerWaalsContact CZ-O 3.31Å; F470-I478 WeakPolarHBondContact CZ-O 3.4Å; F470-V481 HydrophobicContact CB-CG1 4.44Å; F470-V481 HydrophobicContact CD1-CB 4.36Å; F470-V481 HydrophobicContact CD1-CG1 3.66Å; F470-V481 HydrophobicContact CD2-CG1 4.31Å; F470-V481 HydrophobicContact CE1-CB 4.14Å; F470-V481 HydrophobicContact CE1-CG1 3.89Å; F470-V481 HydrophobicContact CE2-CB 4.36Å; F470-V481 HydrophobicContact CG-CG1 3.88Å; F470-V481 HydrophobicContact CZ-CB 4.15Å; F470-V481 HydrophobicContact CZ-CG1 4.34Å; F470-A482 HydrophobicContact CE1-CB 4.03Å; F470-A482 HydrophobicContact CZ-CB 4.23Å; F470-L485 HydrophobicContact CD1-CD1 4.21Å; F470-V490 HydrophobicContact CD1-CG1 3.99Å; F470-V490 HydrophobicContact CE1-CG1 3.67Å; F470-G491 PolarHBondContact N-O 2.91Å; F470-V492 HydrophobicContact CE1-CG2 3.65Å; F470-V492 HydrophobicContact CE2-CG1 3.9Å; F470-V492 HydrophobicContact CE2-CG2 4.43Å; F470-V492 HydrophobicContact CZ-CB 4.21Å; F470-V492 HydrophobicContact CZ-CG1 3.83Å; F470-V492 HydrophobicContact CZ-CG2 3.57Å; F470-N493 PolarHBondContact O-N 2.92Å
471	Y	98.9	Very high	96.4	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.2	176.4	-79.1	-106.9	0	0	0	109.7	F313 I314 F316 Q323 A324 G327 N493 E494 G495	F313-Y471 AromaticContact CE1-CD2 3.82Å; F313-Y471 HydrophobicContact CE1-CD2 3.82Å; F313-Y471 HydrophobicContact CE1-CE2 4.08Å; F313-Y471 HydrophobicContact CE2-CD2 4.23Å; F313-Y471 AromaticContact CE2-CE2 3.76Å; F313-Y471 HydrophobicContact CE2-CE2 3.76Å; F313-Y471 AromaticContact CZ-CD2 3.47Å; F313-Y471 HydrophobicContact CZ-CD2 3.47Å; F313-Y471 VanDerWaalsContact CZ-CD2 3.47Å; F313-Y471 AromaticContact CZ-CE2 3.25Å; F313-Y471 HydrophobicContact CZ-CE2 3.25Å; I314-Y471 PolarHBondContact O-N 3.35Å; F316-Y471 WeakPolarHBondContact CD2-O 3.47Å; F316-Y471 PolarHBondContact N-O 2.91Å; F316-Y471 VanDerWaalsContact N-O 3.16Å; Q323-Y471 VanDerWaalsContact C-CE1 3.4Å; Q323-Y471 HydrophobicContact CB-CD1 4.32Å; Q323-Y471 HydrophobicContact CB-CE1 4Å; Q323-Y471 VanDerWaalsContact O-CE1 3.24Å; Q323-Y471 WeakPolarHBondContact O-CE1 3.35Å; A324-Y471 VanDerWaalsContact CA-CD1 3.45Å; A324-Y471 HydrophobicContact CB-CD1 3.84Å; A324-Y471 HydrophobicContact CB-CD2 4.36Å; A324-Y471 HydrophobicContact CB-CE1 4.47Å; A324-Y471 HydrophobicContact CB-CG 3.78Å; G327-Y471 VanDerWaalsContact CA-OH 3.22Å; G327-Y471 WeakPolarHBondContact CA-OH 3.28Å; Y471-N493 VanDerWaalsContact CA-OD1 3.26Å; Y471-N493 WeakPolarHBondContact CA-OD1 3.48Å; Y471-N493 HydrophobicContact CD1-CB 4.12Å; Y471-N493 WeakPolarHBondContact CD1-OD1 3.11Å; Y471-N493 VanDerWaalsContact CE1-C 3.4Å; Y471-N493 VanDerWaalsContact CE1-CA 3.44Å; Y471-N493 HydrophobicContact CE1-CB 4.15Å; Y471-N493 WeakPolarHBondContact CE1-O 3.37Å; Y471-N493 VanDerWaalsContact OH-C 3.29Å; Y471-N493 PolarHBondContact OH-O 3.26Å; Y471-E494 VanDerWaalsContact OH-CA 3.27Å; Y471-E494 WeakPolarHBondContact OH-CA 3.26Å; Y471-E494 PolarHBondContact OH-N 3.49Å; Y471-G495 PolarHBondContact OH-N 3.33Å
472	S	98.8	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.			trans	-159	152.3	-179.4	178.7	0	0	0	0	109.6	S318 D474 Q477 N493	S318-S472 PolarHBondContact OG-OG 3.02Å; S318-S472 VanDerWaalsContact OG-OG 3.06Å; S472-D474 PolarHBondContact OG-N 3.2Å; S472-D474 VanDerWaalsContact OG-N 3.15Å; S472-Q477 PolarHBondContact OG-OE1 3.32Å; S472-N493 PolarHBondContact N-OD1 3.15Å; S472-N493 PolarHBondContact O-ND2 3.26Å; S472-N493 PolarHBondContact O-OD1 3.11Å; S472-N493 VanDerWaalsContact O-OD1 3.1Å
473	Q	98.8	Very high	97.2	Very high	121 Å²	121	46.4 Å²	46.4	57%	0.565	24%	0.236	S	C	*	.	S	Bend	trans	-110	1	170.7	-66	-65.4	-72.6	0	0	112.9	S318 P475	S318-Q473 VanDerWaalsContact O-CB 3.3Å; S318-Q473 WeakPolarHBondContact O-CB 3.31Å; S318-Q473 WeakPolarHBondContact O-CG 3.2Å; S318-Q473 PolarHBondContact OG-N 3.04Å; Q473-P475 WeakPolarHBondContact O-CD 3.38Å
474	D	98.7	Very high	97.6	Very high	62 Å²	62	45.7 Å²	45.7	33%	0.332	23%	0.229	S	C	.	.			trans	-87.8	113.8	176.2	174.4	-17.2	0	0	0	109.7	S472 A476 Q477 I478	S472-D474 PolarHBondContact OG-N 3.2Å; S472-D474 VanDerWaalsContact OG-N 3.15Å; D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 3.39Å; D474-A476 WeakPolarHBondContact OD1-CA 3.43Å; D474-A476 WeakPolarHBondContact OD1-CB 3.3Å; D474-A476 PolarHBondContact OD1-N 2.98Å; D474-Q477 HydrophobicContact CB-CB 3.73Å; D474-Q477 PolarHBondContact O-N 3.04Å; D474-Q477 PolarHBondContact OD1-N 3.23Å; D474-I478 VanDerWaalsContact O-CG1 3.29Å; D474-I478 WeakPolarHBondContact O-CG1 3.25Å; D474-I478 PolarHBondContact O-N 3.47Å
475	P	98.7	Very high	98.1	Very high	95 Å²	95	44.7 Å²	44.7	62%	0.617	22%	0.223	S	C	*	.	H	α-helix	trans	-59.5	-35.5	-179.8	-25	36.1	0	0	0	114	Q473 I478 W479	Q473-P475 WeakPolarHBondContact O-CD 3.38Å; P475-I478 PolarHBondContact O-N 2.9Å; P475-W479 VanDerWaalsContact O-CD1 3.31Å; P475-W479 PolarHBondContact O-N 3.02Å
