A0A087YAD0_POEFO Loading...

Succinate-semialdehyde dehydrogenase

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

AlphaFold DB , UniProt , Accession A0A087YAD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 522 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	S	37.3	Very low	30.9	Very low	161 Å²	161	133.7 Å²	133.7	100%	1.126	84%	0.836	S	S	*	*				0	89.9	0	32.8	0	0	0	0	108
2	S	32.6	Very low	30.7	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	84%	0.838	S	S	*	*				102.3	96.3	112.1	-46.5	0	0	0	0	109.5
3	T	31.7	Very low	31	Very low	141 Å²	141	131.3 Å²	131.3	87%	0.865	84%	0.835	S	S	*	*				53.7	109.8	113.2	54.9	0	0	0	0	112.7
4	G	27.9	Very low	31.1	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	84%	0.843	S	S	*	*				104.1	139.2	53.4	0	0	0	0	0	109.7
5	I	32.3	Very low	31.1	Very low	159 Å²	159	137.1 Å²	137.1	82%	0.815	84%	0.841	S	S	*	*			trans	95.5	110.5	149.1	-61.9	172.9	0	0	0	119.5
6	L	29.5	Very low	31.2	Very low	161 Å²	161	139.4 Å²	139.4	84%	0.843	85%	0.845	S	S	*	*			trans	55.3	125.4	130.1	-74.5	132.3	0	0	0	123.2
7	L	30.2	Very low	31.3	Very low	156 Å²	156	145.7 Å²	145.7	82%	0.817	85%	0.85	S	S	*	*			trans	-58.5	157	144.1	-83	146.3	0	0	0	110.5
8	P	37.2	Very low	31.5	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	84%	0.844	S	S	*	*			cis	-155.4	-178.2	44	39.5	-15.9	0	0	0	118.7
9	A	27	Very low	31.6	Very low	88 Å²	88	149.1 Å²	149.1	73%	0.727	85%	0.849	S	S	*	*			trans	86	136.3	144.1	0	0	0	0	0	122.8
10	M	25.7	Very low	31.7	Very low	196 Å²	196	154.1 Å²	154.1	97%	0.966	85%	0.854	S	S	*	*			trans	72.1	138.7	163.3	-60.7	-175.1	163.7	0	0	117
11	S	27.9	Very low	31.6	Very low	114 Å²	114	154.7 Å²	154.7	80%	0.797	86%	0.855	S	S	*	*			cis	-151.3	141.2	20.5	65.5	0	0	0	0	111.1
12	A	29.4	Very low	31.5	Very low	104 Å²	104	154.7 Å²	154.7	86%	0.86	84%	0.842	S	S	*	*			trans	-113.2	92.4	173.4	0	0	0	0	0	109.6
13	V	34	Very low	31.8	Very low	132 Å²	132	161.5 Å²	161.5	80%	0.8	85%	0.851	S	S	*	*			trans	-141.9	95.5	166.3	-178.8	0	0	0	0	108.6
14	R	32	Very low	32.2	Very low	251 Å²	251	163.9 Å²	163.9	95%	0.947	85%	0.852	S	S	*	*	S	Bend	trans	167.8	78.3	146.2	-97	172.2	173.4	-167.1	-0.9	110.7
15	A	32.3	Very low	32.6	Very low	98 Å²	98	165.8 Å²	165.8	81%	0.81	85%	0.85	S	S	*	*			trans	-163	42.5	156.9	0	0	0	0	0	111
16	L	32	Very low	32.9	Very low	175 Å²	175	160.7 Å²	160.7	92%	0.916	83%	0.828	S	S	*	*			trans	-117.8	63.9	175.7	-95.4	156.2	0	0	0	108.8
17	R	33.8	Very low	33.5	Very low	246 Å²	246	158.4 Å²	158.4	93%	0.928	82%	0.823	S	S	*	*	S	Bend	trans	-169.2	63.2	168.8	-108.1	170.6	-168.2	-154.9	3.8	111.2
18	S	34	Very low	33.8	Very low	106 Å²	106	156.2 Å²	156.2	74%	0.741	82%	0.816	S	S	*	*	S	Bend	trans	-166.7	-4	165.1	44.8	0	0	0	0	115.2
19	R	33.3	Very low	33.5	Very low	250 Å²	250	156.7 Å²	156.7	94%	0.943	81%	0.811	S	S	*	*	S	Bend	trans	-100.6	16.9	178.2	-76.6	-173.2	173.2	-173.7	-1.5	115.7
20	R	33	Very low	33.9	Very low	248 Å²	248	160.7 Å²	160.7	94%	0.936	82%	0.815	S	S	*	*	S	Bend	trans	-118	15.6	-179.9	-96.5	-172.3	-179.4	-164.3	0.8	115.6
21	L	31.2	Very low	34.4	Very low	167 Å²	167	155.1 Å²	155.1	87%	0.874	80%	0.8	S	S	*	*	S	Bend	trans	-123.7	13.1	-178.6	-93.6	153.1	0	0	0	115.3
22	L	34.6	Very low	34.8	Very low	162 Å²	162	154.7 Å²	154.7	85%	0.848	80%	0.797	S	S	*	*	S	Bend	trans	-122.8	18.2	175.1	-79.7	165.2	0	0	0	114.1
23	R	38.7	Very low	35.4	Very low	246 Å²	246	157 Å²	157	93%	0.928	79%	0.794	S	S	*	*	S	Bend	trans	-116.9	66.6	167.8	-87.3	-173.5	173.1	-177.8	-2.2	109.5
24	Q	39.3	Very low	36.3	Very low	191 Å²	191	161.2 Å²	161.2	89%	0.893	80%	0.796	S	S	*	*			trans	-166.4	55.2	162.3	-108.5	175	14.9	0	0	108.5
25	V	38	Very low	37.9	Very low	111 Å²	111	157 Å²	157	67%	0.673	78%	0.78	S	S	*	*			trans	-84	109.1	153.8	-174.5	0	0	0	0	104.7	L29	V25-L29 HydrophobicContact CG1-CB 4.12Å
26	S	38.8	Very low	40	Very low	53 Å²	53	161.3 Å²	161.3	37%	0.371	78%	0.776	S	S	.	*			trans	-50.9	142.7	178.5	176.6	0	0	0	0	111.2	V28 L29	S26-V28 PolarHBondContact O-N 3.09Å; S26-V28 WeakPolarHBondContact OG-CB 3.31Å; S26-V28 WeakPolarHBondContact OG-CG2 3.19Å; S26-V28 PolarHBondContact OG-N 3.33Å; S26-L29 PolarHBondContact O-N 2.51Å
27	P	40.1	Very low	42.6	Very low	112 Å²	112	155.3 Å²	155.3	73%	0.727	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-56.9	-15.9	170.6	-16.5	28.4	0	0	0	112.8	L29	P27-L29 VanDerWaalsContact C-N 3.32Å; P27-L29 PolarHBondContact O-N 3.26Å
28	V	36.7	Very low	45.1	Very low	111 Å²	111	147.4 Å²	147.4	67%	0.673	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-74	-19.7	178.9	-175.7	0	0	0	0	112.6	S26	S26-V28 PolarHBondContact O-N 3.09Å; S26-V28 WeakPolarHBondContact OG-CB 3.31Å; S26-V28 WeakPolarHBondContact OG-CG2 3.19Å; S26-V28 PolarHBondContact OG-N 3.33Å
29	L	31.2	Very low	47.8	Very low	130 Å²	130	144.2 Å²	144.2	68%	0.681	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-92.1	-6.6	-179.9	-103.6	138.4	0	0	0	114.6	V25 S26 P27	V25-L29 HydrophobicContact CG1-CB 4.12Å; S26-L29 PolarHBondContact O-N 2.51Å; P27-L29 VanDerWaalsContact C-N 3.32Å; P27-L29 PolarHBondContact O-N 3.26Å
30	Q	35.2	Very low	50.5	Low	171 Å²	171	137 Å²	137	80%	0.799	68%	0.679	S	S	*	*	S	Bend	trans	-84.8	-13.1	167	-84.9	-179.1	-28.6	0	0	112.8	S32	Q30-S32 VanDerWaalsContact C-N 3.34Å; Q30-S32 PolarHBondContact O-N 3.29Å
31	A	37.7	Very low	53.4	Low	80 Å²	80	126.1 Å²	126.1	66%	0.661	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	20.5	-172.2	0	0	0	0	0	114.9
32	S	36.6	Very low	56.4	Low	104 Å²	104	120.5 Å²	120.5	73%	0.727	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.3	18.5	-178.4	-45.4	0	0	0	0	115.6	Q30 R34	Q30-S32 VanDerWaalsContact C-N 3.34Å; Q30-S32 PolarHBondContact O-N 3.29Å; S32-R34 PolarHBondContact O-N 3.21Å
33	L	40.1	Very low	59.1	Low	152 Å²	152	116.9 Å²	116.9	80%	0.796	61%	0.607	S	S	*	*			trans	-89.1	92.1	161	-73.4	168.7	0	0	0	107	R35	L33-R35 PolarHBondContact O-N 3.12Å
34	R	53.5	Low	61.8	Low	221 Å²	221	107 Å²	107	83%	0.834	58%	0.578	S	S	*	*			trans	-54.8	107.7	162.3	-81.1	-175.8	175	-171.2	-2.4	106.3	S32 Y36	S32-R34 PolarHBondContact O-N 3.21Å; R34-Y36 PolarHBondContact O-N 3.12Å
35	R	66.7	Low	64.5	Low	163 Å²	163	98.1 Å²	98.1	62%	0.615	54%	0.537	S	S	*	.			trans	-58	122.3	169.9	-77.5	-176.6	179.8	172.5	3	106.4	L33 Y37 E362	L33-R35 PolarHBondContact O-N 3.12Å; R35-Y37 HydrophobicContact CB-CE1 4.46Å; R35-Y37 HydrophobicContact CB-CE2 3.82Å; R35-Y37 WeakPolarHBondContact CD-OH 3.45Å; R35-E362 IonicContact CZ-OE1 2.77Å; R35-E362 IonicContact NH1-OE1 3.71Å; R35-E362 PolarHBondContact NH1-OE1 3.38Å; R35-E362 IonicContact NH1-OE2 3.78Å; R35-E362 PolarHBondContact NH1-OE2 3.42Å; R35-E362 VanDerWaalsContact NH1-OE2 3.1Å
36	Y	75.5	Confident	67.3	Low	189 Å²	189	95.4 Å²	95.4	74%	0.741	52%	0.518	S	S	*	.			trans	-88.3	114.7	178.3	-158.7	-89.8	0	0	0	107.4	R34	R34-Y36 PolarHBondContact O-N 3.12Å
37	Y	87.4	Confident	70.2	Confident	48 Å²	48	95.8 Å²	95.8	19%	0.188	51%	0.511	C	S	.	.			trans	-98.4	126.9	173.3	-55.7	-84.1	0	0	0	107.7	R35 T70 H359 S361 E362	R35-Y37 HydrophobicContact CB-CE1 4.46Å; R35-Y37 HydrophobicContact CB-CE2 3.82Å; R35-Y37 WeakPolarHBondContact CD-OH 3.45Å; Y37-T70 HydrophobicContact CD2-CG2 3.65Å; Y37-T70 HydrophobicContact CE2-CG2 4.03Å; Y37-H359 HydrophobicContact CD1-CB 4.25Å; Y37-H359 AromaticContact CD1-CE1 3.93Å; Y37-H359 AromaticContact CD1-CG 3.74Å; Y37-H359 AromaticContact CD1-ND1 3.55Å; Y37-H359 AromaticContact CD2-CD2 3.76Å; Y37-H359 HydrophobicContact CE1-CB 3.65Å; Y37-H359 AromaticContact CE1-CG 3.68Å; Y37-H359 AromaticContact CE1-ND1 3.82Å; Y37-H359 HydrophobicContact CE2-CB 3.99Å; Y37-H359 AromaticContact CE2-CD2 3.96Å; Y37-H359 AromaticContact CE2-CG 3.98Å; Y37-H359 AromaticContact CG-CD2 3.86Å; Y37-H359 AromaticContact CG-CE1 3.9Å; Y37-H359 AromaticContact CG-CG 3.92Å; Y37-H359 AromaticContact CG-ND1 3.91Å; Y37-H359 AromaticContact CG-NE2 3.86Å; Y37-H359 VanDerWaalsContact CZ-CB 3.5Å; Y37-H359 AromaticContact CZ-CG 3.79Å; Y37-S361 WeakPolarHBondContact CD1-OG 3.44Å; Y37-E362 HydrophobicContact CE1-CG 3.94Å; Y37-E362 WeakPolarHBondContact CE1-OE1 3.39Å; Y37-E362 PolarHBondContact OH-OE1 2.94Å
38	S	85.7	Confident	72.9	Confident	80 Å²	80	92.1 Å²	92.1	56%	0.559	49%	0.487	S	S	*	.			trans	-114.6	127.6	179.5	59.7	0	0	0	0	110.2	D40 F131	S38-D40 PolarHBondContact O-N 3.46Å; S38-F131 VanDerWaalsContact C-CZ 3.48Å; S38-F131 WeakPolarHBondContact O-CZ 3.05Å
39	L	91.1	Very high	75.9	Confident	39 Å²	39	89.3 Å²	89.3	20%	0.204	47%	0.467	C	S	.	.			trans	-73.8	94.4	170.9	178.3	60	0	0	0	109.5	V41 L46 R127 F131	L39-V41 HydrophobicContact CD1-CG1 3.7Å; L39-V41 HydrophobicContact CD1-CG2 4.23Å; L39-V41 HydrophobicContact CD2-CG2 4.38Å; L39-V41 HydrophobicContact CG-CG1 4.32Å; L39-V41 HydrophobicContact CG-CG2 3.96Å; L39-L46 HydrophobicContact CD2-CD1 4.13Å; L39-R127 HydrophobicContact CD1-CB 4.42Å; L39-F131 HydrophobicContact CB-CD1 4.17Å; L39-F131 HydrophobicContact CB-CD2 4.33Å; L39-F131 HydrophobicContact CB-CE1 4.3Å; L39-F131 HydrophobicContact CB-CE2 4.48Å; L39-F131 HydrophobicContact CB-CG 4.16Å; L39-F131 HydrophobicContact CB-CZ 4.45Å; L39-F131 HydrophobicContact CD1-CB 4.04Å; L39-F131 HydrophobicContact CD1-CD2 3.63Å; L39-F131 HydrophobicContact CD1-CE2 4.24Å; L39-F131 HydrophobicContact CD1-CG 3.89Å; L39-F131 HydrophobicContact CG-CG 4.49Å
40	D	90.5	Very high	79.1	Confident	100 Å²	100	83.1 Å²	83.1	54%	0.535	43%	0.434	S	S	.	.			trans	-93.9	95.7	176.1	174.9	39.9	0	0	0	110.3	S38 R127	S38-D40 PolarHBondContact O-N 3.46Å; D40-R127 WeakPolarHBondContact O-CD 3.29Å; D40-R127 PolarHBondContact O-NH1 2.8Å; D40-R127 IonicContact OD2-NH1 3.47Å; D40-R127 PolarHBondContact OD2-NH1 2.88Å
41	V	93.3	Very high	82.1	Confident	19 Å²	19	75.3 Å²	75.3	12%	0.115	40%	0.397	C	S	.	.			trans	-138.3	147.8	177.8	-65.8	0	0	0	0	110.4	L39 A43 L46 H124 R127 L128	L39-V41 HydrophobicContact CD1-CG1 3.7Å; L39-V41 HydrophobicContact CD1-CG2 4.23Å; L39-V41 HydrophobicContact CD2-CG2 4.38Å; L39-V41 HydrophobicContact CG-CG1 4.32Å; L39-V41 HydrophobicContact CG-CG2 3.96Å; V41-A43 PolarHBondContact O-N 2.73Å; V41-L46 HydrophobicContact CG2-CB 3.81Å; V41-L46 HydrophobicContact CG2-CD2 4.21Å; V41-L46 HydrophobicContact CG2-CG 4.42Å; V41-H124 HydrophobicContact CG1-CB 4.35Å; V41-H124 WeakPolarHBondContact CG1-O 3.5Å; V41-R127 HydrophobicContact CG1-CB 4.21Å; V41-L128 HydrophobicContact CG1-CB 4.4Å
42	P	94.2	Very high	85	Confident	48 Å²	48	72 Å²	72	31%	0.312	37%	0.369	S	S	.	.			trans	-56.5	137.8	176.3	-25.2	33.5	0	0	0	112.2	A44 L45 L46 H124	P42-A44 PolarHBondContact O-N 2.94Å; P42-L45 HydrophobicContact CG-CD1 4.37Å; P42-L45 PolarHBondContact O-N 3.42Å; P42-L46 PolarHBondContact O-N 3.2Å; P42-H124 VanDerWaalsContact CD-CG 3.49Å
43	A	91.3	Very high	88	Confident	87 Å²	87	68.1 Å²	68.1	72%	0.719	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.1	-179.4	0	0	0	0	0	113.7	V41 L45	V41-A43 PolarHBondContact O-N 2.73Å; A43-L45 VanDerWaalsContact C-N 3.31Å; A43-L45 PolarHBondContact O-N 3.4Å