476	A	98.7	Very high	98.4	Very high	50 Å²	50	49.5 Å²	49.5	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-72.7	-40.5	179.3	0	0	0	0	0	111	D474 I478 W479 R480	D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 3.39Å; D474-A476 WeakPolarHBondContact OD1-CA 3.43Å; D474-A476 WeakPolarHBondContact OD1-CB 3.3Å; D474-A476 PolarHBondContact OD1-N 2.98Å; A476-I478 VanDerWaalsContact C-N 3.32Å; A476-W479 PolarHBondContact O-N 3.34Å; A476-R480 WeakPolarHBondContact O-CG 3.38Å; A476-R480 PolarHBondContact O-N 2.94Å; A476-R480 VanDerWaalsContact O-N 3.08Å; A476-R480 PolarHBondContact O-NH1 3.38Å
477	Q	98.8	Very high	98.5	Very high	17 Å²	17	50.5 Å²	50.5	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-40.5	172.9	178.3	169.1	80.4	0	0	111.7	F316 E452 S472 D474 W479 R480 V481	F316-Q477 VanDerWaalsContact CB-OE1 3.32Å; F316-Q477 HydrophobicContact CD2-CG 4.39Å; F316-Q477 HydrophobicContact CE2-CG 4.33Å; F316-Q477 HydrophobicContact CZ-CG 4.48Å; E452-Q477 VanDerWaalsContact OE2-CG 3.27Å; E452-Q477 WeakPolarHBondContact OE2-CG 3.37Å; E452-Q477 PolarHBondContact OE2-NE2 3.4Å; S472-Q477 PolarHBondContact OG-OE1 3.32Å; D474-Q477 HydrophobicContact CB-CB 3.73Å; D474-Q477 PolarHBondContact O-N 3.04Å; D474-Q477 PolarHBondContact OD1-N 3.23Å; Q477-W479 VanDerWaalsContact C-N 3.34Å; Q477-W479 PolarHBondContact O-N 2.92Å; Q477-R480 PolarHBondContact O-N 3.05Å; Q477-V481 HydrophobicContact CG-CG2 3.88Å; Q477-V481 WeakPolarHBondContact O-CB 3.4Å; Q477-V481 VanDerWaalsContact O-CG2 3.27Å; Q477-V481 WeakPolarHBondContact O-CG2 3.46Å; Q477-V481 PolarHBondContact O-N 2.88Å
478	I	98.9	Very high	98.6	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.195	26%	0.261	C	S	.	.	H	α-helix	trans	-54.3	-50.3	177.1	-75.5	164	0	0	0	111.2	F470 D474 P475 A476 A482 V492	F470-I478 HydrophobicContact CE2-CB 4.23Å; F470-I478 HydrophobicContact CE2-CG1 3.88Å; F470-I478 HydrophobicContact CZ-CB 4.31Å; F470-I478 HydrophobicContact CZ-CG1 4.4Å; F470-I478 HydrophobicContact CZ-CG2 4.19Å; F470-I478 VanDerWaalsContact CZ-O 3.31Å; F470-I478 WeakPolarHBondContact CZ-O 3.4Å; D474-I478 VanDerWaalsContact O-CG1 3.29Å; D474-I478 WeakPolarHBondContact O-CG1 3.25Å; D474-I478 PolarHBondContact O-N 3.47Å; P475-I478 PolarHBondContact O-N 2.9Å; A476-I478 VanDerWaalsContact C-N 3.32Å; I478-A482 WeakPolarHBondContact O-CB 3.46Å; I478-A482 PolarHBondContact O-N 3.3Å; I478-V492 HydrophobicContact CB-CG1 4.47Å; I478-V492 HydrophobicContact CD1-CG1 4.27Å; I478-V492 HydrophobicContact CG1-CG1 3.99Å; I478-V492 HydrophobicContact CG2-CG1 3.73Å; I478-V492 HydrophobicContact CG2-CG2 4.5Å
479	W	98.8	Very high	98.6	Very high	174 Å²	174	52.3 Å²	52.3	66%	0.659	27%	0.265	S	S	*	.	H	α-helix	trans	-67	-47.5	179.1	-79.4	97.6	0	0	0	112.3	P475 A476 Q477 V481 A482 E483	P475-W479 VanDerWaalsContact O-CD1 3.31Å; P475-W479 PolarHBondContact O-N 3.02Å; A476-W479 PolarHBondContact O-N 3.34Å; Q477-W479 VanDerWaalsContact C-N 3.34Å; Q477-W479 PolarHBondContact O-N 2.92Å; W479-V481 VanDerWaalsContact C-N 3.35Å; W479-V481 PolarHBondContact O-N 3.21Å; W479-A482 PolarHBondContact O-N 2.78Å; W479-E483 WeakPolarHBondContact O-CG 3.45Å; W479-E483 PolarHBondContact O-N 3.36Å
480	R	98.8	Very high	98.6	Very high	98 Å²	98	54.6 Å²	54.6	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-56.1	-47.5	179.4	-75.4	-166	-50.4	-86.3	0.3	112.4	E452 A476 Q477 Q484	E452-R480 IonicContact OE1-CZ 3.08Å; E452-R480 IonicContact OE1-NE 2.69Å; E452-R480 PolarHBondContact OE1-NE 3.15Å; E452-R480 IonicContact OE1-NH2 3.73Å; E452-R480 PolarHBondContact OE1-NH2 3.04Å; E452-R480 IonicContact OE2-CZ 2.81Å; E452-R480 IonicContact OE2-NE 3.21Å; E452-R480 IonicContact OE2-NH2 2.75Å; E452-R480 PolarHBondContact OE2-NH2 3.21Å; A476-R480 WeakPolarHBondContact O-CG 3.38Å; A476-R480 PolarHBondContact O-N 2.94Å; A476-R480 VanDerWaalsContact O-N 3.08Å; A476-R480 PolarHBondContact O-NH1 3.38Å; Q477-R480 PolarHBondContact O-N 3.05Å; R480-Q484 VanDerWaalsContact O-CB 3.24Å; R480-Q484 WeakPolarHBondContact O-CB 3.41Å; R480-Q484 WeakPolarHBondContact O-CG 3.01Å; R480-Q484 PolarHBondContact O-N 2.85Å; R480-Q484 VanDerWaalsContact O-N 3.12Å; R480-Q484 PolarHBondContact O-NE2 2.77Å
481	V	98.8	Very high	98.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-72.9	-40.9	-176.9	178.1	0	0	0	0	110.7	I314 F316 E452 I456 F470 Q477 W479 E483 Q484 L485	I314-V481 HydrophobicContact CD1-CG1 4.49Å; F316-V481 HydrophobicContact CE2-CB 4.48Å; F316-V481 HydrophobicContact CE2-CG1 4.19Å; F316-V481 HydrophobicContact CE2-CG2 3.82Å; F316-V481 HydrophobicContact CZ-CG1 4.24Å; F316-V481 HydrophobicContact CZ-CG2 3.56Å; E452-V481 HydrophobicContact CG-CG2 4.03Å; I456-V481 HydrophobicContact CD1-CG2 4.24Å; F470-V481 HydrophobicContact CB-CG1 4.44Å; F470-V481 HydrophobicContact CD1-CB 4.36Å; F470-V481 HydrophobicContact CD1-CG1 3.66Å; F470-V481 HydrophobicContact CD2-CG1 4.31Å; F470-V481 HydrophobicContact CE1-CB 4.14Å; F470-V481 HydrophobicContact CE1-CG1 3.89Å; F470-V481 HydrophobicContact CE2-CB 4.36Å; F470-V481 HydrophobicContact CG-CG1 3.88Å; F470-V481 HydrophobicContact CZ-CB 4.15Å; F470-V481 HydrophobicContact CZ-CG1 4.34Å; Q477-V481 HydrophobicContact CG-CG2 3.88Å; Q477-V481 WeakPolarHBondContact O-CB 3.4Å; Q477-V481 VanDerWaalsContact O-CG2 3.27Å; Q477-V481 WeakPolarHBondContact O-CG2 3.46Å; Q477-V481 PolarHBondContact O-N 2.88Å; W479-V481 VanDerWaalsContact C-N 3.35Å; W479-V481 PolarHBondContact O-N 3.21Å; V481-E483 VanDerWaalsContact C-N 3.3Å; V481-E483 PolarHBondContact O-N 3.41Å; V481-Q484 PolarHBondContact O-N 3.39Å; V481-L485 HydrophobicContact CG1-CD1 3.91Å; V481-L485 HydrophobicContact CG1-CG 4.07Å; V481-L485 WeakPolarHBondContact O-CG 3.49Å; V481-L485 PolarHBondContact O-N 3.2Å
482	A	98.7	Very high	98.6	Very high	32 Å²	32	57 Å²	57	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-36.7	178.8	0	0	0	0	0	112.9	F470 I478 W479 V490	F470-A482 HydrophobicContact CE1-CB 4.03Å; F470-A482 HydrophobicContact CZ-CB 4.23Å; I478-A482 WeakPolarHBondContact O-CB 3.46Å; I478-A482 PolarHBondContact O-N 3.3Å; W479-A482 PolarHBondContact O-N 2.78Å; A482-V490 HydrophobicContact CB-CG1 4.33Å
483	E	98.7	Very high	98.6	Very high	143 Å²	143	59.2 Å²	59.2	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-79.2	-32.9	177.9	-68.1	178.2	161.7	0	0	113.1	W479 V481	W479-E483 WeakPolarHBondContact O-CG 3.45Å; W479-E483 PolarHBondContact O-N 3.36Å; V481-E483 VanDerWaalsContact C-N 3.3Å; V481-E483 PolarHBondContact O-N 3.41Å
484	Q	98.7	Very high	98.6	Very high	93 Å²	93	57.9 Å²	57.9	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-87.7	-19.5	-175.4	-72	177.6	94.9	0	0	114.3	I456 N460 R480 V481 E486	I456-Q484 HydrophobicContact CD1-CB 4.16Å; I456-Q484 HydrophobicContact CG2-CB 4.17Å; N460-Q484 PolarHBondContact ND2-O 3.01Å; R480-Q484 VanDerWaalsContact O-CB 3.24Å; R480-Q484 WeakPolarHBondContact O-CB 3.41Å; R480-Q484 WeakPolarHBondContact O-CG 3.01Å; R480-Q484 PolarHBondContact O-N 2.85Å; R480-Q484 VanDerWaalsContact O-N 3.12Å; R480-Q484 PolarHBondContact O-NE2 2.77Å; V481-Q484 PolarHBondContact O-N 3.39Å; Q484-E486 PolarHBondContact O-N 3.48Å
485	L	98.3	Very high	98.5	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.047	28%	0.284	C	S	.	.	S	Bend	trans	-68	119.8	174.1	-80.6	177.1	0	0	0	110.5	P312 I314 A459 F470 V481 V487	P312-L485 HydrophobicContact CG-CD2 4.45Å; I314-L485 HydrophobicContact CD1-CD1 4.39Å; I314-L485 HydrophobicContact CD1-CD2 4.09Å; A459-L485 HydrophobicContact CB-CD2 3.56Å; F470-L485 HydrophobicContact CD1-CD1 4.21Å; V481-L485 HydrophobicContact CG1-CD1 3.91Å; V481-L485 HydrophobicContact CG1-CG 4.07Å; V481-L485 WeakPolarHBondContact O-CG 3.49Å; V481-L485 PolarHBondContact O-N 3.2Å; L485-V487 HydrophobicContact CB-CG2 4.04Å; L485-V487 PolarHBondContact O-N 3.23Å
486	E	97.9	Very high	98.3	Very high	100 Å²	100	54 Å²	54	47%	0.467	27%	0.274	S	S	.	.			trans	-82.2	59.2	-178	-65.1	-178.4	-178.7	0	0	111.6	N460 G465 Q484 V507 K508	N460-E486 PolarHBondContact OD1-N 3.04Å; G465-E486 WeakPolarHBondContact CA-O 3.37Å; Q484-E486 PolarHBondContact O-N 3.48Å; E486-V507 VanDerWaalsContact O-CG2 3.24Å; E486-V507 WeakPolarHBondContact O-CG2 3.46Å; E486-K508 WeakPolarHBondContact OE2-CE 3.48Å; E486-K508 IonicContact OE2-NZ 3.95Å; E486-K508 PolarHBondContact OE2-NZ 2.77Å
487	V	98	Very high	98.3	Very high	22 Å²	22	53.5 Å²	53.5	13%	0.133	26%	0.264	C	S	.	.	S	Bend	trans	-125.3	161	-178.1	-60.8	0	0	0	0	111.3	L485 M489 V490	L485-V487 HydrophobicContact CB-CG2 4.04Å; L485-V487 PolarHBondContact O-N 3.23Å; V487-M489 VanDerWaalsContact CG2-O 3.28Å; V487-M489 WeakPolarHBondContact CG2-O 3.5Å; V487-V490 HydrophobicContact CG2-CG2 3.5Å
488	G	97.9	Very high	98.1	Very high	21 Å²	21	54.7 Å²	54.7	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	-79.7	-20.6	178	0	0	0	0	0	114.6	G465 L466 G505	G465-G488 PolarHBondContact O-N 3.49Å; G465-G488 VanDerWaalsContact O-N 3.16Å; L466-G488 WeakPolarHBondContact O-CA 3.37Å; L466-G488 PolarHBondContact O-N 3.49Å; G488-G505 WeakPolarHBondContact CA-O 3.47Å