44	A	94.1	Very high	90.7	Very high	39 Å²	39	61.8 Å²	61.8	32%	0.322	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.4	174.8	0	0	0	0	0	112.8	P42 R47 E229	P42-A44 PolarHBondContact O-N 2.94Å; A44-R47 WeakPolarHBondContact O-CG 3.39Å; A44-R47 PolarHBondContact O-NE 3.05Å; A44-R47 VanDerWaalsContact O-NE 3.13Å; A44-E229 VanDerWaalsContact O-CG 3.26Å; A44-E229 WeakPolarHBondContact O-CG 3.41Å
45	L	96.9	Very high	92.9	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.3	-178.4	-61.5	179	0	0	0	112.8	P42 A43 R47 H121 H124 A226 E229 L230	P42-L45 HydrophobicContact CG-CD1 4.37Å; P42-L45 PolarHBondContact O-N 3.42Å; A43-L45 VanDerWaalsContact C-N 3.31Å; A43-L45 PolarHBondContact O-N 3.4Å; L45-R47 PolarHBondContact O-N 3.25Å; L45-H121 HydrophobicContact CD1-CB 4Å; L45-H124 HydrophobicContact CD1-CB 3.93Å; L45-A226 HydrophobicContact CB-CB 4.47Å; L45-A226 WeakPolarHBondContact O-CB 3.34Å; L45-E229 HydrophobicContact CD2-CG 4.24Å; L45-L230 HydrophobicContact CD2-CD1 4.4Å; L45-L230 HydrophobicContact CD2-CD2 3.7Å; L45-L230 HydrophobicContact CD2-CG 3.94Å
46	L	97.6	Very high	94.4	Very high	54 Å²	54	55 Å²	55	28%	0.283	29%	0.291	S	S	.	.			trans	-88.6	85.2	174.6	-173.8	61.3	0	0	0	110.6	L39 V41 P42 L222	L39-L46 HydrophobicContact CD2-CD1 4.13Å; V41-L46 HydrophobicContact CG2-CB 3.81Å; V41-L46 HydrophobicContact CG2-CD2 4.21Å; V41-L46 HydrophobicContact CG2-CG 4.42Å; P42-L46 PolarHBondContact O-N 3.2Å; L46-L222 HydrophobicContact CD1-CD1 4.04Å; L46-L222 HydrophobicContact CD1-CD2 4.31Å
47	R	98.1	Very high	95.5	Very high	60 Å²	60	48 Å²	48	23%	0.226	27%	0.267	C	S	.	.			trans	-101.1	146.4	-179.5	-66.2	-71.2	-169	-174	1.6	110.7	A44 L45 W56 L225 E229	A44-R47 WeakPolarHBondContact O-CG 3.39Å; A44-R47 PolarHBondContact O-NE 3.05Å; A44-R47 VanDerWaalsContact O-NE 3.13Å; L45-R47 PolarHBondContact O-N 3.25Å; R47-W56 HydrophobicContact CB-CE3 4.16Å; R47-W56 HydrophobicContact CB-CH2 3.73Å; R47-W56 HydrophobicContact CB-CZ2 4.37Å; R47-W56 HydrophobicContact CB-CZ3 3.59Å; R47-W56 HydrophobicContact CG-CD2 4.48Å; R47-W56 HydrophobicContact CG-CE3 4.31Å; R47-W56 HydrophobicContact CG-CH2 3.45Å; R47-W56 VanDerWaalsContact CG-CH2 3.45Å; R47-W56 HydrophobicContact CG-CZ2 3.64Å; R47-W56 HydrophobicContact CG-CZ3 3.8Å; R47-L225 HydrophobicContact CB-CB 3.76Å; R47-L225 HydrophobicContact CB-CD1 4.5Å; R47-L225 WeakPolarHBondContact O-CD1 3.46Å; R47-E229 IonicContact CZ-OE2 3.07Å; R47-E229 VanDerWaalsContact CZ-OE2 3.3Å; R47-E229 IonicContact NE-OE2 2.87Å; R47-E229 PolarHBondContact NE-OE2 3.22Å; R47-E229 VanDerWaalsContact NE-OE2 3.07Å; R47-E229 IonicContact NH2-OE1 3.83Å; R47-E229 IonicContact NH2-OE2 3.3Å; R47-E229 PolarHBondContact NH2-OE2 3.4Å
48	T	98.4	Very high	96	Very high	36 Å²	36	49.7 Å²	49.7	22%	0.221	29%	0.286	C	S	.	.			trans	-127.7	-7.5	-177.5	56.2	0	0	0	0	113.6	T75 Q76 V77 S78	T48-T75 HydrophobicContact CG2-CG2 3.88Å; T48-T75 WeakPolarHBondContact CG2-OG1 3.3Å; T48-Q76 VanDerWaalsContact CB-O 3.24Å; T48-Q76 WeakPolarHBondContact CB-O 3.47Å; T48-Q76 WeakPolarHBondContact CG2-O 3.4Å; T48-V77 CarbonylContact O-C 3.52Å; T48-V77 WeakPolarHBondContact O-CA 3.5Å; T48-S78 PolarHBondContact O-N 3.27Å; T48-S78 PolarHBondContact O-OG 3.15Å
49	Q	98.7	Very high	96.6	Very high	52 Å²	52	46.5 Å²	46.5	24%	0.243	27%	0.265	C	S	.	.	S	Bend	trans	-90.6	156.9	175.6	-61.2	87.7	-2.6	0	0	111.3	W56 V57 L225	Q49-W56 HydrophobicContact CB-CB 3.92Å; Q49-W56 HydrophobicContact CB-CE3 4.18Å; Q49-W56 HydrophobicContact CG-CB 4.32Å; Q49-V57 WeakPolarHBondContact CB-O 3.41Å; Q49-L225 WeakPolarHBondContact O-CD2 3.19Å
50	G	98.6	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	153.2	163.9	0	0	0	0	0	110.7	W56 V57 V243	G50-W56 CarbonylContact O-C 3.52Å; G50-W56 WeakPolarHBondContact O-CA 3.35Å; G50-V57 PolarHBondContact N-O 3.23Å; G50-V57 PolarHBondContact O-N 3.31Å; G50-V243 WeakPolarHBondContact CA-O 3.47Å
51	Y	98.9	Very high	97.2	Very high	6 Å²	6	47.1 Å²	47.1	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	100.9	178.2	-176.3	-107.2	0	0	0	109.9	G54 R55 W56 A228 Q232 V241 N242 V243	Y51-G54 WeakPolarHBondContact OH-CA 3.16Å; Y51-R55 CarbonylContact C-O 3.45Å; Y51-R55 WeakPolarHBondContact CA-O 3.25Å; Y51-W56 AromaticContact CD2-CD2 3.98Å; Y51-W56 HydrophobicContact CD2-CD2 3.98Å; Y51-W56 AromaticContact CD2-CE2 3.85Å; Y51-W56 HydrophobicContact CD2-CE3 4.13Å; Y51-W56 HydrophobicContact CD2-CH2 4.06Å; Y51-W56 AromaticContact CD2-CZ2 3.91Å; Y51-W56 HydrophobicContact CD2-CZ2 3.91Å; Y51-W56 HydrophobicContact CD2-CZ3 4.19Å; Y51-W56 HydrophobicContact CE2-CZ2 4.38Å; Y51-W56 HydrophobicContact CG-CH2 4.37Å; Y51-W56 HydrophobicContact CG-CZ3 4.38Å; Y51-A228 HydrophobicContact CD1-CB 3.76Å; Y51-A228 HydrophobicContact CE1-CB 4.31Å; Y51-A228 HydrophobicContact CG-CB 3.89Å; Y51-Q232 PolarHBondContact OH-OE1 3.14Å; Y51-V241 WeakPolarHBondContact CD1-O 3.49Å; Y51-V241 VanDerWaalsContact CE1-O 3.23Å; Y51-V241 WeakPolarHBondContact CE1-O 3.35Å; Y51-N242 CarbonylContact O-C 3.55Å; Y51-N242 WeakPolarHBondContact O-CA 3.43Å; Y51-N242 WeakPolarHBondContact O-CB 3.35Å; Y51-V243 PolarHBondContact N-O 2.93Å; Y51-V243 PolarHBondContact O-N 2.83Å
52	L	98.7	Very high	97.4	Very high	11 Å²	11	50.1 Å²	50.1	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.6	-171.6	-43.3	-175.5	0	0	0	109.6	G54 R55 V57 E84 A88 V244	L52-G54 PolarHBondContact O-N 2.89Å; L52-G54 VanDerWaalsContact O-N 3.15Å; L52-R55 PolarHBondContact N-O 3.21Å; L52-R55 PolarHBondContact O-N 3.22Å; L52-V57 HydrophobicContact CB-CG2 4.15Å; L52-V57 HydrophobicContact CD1-CB 4.16Å; L52-V57 HydrophobicContact CD1-CG1 4.3Å; L52-V57 HydrophobicContact CD1-CG2 4.2Å; L52-V57 HydrophobicContact CG-CB 4.28Å; L52-V57 HydrophobicContact CG-CG2 4.15Å; L52-E84 HydrophobicContact CD1-CB 4.03Å; L52-E84 HydrophobicContact CD1-CG 4.45Å; L52-A88 HydrophobicContact CD2-CB 3.79Å; L52-V244 HydrophobicContact CD2-CG2 3.85Å
53	G	98.3	Very high	97.6	Very high	23 Å²	23	48.5 Å²	48.5	24%	0.237	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	33.3	174.8	0	0	0	0	0	113.9	N242	G53-N242 PolarHBondContact N-OD1 2.93Å
54	G	98.3	Very high	98	Very high	18 Å²	18	47.3 Å²	47.3	19%	0.186	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	17.6	-177.1	0	0	0	0	0	115.2	Y51 L52	Y51-G54 WeakPolarHBondContact OH-CA 3.16Å; L52-G54 PolarHBondContact O-N 2.89Å; L52-G54 VanDerWaalsContact O-N 3.15Å
55	R	98.4	Very high	98.2	Very high	186 Å²	186	45.5 Å²	45.5	70%	0.702	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.5	-179.3	-54.1	-177.3	-159.6	-179.2	6.2	111.5	Y51 L52 V57	Y51-R55 CarbonylContact C-O 3.45Å; Y51-R55 WeakPolarHBondContact CA-O 3.25Å; L52-R55 PolarHBondContact N-O 3.21Å; L52-R55 PolarHBondContact O-N 3.22Å; R55-V57 HydrophobicContact CB-CG2 4.41Å
56	W	98.7	Very high	98.2	Very high	55 Å²	55	49.3 Å²	49.3	21%	0.208	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.3	170.5	-63.4	105.4	0	0	0	109.7	R47 Q49 G50 Y51 L225 A228 E229	R47-W56 HydrophobicContact CB-CE3 4.16Å; R47-W56 HydrophobicContact CB-CH2 3.73Å; R47-W56 HydrophobicContact CB-CZ2 4.37Å; R47-W56 HydrophobicContact CB-CZ3 3.59Å; R47-W56 HydrophobicContact CG-CD2 4.48Å; R47-W56 HydrophobicContact CG-CE3 4.31Å; R47-W56 HydrophobicContact CG-CH2 3.45Å; R47-W56 VanDerWaalsContact CG-CH2 3.45Å; R47-W56 HydrophobicContact CG-CZ2 3.64Å; R47-W56 HydrophobicContact CG-CZ3 3.8Å; Q49-W56 HydrophobicContact CB-CB 3.92Å; Q49-W56 HydrophobicContact CB-CE3 4.18Å; Q49-W56 HydrophobicContact CG-CB 4.32Å; G50-W56 CarbonylContact O-C 3.52Å; G50-W56 WeakPolarHBondContact O-CA 3.35Å; Y51-W56 AromaticContact CD2-CD2 3.98Å; Y51-W56 HydrophobicContact CD2-CD2 3.98Å; Y51-W56 AromaticContact CD2-CE2 3.85Å; Y51-W56 HydrophobicContact CD2-CE3 4.13Å; Y51-W56 HydrophobicContact CD2-CH2 4.06Å; Y51-W56 AromaticContact CD2-CZ2 3.91Å; Y51-W56 HydrophobicContact CD2-CZ2 3.91Å; Y51-W56 HydrophobicContact CD2-CZ3 4.19Å; Y51-W56 HydrophobicContact CE2-CZ2 4.38Å; Y51-W56 HydrophobicContact CG-CH2 4.37Å; Y51-W56 HydrophobicContact CG-CZ3 4.38Å; W56-L225 HydrophobicContact CH2-CB 4.46Å; W56-L225 WeakPolarHBondContact CH2-O 3.29Å; W56-L225 HydrophobicContact CZ3-CB 4.23Å; W56-L225 HydrophobicContact CZ3-CD2 4.15Å; W56-A228 HydrophobicContact CH2-CB 4.12Å; W56-E229 HydrophobicContact CH2-CB 4.41Å; W56-E229 HydrophobicContact CZ2-CB 4.01Å
57	V	98.4	Very high	98.2	Very high	42 Å²	42	46.9 Å²	46.9	26%	0.255	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.5	-173	-179	0	0	0	0	110.6	Q49 G50 L52 R55	Q49-V57 WeakPolarHBondContact CB-O 3.41Å; G50-V57 PolarHBondContact N-O 3.23Å; G50-V57 PolarHBondContact O-N 3.31Å; L52-V57 HydrophobicContact CB-CG2 4.15Å; L52-V57 HydrophobicContact CD1-CB 4.16Å; L52-V57 HydrophobicContact CD1-CG1 4.3Å; L52-V57 HydrophobicContact CD1-CG2 4.2Å; L52-V57 HydrophobicContact CG-CB 4.28Å; L52-V57 HydrophobicContact CG-CG2 4.15Å; R55-V57 HydrophobicContact CB-CG2 4.41Å
58	S	98.1	Very high	98.2	Very high	84 Å²	84	44.6 Å²	44.6	59%	0.587	26%	0.264	S	S	*	.			trans	-81.9	132	172.2	-59.4	0	0	0	0	110.7
59	A	97.3	Very high	98.1	Very high	14 Å²	14	43.7 Å²	43.7	12%	0.116	26%	0.259	C	S	.	.			trans	-81.3	170	170.6	0	0	0	0	0	111.3	S61 S78 D79	A59-S61 PolarHBondContact O-N 3.5Å; A59-S78 PolarHBondContact N-OG 3.36Å; A59-D79 WeakPolarHBondContact CB-O 3.29Å
60	A	96.4	Very high	97.9	Very high	107 Å²	107	43.6 Å²	43.6	88%	0.884	26%	0.262	S	S	*	.	S	Bend	trans	-67.3	-20.4	178.2	0	0	0	0	0	114.2
61	S	97.9	Very high	97.7	Very high	45 Å²	45	46.1 Å²	46.1	32%	0.315	29%	0.289	S	S	.	.	S	Bend	trans	-135.9	168	176.2	66.9	0	0	0	0	110.8	A59 D79 K250	A59-S61 PolarHBondContact O-N 3.5Å; S61-D79 WeakPolarHBondContact O-CB 2.98Å; S61-D79 PolarHBondContact O-N 3.09Å; S61-K250 PolarHBondContact OG-NZ 2.95Å
62	V	98.6	Very high	97.6	Very high	81 Å²	81	48.9 Å²	48.9	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.4	178.7	-64.2	0	0	0	0	110.4	Q76 V77	V62-Q76 HydrophobicContact CB-CB 4.07Å; V62-Q76 HydrophobicContact CG2-CB 4.01Å; V62-Q76 HydrophobicContact CG2-CG 4.31Å; V62-V77 CarbonylContact C-O 3.58Å; V62-V77 WeakPolarHBondContact CA-O 3.4Å; V62-V77 VanDerWaalsContact CB-O 3.32Å; V62-V77 WeakPolarHBondContact CB-O 3.39Å
63	F	98.6	Very high	97.5	Very high	15 Å²	15	53.4 Å²	53.4	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.5	170.1	67.3	-88.6	0	0	0	110.9	V65 Q76 V77 S78 D79 E218 P221 P245	F63-V65 HydrophobicContact CE2-CG2 4.19Å; F63-Q76 WeakPolarHBondContact O-CA 3.2Å; F63-Q76 PolarHBondContact O-OE1 3.11Å; F63-V77 WeakPolarHBondContact CD1-O 3.44Å; F63-V77 HydrophobicContact CE1-CB 4.09Å; F63-V77 HydrophobicContact CE1-CG1 4.02Å; F63-V77 HydrophobicContact CE2-CB 4.31Å; F63-V77 HydrophobicContact CZ-CB 3.93Å; F63-V77 HydrophobicContact CZ-CG1 3.94Å; F63-V77 PolarHBondContact N-O 3.44Å; F63-V77 PolarHBondContact O-N 3.46Å; F63-S78 WeakPolarHBondContact CE1-O 3.38Å; F63-D79 HydrophobicContact CD1-CB 3.77Å; F63-E218 HydrophobicContact CE2-CB 4.17Å; F63-E218 WeakPolarHBondContact CE2-O 3.33Å; F63-P221 HydrophobicContact CE2-CG 4.05Å; F63-P221 HydrophobicContact CZ-CB 4.35Å; F63-P221 HydrophobicContact CZ-CG 4.02Å; F63-P245 HydrophobicContact CE1-CB 4.28Å; F63-P245 HydrophobicContact CZ-CB 4.25Å