489	M	98.5	Very high	98	Very high	18 Å²	18	54 Å²	54	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.4	-175.7	-56	166.5	-75.2	0	0	110.5	V341 L466 A467 G468 V487 I497 F504	V341-M489 HydrophobicContact CG1-CE 4.01Å; L466-M489 HydrophobicContact CD1-CE 3.6Å; L466-M489 HydrophobicContact CG-CE 3.71Å; L466-M489 VanDerWaalsContact O-CE 3.3Å; L466-M489 WeakPolarHBondContact O-CE 3.44Å; L466-M489 PolarHBondContact O-N 3.32Å; L466-M489 VanDerWaalsContact O-N 3.09Å; A467-M489 CarbonylContact C-O 3.45Å; A467-M489 WeakPolarHBondContact CA-O 3.3Å; A467-M489 HydrophobicContact CB-CE 4.1Å; G468-M489 PolarHBondContact N-O 2.88Å; V487-M489 VanDerWaalsContact CG2-O 3.28Å; V487-M489 WeakPolarHBondContact CG2-O 3.5Å; M489-I497 HydrophobicContact CB-CD1 3.74Å; M489-F504 HydrophobicContact CE-CD1 4.08Å; M489-F504 HydrophobicContact CE-CD2 4.23Å; M489-F504 HydrophobicContact CE-CE1 3.86Å; M489-F504 HydrophobicContact CE-CE2 4.01Å; M489-F504 HydrophobicContact CE-CG 4.28Å; M489-F504 HydrophobicContact CE-CZ 3.85Å; M489-F504 HydrophobicContact SD-CB 4.14Å; M489-F504 HydrophobicContact SD-CD1 3.9Å; M489-F504 HydrophobicContact SD-CD2 3.22Å; M489-F504 WeakPolarHBondContact SD-CD2 3.47Å; M489-F504 HydrophobicContact SD-CE1 4.1Å; M489-F504 HydrophobicContact SD-CE2 3.47Å; M489-F504 WeakPolarHBondContact SD-CE2 3.45Å; M489-F504 HydrophobicContact SD-CG 3.48Å; M489-F504 WeakPolarHBondContact SD-CG 3.37Å; M489-F504 HydrophobicContact SD-CZ 3.93Å
490	V	98.6	Very high	98	Very high	49 Å²	49	46.2 Å²	46.2	30%	0.297	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.1	-178.6	-179.6	0	0	0	0	110.7	G468 F470 A482 V487 V492	G468-V490 CarbonylContact O-C 3.59Å; G468-V490 VanDerWaalsContact O-CA 3.28Å; G468-V490 WeakPolarHBondContact O-CA 3.45Å; F470-V490 HydrophobicContact CD1-CG1 3.99Å; F470-V490 HydrophobicContact CE1-CG1 3.67Å; A482-V490 HydrophobicContact CB-CG1 4.33Å; V487-V490 HydrophobicContact CG2-CG2 3.5Å; V490-V492 HydrophobicContact CG1-CG2 4.1Å
491	G	98.6	Very high	98	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.7	167.8	0	0	0	0	0	111.4	G468 Y469 F470	G468-G491 PolarHBondContact O-N 3.25Å; Y469-G491 CarbonylContact C-O 3.45Å; Y469-G491 WeakPolarHBondContact CA-O 3.26Å; F470-G491 PolarHBondContact N-O 2.91Å
492	V	98.8	Very high	98	Very high	54 Å²	54	49.5 Å²	49.5	33%	0.327	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.4	177.9	-175.8	0	0	0	0	108.8	F470 I478 V490 E494	F470-V492 HydrophobicContact CE1-CG2 3.65Å; F470-V492 HydrophobicContact CE2-CG1 3.9Å; F470-V492 HydrophobicContact CE2-CG2 4.43Å; F470-V492 HydrophobicContact CZ-CB 4.21Å; F470-V492 HydrophobicContact CZ-CG1 3.83Å; F470-V492 HydrophobicContact CZ-CG2 3.57Å; I478-V492 HydrophobicContact CB-CG1 4.47Å; I478-V492 HydrophobicContact CD1-CG1 4.27Å; I478-V492 HydrophobicContact CG1-CG1 3.99Å; I478-V492 HydrophobicContact CG2-CG1 3.73Å; I478-V492 HydrophobicContact CG2-CG2 4.5Å; V490-V492 HydrophobicContact CG1-CG2 4.1Å; V492-E494 PolarHBondContact O-N 2.98Å; V492-E494 VanDerWaalsContact O-N 3.09Å
493	N	98.6	Very high	98	Very high	45 Å²	45	50.5 Å²	50.5	24%	0.241	27%	0.274	C	S	.	.	S	Bend	trans	54.3	23.5	-175.1	-60.6	-51.9	0	0	0	114.1	F470 Y471 S472	F470-N493 PolarHBondContact O-N 2.92Å; Y471-N493 VanDerWaalsContact CA-OD1 3.26Å; Y471-N493 WeakPolarHBondContact CA-OD1 3.48Å; Y471-N493 HydrophobicContact CD1-CB 4.12Å; Y471-N493 WeakPolarHBondContact CD1-OD1 3.11Å; Y471-N493 VanDerWaalsContact CE1-C 3.4Å; Y471-N493 VanDerWaalsContact CE1-CA 3.44Å; Y471-N493 HydrophobicContact CE1-CB 4.15Å; Y471-N493 WeakPolarHBondContact CE1-O 3.37Å; Y471-N493 VanDerWaalsContact OH-C 3.29Å; Y471-N493 PolarHBondContact OH-O 3.26Å; S472-N493 PolarHBondContact N-OD1 3.15Å; S472-N493 PolarHBondContact O-ND2 3.26Å; S472-N493 PolarHBondContact O-OD1 3.11Å; S472-N493 VanDerWaalsContact O-OD1 3.1Å
494	E	98.5	Very high	98	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	24%	0.244	S	C	.	.			trans	-143.6	133.9	178.9	176.9	53.9	-100.8	0	0	109.8	Y469 Y471 V492 L496	Y469-E494 WeakPolarHBondContact CD1-O 3.44Å; Y471-E494 VanDerWaalsContact OH-CA 3.27Å; Y471-E494 WeakPolarHBondContact OH-CA 3.26Å; Y471-E494 PolarHBondContact OH-N 3.49Å; V492-E494 PolarHBondContact O-N 2.98Å; V492-E494 VanDerWaalsContact O-N 3.09Å; E494-L496 PolarHBondContact OE1-N 3.44Å
495	G	96.6	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-96.6	-12.6	179.8	0	0	0	0	0	114.2	Y469 Y471	Y469-G495 WeakPolarHBondContact CE1-O 3.42Å; Y471-G495 PolarHBondContact OH-N 3.33Å
496	L	95.4	Very high	97.9	Very high	76 Å²	76	39.5 Å²	39.5	40%	0.398	22%	0.223	S	C	.	.			trans	-121.7	92.4	-178.1	-63.1	-178.6	0	0	0	111.6	A330 E494	A330-L496 HydrophobicContact CB-CD1 3.99Å; A330-L496 HydrophobicContact CB-CD2 4.02Å; A330-L496 HydrophobicContact CB-CG 3.8Å; E494-L496 PolarHBondContact OE1-N 3.44Å
497	I	97.4	Very high	97.9	Very high	39 Å²	39	37 Å²	37	20%	0.2	22%	0.215	C	C	.	.			trans	-98	8.6	-176	64.2	175.8	0	0	0	114.5	Y469 M489 S499	Y469-I497 HydrophobicContact CE1-CD1 4.15Å; Y469-I497 HydrophobicContact CE1-CG1 4.23Å; Y469-I497 HydrophobicContact CE1-CG2 4.14Å; M489-I497 HydrophobicContact CB-CD1 3.74Å; I497-S499 PolarHBondContact O-N 3.49Å
498	S	95.3	Very high	97.8	Very high	42 Å²	42	40.1 Å²	40.1	29%	0.294	23%	0.227	S	C	.	.			trans	-69.3	116.8	-176.6	-59	0	0	0	0	111.2	R334	R334-S498 PolarHBondContact NH1-OG 3.41Å
499	S	98.1	Very high	97.8	Very high	24 Å²	24	42.3 Å²	42.3	17%	0.168	23%	0.231	C	C	.	.			trans	-148.6	137.5	179.1	156.7	0	0	0	0	109.3	Y159 I497 E501 C502	Y159-S499 PolarHBondContact OH-N 3.15Å; Y159-S499 PolarHBondContact OH-O 2.86Å; I497-S499 PolarHBondContact O-N 3.49Å; S499-E501 VanDerWaalsContact OG-CG 3.31Å; S499-E501 WeakPolarHBondContact OG-CG 3.4Å; S499-E501 PolarHBondContact OG-OE1 3.1Å; S499-E501 PolarHBondContact OG-OE2 3.1Å; S499-C502 PolarHBondContact O-N 3.08Å
500	V	98.5	Very high	97.7	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.9	-175.2	-59.7	0	0	0	0	112.4	Y159 F162 F163 W166 C502 G516 S517	Y159-V500 HydrophobicContact CD2-CG1 3.79Å; Y159-V500 HydrophobicContact CE2-CG1 3.58Å; F162-V500 HydrophobicContact CB-CG1 3.79Å; F162-V500 HydrophobicContact CB-CG2 4.14Å; F163-V500 HydrophobicContact CD1-CB 3.82Å; F163-V500 HydrophobicContact CD1-CG1 3.74Å; F163-V500 HydrophobicContact CD2-CG1 3.96Å; F163-V500 HydrophobicContact CE1-CB 3.79Å; F163-V500 HydrophobicContact CE1-CG1 3.75Å; F163-V500 HydrophobicContact CE2-CG1 3.99Å; F163-V500 HydrophobicContact CG-CB 4.38Å; F163-V500 HydrophobicContact CG-CG1 3.84Å; F163-V500 HydrophobicContact CZ-CB 4.35Å; F163-V500 HydrophobicContact CZ-CG1 3.89Å; W166-V500 HydrophobicContact CB-CB 4.39Å; W166-V500 HydrophobicContact CB-CG2 4.05Å; W166-V500 HydrophobicContact CG-CG2 4.34Å; V500-C502 VanDerWaalsContact C-N 3.35Å; V500-G516 CarbonylContact O-C 3.59Å; V500-G516 WeakPolarHBondContact O-CA 3.4Å; V500-S517 PolarHBondContact O-N 2.91Å
501	E	98.5	Very high	97.7	Very high	106 Å²	106	39.5 Å²	39.5	50%	0.495	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.5	176.7	59.2	-80.3	174.6	0	0	114	W166 S499 S517	W166-E501 HydrophobicContact CD2-CB 4.46Å; W166-E501 HydrophobicContact CE3-CB 3.99Å; W166-E501 HydrophobicContact CH2-CB 3.54Å; W166-E501 HydrophobicContact CZ2-CB 4.05Å; W166-E501 HydrophobicContact CZ3-CB 3.51Å; S499-E501 VanDerWaalsContact OG-CG 3.31Å; S499-E501 WeakPolarHBondContact OG-CG 3.4Å; S499-E501 PolarHBondContact OG-OE1 3.1Å; S499-E501 PolarHBondContact OG-OE2 3.1Å; E501-S517 VanDerWaalsContact O-CA 3.24Å; E501-S517 WeakPolarHBondContact O-CA 3.41Å; E501-S517 WeakPolarHBondContact O-CB 3.37Å
502	C	98.6	Very high	97.7	Very high	61 Å²	61	43.4 Å²	43.4	41%	0.412	24%	0.237	S	C	.	.	S	Bend	trans	-102.3	144.1	178.1	-71.6	0	0	0	0	112.6	S499 V500 F504 S517	S499-C502 PolarHBondContact O-N 3.08Å; V500-C502 VanDerWaalsContact C-N 3.35Å; C502-F504 PolarHBondContact O-N 3.05Å; C502-S517 VanDerWaalsContact C-CB 3.49Å
503	P	98.5	Very high	97.7	Very high	54 Å²	54	42.2 Å²	42.2	35%	0.351	24%	0.235	S	C	.	.			trans	-72.9	124.5	179.6	27.5	-32.2	0	0	0	110.8	R514 Y519	P503-R514 HydrophobicContact CB-CB 4.11Å; P503-R514 HydrophobicContact CB-CG 4.11Å; P503-Y519 HydrophobicContact CB-CD2 4.11Å; P503-Y519 HydrophobicContact CG-CD2 4.31Å
504	F	98.6	Very high	97.7	Very high	10 Å²	10	42.9 Å²	42.9	4%	0.044	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-112.3	131.4	-179.4	-159.6	-80.3	0	0	0	110.7	E306 V341 M489 C502 R514 E515	E306-F504 WeakPolarHBondContact OE2-CD1 3.33Å; E306-F504 WeakPolarHBondContact OE2-CE1 3.45Å; V341-F504 HydrophobicContact CG1-CE1 4.18Å; V341-F504 HydrophobicContact CG1-CE2 4.1Å; V341-F504 HydrophobicContact CG1-CZ 3.38Å; M489-F504 HydrophobicContact CE-CD1 4.08Å; M489-F504 HydrophobicContact CE-CD2 4.23Å; M489-F504 HydrophobicContact CE-CE1 3.86Å; M489-F504 HydrophobicContact CE-CE2 4.01Å; M489-F504 HydrophobicContact CE-CG 4.28Å; M489-F504 HydrophobicContact CE-CZ 3.85Å; M489-F504 HydrophobicContact SD-CB 4.14Å; M489-F504 HydrophobicContact SD-CD1 3.9Å; M489-F504 HydrophobicContact SD-CD2 3.22Å; M489-F504 WeakPolarHBondContact SD-CD2 3.47Å; M489-F504 HydrophobicContact SD-CE1 4.1Å; M489-F504 HydrophobicContact SD-CE2 3.47Å; M489-F504 WeakPolarHBondContact SD-CE2 3.45Å; M489-F504 HydrophobicContact SD-CG 3.48Å; M489-F504 WeakPolarHBondContact SD-CG 3.37Å; M489-F504 HydrophobicContact SD-CZ 3.93Å; C502-F504 PolarHBondContact O-N 3.05Å; F504-R514 CarbonylContact O-C 3.54Å; F504-R514 VanDerWaalsContact O-CA 3.31Å; F504-R514 WeakPolarHBondContact O-CA 3.32Å; F504-R514 WeakPolarHBondContact O-CD 3.48Å; F504-E515 WeakPolarHBondContact CB-O 3.15Å; F504-E515 PolarHBondContact N-O 2.74Å; F504-E515 PolarHBondContact O-N 2.66Å
505	G	97.9	Very high	97.7	Very high	2 Å²	2	39 Å²	39	2%	0.021	22%	0.216	C	C	.	.			trans	152.1	170.5	177.1	0	0	0	0	0	112.1	G488	G488-G505 WeakPolarHBondContact CA-O 3.47Å