64	P	98.3	Very high	97.4	Very high	62 Å²	62	54.4 Å²	54.4	40%	0.403	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	141	-179.2	31.1	-34.8	0	0	0	111	L66 E73	P64-L66 HydrophobicContact CB-CD2 4.06Å; P64-E73 HydrophobicContact CB-CG 4.05Å
65	V	98.4	Very high	97.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.8	163.8	-176.8	0	0	0	0	107.2	F63 L74 T75 V77 E132 P221 L222	F63-V65 HydrophobicContact CE2-CG2 4.19Å; V65-L74 HydrophobicContact CG1-CD1 4.22Å; V65-L74 WeakPolarHBondContact O-CB 3.48Å; V65-L74 PolarHBondContact O-N 3.08Å; V65-T75 PolarHBondContact N-O 2.95Å; V65-V77 HydrophobicContact CG2-CB 4.35Å; V65-V77 HydrophobicContact CG2-CG2 3.6Å; V65-E132 HydrophobicContact CG1-CB 4.22Å; V65-P221 HydrophobicContact CG2-CG 3.52Å; V65-L222 HydrophobicContact CG1-CD1 4.1Å; V65-L222 HydrophobicContact CG1-CG 4.34Å; V65-L222 HydrophobicContact CG2-CD2 4.45Å; V65-L222 HydrophobicContact CG2-CG 4.46Å
66	L	97.6	Very high	97.3	Very high	84 Å²	84	49.5 Å²	49.5	44%	0.44	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.5	-175.8	-53	-176.9	0	0	0	110.2	P64 P68 Q72 E73	P64-L66 HydrophobicContact CB-CD2 4.06Å; L66-P68 WeakPolarHBondContact O-CD 3.44Å; L66-Q72 CarbonylContact C-O 3.57Å; L66-Q72 WeakPolarHBondContact CA-O 3.41Å; L66-E73 HydrophobicContact CD2-CB 3.91Å; L66-E73 HydrophobicContact CD2-CG 4.26Å
67	D	97.7	Very high	97.3	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	30%	0.295	C	S	.	.			trans	-73.7	116.2	162.7	170.2	-2.2	0	0	0	108.7	A69 T70 G71 Q72 L74 F131 H359	D67-A69 PolarHBondContact O-N 3.22Å; D67-A69 VanDerWaalsContact OD1-CB 3.31Å; D67-A69 WeakPolarHBondContact OD1-CB 3.44Å; D67-A69 PolarHBondContact OD1-N 3.23Å; D67-T70 WeakPolarHBondContact CB-OG1 3.46Å; D67-T70 PolarHBondContact O-N 3.33Å; D67-T70 PolarHBondContact OD1-N 2.96Å; D67-T70 WeakPolarHBondContact OD2-CB 3.35Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.36Å; D67-T70 PolarHBondContact OD2-OG1 2.6Å; D67-G71 VanDerWaalsContact O-CA 3.25Å; D67-G71 WeakPolarHBondContact O-CA 3.19Å; D67-G71 PolarHBondContact O-N 2.97Å; D67-Q72 PolarHBondContact N-O 2.8Å; D67-L74 HydrophobicContact CB-CD1 4.47Å; D67-L74 HydrophobicContact CB-CD2 3.92Å; D67-L74 HydrophobicContact CB-CG 4.13Å; D67-F131 WeakPolarHBondContact CA-O 3.01Å; D67-H359 IonicContact OD1-NE2 2.72Å; D67-H359 IonicContact OD2-CD2 3.1Å; D67-H359 IonicContact OD2-NE2 3.72Å; D67-H359 PolarHBondContact OD2-NE2 3.11Å; D67-H359 VanDerWaalsContact OD2-NE2 3.08Å
68	P	97.5	Very high	97.3	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.078	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.2	-175.9	29	-34.5	0	0	0	113.4	L66 F131 P369 I371	L66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-F131 VanDerWaalsContact CD-O 3.23Å; P68-F131 WeakPolarHBondContact CD-O 3.1Å; P68-P369 HydrophobicContact CB-CG 4.08Å; P68-P369 HydrophobicContact CG-CG 4.08Å; P68-I371 WeakPolarHBondContact CB-O 3.47Å
69	A	96.7	Very high	97.4	Very high	16 Å²	16	41.5 Å²	41.5	13%	0.132	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-38.4	179.4	0	0	0	0	0	111.7	D67 H359 P369 F404	D67-A69 PolarHBondContact O-N 3.22Å; D67-A69 VanDerWaalsContact OD1-CB 3.31Å; D67-A69 WeakPolarHBondContact OD1-CB 3.44Å; D67-A69 PolarHBondContact OD1-N 3.23Å; A69-H359 VanDerWaalsContact CB-CD2 3.44Å; A69-H359 WeakPolarHBondContact CB-CD2 3.49Å; A69-P369 HydrophobicContact CB-CB 4.49Å; A69-P369 HydrophobicContact CB-CG 3.76Å; A69-F404 HydrophobicContact CB-CE2 4.2Å; A69-F404 HydrophobicContact CB-CZ 3.96Å; A69-F404 WeakPolarHBondContact O-CE2 3.3Å
70	T	95.3	Very high	97.4	Very high	50 Å²	50	40.9 Å²	40.9	31%	0.307	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-19.5	-176.5	64.1	0	0	0	0	113.8	Y37 D67 Q72	Y37-T70 HydrophobicContact CD2-CG2 3.65Å; Y37-T70 HydrophobicContact CE2-CG2 4.03Å; D67-T70 WeakPolarHBondContact CB-OG1 3.46Å; D67-T70 PolarHBondContact O-N 3.33Å; D67-T70 PolarHBondContact OD1-N 2.96Å; D67-T70 WeakPolarHBondContact OD2-CB 3.35Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.36Å; D67-T70 PolarHBondContact OD2-OG1 2.6Å; T70-Q72 PolarHBondContact O-N 2.7Å; T70-Q72 WeakPolarHBondContact OG1-CB 3.3Å; T70-Q72 PolarHBondContact OG1-N 3.04Å
71	G	94.3	Very high	97.5	Very high	54 Å²	54	36 Å²	36	56%	0.557	21%	0.214	S	C	*	.			trans	70.5	7.1	-169.5	0	0	0	0	0	114	D67	D67-G71 VanDerWaalsContact O-CA 3.25Å; D67-G71 WeakPolarHBondContact O-CA 3.19Å; D67-G71 PolarHBondContact O-N 2.97Å
72	Q	95	Very high	97.6	Very high	64 Å²	64	36.9 Å²	36.9	30%	0.299	22%	0.219	S	C	.	.			trans	-79.4	145.3	179.6	-65.2	-176	-2.2	0	0	111	L66 D67 T70 L74	L66-Q72 CarbonylContact C-O 3.57Å; L66-Q72 WeakPolarHBondContact CA-O 3.41Å; D67-Q72 PolarHBondContact N-O 2.8Å; T70-Q72 PolarHBondContact O-N 2.7Å; T70-Q72 WeakPolarHBondContact OG1-CB 3.3Å; T70-Q72 PolarHBondContact OG1-N 3.04Å; Q72-L74 PolarHBondContact O-N 3.37Å
73	E	96.7	Very high	97.5	Very high	106 Å²	106	35.7 Å²	35.7	50%	0.495	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.3	173.7	-173.3	176.6	129.3	0	0	110.3	P64 L66 Q76	P64-E73 HydrophobicContact CB-CG 4.05Å; L66-E73 HydrophobicContact CD2-CB 3.91Å; L66-E73 HydrophobicContact CD2-CG 4.26Å; E73-Q76 VanDerWaalsContact OE1-CG 3.28Å; E73-Q76 WeakPolarHBondContact OE1-CG 3.24Å; E73-Q76 PolarHBondContact OE1-NE2 2.95Å; E73-Q76 PolarHBondContact OE2-NE2 3.18Å; E73-Q76 VanDerWaalsContact OE2-NE2 3.15Å
74	L	96.6	Very high	97.5	Very high	44 Å²	44	36.7 Å²	36.7	23%	0.23	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-49.8	173.5	-64	177.9	0	0	0	110.6	V65 D67 Q72 F131 E132 L222	V65-L74 HydrophobicContact CG1-CD1 4.22Å; V65-L74 WeakPolarHBondContact O-CB 3.48Å; V65-L74 PolarHBondContact O-N 3.08Å; D67-L74 HydrophobicContact CB-CD1 4.47Å; D67-L74 HydrophobicContact CB-CD2 3.92Å; D67-L74 HydrophobicContact CB-CG 4.13Å; Q72-L74 PolarHBondContact O-N 3.37Å; L74-F131 HydrophobicContact CD1-CB 3.97Å; L74-F131 HydrophobicContact CD2-CB 4.24Å; L74-F131 HydrophobicContact CD2-CD1 3.81Å; L74-F131 HydrophobicContact CD2-CG 4.45Å; L74-E132 HydrophobicContact CD1-CB 4.38Å; L74-L222 HydrophobicContact CD1-CD1 4.48Å
75	T	97.6	Very high	97.6	Very high	34 Å²	34	33.7 Å²	33.7	21%	0.209	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	175.4	-178.6	-161.6	0	0	0	0	111.3	T48 V65 V77 L222	T48-T75 HydrophobicContact CG2-CG2 3.88Å; T48-T75 WeakPolarHBondContact CG2-OG1 3.3Å; V65-T75 PolarHBondContact N-O 2.95Å; T75-V77 HydrophobicContact CG2-CG2 4.18Å; T75-L222 HydrophobicContact CG2-CD1 4.15Å; T75-L222 HydrophobicContact CG2-CD2 3.71Å
76	Q	98.2	Very high	97.6	Very high	66 Å²	66	37 Å²	37	31%	0.308	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.6	173.7	-65.8	-78.6	-10.6	0	0	109.4	T48 V62 F63 E73	T48-Q76 VanDerWaalsContact CB-O 3.24Å; T48-Q76 WeakPolarHBondContact CB-O 3.47Å; T48-Q76 WeakPolarHBondContact CG2-O 3.4Å; V62-Q76 HydrophobicContact CB-CB 4.07Å; V62-Q76 HydrophobicContact CG2-CB 4.01Å; V62-Q76 HydrophobicContact CG2-CG 4.31Å; F63-Q76 WeakPolarHBondContact O-CA 3.2Å; F63-Q76 PolarHBondContact O-OE1 3.11Å; E73-Q76 VanDerWaalsContact OE1-CG 3.28Å; E73-Q76 WeakPolarHBondContact OE1-CG 3.24Å; E73-Q76 PolarHBondContact OE1-NE2 2.95Å; E73-Q76 PolarHBondContact OE2-NE2 3.18Å; E73-Q76 VanDerWaalsContact OE2-NE2 3.15Å
77	V	98.6	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.2	179.4	177	0	0	0	0	110.1	T48 V62 F63 V65 T75 D79 P221 L222 L225 P245	T48-V77 CarbonylContact O-C 3.52Å; T48-V77 WeakPolarHBondContact O-CA 3.5Å; V62-V77 CarbonylContact C-O 3.58Å; V62-V77 WeakPolarHBondContact CA-O 3.4Å; V62-V77 VanDerWaalsContact CB-O 3.32Å; V62-V77 WeakPolarHBondContact CB-O 3.39Å; F63-V77 WeakPolarHBondContact CD1-O 3.44Å; F63-V77 HydrophobicContact CE1-CB 4.09Å; F63-V77 HydrophobicContact CE1-CG1 4.02Å; F63-V77 HydrophobicContact CE2-CB 4.31Å; F63-V77 HydrophobicContact CZ-CB 3.93Å; F63-V77 HydrophobicContact CZ-CG1 3.94Å; F63-V77 PolarHBondContact N-O 3.44Å; F63-V77 PolarHBondContact O-N 3.46Å; V65-V77 HydrophobicContact CG2-CB 4.35Å; V65-V77 HydrophobicContact CG2-CG2 3.6Å; T75-V77 HydrophobicContact CG2-CG2 4.18Å; V77-D79 PolarHBondContact O-N 2.85Å; V77-P221 HydrophobicContact CB-CG 4.44Å; V77-P221 HydrophobicContact CG1-CB 4.44Å; V77-P221 HydrophobicContact CG1-CG 4.36Å; V77-P221 HydrophobicContact CG2-CG 4.03Å; V77-L222 HydrophobicContact CG2-CD2 3.57Å; V77-L225 HydrophobicContact CG1-CD1 4.07Å; V77-P245 HydrophobicContact CG1-CB 3.66Å; V77-P245 HydrophobicContact CG1-CG 3.74Å
78	S	98.5	Very high	97.7	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	126.9	175.2	-69.3	0	0	0	0	111	T48 A59 F63 C80 P245	T48-S78 PolarHBondContact O-N 3.27Å; T48-S78 PolarHBondContact O-OG 3.15Å; A59-S78 PolarHBondContact N-OG 3.36Å; F63-S78 WeakPolarHBondContact CE1-O 3.38Å; S78-C80 PolarHBondContact O-N 2.86Å; S78-P245 WeakPolarHBondContact O-CG 3.46Å
79	D	98.7	Very high	97.8	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	21%	0.213	C	C	.	.			trans	-93.8	80.5	177.6	-167.3	10.1	0	0	0	109.6	A59 S61 F63 V77 C246 S247 K250	A59-D79 WeakPolarHBondContact CB-O 3.29Å; S61-D79 WeakPolarHBondContact O-CB 2.98Å; S61-D79 PolarHBondContact O-N 3.09Å; F63-D79 HydrophobicContact CD1-CB 3.77Å; V77-D79 PolarHBondContact O-N 2.85Å; D79-C246 WeakPolarHBondContact OD1-CA 3.38Å; D79-S247 VanDerWaalsContact CG-OG 3.29Å; D79-S247 WeakPolarHBondContact OD1-CB 3.16Å; D79-S247 PolarHBondContact OD1-N 2.81Å; D79-S247 PolarHBondContact OD1-OG 3.09Å; D79-S247 VanDerWaalsContact OD1-OG 3.12Å; D79-S247 WeakPolarHBondContact OD2-CB 3.49Å; D79-S247 PolarHBondContact OD2-OG 3.3Å; D79-K250 HydrophobicContact CB-CD 4.49Å; D79-K250 PolarHBondContact O-NZ 3.03Å; D79-K250 WeakPolarHBondContact OD1-CD 3.33Å; D79-K250 WeakPolarHBondContact OD2-CD 3.41Å; D79-K250 WeakPolarHBondContact OD2-CE 3.2Å; D79-K250 IonicContact OD2-NZ 2.85Å
80	C	98.8	Very high	97.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	22%	0.224	C	C	.	.			trans	-59.8	140.8	-179.2	-66.6	0	0	0	0	111.4	S78 E84 V244 P245 C246 K250 V254	S78-C80 PolarHBondContact O-N 2.86Å; C80-E84 HydrophobicContact CB-CB 3.82Å; C80-E84 HydrophobicContact CB-CG 4.3Å; C80-V244 HydrophobicContact CB-CG1 3.38Å; C80-P245 WeakPolarHBondContact CB-O 3.44Å; C80-P245 PolarHBondContact N-O 2.71Å; C80-C246 WeakPolarHBondContact O-CB 3.37Å; C80-K250 WeakPolarHBondContact O-CD 3.46Å; C80-V254 WeakPolarHBondContact O-CG2 3.32Å
81	G	98.6	Very high	98	Very high	6 Å²	6	38.3 Å²	38.3	6%	0.062	22%	0.217	C	C	.	.			trans	-107.8	-168.6	175.7	0	0	0	0	0	112.9	A83 E84 A85	G81-A83 PolarHBondContact O-N 3.43Å; G81-E84 WeakPolarHBondContact CA-OE2 3.48Å; G81-E84 PolarHBondContact N-OE2 3.19Å; G81-E84 PolarHBondContact O-N 3.35Å; G81-A85 WeakPolarHBondContact O-CB 3.29Å; G81-A85 PolarHBondContact O-N 2.95Å