506	G	97.3	Very high	97.8	Very high	2 Å²	2	39 Å²	39	2%	0.021	22%	0.216	C	C	.	.			trans	-102.1	172.9	-170.7	0	0	0	0	0	115.5	G465 R514	G465-G506 CarbonylContact O-C 3.44Å; G465-G506 WeakPolarHBondContact O-CA 3.5Å; G506-R514 PolarHBondContact O-NH1 3Å; G506-R514 PolarHBondContact O-NH2 3.44Å
507	V	97.7	Very high	97.9	Very high	48 Å²	48	35.5 Å²	35.5	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	176.8	164.3	-62.2	0	0	0	0	109.5	G465 E486 Q509 S510	G465-V507 WeakPolarHBondContact O-CG2 3.42Å; G465-V507 PolarHBondContact O-N 2.82Å; E486-V507 VanDerWaalsContact O-CG2 3.24Å; E486-V507 WeakPolarHBondContact O-CG2 3.46Å; V507-Q509 PolarHBondContact O-N 3.37Å; V507-S510 WeakPolarHBondContact O-CB 3.42Å; V507-S510 PolarHBondContact O-N 3.28Å
508	K	96.8	Very high	98	Very high	87 Å²	87	39.2 Å²	39.2	38%	0.378	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52	-130.9	-178.8	-54	-179	-177.4	179.8	0	112	N460 A462 D463 E486 S510	N460-K508 PolarHBondContact O-NZ 2.85Å; A462-K508 PolarHBondContact O-NZ 2.81Å; D463-K508 VanDerWaalsContact O-CB 3.27Å; D463-K508 WeakPolarHBondContact O-CB 3.48Å; E486-K508 WeakPolarHBondContact OE2-CE 3.48Å; E486-K508 IonicContact OE2-NZ 3.95Å; E486-K508 PolarHBondContact OE2-NZ 2.77Å; K508-S510 VanDerWaalsContact C-N 3.26Å; K508-S510 PolarHBondContact O-N 3.1Å
509	Q	96.6	Very high	98.1	Very high	66 Å²	66	42.5 Å²	42.5	31%	0.308	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.1	178.8	-56.4	-168.5	50.9	0	0	113.7	L307 D463 V464 V507 G511	L307-Q509 WeakPolarHBondContact CD1-O 3.17Å; D463-Q509 WeakPolarHBondContact O-CB 3.5Å; D463-Q509 PolarHBondContact O-N 2.96Å; D463-Q509 VanDerWaalsContact O-N 3.16Å; D463-Q509 PolarHBondContact OD2-NE2 3.29Å; D463-Q509 VanDerWaalsContact OD2-NE2 3.14Å; V464-Q509 HydrophobicContact CG1-CB 4.49Å; V507-Q509 PolarHBondContact O-N 3.37Å; Q509-G511 VanDerWaalsContact C-N 3.31Å
510	S	97.3	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.7	177.1	-70.6	0	0	0	0	114	L307 G308 V464 G465 V507 K508	L307-S510 PolarHBondContact N-O 3.15Å; G308-S510 PolarHBondContact O-OG 2.82Å; V464-S510 WeakPolarHBondContact CA-OG 3.27Å; V464-S510 VanDerWaalsContact CB-OG 3.28Å; V464-S510 WeakPolarHBondContact CB-OG 3.45Å; G465-S510 PolarHBondContact N-OG 2.93Å; V507-S510 WeakPolarHBondContact O-CB 3.42Å; V507-S510 PolarHBondContact O-N 3.28Å; K508-S510 VanDerWaalsContact C-N 3.26Å; K508-S510 PolarHBondContact O-N 3.1Å
511	G	97.8	Very high	98.2	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-171.8	170.2	0	0	0	0	0	117.2	M305 Q509	M305-G511 CarbonylContact O-C 3.59Å; M305-G511 WeakPolarHBondContact O-CA 3.49Å; Q509-G511 VanDerWaalsContact C-N 3.31Å
512	L	98.7	Very high	98.2	Very high	84 Å²	84	39 Å²	39	44%	0.44	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.4	178.5	-64.7	171.7	0	0	0	108.8	L293 V303 S304 M305	L293-L512 HydrophobicContact CD2-CD1 3.87Å; V303-L512 HydrophobicContact CG1-CD1 4.25Å; S304-L512 CarbonylContact C-O 3.6Å; S304-L512 VanDerWaalsContact CA-O 3.3Å; S304-L512 WeakPolarHBondContact CA-O 3.19Å; M305-L512 PolarHBondContact N-O 2.9Å; M305-L512 PolarHBondContact O-N 3.23Å
513	G	98.3	Very high	98.2	Very high	28 Å²	28	37.6 Å²	37.6	29%	0.289	19%	0.189	S	C	.	.	S	Bend	trans	77.6	-173.3	178.6	0	0	0	0	0	114.2	E523	G513-E523 WeakPolarHBondContact CA-OE1 2.92Å
514	R	98.7	Very high	98.2	Very high	60 Å²	60	35.2 Å²	35.2	23%	0.226	17%	0.173	C	C	.	.			trans	-137.3	151.1	176.3	-66.8	-66.6	-179	-86.9	5.4	111.3	P503 F504 G506 E523	P503-R514 HydrophobicContact CB-CB 4.11Å; P503-R514 HydrophobicContact CB-CG 4.11Å; F504-R514 CarbonylContact O-C 3.54Å; F504-R514 VanDerWaalsContact O-CA 3.31Å; F504-R514 WeakPolarHBondContact O-CA 3.32Å; F504-R514 WeakPolarHBondContact O-CD 3.48Å; G506-R514 PolarHBondContact O-NH1 3Å; G506-R514 PolarHBondContact O-NH2 3.44Å; R514-E523 PolarHBondContact N-OE1 3.16Å; R514-E523 WeakPolarHBondContact O-CG 3.41Å
515	E	98.7	Very high	98.2	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.056	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-120.2	153.9	176.5	-48.3	-164.4	134.9	0	0	109.8	R213 K214 S281 F504	R213-E515 WeakPolarHBondContact CD-OE2 3.41Å; K214-E515 VanDerWaalsContact CG-OE1 3.22Å; K214-E515 WeakPolarHBondContact CG-OE1 3.47Å; K214-E515 IonicContact NZ-OE1 2.78Å; K214-E515 PolarHBondContact NZ-OE1 3.37Å; K214-E515 IonicContact NZ-OE2 2.74Å; K214-E515 PolarHBondContact NZ-OE2 3.21Å; K214-E515 VanDerWaalsContact NZ-OE2 3.09Å; S281-E515 PolarHBondContact OG-OE1 3.46Å; F504-E515 WeakPolarHBondContact CB-O 3.15Å; F504-E515 PolarHBondContact N-O 2.74Å; F504-E515 PolarHBondContact O-N 2.66Å
516	G	98.3	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	71.5	-177.9	-168.5	0	0	0	0	0	113.3	V500 G520	V500-G516 CarbonylContact O-C 3.59Å; V500-G516 WeakPolarHBondContact O-CA 3.4Å; G516-G520 WeakPolarHBondContact O-CA 3.29Å; G516-G520 PolarHBondContact O-N 3.17Å
517	S	98.5	Very high	98.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-171.1	-175.2	75.9	0	0	0	0	115.1	W166 V500 E501 C502 Y519	W166-S517 VanDerWaalsContact NE1-C 3.27Å; W166-S517 PolarHBondContact NE1-O 3.34Å; V500-S517 PolarHBondContact O-N 2.91Å; E501-S517 VanDerWaalsContact O-CA 3.24Å; E501-S517 WeakPolarHBondContact O-CA 3.41Å; E501-S517 WeakPolarHBondContact O-CB 3.37Å; C502-S517 VanDerWaalsContact C-CB 3.49Å; S517-Y519 PolarHBondContact O-N 2.73Å; S517-Y519 WeakPolarHBondContact OG-CD2 3.32Å; S517-Y519 PolarHBondContact OG-N 3.08Å
518	K	98.6	Very high	98.4	Very high	116 Å²	116	47.1 Å²	47.1	50%	0.504	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.7	166.9	56.7	176.6	-82.6	-139.3	0	113.5
519	Y	98.8	Very high	98.5	Very high	112 Å²	112	49.6 Å²	49.6	44%	0.439	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-24.6	-174.2	-58.1	-69	0	0	0	113.3	P503 S517 I521 D522	P503-Y519 HydrophobicContact CB-CD2 4.11Å; P503-Y519 HydrophobicContact CG-CD2 4.31Å; S517-Y519 PolarHBondContact O-N 2.73Å; S517-Y519 WeakPolarHBondContact OG-CD2 3.32Å; S517-Y519 PolarHBondContact OG-N 3.08Å; Y519-I521 PolarHBondContact O-N 2.77Å; Y519-D522 WeakPolarHBondContact O-CB 3.41Å; Y519-D522 PolarHBondContact O-N 3.34Å; Y519-D522 VanDerWaalsContact O-N 3.09Å
520	G	98.7	Very high	98.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.2	-175.8	0	0	0	0	0	114.2	G516	G516-G520 WeakPolarHBondContact O-CA 3.29Å; G516-G520 PolarHBondContact O-N 3.17Å
521	I	98.8	Very high	98.6	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-28.2	177.1	-159.8	165.3	0	0	0	112.6	F167 E170 V174 A220 A221 Y519 E523 Y524 L525	F167-I521 HydrophobicContact CE1-CB 4.44Å; E170-I521 HydrophobicContact CB-CD1 4.05Å; V174-I521 HydrophobicContact CG2-CD1 3.53Å; V174-I521 HydrophobicContact CG2-CG1 4.26Å; A220-I521 HydrophobicContact CB-CD1 3.85Å; A221-I521 HydrophobicContact CB-CG1 4Å; Y519-I521 PolarHBondContact O-N 2.77Å; I521-E523 PolarHBondContact O-N 3.41Å; I521-Y524 PolarHBondContact O-N 2.86Å; I521-Y524 VanDerWaalsContact O-N 3.08Å; I521-L525 HydrophobicContact CG1-CD1 4.32Å; I521-L525 HydrophobicContact CG2-CD1 4.38Å
522	D	98.8	Very high	98.7	Very high	57 Å²	57	57.9 Å²	57.9	31%	0.305	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-65.6	-24.1	-179.2	-69.5	-47.2	0	0	0	111.9	K192 R302 Y519 Y524 L525	K192-D522 IonicContact NZ-OD1 2.74Å; K192-D522 PolarHBondContact NZ-OD1 3.24Å; R302-D522 PolarHBondContact NH2-O 3.5Å; Y519-D522 WeakPolarHBondContact O-CB 3.41Å; Y519-D522 PolarHBondContact O-N 3.34Å; Y519-D522 VanDerWaalsContact O-N 3.09Å; D522-Y524 PolarHBondContact O-N 3.21Å; D522-Y524 VanDerWaalsContact O-N 3.12Å; D522-L525 PolarHBondContact O-N 3.11Å
523	E	98.9	Very high	98.6	Very high	32 Å²	32	55.5 Å²	55.5	15%	0.15	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.8	-18.6	174.1	-68.7	-57.1	152.6	0	0	114.1	I195 K279 G513 R514 I521	I195-E523 VanDerWaalsContact CD1-O 3.25Å; I195-E523 WeakPolarHBondContact CD1-O 3.17Å; K279-E523 WeakPolarHBondContact CD-O 3.33Å; K279-E523 WeakPolarHBondContact CE-O 3.4Å; K279-E523 PolarHBondContact NZ-O 2.92Å; K279-E523 IonicContact NZ-OE2 2.97Å; K279-E523 PolarHBondContact NZ-OE2 3.19Å; G513-E523 WeakPolarHBondContact CA-OE1 2.92Å; R514-E523 PolarHBondContact N-OE1 3.16Å; R514-E523 WeakPolarHBondContact O-CG 3.41Å; I521-E523 PolarHBondContact O-N 3.41Å
524	Y	98.9	Very high	98.5	Very high	4 Å²	4	58 Å²	58	2%	0.016	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-115.1	10.4	-175.3	-61.7	-84	0	0	0	113.2	I195 A198 K214 A217 A218 C223 K279 S281 I521 D522	I195-Y524 VanDerWaalsContact CD1-C 3.44Å; I195-Y524 WeakPolarHBondContact CG1-O 3.25Å; I195-Y524 PolarHBondContact N-O 3.28Å; A198-Y524 HydrophobicContact CB-CD1 4.3Å; A198-Y524 HydrophobicContact CB-CE1 3.99Å; K214-Y524 PolarHBondContact O-OH 3.06Å; A217-Y524 HydrophobicContact CB-CD2 3.72Å; A217-Y524 HydrophobicContact CB-CE2 3.61Å; A218-Y524 HydrophobicContact CB-CD1 3.66Å; A218-Y524 HydrophobicContact CB-CE1 3.64Å; A218-Y524 HydrophobicContact CB-CG 4.15Å; C223-Y524 PolarHBondContact SG-O 3.25Å; C223-Y524 VanDerWaalsContact SG-O 3.36Å; K279-Y524 HydrophobicContact CG-CD1 4.09Å; K279-Y524 HydrophobicContact CG-CE1 4Å; S281-Y524 WeakPolarHBondContact CB-OH 3.21Å; I521-Y524 PolarHBondContact O-N 2.86Å; I521-Y524 VanDerWaalsContact O-N 3.08Å; D522-Y524 PolarHBondContact O-N 3.21Å; D522-Y524 VanDerWaalsContact O-N 3.12Å