82	P	98.4	Very high	98.3	Very high	63 Å²	63	35.7 Å²	35.7	41%	0.409	19%	0.19	S	C	.	.	H	α-helix	trans	-55.9	-33.8	177	-29.2	38	0	0	0	114.2	K86 A253 V257	P82-K86 WeakPolarHBondContact O-CB 3.36Å; P82-K86 PolarHBondContact O-N 2.91Å; P82-A253 HydrophobicContact CG-CB 3.82Å; P82-V257 HydrophobicContact CB-CG2 3.85Å
83	A	98.4	Very high	98.5	Very high	56 Å²	56	37.2 Å²	37.2	46%	0.463	19%	0.194	S	C	.	.	H	α-helix	trans	-67.4	-49.4	-179.6	0	0	0	0	0	111.6	G81 A85 K86 Q87	G81-A83 PolarHBondContact O-N 3.43Å; A83-A85 VanDerWaalsContact C-N 3.31Å; A83-A85 PolarHBondContact O-N 3.41Å; A83-K86 PolarHBondContact O-N 3.45Å; A83-Q87 WeakPolarHBondContact O-CG 3.48Å; A83-Q87 PolarHBondContact O-N 2.9Å
84	E	98.8	Very high	98.6	Very high	35 Å²	35	39 Å²	39	16%	0.164	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-37.5	176.5	-66.1	75.8	-162.3	0	0	111.4	L52 C80 G81 K86 Q87 A88	L52-E84 HydrophobicContact CD1-CB 4.03Å; L52-E84 HydrophobicContact CD1-CG 4.45Å; C80-E84 HydrophobicContact CB-CB 3.82Å; C80-E84 HydrophobicContact CB-CG 4.3Å; G81-E84 WeakPolarHBondContact CA-OE2 3.48Å; G81-E84 PolarHBondContact N-OE2 3.19Å; G81-E84 PolarHBondContact O-N 3.35Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 2.93Å; E84-Q87 PolarHBondContact O-N 3.44Å; E84-A88 WeakPolarHBondContact O-CB 3.45Å; E84-A88 PolarHBondContact O-N 2.88Å
85	A	98.8	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-42.4	174.5	0	0	0	0	0	112	G81 A83 A88 V89 V244 V254 V257 L258	G81-A85 WeakPolarHBondContact O-CB 3.29Å; G81-A85 PolarHBondContact O-N 2.95Å; A83-A85 VanDerWaalsContact C-N 3.31Å; A83-A85 PolarHBondContact O-N 3.41Å; A85-A88 WeakPolarHBondContact O-CB 3.14Å; A85-A88 PolarHBondContact O-N 2.81Å; A85-V89 WeakPolarHBondContact O-CG2 3.35Å; A85-V89 PolarHBondContact O-N 2.64Å; A85-V89 VanDerWaalsContact O-N 3.09Å; A85-V244 HydrophobicContact CB-CG1 4.33Å; A85-V254 HydrophobicContact CB-CG1 4.04Å; A85-V257 HydrophobicContact CB-CB 4.12Å; A85-V257 HydrophobicContact CB-CG1 3.95Å; A85-L258 HydrophobicContact CB-CD2 3.96Å; A85-L258 HydrophobicContact CB-CG 4.25Å
86	K	98.8	Very high	98.7	Very high	69 Å²	69	36.8 Å²	36.8	30%	0.3	19%	0.19	S	C	.	.	H	α-helix	trans	-64.8	-46	176.6	-179	54.5	166.9	159.7	0	111.6	P82 A83 E84 A88 V89 E90 V257 D261	P82-K86 WeakPolarHBondContact O-CB 3.36Å; P82-K86 PolarHBondContact O-N 2.91Å; A83-K86 PolarHBondContact O-N 3.45Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 2.93Å; K86-A88 VanDerWaalsContact C-N 3.28Å; K86-A88 PolarHBondContact O-N 3.45Å; K86-V89 PolarHBondContact O-N 2.89Å; K86-V89 VanDerWaalsContact O-N 3.17Å; K86-E90 HydrophobicContact CD-CG 4.37Å; K86-E90 WeakPolarHBondContact CE-OE1 3.2Å; K86-E90 IonicContact NZ-OE1 3.84Å; K86-E90 WeakPolarHBondContact O-CG 3.38Å; K86-E90 PolarHBondContact O-N 3.03Å; K86-V257 HydrophobicContact CB-CG1 4.22Å; K86-D261 VanDerWaalsContact CD-OD2 3.27Å; K86-D261 WeakPolarHBondContact CD-OD2 3.31Å; K86-D261 WeakPolarHBondContact CE-OD2 3.06Å; K86-D261 IonicContact NZ-OD1 3.68Å; K86-D261 IonicContact NZ-OD2 3.08Å; K86-D261 PolarHBondContact NZ-OD2 2.92Å
87	Q	98.8	Very high	98.8	Very high	97 Å²	97	37 Å²	37	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-40.4	174.9	-69.8	171	15.9	0	0	111.9	A83 E84 E90 A91	A83-Q87 WeakPolarHBondContact O-CG 3.48Å; A83-Q87 PolarHBondContact O-N 2.9Å; E84-Q87 PolarHBondContact O-N 3.44Å; Q87-E90 PolarHBondContact O-N 3.38Å; Q87-A91 WeakPolarHBondContact O-CB 3.46Å; Q87-A91 PolarHBondContact O-N 2.92Å
88	A	98.9	Very high	98.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-41.9	177	0	0	0	0	0	112.3	L52 E84 A85 K86 A92 V213 N242 V244	L52-A88 HydrophobicContact CD2-CB 3.79Å; E84-A88 WeakPolarHBondContact O-CB 3.45Å; E84-A88 PolarHBondContact O-N 2.88Å; A85-A88 WeakPolarHBondContact O-CB 3.14Å; A85-A88 PolarHBondContact O-N 2.81Å; K86-A88 VanDerWaalsContact C-N 3.28Å; K86-A88 PolarHBondContact O-N 3.45Å; A88-A92 VanDerWaalsContact O-CB 3.32Å; A88-A92 WeakPolarHBondContact O-CB 3.47Å; A88-A92 PolarHBondContact O-N 3.16Å; A88-V213 HydrophobicContact CB-CG1 3.73Å; A88-V213 HydrophobicContact CB-CG2 4.23Å; A88-N242 HydrophobicContact CB-CB 4.23Å; A88-V244 HydrophobicContact CB-CG2 3.57Å
89	V	98.9	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-43.8	177	169.4	0	0	0	0	111.1	A85 K86 A92 Y93 V213 L258 D261 L263 V264	A85-V89 WeakPolarHBondContact O-CG2 3.35Å; A85-V89 PolarHBondContact O-N 2.64Å; A85-V89 VanDerWaalsContact O-N 3.09Å; K86-V89 PolarHBondContact O-N 2.89Å; K86-V89 VanDerWaalsContact O-N 3.17Å; V89-A92 PolarHBondContact O-N 2.84Å; V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 2.9Å; V89-V213 HydrophobicContact CG2-CG2 4.18Å; V89-L258 HydrophobicContact CG2-CD2 3.72Å; V89-D261 HydrophobicContact CG1-CB 4.24Å; V89-L263 HydrophobicContact CG1-CB 3.79Å; V89-L263 HydrophobicContact CG1-CD1 4.35Å; V89-V264 HydrophobicContact CG1-CG2 3.82Å; V89-V264 HydrophobicContact CG2-CG2 3.92Å
90	E	98.9	Very high	98.7	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.36	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-47.8	177.2	-72	169.1	171.8	0	0	111.1	K86 Q87 A92 Y93 E94 L263	K86-E90 HydrophobicContact CD-CG 4.37Å; K86-E90 WeakPolarHBondContact CE-OE1 3.2Å; K86-E90 IonicContact NZ-OE1 3.84Å; K86-E90 WeakPolarHBondContact O-CG 3.38Å; K86-E90 PolarHBondContact O-N 3.03Å; Q87-E90 PolarHBondContact O-N 3.38Å; E90-A92 VanDerWaalsContact C-N 3.32Å; E90-A92 PolarHBondContact O-N 3.34Å; E90-Y93 PolarHBondContact O-N 3.17Å; E90-Y93 VanDerWaalsContact O-N 3.14Å; E90-E94 WeakPolarHBondContact O-CG 3.43Å; E90-E94 PolarHBondContact O-N 3.45Å; E90-L263 HydrophobicContact CG-CD1 4.27Å
91	A	98.9	Very high	98.7	Very high	19 Å²	19	50.1 Å²	50.1	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-39.8	175.7	0	0	0	0	0	112.5	Q87 A95	Q87-A91 WeakPolarHBondContact O-CB 3.46Å; Q87-A91 PolarHBondContact O-N 2.92Å; A91-A95 WeakPolarHBondContact O-CB 3.45Å; A91-A95 PolarHBondContact O-N 2.88Å
92	A	98.9	Very high	98.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-40	175.4	0	0	0	0	0	112.4	A88 V89 E90 F96 V184 T211 V213 G239	A88-A92 VanDerWaalsContact O-CB 3.32Å; A88-A92 WeakPolarHBondContact O-CB 3.47Å; A88-A92 PolarHBondContact O-N 3.16Å; V89-A92 PolarHBondContact O-N 2.84Å; E90-A92 VanDerWaalsContact C-N 3.32Å; E90-A92 PolarHBondContact O-N 3.34Å; A92-F96 WeakPolarHBondContact O-CB 3.47Å; A92-F96 PolarHBondContact O-N 3.4Å; A92-V184 HydrophobicContact CB-CG1 3.7Å; A92-V184 HydrophobicContact CB-CG2 4.17Å; A92-T211 WeakPolarHBondContact O-CB 3.48Å; A92-T211 PolarHBondContact O-OG1 3.09Å; A92-V213 HydrophobicContact CB-CG2 3.79Å; A92-G239 VanDerWaalsContact CA-O 3.31Å; A92-G239 WeakPolarHBondContact CA-O 3.45Å
93	Y	98.9	Very high	98.7	Very high	95 Å²	95	51.9 Å²	51.9	37%	0.373	27%	0.267	S	S	.	.	H	α-helix	trans	-69.9	-40.2	179.2	-175.2	-97.1	0	0	0	112.5	V89 E90 F96 Q97 V184 L263	V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 2.9Å; E90-Y93 PolarHBondContact O-N 3.17Å; E90-Y93 VanDerWaalsContact O-N 3.14Å; Y93-F96 WeakPolarHBondContact O-CB 3.06Å; Y93-F96 PolarHBondContact O-N 3.31Å; Y93-Q97 PolarHBondContact O-N 3.06Å; Y93-Q97 PolarHBondContact O-NE2 2.89Å; Y93-V184 VanDerWaalsContact CA-CG2 3.48Å; Y93-V184 HydrophobicContact CD2-CG2 4.04Å; Y93-V184 HydrophobicContact CG-CG2 4.46Å; Y93-L263 HydrophobicContact CD1-CD1 4.3Å; Y93-L263 HydrophobicContact CD1-CD2 4.05Å; Y93-L263 HydrophobicContact CD2-CB 3.92Å; Y93-L263 HydrophobicContact CD2-CD2 3.87Å; Y93-L263 HydrophobicContact CD2-CG 4.35Å; Y93-L263 HydrophobicContact CE1-CD2 4.06Å; Y93-L263 HydrophobicContact CE2-CD2 3.87Å; Y93-L263 HydrophobicContact CG-CB 4.14Å; Y93-L263 HydrophobicContact CG-CD1 4.08Å; Y93-L263 HydrophobicContact CG-CD2 3.96Å; Y93-L263 HydrophobicContact CG-CG 4.28Å
94	E	98.9	Very high	98.7	Very high	143 Å²	143	50.7 Å²	50.7	67%	0.668	26%	0.257	S	S	*	.	H	α-helix	trans	-62.2	-49.4	173.8	-73	178.4	179.4	0	0	111.1	E90 F96 Q97	E90-E94 WeakPolarHBondContact O-CG 3.43Å; E90-E94 PolarHBondContact O-N 3.45Å; E94-F96 VanDerWaalsContact C-N 3.26Å; E94-F96 PolarHBondContact O-N 2.89Å; E94-Q97 WeakPolarHBondContact O-CB 3.34Å; E94-Q97 PolarHBondContact O-N 2.93Å; E94-Q97 VanDerWaalsContact O-N 3.14Å
95	A	98.9	Very high	98.7	Very high	11 Å²	11	55.4 Å²	55.4	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-33.8	177.1	0	0	0	0	0	112.5	A91 Q97 S98 W99 T211 P238 G239 V240	A91-A95 WeakPolarHBondContact O-CB 3.45Å; A91-A95 PolarHBondContact O-N 2.88Å; A95-Q97 PolarHBondContact O-N 3.11Å; A95-S98 PolarHBondContact O-N 3.05Å; A95-S98 PolarHBondContact O-OG 2.87Å; A95-S98 VanDerWaalsContact O-OG 3.12Å; A95-W99 VanDerWaalsContact O-CB 3.23Å; A95-W99 WeakPolarHBondContact O-CB 3.48Å; A95-W99 PolarHBondContact O-N 2.95Å; A95-T211 HydrophobicContact CB-CG2 4.22Å; A95-P238 WeakPolarHBondContact CB-O 3.42Å; A95-G239 VanDerWaalsContact CB-C 3.48Å; A95-V240 HydrophobicContact CB-CG2 4.22Å
96	F	98.9	Very high	98.7	Very high	22 Å²	22	60.2 Å²	60.2	10%	0.096	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-33.7	177.2	173.6	-115.1	0	0	0	112.5	A92 Y93 E94 S98 W99 K100 P181 G209 T211	A92-F96 WeakPolarHBondContact O-CB 3.47Å; A92-F96 PolarHBondContact O-N 3.4Å; Y93-F96 WeakPolarHBondContact O-CB 3.06Å; Y93-F96 PolarHBondContact O-N 3.31Å; E94-F96 VanDerWaalsContact C-N 3.26Å; E94-F96 PolarHBondContact O-N 2.89Å; F96-S98 PolarHBondContact O-N 3.31Å; F96-W99 PolarHBondContact O-N 3Å; F96-K100 HydrophobicContact CD1-CD 4.36Å; F96-K100 HydrophobicContact CD2-CB 4.07Å; F96-K100 HydrophobicContact CE1-CD 3.89Å; F96-K100 HydrophobicContact CE2-CB 3.61Å; F96-K100 HydrophobicContact CE2-CD 4.17Å; F96-K100 HydrophobicContact CE2-CG 4.49Å; F96-K100 HydrophobicContact CZ-CB 4.03Å; F96-K100 HydrophobicContact CZ-CD 3.77Å; F96-K100 WeakPolarHBondContact O-CB 3.35Å; F96-K100 WeakPolarHBondContact O-CD 3.46Å; F96-K100 VanDerWaalsContact O-CG 3.28Å; F96-K100 WeakPolarHBondContact O-CG 3.42Å; F96-K100 PolarHBondContact O-N 2.79Å; F96-K100 VanDerWaalsContact O-N 3.11Å; F96-P181 HydrophobicContact CE2-CB 4.05Å; F96-P181 HydrophobicContact CE2-CG 3.93Å; F96-P181 HydrophobicContact CZ-CG 4.31Å; F96-G209 WeakPolarHBondContact CE2-O 3.28Å; F96-T211 HydrophobicContact CB-CG2 3.9Å
97	Q	98.6	Very high	98.7	Very high	71 Å²	71	58 Å²	58	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-32.3	-178.1	-58.7	-49.4	-40.3	0	0	112.9	Y93 E94 A95 K100 H101	Y93-Q97 PolarHBondContact O-N 3.06Å; Y93-Q97 PolarHBondContact O-NE2 2.89Å; E94-Q97 WeakPolarHBondContact O-CB 3.34Å; E94-Q97 PolarHBondContact O-N 2.93Å; E94-Q97 VanDerWaalsContact O-N 3.14Å; A95-Q97 PolarHBondContact O-N 3.11Å; Q97-K100 WeakPolarHBondContact O-CE 3.48Å; Q97-H101 PolarHBondContact O-CD2 3.07Å
98	S	98.3	Very high	98.7	Very high	77 Å²	77	54.1 Å²	54.1	54%	0.538	27%	0.273	S	S	.	.	H	α-helix	trans	-94.3	-42.1	174.9	58.6	0	0	0	0	112.2	A95 F96 K100 H101 T102	A95-S98 PolarHBondContact O-N 3.05Å; A95-S98 PolarHBondContact O-OG 2.87Å; A95-S98 VanDerWaalsContact O-OG 3.12Å; F96-S98 PolarHBondContact O-N 3.31Å; S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.15Å; S98-H101 WeakPolarHBondContact O-CB 3.35Å; S98-H101 PolarHBondContact O-N 3.35Å; S98-T102 PolarHBondContact O-N 2.84Å