525	L	98.9	Very high	98.4	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.7	-179.1	-66.3	166.3	0	0	0	112.4	V174 K192 Q193 A221 R302 I521 D522	V174-L525 HydrophobicContact CB-CD1 4.49Å; V174-L525 HydrophobicContact CG1-CD1 3.64Å; V174-L525 HydrophobicContact CG1-CD2 3.96Å; V174-L525 HydrophobicContact CG1-CG 4.49Å; V174-L525 HydrophobicContact CG2-CD1 4.02Å; K192-L525 HydrophobicContact CB-CD1 4.35Å; K192-L525 HydrophobicContact CB-CD2 4.37Å; K192-L525 HydrophobicContact CD-CD1 4.1Å; Q193-L525 CarbonylContact O-C 3.57Å; Q193-L525 WeakPolarHBondContact O-CA 3.3Å; A221-L525 HydrophobicContact CB-CD2 3.96Å; A221-L525 HydrophobicContact CB-CG 4.18Å; R302-L525 PolarHBondContact NH1-O 2.66Å; I521-L525 HydrophobicContact CG1-CD1 4.32Å; I521-L525 HydrophobicContact CG2-CD1 4.38Å; D522-L525 PolarHBondContact O-N 3.11Å
526	E	98.8	Very high	98.3	Very high	87 Å²	87	63.8 Å²	63.8	41%	0.407	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.8	164.6	-77.2	-56.3	152.4	0	0	110.4	K192 Q193 I195 R302	K192-E526 WeakPolarHBondContact CA-O 3.25Å; Q193-E526 PolarHBondContact N-O 3.25Å; Q193-E526 PolarHBondContact O-N 2.97Å; I195-E526 HydrophobicContact CG1-CG 3.96Å; R302-E526 IonicContact CZ-OE1 2.98Å; R302-E526 VanDerWaalsContact NH1-CD 3.33Å; R302-E526 IonicContact NH1-OE1 3.71Å; R302-E526 PolarHBondContact NH1-OE1 3.17Å; R302-E526 IonicContact NH1-OE2 3.07Å
527	L	98.8	Very high	98.3	Very high	115 Å²	115	67.1 Å²	67.1	60%	0.602	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	138	171.1	-57.5	-174	0	0	0	110	V190 L191 K192	V190-L527 HydrophobicContact CG1-CB 4.29Å; V190-L527 HydrophobicContact CG1-CD2 4.35Å; L191-L527 CarbonylContact O-C 3.58Å; L191-L527 WeakPolarHBondContact O-CA 3.28Å; K192-L527 HydrophobicContact CD-CD2 4.05Å; K192-L527 HydrophobicContact CG-CD2 3.67Å
528	K	98.8	Very high	98.3	Very high	103 Å²	103	70.7 Å²	70.7	45%	0.448	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	110	174.6	179.8	175.6	-70.4	170.3	0	110.3	V190 L191 V530	V190-K528 CarbonylContact C-O 3.52Å; V190-K528 WeakPolarHBondContact CA-O 3.44Å; L191-K528 HydrophobicContact CB-CB 4.4Å; L191-K528 PolarHBondContact N-O 3.33Å; L191-K528 PolarHBondContact O-N 3.17Å; K528-V530 HydrophobicContact CG-CG2 4.24Å
529	Y	98.6	Very high	98.3	Very high	139 Å²	139	68.1 Å²	68.1	55%	0.545	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128	169.4	169.6	-133.3	0	0	0	110.8	A188 L189 C531	A188-Y529 HydrophobicContact CB-CD2 4.41Å; A188-Y529 HydrophobicContact CB-CE2 3.58Å; L189-Y529 CarbonylContact O-C 3.53Å; L189-Y529 WeakPolarHBondContact O-CA 3.32Å; Y529-C531 HydrophobicContact CE1-CB 4.11Å; Y529-C531 HydrophobicContact CE2-CB 4.15Å; Y529-C531 WeakPolarHBondContact OH-CB 3.16Å
530	V	98.7	Very high	98.3	Very high	50 Å²	50	65.3 Å²	65.3	30%	0.303	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	107.9	173.3	-177.2	0	0	0	0	108.3	L189 L191 K528 Y532	L189-V530 HydrophobicContact CB-CB 4.25Å; L189-V530 PolarHBondContact N-O 3.15Å; L189-V530 PolarHBondContact O-N 2.73Å; L191-V530 HydrophobicContact CD1-CG2 4.1Å; L191-V530 HydrophobicContact CG-CG2 4.34Å; K528-V530 HydrophobicContact CG-CG2 4.24Å; V530-Y532 PolarHBondContact O-N 2.85Å
531	C	98.4	Very high	98.3	Very high	55 Å²	55	69.6 Å²	69.6	37%	0.372	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	97.2	169.1	-176.6	0	0	0	0	109	Y529 G533	Y529-C531 HydrophobicContact CE1-CB 4.11Å; Y529-C531 HydrophobicContact CE2-CB 4.15Å; Y529-C531 WeakPolarHBondContact OH-CB 3.16Å; C531-G533 PolarHBondContact O-N 2.86Å
532	Y	98.3	Very high	98.2	Very high	143 Å²	143	74.1 Å²	74.1	56%	0.561	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	95	173.8	-159.2	-53.7	0	0	0	108.7	R186 R187 V530 L535	R186-Y532 CarbonylContact C-O 3.54Å; R186-Y532 WeakPolarHBondContact CA-O 3.49Å; R186-Y532 WeakPolarHBondContact CB-O 3.33Å; R187-Y532 PolarHBondContact N-O 3.24Å; R187-Y532 PolarHBondContact O-N 3.37Å; V530-Y532 PolarHBondContact O-N 2.85Å; Y532-L535 HydrophobicContact CD1-CD2 4Å; Y532-L535 HydrophobicContact CD1-CG 4.35Å; Y532-L535 HydrophobicContact CE1-CD2 3.98Å
533	G	97.3	Very high	98.2	Very high	35 Å²	35	75.4 Å²	75.4	36%	0.361	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-174.8	177.8	0	0	0	0	0	114	D185 C531	D185-G533 CarbonylContact O-C 3.59Å; D185-G533 WeakPolarHBondContact O-CA 3.49Å; C531-G533 PolarHBondContact O-N 2.86Å
534	G	95.2	Very high	98.1	Very high	81 Å²	81	79 Å²	79	84%	0.835	43%	0.43	S	S	*	.			trans	75.9	28.9	179	0	0	0	0	0	113.4	D185	D185-G534 PolarHBondContact O-N 3.2Å
535	L	96.5	Very high	98	Very high	128 Å²	128	85.8 Å²	85.8	67%	0.67	47%	0.468	S	S	*	.			trans	-98	0	-179.7	-57.1	-178.1	0	0	0	113.5	D185 R187 Y532	D185-L535 PolarHBondContact O-N 3.11Å; D185-L535 VanDerWaalsContact O-N 3.11Å; R187-L535 HydrophobicContact CB-CD1 4.38Å; R187-L535 HydrophobicContact CG-CD1 3.57Å; Y532-L535 HydrophobicContact CD1-CD2 4Å; Y532-L535 HydrophobicContact CD1-CG 4.35Å; Y532-L535 HydrophobicContact CE1-CD2 3.98Å

Retrieved 535 of 535 residues in 293.5 ms (Link to these results)

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