99	W	98.8	Very high	98.7	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-35.1	-175.6	-178.8	-116	0	0	0	113.8	A95 F96 H101 T102 R107 L110 L206 C210 T211 P237 V240	A95-W99 VanDerWaalsContact O-CB 3.23Å; A95-W99 WeakPolarHBondContact O-CB 3.48Å; A95-W99 PolarHBondContact O-N 2.95Å; F96-W99 PolarHBondContact O-N 3Å; W99-H101 PolarHBondContact O-N 2.87Å; W99-H101 VanDerWaalsContact O-N 3.12Å; W99-T102 HydrophobicContact CE3-CG2 4.13Å; W99-T102 HydrophobicContact CZ3-CG2 3.92Å; W99-T102 WeakPolarHBondContact O-CB 3.35Å; W99-T102 PolarHBondContact O-N 3.2Å; W99-T102 VanDerWaalsContact O-N 3.1Å; W99-T102 PolarHBondContact O-OG1 2.9Å; W99-R107 HydrophobicContact CH2-CB 4.01Å; W99-R107 HydrophobicContact CH2-CG 3.58Å; W99-R107 HydrophobicContact CZ2-CB 3.99Å; W99-R107 VanDerWaalsContact CZ2-CD 3.47Å; W99-R107 HydrophobicContact CZ2-CG 3.54Å; W99-R107 HydrophobicContact CZ3-CG 4.09Å; W99-L110 HydrophobicContact CH2-CD1 3.65Å; W99-L110 HydrophobicContact CZ3-CD1 3.66Å; W99-L206 HydrophobicContact CZ2-CB 4.3Å; W99-L206 HydrophobicContact CZ2-CG 4.24Å; W99-C210 VanDerWaalsContact CD1-O 3.25Å; W99-C210 PolarHBondContact NE1-O 3.05Å; W99-C210 VanDerWaalsContact NE1-O 3.11Å; W99-T211 HydrophobicContact CB-CG2 4.22Å; W99-T211 HydrophobicContact CG-CG2 4.31Å; W99-P237 HydrophobicContact CE3-CG 4.09Å; W99-P237 HydrophobicContact CZ3-CG 4.03Å; W99-V240 HydrophobicContact CB-CG2 4.04Å; W99-V240 HydrophobicContact CD2-CG1 4.07Å; W99-V240 HydrophobicContact CD2-CG2 3.89Å; W99-V240 HydrophobicContact CE3-CG2 4.1Å; W99-V240 HydrophobicContact CG-CG1 4.28Å; W99-V240 HydrophobicContact CG-CG2 3.88Å; W99-V240 HydrophobicContact CZ2-CG1 4.17Å
100	K	98.4	Very high	98.7	Very high	67 Å²	67	58.6 Å²	58.6	29%	0.291	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.1	175.7	74.4	-168.6	-177.7	-171.2	0	113.4	F96 Q97 S98 P181	F96-K100 HydrophobicContact CD1-CD 4.36Å; F96-K100 HydrophobicContact CD2-CB 4.07Å; F96-K100 HydrophobicContact CE1-CD 3.89Å; F96-K100 HydrophobicContact CE2-CB 3.61Å; F96-K100 HydrophobicContact CE2-CD 4.17Å; F96-K100 HydrophobicContact CE2-CG 4.49Å; F96-K100 HydrophobicContact CZ-CB 4.03Å; F96-K100 HydrophobicContact CZ-CD 3.77Å; F96-K100 WeakPolarHBondContact O-CB 3.35Å; F96-K100 WeakPolarHBondContact O-CD 3.46Å; F96-K100 VanDerWaalsContact O-CG 3.28Å; F96-K100 WeakPolarHBondContact O-CG 3.42Å; F96-K100 PolarHBondContact O-N 2.79Å; F96-K100 VanDerWaalsContact O-N 3.11Å; Q97-K100 WeakPolarHBondContact O-CE 3.48Å; S98-K100 VanDerWaalsContact C-N 3.31Å; S98-K100 PolarHBondContact O-N 3.15Å; K100-P181 HydrophobicContact CB-CG 4.07Å
101	H	98.1	Very high	98.7	Very high	140 Å²	140	55 Å²	55	65%	0.648	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-13.9	178.1	-62.1	-57.5	0	0	0	113.4	Q97 S98 W99 T103	Q97-H101 PolarHBondContact O-CD2 3.07Å; S98-H101 WeakPolarHBondContact O-CB 3.35Å; S98-H101 PolarHBondContact O-N 3.35Å; W99-H101 PolarHBondContact O-N 2.87Å; W99-H101 VanDerWaalsContact O-N 3.12Å; H101-T103 PolarHBondContact O-N 3.43Å
102	T	98.5	Very high	98.7	Very high	34 Å²	34	58.8 Å²	58.8	21%	0.209	29%	0.292	C	S	.	.	S	Bend	trans	-57.9	134	169.8	-57.5	0	0	0	0	109.1	S98 W99 E106 R107	S98-T102 PolarHBondContact O-N 2.84Å; W99-T102 HydrophobicContact CE3-CG2 4.13Å; W99-T102 HydrophobicContact CZ3-CG2 3.92Å; W99-T102 WeakPolarHBondContact O-CB 3.35Å; W99-T102 PolarHBondContact O-N 3.2Å; W99-T102 VanDerWaalsContact O-N 3.1Å; W99-T102 PolarHBondContact O-OG1 2.9Å; T102-E106 HydrophobicContact CG2-CB 3.62Å; T102-R107 HydrophobicContact CG2-CG 3.83Å; T102-R107 PolarHBondContact O-NH1 3.25Å
103	T	98.8	Very high	98.7	Very high	72 Å²	72	64 Å²	64	44%	0.442	32%	0.315	S	S	.	.			trans	-66.3	150.7	-173.7	67	0	0	0	0	111.1	H101 K105 E106 R107	H101-T103 PolarHBondContact O-N 3.43Å; T103-K105 PolarHBondContact O-N 3.06Å; T103-K105 VanDerWaalsContact O-N 3.11Å; T103-E106 WeakPolarHBondContact CB-OE2 3.09Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.31Å; T103-E106 PolarHBondContact N-OE2 3.5Å; T103-E106 PolarHBondContact O-N 3.13Å; T103-E106 VanDerWaalsContact OG1-CD 3.22Å; T103-E106 VanDerWaalsContact OG1-CG 3.28Å; T103-E106 WeakPolarHBondContact OG1-CG 3.4Å; T103-E106 PolarHBondContact OG1-N 2.99Å; T103-E106 PolarHBondContact OG1-OE2 2.78Å; T103-R107 WeakPolarHBondContact O-CG 3.43Å; T103-R107 PolarHBondContact O-N 3.25Å
104	A	98.8	Very high	98.7	Very high	32 Å²	32	59.6 Å²	59.6	26%	0.264	30%	0.298	S	S	.	.	H	α-helix	trans	-51.9	-34.9	174	0	0	0	0	0	113.1	S108 A158 R159	A104-S108 VanDerWaalsContact O-CB 3.23Å; A104-S108 WeakPolarHBondContact O-CB 3.39Å; A104-S108 PolarHBondContact O-N 3.02Å; A104-A158 WeakPolarHBondContact CB-O 3.41Å; A104-R159 HydrophobicContact CB-CG 4.28Å
105	K	98.9	Very high	98.7	Very high	133 Å²	133	52.8 Å²	52.8	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-67	-43.5	177.3	-176.5	-178.7	176.8	-175.9	0	112.1	T103 S108 V109	T103-K105 PolarHBondContact O-N 3.06Å; T103-K105 VanDerWaalsContact O-N 3.11Å; K105-S108 WeakPolarHBondContact O-CB 3.41Å; K105-S108 PolarHBondContact O-N 2.85Å; K105-V109 WeakPolarHBondContact O-CG2 3.3Å; K105-V109 PolarHBondContact O-N 3.02Å
106	E	98.8	Very high	98.7	Very high	102 Å²	102	55.7 Å²	55.7	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-44.4	178.3	-71.4	159.8	147	0	0	111.2	T102 T103 S108 V109 L110	T102-E106 HydrophobicContact CG2-CB 3.62Å; T103-E106 WeakPolarHBondContact CB-OE2 3.09Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.31Å; T103-E106 PolarHBondContact N-OE2 3.5Å; T103-E106 PolarHBondContact O-N 3.13Å; T103-E106 VanDerWaalsContact OG1-CD 3.22Å; T103-E106 VanDerWaalsContact OG1-CG 3.28Å; T103-E106 WeakPolarHBondContact OG1-CG 3.4Å; T103-E106 PolarHBondContact OG1-N 2.99Å; T103-E106 PolarHBondContact OG1-OE2 2.78Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.06Å; E106-V109 PolarHBondContact O-N 3.38Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 3.44Å
107	R	98.9	Very high	98.7	Very high	22 Å²	22	56 Å²	56	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-42.7	175.5	-57.7	-162.4	-56.4	-96.8	3.6	111.8	W99 T102 T103 L110 L111 L206 A207	W99-R107 HydrophobicContact CH2-CB 4.01Å; W99-R107 HydrophobicContact CH2-CG 3.58Å; W99-R107 HydrophobicContact CZ2-CB 3.99Å; W99-R107 VanDerWaalsContact CZ2-CD 3.47Å; W99-R107 HydrophobicContact CZ2-CG 3.54Å; W99-R107 HydrophobicContact CZ3-CG 4.09Å; T102-R107 HydrophobicContact CG2-CG 3.83Å; T102-R107 PolarHBondContact O-NH1 3.25Å; T103-R107 WeakPolarHBondContact O-CG 3.43Å; T103-R107 PolarHBondContact O-N 3.25Å; R107-L110 PolarHBondContact O-N 3.03Å; R107-L111 PolarHBondContact O-N 3.45Å; R107-L206 WeakPolarHBondContact CD-O 3.28Å; R107-L206 PolarHBondContact NE-O 3.36Å; R107-A207 PolarHBondContact NE-O 3.26Å; R107-A207 VanDerWaalsContact NE-O 3.1Å; R107-A207 PolarHBondContact NH2-O 2.85Å
108	S	98.9	Very high	98.8	Very high	15 Å²	15	52.7 Å²	52.7	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-49.2	173.8	174.6	0	0	0	0	112.1	A104 K105 E106 L110 L111 R112 S155	A104-S108 VanDerWaalsContact O-CB 3.23Å; A104-S108 WeakPolarHBondContact O-CB 3.39Å; A104-S108 PolarHBondContact O-N 3.02Å; K105-S108 WeakPolarHBondContact O-CB 3.41Å; K105-S108 PolarHBondContact O-N 2.85Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.06Å; S108-L110 VanDerWaalsContact C-N 3.35Å; S108-L110 PolarHBondContact O-N 2.94Å; S108-L111 PolarHBondContact O-N 3.34Å; S108-R112 WeakPolarHBondContact O-CB 3.38Å; S108-R112 PolarHBondContact O-N 3.36Å; S108-S155 WeakPolarHBondContact CB-O 3.31Å; S108-S155 WeakPolarHBondContact O-CB 3.38Å; S108-S155 PolarHBondContact O-OG 3.31Å; S108-S155 PolarHBondContact OG-O 3.09Å; S108-S155 PolarHBondContact OG-OG 3.22Å
109	V	98.9	Very high	98.8	Very high	66 Å²	66	52.6 Å²	52.6	40%	0.4	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-41.3	179	169.3	0	0	0	0	112	K105 E106 R112 K113	K105-V109 WeakPolarHBondContact O-CG2 3.3Å; K105-V109 PolarHBondContact O-N 3.02Å; E106-V109 PolarHBondContact O-N 3.38Å; V109-R112 PolarHBondContact O-N 3.06Å; V109-K113 HydrophobicContact CG1-CD 4.34Å; V109-K113 WeakPolarHBondContact O-CG 3.39Å; V109-K113 PolarHBondContact O-N 3.11Å
110	L	98.9	Very high	98.8	Very high	28 Å²	28	58.4 Å²	58.4	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-45.9	178.8	-68.2	171.6	0	0	0	111.9	W99 E106 R107 S108 R112 K113 W114 A234	W99-L110 HydrophobicContact CH2-CD1 3.65Å; W99-L110 HydrophobicContact CZ3-CD1 3.66Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 3.44Å; R107-L110 PolarHBondContact O-N 3.03Å; S108-L110 VanDerWaalsContact C-N 3.35Å; S108-L110 PolarHBondContact O-N 2.94Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3.29Å; L110-K113 PolarHBondContact O-N 3.36Å; L110-W114 PolarHBondContact O-N 3.47Å; L110-A234 VanDerWaalsContact CD2-O 3.32Å; L110-A234 WeakPolarHBondContact CD2-O 3.37Å
111	L	98.9	Very high	98.8	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-39.4	175.7	-76.8	171	0	0	0	111.9	R107 S108 W114 S115 L151 L206 A207	R107-L111 PolarHBondContact O-N 3.45Å; S108-L111 PolarHBondContact O-N 3.34Å; L111-W114 HydrophobicContact CD2-CE3 4.28Å; L111-W114 PolarHBondContact O-N 2.84Å; L111-S115 PolarHBondContact O-N 2.93Å; L111-L151 HydrophobicContact CD2-CD2 4.04Å; L111-L206 HydrophobicContact CD1-CB 4.42Å; L111-L206 HydrophobicContact CD2-CB 4.07Å; L111-L206 HydrophobicContact CD2-CD2 4.22Å; L111-A207 HydrophobicContact CD1-CB 3.82Å
112	R	98.9	Very high	98.8	Very high	98 Å²	98	53.1 Å²	53.1	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-47.6	176.2	-177.9	56.9	-174.6	-120.8	5	112	S108 V109 L110 W114 S115 D116	S108-R112 WeakPolarHBondContact O-CB 3.38Å; S108-R112 PolarHBondContact O-N 3.36Å; V109-R112 PolarHBondContact O-N 3.06Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3.29Å; R112-W114 PolarHBondContact O-N 3.47Å; R112-S115 WeakPolarHBondContact O-CB 3.12Å; R112-S115 PolarHBondContact O-N 2.95Å; R112-S115 VanDerWaalsContact O-N 3.16Å; R112-D116 IonicContact CZ-OD1 3.87Å; R112-D116 IonicContact NE-OD1 3.06Å; R112-D116 PolarHBondContact NE-OD1 2.94Å; R112-D116 IonicContact NE-OD2 3.68Å; R112-D116 IonicContact NH2-OD1 3.8Å; R112-D116 VanDerWaalsContact O-CG 3.27Å; R112-D116 PolarHBondContact O-N 3.32Å
113	K	98.9	Very high	98.8	Very high	111 Å²	111	53.3 Å²	53.3	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-57.3	-40.9	175.3	-74.6	177.4	178.9	-175.9	0	111.7	V109 L110 D116 L117 A234	V109-K113 HydrophobicContact CG1-CD 4.34Å; V109-K113 WeakPolarHBondContact O-CG 3.39Å; V109-K113 PolarHBondContact O-N 3.11Å; L110-K113 PolarHBondContact O-N 3.36Å; K113-D116 PolarHBondContact O-N 3.37Å; K113-L117 WeakPolarHBondContact O-CG 3.1Å; K113-L117 PolarHBondContact O-N 3.5Å; K113-A234 HydrophobicContact CB-CB 4.16Å
114	W	98.9	Very high	98.8	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-44.7	177.3	-168.2	7.4	0	0	0	111.7	L110 L111 R112 D116 L117 L118 L151 V202 L206 L227 A231 A234 V236 V241	L110-W114 PolarHBondContact O-N 3.47Å; L111-W114 HydrophobicContact CD2-CE3 4.28Å; L111-W114 PolarHBondContact O-N 2.84Å; R112-W114 PolarHBondContact O-N 3.47Å; W114-D116 PolarHBondContact O-N 3.38Å; W114-L117 WeakPolarHBondContact O-CB 3.27Å; W114-L117 PolarHBondContact O-N 2.97Å; W114-L118 VanDerWaalsContact CD1-CD1 3.4Å; W114-L118 HydrophobicContact CG-CD1 4.38Å; W114-L118 WeakPolarHBondContact O-CD1 3.39Å; W114-L118 PolarHBondContact O-N 3.39Å; W114-L118 VanDerWaalsContact O-N 3.08Å; W114-L151 HydrophobicContact CB-CD1 4.16Å; W114-L151 HydrophobicContact CD2-CD1 3.73Å; W114-L151 HydrophobicContact CD2-CD2 4.35Å; W114-L151 HydrophobicContact CE3-CD1 4.21Å; W114-L151 HydrophobicContact CE3-CD2 3.99Å; W114-L151 HydrophobicContact CG-CD1 3.7Å; W114-L151 HydrophobicContact CZ3-CD2 4.23Å; W114-V202 HydrophobicContact CH2-CG1 3.8Å; W114-V202 HydrophobicContact CZ3-CG1 3.85Å; W114-L206 HydrophobicContact CZ3-CD2 3.96Å; W114-L227 HydrophobicContact CZ2-CB 4.18Å; W114-L227 VanDerWaalsContact CZ2-O 3.26Å; W114-L227 WeakPolarHBondContact CZ2-O 3.03Å; W114-L227 PolarHBondContact NE1-O 2.9Å; W114-A231 HydrophobicContact CD2-CB 4.01Å; W114-A231 HydrophobicContact CE3-CB 4.22Å; W114-A231 HydrophobicContact CH2-CB 3.8Å; W114-A231 HydrophobicContact CZ2-CB 3.57Å; W114-A231 HydrophobicContact CZ3-CB 4.11Å; W114-A234 HydrophobicContact CB-CB 3.74Å; W114-A234 HydrophobicContact CG-CB 4.32Å; W114-V236 HydrophobicContact CE3-CG2 4.31Å; W114-V241 HydrophobicContact CH2-CG2 4.11Å; W114-V241 HydrophobicContact CZ3-CG2 4.16Å
115	S	98.9	Very high	98.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-47.9	172	-179.4	0	0	0	0	112.4	L111 R112 L117 L118 L119 A148	L111-S115 PolarHBondContact O-N 2.93Å; R112-S115 WeakPolarHBondContact O-CB 3.12Å; R112-S115 PolarHBondContact O-N 2.95Å; R112-S115 VanDerWaalsContact O-N 3.16Å; S115-L117 VanDerWaalsContact C-N 3.27Å; S115-L117 PolarHBondContact O-N 3.32Å; S115-L118 WeakPolarHBondContact O-CB 3.5Å; S115-L118 PolarHBondContact O-N 3.2Å; S115-L119 PolarHBondContact O-N 2.66Å; S115-A148 PolarHBondContact OG-O 3.39Å
116	D	98.9	Very high	98.8	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-35.7	-179.1	-62.2	-24.4	0	0	0	111.1	R112 K113 W114 L119 L120	R112-D116 IonicContact CZ-OD1 3.87Å; R112-D116 IonicContact NE-OD1 3.06Å; R112-D116 PolarHBondContact NE-OD1 2.94Å; R112-D116 IonicContact NE-OD2 3.68Å; R112-D116 IonicContact NH2-OD1 3.8Å; R112-D116 VanDerWaalsContact O-CG 3.27Å; R112-D116 PolarHBondContact O-N 3.32Å; K113-D116 PolarHBondContact O-N 3.37Å; W114-D116 PolarHBondContact O-N 3.38Å; D116-L119 PolarHBondContact O-N 2.94Å; D116-L120 WeakPolarHBondContact O-CB 3.34Å; D116-L120 PolarHBondContact O-N 3.27Å
117	L	98.9	Very high	98.8	Very high	30 Å²	30	45 Å²	45	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-36.4	174.5	-75.1	171.5	0	0	0	113.3	K113 W114 S115 L119 L120 H121 L230 Q233 A234	K113-L117 WeakPolarHBondContact O-CG 3.1Å; K113-L117 PolarHBondContact O-N 3.5Å; W114-L117 WeakPolarHBondContact O-CB 3.27Å; W114-L117 PolarHBondContact O-N 2.97Å; S115-L117 VanDerWaalsContact C-N 3.27Å; S115-L117 PolarHBondContact O-N 3.32Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.14Å; L117-L120 HydrophobicContact CD2-CD2 4.17Å; L117-L120 PolarHBondContact O-N 2.78Å; L117-H121 PolarHBondContact O-CD2 3.29Å; L117-H121 VanDerWaalsContact O-CD2 3.32Å; L117-H121 PolarHBondContact O-N 2.88Å; L117-L230 HydrophobicContact CB-CB 4.48Å; L117-L230 HydrophobicContact CB-CD2 4.28Å; L117-L230 WeakPolarHBondContact CD1-O 3.05Å; L117-Q233 HydrophobicContact CD1-CB 3.83Å; L117-A234 HydrophobicContact CD1-CB 3.99Å
118	L	98.8	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-44.3	173.1	-93.3	68.4	0	0	0	110.7	W114 S115 H121 Q122 L125 V144 A148 L151 T199 L227 L230	W114-L118 VanDerWaalsContact CD1-CD1 3.4Å; W114-L118 HydrophobicContact CG-CD1 4.38Å; W114-L118 WeakPolarHBondContact O-CD1 3.39Å; W114-L118 PolarHBondContact O-N 3.39Å; W114-L118 VanDerWaalsContact O-N 3.08Å; S115-L118 WeakPolarHBondContact O-CB 3.5Å; S115-L118 PolarHBondContact O-N 3.2Å; L118-H121 CarbonylContact O-C 3.54Å; L118-H121 PolarHBondContact O-N 3Å; L118-Q122 WeakPolarHBondContact O-CA 3.24Å; L118-Q122 PolarHBondContact O-N 3.46Å; L118-L125 HydrophobicContact CB-CD1 4.28Å; L118-L125 HydrophobicContact CG-CD1 4.04Å; L118-V144 HydrophobicContact CB-CG1 4.47Å; L118-A148 HydrophobicContact CB-CB 3.96Å; L118-A148 HydrophobicContact CD2-CB 4.2Å; L118-L151 HydrophobicContact CD1-CD1 3.99Å; L118-L151 HydrophobicContact CD2-CD1 4Å; L118-T199 HydrophobicContact CD2-CG2 4.27Å; L118-L227 HydrophobicContact CD1-CD2 3.82Å; L118-L227 HydrophobicContact CD2-CD2 3.77Å; L118-L227 HydrophobicContact CG-CD2 3.97Å; L118-L230 HydrophobicContact CD1-CB 4.39Å; L118-L230 HydrophobicContact CD1-CD1 3.85Å; L118-L230 HydrophobicContact CG-CD1 4.35Å
119	L	98.8	Very high	98.7	Very high	76 Å²	76	43.3 Å²	43.3	40%	0.398	22%	0.216	S	C	.	.	H	α-helix	trans	-68.9	-37.9	178.3	-64.1	178.8	0	0	0	112	S115 D116 L117 H121 Q122 A148	S115-L119 PolarHBondContact O-N 2.66Å; D116-L119 PolarHBondContact O-N 2.94Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.14Å; L119-H121 VanDerWaalsContact C-N 3.26Å; L119-H121 PolarHBondContact O-N 3.13Å; L119-Q122 WeakPolarHBondContact O-CB 3.49Å; L119-Q122 PolarHBondContact O-N 3.06Å; L119-A148 HydrophobicContact CD2-CB 3.75Å; L119-A148 HydrophobicContact CG-CB 3.85Å
120	L	98.6	Very high	98.7	Very high	126 Å²	126	40.2 Å²	40.2	66%	0.66	20%	0.198	S	C	*	.	H	α-helix	trans	-59.5	-38.5	174.7	-178.3	64.2	0	0	0	112	D116 L117	D116-L120 WeakPolarHBondContact O-CB 3.34Å; D116-L120 PolarHBondContact O-N 3.27Å; L117-L120 HydrophobicContact CD2-CD2 4.17Å; L117-L120 PolarHBondContact O-N 2.78Å
121	H	98.6	Very high	98.7	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.19	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	17.9	-179.3	-64.7	-64.4	0	0	0	113.7	L45 L117 L118 L119 G123 H124 L125	L45-H121 HydrophobicContact CD1-CB 4Å; L117-H121 PolarHBondContact O-CD2 3.29Å; L117-H121 VanDerWaalsContact O-CD2 3.32Å; L117-H121 PolarHBondContact O-N 2.88Å; L118-H121 CarbonylContact O-C 3.54Å; L118-H121 PolarHBondContact O-N 3Å; L119-H121 VanDerWaalsContact C-N 3.26Å; L119-H121 PolarHBondContact O-N 3.13Å; H121-G123 VanDerWaalsContact C-N 3.32Å; H121-G123 PolarHBondContact O-N 3.42Å; H121-H124 AromaticContact ND1-ND1 3.98Å; H121-H124 PolarHBondContact O-N 2.83Å; H121-L125 HydrophobicContact CB-CD1 4.32Å; H121-L125 HydrophobicContact CB-CG 4.27Å; H121-L125 WeakPolarHBondContact O-CG 3.25Å; H121-L125 PolarHBondContact O-N 2.79Å
122	Q	98.6	Very high	98.7	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-52.4	-46.6	-169.4	-169	-167.7	12.5	0	0	113.2	L118 L119 H124 L125 A126 L141 V144 S145	L118-Q122 WeakPolarHBondContact O-CA 3.24Å; L118-Q122 PolarHBondContact O-N 3.46Å; L119-Q122 WeakPolarHBondContact O-CB 3.49Å; L119-Q122 PolarHBondContact O-N 3.06Å; Q122-H124 PolarHBondContact O-N 2.83Å; Q122-L125 PolarHBondContact O-N 2.84Å; Q122-A126 VanDerWaalsContact O-CB 3.24Å; Q122-A126 WeakPolarHBondContact O-CB 3.45Å; Q122-A126 PolarHBondContact O-N 3.38Å; Q122-L141 HydrophobicContact CG-CD2 3.89Å; Q122-L141 PolarHBondContact NE2-O 2.85Å; Q122-V144 HydrophobicContact CB-CG1 4.26Å; Q122-V144 HydrophobicContact CG-CB 3.91Å; Q122-V144 HydrophobicContact CG-CG1 3.8Å; Q122-S145 PolarHBondContact NE2-OG 3.11Å
123	G	98.4	Very high	98.6	Very high	37 Å²	37	34.6 Å²	34.6	38%	0.381	17%	0.174	S	C	.	.	H	α-helix	trans	-63.2	-40	180	0	0	0	0	0	113.6	H121 R127	H121-G123 VanDerWaalsContact C-N 3.32Å; H121-G123 PolarHBondContact O-N 3.42Å; G123-R127 WeakPolarHBondContact O-CG 3.47Å; G123-R127 PolarHBondContact O-N 2.82Å; G123-R127 VanDerWaalsContact O-N 3.11Å
124	H	98.4	Very high	98.6	Very high	66 Å²	66	29.3 Å²	29.3	31%	0.306	15%	0.152	S	C	.	.	H	α-helix	trans	-71.1	-42.5	178.4	-58.6	134.7	0	0	0	111.6	V41 P42 L45 H121 Q122 A126 R127 L128	V41-H124 HydrophobicContact CG1-CB 4.35Å; V41-H124 WeakPolarHBondContact CG1-O 3.5Å; P42-H124 VanDerWaalsContact CD-CG 3.49Å; L45-H124 HydrophobicContact CD1-CB 3.93Å; H121-H124 AromaticContact ND1-ND1 3.98Å; H121-H124 PolarHBondContact O-N 2.83Å; Q122-H124 PolarHBondContact O-N 2.83Å; H124-A126 VanDerWaalsContact C-N 3.33Å; H124-R127 PolarHBondContact O-N 3.23Å; H124-L128 PolarHBondContact O-N 3.16Å
125	L	98.8	Very high	98.6	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-40.9	176.4	-65.9	174.5	0	0	0	111.2	L118 H121 Q122 L128 I129 V144 A226 L230	L118-L125 HydrophobicContact CB-CD1 4.28Å; L118-L125 HydrophobicContact CG-CD1 4.04Å; H121-L125 HydrophobicContact CB-CD1 4.32Å; H121-L125 HydrophobicContact CB-CG 4.27Å; H121-L125 WeakPolarHBondContact O-CG 3.25Å; H121-L125 PolarHBondContact O-N 2.79Å; Q122-L125 PolarHBondContact O-N 2.84Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 2.88Å; L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 2.83Å; L125-V144 HydrophobicContact CB-CG1 4.16Å; L125-V144 HydrophobicContact CB-CG2 3.67Å; L125-V144 HydrophobicContact CD1-CG1 3.86Å; L125-A226 HydrophobicContact CD2-CB 3.75Å; L125-L230 HydrophobicContact CD1-CD1 3.89Å; L125-L230 HydrophobicContact CD2-CD1 4.32Å
126	A	98.7	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-41.4	177.5	0	0	0	0	0	112.2	Q122 H124 L128 I129 T130 L137 A140 L141 V144	Q122-A126 VanDerWaalsContact O-CB 3.24Å; Q122-A126 WeakPolarHBondContact O-CB 3.45Å; Q122-A126 PolarHBondContact O-N 3.38Å; H124-A126 VanDerWaalsContact C-N 3.33Å; A126-L128 VanDerWaalsContact C-N 3.33Å; A126-L128 PolarHBondContact O-N 3.14Å; A126-I129 PolarHBondContact O-N 3.03Å; A126-T130 WeakPolarHBondContact O-CB 3.4Å; A126-T130 PolarHBondContact O-N 3.21Å; A126-T130 PolarHBondContact O-OG1 3.22Å; A126-L137 HydrophobicContact CB-CD1 3.8Å; A126-A140 HydrophobicContact CB-CB 3.91Å; A126-A140 VanDerWaalsContact O-CB 3.26Å; A126-A140 WeakPolarHBondContact O-CB 3.42Å; A126-L141 HydrophobicContact CB-CB 4.37Å; A126-L141 HydrophobicContact CB-CD2 3.63Å; A126-L141 HydrophobicContact CB-CG 3.75Å; A126-V144 HydrophobicContact CB-CG2 4.31Å
127	R	98.4	Very high	98.5	Very high	91 Å²	91	28.5 Å²	28.5	34%	0.343	15%	0.147	S	C	.	.	H	α-helix	trans	-57.6	-49.1	172.1	-74.3	174	179.3	-171.6	-1.8	110.8	L39 D40 V41 G123 H124 I129 T130 F131 L137	L39-R127 HydrophobicContact CD1-CB 4.42Å; D40-R127 WeakPolarHBondContact O-CD 3.29Å; D40-R127 PolarHBondContact O-NH1 2.8Å; D40-R127 IonicContact OD2-NH1 3.47Å; D40-R127 PolarHBondContact OD2-NH1 2.88Å; V41-R127 HydrophobicContact CG1-CB 4.21Å; G123-R127 WeakPolarHBondContact O-CG 3.47Å; G123-R127 PolarHBondContact O-N 2.82Å; G123-R127 VanDerWaalsContact O-N 3.11Å; H124-R127 PolarHBondContact O-N 3.23Å; R127-I129 PolarHBondContact O-N 3.29Å; R127-T130 WeakPolarHBondContact O-CB 3.43Å; R127-T130 PolarHBondContact O-N 3.23Å; R127-T130 VanDerWaalsContact O-N 3.15Å; R127-F131 VanDerWaalsContact O-CD2 3.3Å; R127-F131 WeakPolarHBondContact O-CD2 3.45Å; R127-F131 PolarHBondContact O-N 3.26Å; R127-L137 HydrophobicContact CG-CD1 4.17Å
128	L	98.1	Very high	98.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-57.1	-48.5	179.7	-172.8	153.4	0	0	0	111.4	V41 H124 L125 A126 T130 F131 E132 L222 S223 A226	V41-L128 HydrophobicContact CG1-CB 4.4Å; H124-L128 PolarHBondContact O-N 3.16Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 2.88Å; A126-L128 VanDerWaalsContact C-N 3.33Å; A126-L128 PolarHBondContact O-N 3.14Å; L128-T130 PolarHBondContact O-N 3.42Å; L128-F131 PolarHBondContact O-N 3.23Å; L128-E132 WeakPolarHBondContact CD2-OE1 3.34Å; L128-E132 WeakPolarHBondContact O-CG 3.49Å; L128-E132 PolarHBondContact O-N 2.87Å; L128-E132 VanDerWaalsContact O-N 3.1Å; L128-L222 HydrophobicContact CD1-CB 4.1Å; L128-L222 HydrophobicContact CD2-CB 3.67Å; L128-L222 HydrophobicContact CG-CB 4.03Å; L128-S223 VanDerWaalsContact CD2-N 3.28Å; L128-S223 VanDerWaalsContact CD2-OG 3.32Å; L128-S223 WeakPolarHBondContact CD2-OG 3.27Å; L128-A226 HydrophobicContact CD1-CB 4.26Å
129	I	98.8	Very high	98.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-47.4	174.4	-67.7	169.1	0	0	0	111.3	L125 A126 R127 F131 E132 S133 K135 A140 E143 V144 P194 S223	L125-I129 WeakPolarHBondContact O-CG1 3.35Å; L125-I129 PolarHBondContact O-N 2.83Å; A126-I129 PolarHBondContact O-N 3.03Å; R127-I129 PolarHBondContact O-N 3.29Å; I129-F131 VanDerWaalsContact C-N 3.33Å; I129-F131 PolarHBondContact O-N 3.43Å; I129-E132 PolarHBondContact O-N 3.02Å; I129-S133 VanDerWaalsContact O-CB 3.28Å; I129-S133 WeakPolarHBondContact O-CB 3.41Å; I129-S133 PolarHBondContact O-N 3.31Å; I129-S133 PolarHBondContact O-OG 3.21Å; I129-K135 HydrophobicContact CG2-CD 3.73Å; I129-K135 HydrophobicContact CG2-CG 4.06Å; I129-A140 HydrophobicContact CB-CB 4Å; I129-A140 HydrophobicContact CG2-CB 3.84Å; I129-E143 HydrophobicContact CD1-CG 4.29Å; I129-V144 HydrophobicContact CD1-CG2 3.59Å; I129-P194 HydrophobicContact CG1-CG 4.12Å; I129-P194 HydrophobicContact CG2-CG 4.05Å; I129-S223 VanDerWaalsContact CG1-OG 3.23Å; I129-S223 WeakPolarHBondContact CG1-OG 3.13Å
130	T	98.8	Very high	98.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-43.8	179.7	-77.7	0	0	0	0	111.9	A126 R127 L128 G134 K135 L137 A140 G360	A126-T130 WeakPolarHBondContact O-CB 3.4Å; A126-T130 PolarHBondContact O-N 3.21Å; A126-T130 PolarHBondContact O-OG1 3.22Å; R127-T130 WeakPolarHBondContact O-CB 3.43Å; R127-T130 PolarHBondContact O-N 3.23Å; R127-T130 VanDerWaalsContact O-N 3.15Å; L128-T130 PolarHBondContact O-N 3.42Å; T130-G134 CarbonylContact O-C 3.56Å; T130-G134 WeakPolarHBondContact O-CA 2.98Å; T130-G134 PolarHBondContact O-N 2.84Å; T130-K135 WeakPolarHBondContact CA-O 3.45Å; T130-K135 WeakPolarHBondContact CB-O 3.43Å; T130-K135 WeakPolarHBondContact CG2-O 3.41Å; T130-K135 PolarHBondContact OG1-O 3.48Å; T130-L137 WeakPolarHBondContact OG1-CA 3.42Å; T130-L137 PolarHBondContact OG1-N 2.68Å; T130-A140 WeakPolarHBondContact OG1-CB 3.35Å; T130-G360 VanDerWaalsContact CG2-C 3.44Å
131	F	98.4	Very high	98.5	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-71.2	-38.3	-178.1	-87.5	-92.7	0	0	0	112.6	S38 L39 D67 P68 L74 R127 L128 I129 H359	S38-F131 VanDerWaalsContact C-CZ 3.48Å; S38-F131 WeakPolarHBondContact O-CZ 3.05Å; L39-F131 HydrophobicContact CB-CD1 4.17Å; L39-F131 HydrophobicContact CB-CD2 4.33Å; L39-F131 HydrophobicContact CB-CE1 4.3Å; L39-F131 HydrophobicContact CB-CE2 4.48Å; L39-F131 HydrophobicContact CB-CG 4.16Å; L39-F131 HydrophobicContact CB-CZ 4.45Å; L39-F131 HydrophobicContact CD1-CB 4.04Å; L39-F131 HydrophobicContact CD1-CD2 3.63Å; L39-F131 HydrophobicContact CD1-CE2 4.24Å; L39-F131 HydrophobicContact CD1-CG 3.89Å; L39-F131 HydrophobicContact CG-CG 4.49Å; D67-F131 WeakPolarHBondContact CA-O 3.01Å; P68-F131 VanDerWaalsContact CD-O 3.23Å; P68-F131 WeakPolarHBondContact CD-O 3.1Å; L74-F131 HydrophobicContact CD1-CB 3.97Å; L74-F131 HydrophobicContact CD2-CB 4.24Å; L74-F131 HydrophobicContact CD2-CD1 3.81Å; L74-F131 HydrophobicContact CD2-CG 4.45Å; R127-F131 VanDerWaalsContact O-CD2 3.3Å; R127-F131 WeakPolarHBondContact O-CD2 3.45Å; R127-F131 PolarHBondContact O-N 3.26Å; L128-F131 PolarHBondContact O-N 3.23Å; I129-F131 VanDerWaalsContact C-N 3.33Å; I129-F131 PolarHBondContact O-N 3.43Å; F131-H359 AromaticContact CE1-CE1 3.95Å
132	E	98.4	Very high	98.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-85.2	-29.4	-179.9	69.4	-179.1	171.9	0	0	113.8	V65 L74 L128 I129 T220 L222 S223	V65-E132 HydrophobicContact CG1-CB 4.22Å; L74-E132 HydrophobicContact CD1-CB 4.38Å; L128-E132 WeakPolarHBondContact CD2-OE1 3.34Å; L128-E132 WeakPolarHBondContact O-CG 3.49Å; L128-E132 PolarHBondContact O-N 2.87Å; L128-E132 VanDerWaalsContact O-N 3.1Å; I129-E132 PolarHBondContact O-N 3.02Å; E132-T220 HydrophobicContact CB-CG2 4.14Å; E132-T220 VanDerWaalsContact CD-CA 3.47Å; E132-T220 HydrophobicContact CG-CG2 3.71Å; E132-T220 WeakPolarHBondContact O-CG2 3.16Å; E132-T220 WeakPolarHBondContact OE2-CA 3.42Å; E132-L222 WeakPolarHBondContact OE2-CA 3.27Å; E132-L222 WeakPolarHBondContact OE2-CB 3.37Å; E132-L222 PolarHBondContact OE2-N 3.17Å; E132-S223 WeakPolarHBondContact OE1-CB 3.22Å; E132-S223 PolarHBondContact OE1-N 3.41Å; E132-S223 PolarHBondContact OE1-OG 3.38Å
133	S	98.4	Very high	98.5	Very high	1 Å²	1	24 Å²	24	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-102.2	-16.7	-177.9	73.1	0	0	0	0	114.5	I129 K135	I129-S133 VanDerWaalsContact O-CB 3.28Å; I129-S133 WeakPolarHBondContact O-CB 3.41Å; I129-S133 PolarHBondContact O-N 3.31Å; I129-S133 PolarHBondContact O-OG 3.21Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.31Å; S133-K135 VanDerWaalsContact OG-CE 3.27Å; S133-K135 WeakPolarHBondContact OG-CE 3.29Å; S133-K135 PolarHBondContact OG-N 3.49Å
134	G	98.1	Very high	98.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	12%	0.122	C	C	.	.			trans	82.8	-9.9	-177	0	0	0	0	0	115.1	T130 G368 P369	T130-G134 CarbonylContact O-C 3.56Å; T130-G134 WeakPolarHBondContact O-CA 2.98Å; T130-G134 PolarHBondContact O-N 2.84Å; G134-G368 WeakPolarHBondContact O-CA 3.27Å; G134-P369 WeakPolarHBondContact O-CD 3.4Å
135	K	98.6	Very high	98.5	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	12%	0.124	C	C	.	.			trans	-66.8	147.7	-174.3	80	-178.1	62.4	-172.6	0	112.8	I129 T130 S133 E139 A140 E143 N192 N322	I129-K135 HydrophobicContact CG2-CD 3.73Å; I129-K135 HydrophobicContact CG2-CG 4.06Å; T130-K135 WeakPolarHBondContact CA-O 3.45Å; T130-K135 WeakPolarHBondContact CB-O 3.43Å; T130-K135 WeakPolarHBondContact CG2-O 3.41Å; T130-K135 PolarHBondContact OG1-O 3.48Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.31Å; S133-K135 VanDerWaalsContact OG-CE 3.27Å; S133-K135 WeakPolarHBondContact OG-CE 3.29Å; S133-K135 PolarHBondContact OG-N 3.49Å; K135-E139 HydrophobicContact CD-CB 4.22Å; K135-E139 HydrophobicContact CG-CB 4.41Å; K135-A140 HydrophobicContact CD-CB 4.17Å; K135-A140 HydrophobicContact CG-CB 4.02Å; K135-E143 IonicContact NZ-OE2 2.74Å; K135-E143 PolarHBondContact NZ-OE2 3.03Å; K135-N192 PolarHBondContact NZ-O 3.41Å; K135-N322 WeakPolarHBondContact CB-OD1 3.38Å; K135-N322 WeakPolarHBondContact CE-OD1 3.36Å
136	P	98.5	Very high	98.5	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.019	13%	0.128	C	C	.	.			trans	-54.8	142.6	176.7	-24	33	0	0	0	113	P138 E139 A140 G360 T365 T366	P136-P138 VanDerWaalsContact C-CD 3.44Å; P136-P138 VanDerWaalsContact C-N 3.33Å; P136-E139 HydrophobicContact CB-CG 4.45Å; P136-E139 WeakPolarHBondContact O-CA 3.44Å; P136-E139 WeakPolarHBondContact O-CB 3.45Å; P136-E139 PolarHBondContact O-N 2.75Å; P136-A140 PolarHBondContact O-N 2.9Å; P136-G360 WeakPolarHBondContact CA-O 3.42Å; P136-T365 HydrophobicContact CG-CG2 4.21Å; P136-T366 WeakPolarHBondContact CG-O 3.33Å
137	L	98.4	Very high	98.6	Very high	49 Å²	49	22.6 Å²	22.6	26%	0.257	13%	0.128	S	C	.	.	H	α-helix	trans	-53.9	-39.8	-177.9	-176.1	67.1	0	0	0	113.8	A126 R127 T130 E139 A140 L141 G360	A126-L137 HydrophobicContact CB-CD1 3.8Å; R127-L137 HydrophobicContact CG-CD1 4.17Å; T130-L137 WeakPolarHBondContact OG1-CA 3.42Å; T130-L137 PolarHBondContact OG1-N 2.68Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 2.79Å; L137-A140 PolarHBondContact O-N 3.39Å; L137-L141 HydrophobicContact CG-CD1 4.42Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 2.74Å; L137-G360 PolarHBondContact N-O 2.83Å
138	P	98.3	Very high	98.6	Very high	88 Å²	88	18.3 Å²	18.3	57%	0.571	11%	0.113	S	C	*	.	H	α-helix	trans	-59.4	-38.6	174	-25.7	36.4	0	0	0	113.4	P136 G142	P136-P138 VanDerWaalsContact C-CD 3.44Å; P136-P138 VanDerWaalsContact C-N 3.33Å; P138-G142 PolarHBondContact O-N 2.98Å; P138-G142 VanDerWaalsContact O-N 3.1Å
139	E	98.4	Very high	98.6	Very high	46 Å²	46	19.7 Å²	19.7	22%	0.215	12%	0.122	C	C	.	.	H	α-helix	trans	-69.7	-39.8	175.8	-63.1	-167.5	-165.6	0	0	111.9	K135 P136 L137 L141 G142 E143 N322	K135-E139 HydrophobicContact CD-CB 4.22Å; K135-E139 HydrophobicContact CG-CB 4.41Å; P136-E139 HydrophobicContact CB-CG 4.45Å; P136-E139 WeakPolarHBondContact O-CA 3.44Å; P136-E139 WeakPolarHBondContact O-CB 3.45Å; P136-E139 PolarHBondContact O-N 2.75Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 2.79Å; E139-L141 VanDerWaalsContact C-N 3.35Å; E139-G142 PolarHBondContact O-N 3.11Å; E139-E143 PolarHBondContact O-N 2.91Å; E139-N322 VanDerWaalsContact CD-N 3.29Å; E139-N322 PolarHBondContact OE1-N 3.44Å; E139-N322 VanDerWaalsContact OE1-N 3.09Å; E139-N322 WeakPolarHBondContact OE2-CA 3.47Å; E139-N322 PolarHBondContact OE2-N 3.45Å
140	A	98.7	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-39.8	175.6	0	0	0	0	0	112	A126 I129 T130 K135 P136 L137 G142 E143 V144	A126-A140 HydrophobicContact CB-CB 3.91Å; A126-A140 VanDerWaalsContact O-CB 3.26Å; A126-A140 WeakPolarHBondContact O-CB 3.42Å; I129-A140 HydrophobicContact CB-CB 4Å; I129-A140 HydrophobicContact CG2-CB 3.84Å; T130-A140 WeakPolarHBondContact OG1-CB 3.35Å; K135-A140 HydrophobicContact CD-CB 4.17Å; K135-A140 HydrophobicContact CG-CB 4.02Å; P136-A140 PolarHBondContact O-N 2.9Å; L137-A140 PolarHBondContact O-N 3.39Å; A140-G142 VanDerWaalsContact C-N 3.34Å; A140-G142 PolarHBondContact O-N 3.18Å; A140-E143 PolarHBondContact O-N 3.17Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.48Å
141	L	98.7	Very high	98.6	Very high	55 Å²	55	19.6 Å²	19.6	29%	0.288	12%	0.122	S	C	.	.	H	α-helix	trans	-59.6	-45.4	172.4	-75.9	167.6	0	0	0	111.4	Q122 A126 L137 E139 E143 V144 S145	Q122-L141 HydrophobicContact CG-CD2 3.89Å; Q122-L141 PolarHBondContact NE2-O 2.85Å; A126-L141 HydrophobicContact CB-CB 4.37Å; A126-L141 HydrophobicContact CB-CD2 3.63Å; A126-L141 HydrophobicContact CB-CG 3.75Å; L137-L141 HydrophobicContact CG-CD1 4.42Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 2.74Å; E139-L141 VanDerWaalsContact C-N 3.35Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-V144 PolarHBondContact O-N 3.17Å; L141-S145 PolarHBondContact O-N 3.16Å; L141-S145 VanDerWaalsContact O-N 3.09Å; L141-S145 PolarHBondContact O-OG 3.42Å
142	G	98.5	Very high	98.7	Very high	41 Å²	41	22.4 Å²	22.4	42%	0.423	14%	0.135	S	C	.	.	H	α-helix	trans	-60.8	-41.5	175.2	0	0	0	0	0	112.4	P138 E139 A140 S145 Y146	P138-G142 PolarHBondContact O-N 2.98Å; P138-G142 VanDerWaalsContact O-N 3.1Å; E139-G142 PolarHBondContact O-N 3.11Å; A140-G142 VanDerWaalsContact C-N 3.34Å; A140-G142 PolarHBondContact O-N 3.18Å; G142-S145 PolarHBondContact O-N 2.81Å; G142-Y146 WeakPolarHBondContact O-CB 3.46Å; G142-Y146 PolarHBondContact O-N 2.77Å
143	E	98.8	Very high	98.7	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-43.3	174.3	177.8	175.4	173	0	0	112.2	I129 K135 E139 A140 L141 S145 Y146 S147 F193 P194 S195 A196	I129-E143 HydrophobicContact CD1-CG 4.29Å; K135-E143 IonicContact NZ-OE2 2.74Å; K135-E143 PolarHBondContact NZ-OE2 3.03Å; E139-E143 PolarHBondContact O-N 2.91Å; A140-E143 PolarHBondContact O-N 3.17Å; L141-E143 VanDerWaalsContact C-N 3.34Å; E143-S145 VanDerWaalsContact C-N 3.32Å; E143-S145 PolarHBondContact O-N 3.1Å; E143-Y146 CarbonylContact O-C 3.45Å; E143-Y146 PolarHBondContact O-N 2.84Å; E143-S147 VanDerWaalsContact O-CB 3.25Å; E143-S147 WeakPolarHBondContact O-CB 3.28Å; E143-S147 PolarHBondContact O-N 3.24Å; E143-F193 HydrophobicContact CB-CD1 4.31Å; E143-F193 HydrophobicContact CG-CD1 3.91Å; E143-F193 WeakPolarHBondContact OE1-CA 3.3Å; E143-F193 WeakPolarHBondContact OE1-CB 3.45Å; E143-F193 WeakPolarHBondContact OE2-CD1 3.38Å; E143-P194 VanDerWaalsContact OE1-CD 3.27Å; E143-P194 WeakPolarHBondContact OE1-CD 3.34Å; E143-S195 PolarHBondContact OE1-N 3.34Å; E143-A196 HydrophobicContact CG-CB 3.87Å; E143-A196 PolarHBondContact OE1-N 2.84Å
144	V	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-40.8	179.1	179.5	0	0	0	0	110.8	L118 Q122 L125 A126 I129 A140 L141 Y146 S147 A148	L118-V144 HydrophobicContact CB-CG1 4.47Å; Q122-V144 HydrophobicContact CB-CG1 4.26Å; Q122-V144 HydrophobicContact CG-CB 3.91Å; Q122-V144 HydrophobicContact CG-CG1 3.8Å; L125-V144 HydrophobicContact CB-CG1 4.16Å; L125-V144 HydrophobicContact CB-CG2 3.67Å; L125-V144 HydrophobicContact CD1-CG1 3.86Å; A126-V144 HydrophobicContact CB-CG2 4.31Å; I129-V144 HydrophobicContact CD1-CG2 3.59Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.48Å; L141-V144 PolarHBondContact O-N 3.17Å; V144-Y146 VanDerWaalsContact C-N 3.35Å; V144-S147 WeakPolarHBondContact O-CB 3.3Å; V144-S147 PolarHBondContact O-N 3.27Å; V144-A148 WeakPolarHBondContact O-CB 3.33Å; V144-A148 PolarHBondContact O-N 2.93Å
145	S	98.8	Very high	98.7	Very high	51 Å²	51	25 Å²	25	36%	0.357	15%	0.145	S	C	.	.	H	α-helix	trans	-60.9	-44	172.8	-68.6	0	0	0	0	112.1	Q122 L141 G142 E143 S147 A148 S149	Q122-S145 PolarHBondContact NE2-OG 3.11Å; L141-S145 PolarHBondContact O-N 3.16Å; L141-S145 VanDerWaalsContact O-N 3.09Å; L141-S145 PolarHBondContact O-OG 3.42Å; G142-S145 PolarHBondContact O-N 2.81Å; E143-S145 VanDerWaalsContact C-N 3.32Å; E143-S145 PolarHBondContact O-N 3.1Å; S145-S147 VanDerWaalsContact C-N 3.32Å; S145-S147 PolarHBondContact O-N 3.3Å; S145-A148 PolarHBondContact O-N 3.18Å; S145-S149 PolarHBondContact O-N 3.2Å
146	Y	98.8	Very high	98.8	Very high	30 Å²	30	27.9 Å²	27.9	12%	0.118	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-35.7	177.7	-174.8	-137	0	0	0	112.3	G142 E143 V144 S149 F150 A196	G142-Y146 WeakPolarHBondContact O-CB 3.46Å; G142-Y146 PolarHBondContact O-N 2.77Å; E143-Y146 CarbonylContact O-C 3.45Å; E143-Y146 PolarHBondContact O-N 2.84Å; V144-Y146 VanDerWaalsContact C-N 3.35Å; Y146-S149 PolarHBondContact O-N 3.08Å; Y146-S149 PolarHBondContact O-OG 3.49Å; Y146-F150 HydrophobicContact CD1-CE2 4.09Å; Y146-F150 HydrophobicContact CD2-CD2 4.48Å; Y146-F150 AromaticContact CD2-CE2 3.98Å; Y146-F150 HydrophobicContact CD2-CE2 3.98Å; Y146-F150 AromaticContact CE1-CE2 3.62Å; Y146-F150 HydrophobicContact CE1-CE2 3.62Å; Y146-F150 HydrophobicContact CE1-CZ 4.21Å; Y146-F150 HydrophobicContact CE2-CD2 4.33Å; Y146-F150 AromaticContact CE2-CE2 3.48Å; Y146-F150 HydrophobicContact CE2-CE2 3.48Å; Y146-F150 VanDerWaalsContact CE2-CE2 3.48Å; Y146-F150 AromaticContact CE2-CZ 3.74Å; Y146-F150 HydrophobicContact CE2-CZ 3.74Å; Y146-F150 HydrophobicContact CG-CE2 4.26Å; Y146-F150 AromaticContact CZ-CE2 3.29Å; Y146-F150 AromaticContact CZ-CZ 3.5Å; Y146-F150 VanDerWaalsContact CZ-CZ 3.5Å; Y146-F150 WeakPolarHBondContact O-CD2 3.11Å; Y146-F150 PolarHBondContact O-N 3.16Å; Y146-F150 WeakPolarHBondContact OH-CZ 3.14Å; Y146-A196 HydrophobicContact CD1-CB 3.8Å; Y146-A196 HydrophobicContact CE1-CB 4.39Å
147	S	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-44	174.9	-173.5	0	0	0	0	111.5	E143 V144 S145 F150 S195 T199	E143-S147 VanDerWaalsContact O-CB 3.25Å; E143-S147 WeakPolarHBondContact O-CB 3.28Å; E143-S147 PolarHBondContact O-N 3.24Å; V144-S147 WeakPolarHBondContact O-CB 3.3Å; V144-S147 PolarHBondContact O-N 3.27Å; S145-S147 VanDerWaalsContact C-N 3.32Å; S145-S147 PolarHBondContact O-N 3.3Å; S147-F150 PolarHBondContact O-N 3.42Å; S147-S195 VanDerWaalsContact CB-OG 3.31Å; S147-S195 WeakPolarHBondContact CB-OG 3.23Å; S147-S195 PolarHBondContact OG-O 3.42Å; S147-S195 PolarHBondContact OG-OG 3.37Å; S147-T199 VanDerWaalsContact CA-OG1 3.27Å; S147-T199 WeakPolarHBondContact CA-OG1 3.31Å; S147-T199 WeakPolarHBondContact CB-OG1 3.36Å; S147-T199 WeakPolarHBondContact O-CB 3.39Å; S147-T199 PolarHBondContact O-OG1 3.37Å; S147-T199 VanDerWaalsContact O-OG1 3.14Å; S147-T199 WeakPolarHBondContact OG-CB 3.25Å; S147-T199 WeakPolarHBondContact OG-CG2 3.46Å; S147-T199 PolarHBondContact OG-OG1 3.11Å
148	A	98.9	Very high	98.8	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-41.1	174.5	0	0	0	0	0	111.7	S115 L118 L119 V144 S145 F150 L151 Q152	S115-A148 PolarHBondContact OG-O 3.39Å; L118-A148 HydrophobicContact CB-CB 3.96Å; L118-A148 HydrophobicContact CD2-CB 4.2Å; L119-A148 HydrophobicContact CD2-CB 3.75Å; L119-A148 HydrophobicContact CG-CB 3.85Å; V144-A148 WeakPolarHBondContact O-CB 3.33Å; V144-A148 PolarHBondContact O-N 2.93Å; S145-A148 PolarHBondContact O-N 3.18Å; A148-F150 VanDerWaalsContact C-N 3.27Å; A148-F150 PolarHBondContact O-N 3.04Å; A148-L151 PolarHBondContact O-N 3.34Å; A148-Q152 PolarHBondContact O-N 2.96Å
149	S	98.9	Very high	98.8	Very high	31 Å²	31	29.4 Å²	29.4	22%	0.217	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-32.1	-178.7	74.3	0	0	0	0	113.1	S145 Y146 Q152 W153	S145-S149 PolarHBondContact O-N 3.2Å; Y146-S149 PolarHBondContact O-N 3.08Å; Y146-S149 PolarHBondContact O-OG 3.49Å; S149-Q152 PolarHBondContact O-N 2.99Å; S149-W153 WeakPolarHBondContact O-CB 3.31Å; S149-W153 PolarHBondContact O-N 3Å
150	F	98.9	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-42.4	171.6	-78.9	-66.9	0	0	0	113.2	Y146 S147 A148 Q152 W153 F154 R200 A485	Y146-F150 HydrophobicContact CD1-CE2 4.09Å; Y146-F150 HydrophobicContact CD2-CD2 4.48Å; Y146-F150 AromaticContact CD2-CE2 3.98Å; Y146-F150 HydrophobicContact CD2-CE2 3.98Å; Y146-F150 AromaticContact CE1-CE2 3.62Å; Y146-F150 HydrophobicContact CE1-CE2 3.62Å; Y146-F150 HydrophobicContact CE1-CZ 4.21Å; Y146-F150 HydrophobicContact CE2-CD2 4.33Å; Y146-F150 AromaticContact CE2-CE2 3.48Å; Y146-F150 HydrophobicContact CE2-CE2 3.48Å; Y146-F150 VanDerWaalsContact CE2-CE2 3.48Å; Y146-F150 AromaticContact CE2-CZ 3.74Å; Y146-F150 HydrophobicContact CE2-CZ 3.74Å; Y146-F150 HydrophobicContact CG-CE2 4.26Å; Y146-F150 AromaticContact CZ-CE2 3.29Å; Y146-F150 AromaticContact CZ-CZ 3.5Å; Y146-F150 VanDerWaalsContact CZ-CZ 3.5Å; Y146-F150 WeakPolarHBondContact O-CD2 3.11Å; Y146-F150 PolarHBondContact O-N 3.16Å; Y146-F150 WeakPolarHBondContact OH-CZ 3.14Å; S147-F150 PolarHBondContact O-N 3.42Å; A148-F150 VanDerWaalsContact C-N 3.27Å; A148-F150 PolarHBondContact O-N 3.04Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-W153 PolarHBondContact O-N 3.33Å; F150-F154 HydrophobicContact CD1-CE2 4.02Å; F150-F154 VanDerWaalsContact O-CD2 3.25Å; F150-F154 WeakPolarHBondContact O-CD2 3.48Å; F150-F154 PolarHBondContact O-N 3.38Å; F150-R200 HydrophobicContact CB-CB 4.4Å; F150-R200 HydrophobicContact CD1-CB 3.64Å; F150-R200 HydrophobicContact CD2-CB 3.62Å; F150-R200 HydrophobicContact CE1-CB 3.64Å; F150-R200 HydrophobicContact CE2-CB 3.62Å; F150-R200 HydrophobicContact CG-CB 3.62Å; F150-R200 HydrophobicContact CZ-CB 3.63Å; F150-A485 HydrophobicContact CD1-CB 3.81Å; F150-A485 HydrophobicContact CE1-CB 3.96Å; F150-A485 HydrophobicContact CG-CB 4.22Å; F150-A485 HydrophobicContact CZ-CB 4.48Å
151	L	98.9	Very high	98.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-41.9	176.4	-66.6	179.6	0	0	0	110.9	L111 W114 L118 A148 S155 T199	L111-L151 HydrophobicContact CD2-CD2 4.04Å; W114-L151 HydrophobicContact CB-CD1 4.16Å; W114-L151 HydrophobicContact CD2-CD1 3.73Å; W114-L151 HydrophobicContact CD2-CD2 4.35Å; W114-L151 HydrophobicContact CE3-CD1 4.21Å; W114-L151 HydrophobicContact CE3-CD2 3.99Å; W114-L151 HydrophobicContact CG-CD1 3.7Å; W114-L151 HydrophobicContact CZ3-CD2 4.23Å; L118-L151 HydrophobicContact CD1-CD1 3.99Å; L118-L151 HydrophobicContact CD2-CD1 4Å; A148-L151 PolarHBondContact O-N 3.34Å; L151-S155 VanDerWaalsContact O-CB 3.26Å; L151-S155 WeakPolarHBondContact O-CB 3.42Å; L151-S155 PolarHBondContact O-N 2.84Å; L151-T199 HydrophobicContact CD1-CG2 3.93Å; L151-T199 HydrophobicContact CD2-CG2 4.1Å; L151-T199 HydrophobicContact CG-CG2 3.87Å
152	Q	98.9	Very high	98.8	Very high	65 Å²	65	39.3 Å²	39.3	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-60.2	-52.7	173.7	180	-177.2	-17.1	0	0	111.2	A148 S149 F150 F154 S155 E156	A148-Q152 PolarHBondContact O-N 2.96Å; S149-Q152 PolarHBondContact O-N 2.99Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-F154 PolarHBondContact O-N 3.49Å; Q152-S155 WeakPolarHBondContact O-CB 3.47Å; Q152-S155 PolarHBondContact O-N 3.11Å; Q152-E156 PolarHBondContact NE2-OE1 3.01Å; Q152-E156 PolarHBondContact O-N 3.08Å
153	W	98.9	Very high	98.8	Very high	52 Å²	52	39.4 Å²	39.4	20%	0.197	19%	0.188	C	C	.	.	H	α-helix	trans	-56.1	-50.8	-178.8	176.6	-100.5	0	0	0	111.3	S149 F150 S155 E156 E157 A485 E486 S502	S149-W153 WeakPolarHBondContact O-CB 3.31Å; S149-W153 PolarHBondContact O-N 3Å; F150-W153 PolarHBondContact O-N 3.33Å; W153-S155 VanDerWaalsContact C-N 3.33Å; W153-S155 PolarHBondContact O-N 3.46Å; W153-E156 WeakPolarHBondContact O-CA 3.44Å; W153-E156 WeakPolarHBondContact O-CB 3.28Å; W153-E156 PolarHBondContact O-N 2.86Å; W153-E157 HydrophobicContact CZ2-CG 4.3Å; W153-E157 PolarHBondContact O-N 3.36Å; W153-A485 HydrophobicContact CB-CB 4.19Å; W153-E486 HydrophobicContact CD2-CG 4.4Å; W153-E486 HydrophobicContact CE3-CB 4.44Å; W153-E486 HydrophobicContact CE3-CG 3.68Å; W153-E486 HydrophobicContact CH2-CB 4.18Å; W153-E486 HydrophobicContact CH2-CG 4.1Å; W153-E486 HydrophobicContact CZ3-CB 4.1Å; W153-E486 HydrophobicContact CZ3-CG 3.51Å; W153-S502 PolarHBondContact NE1-O 3.34Å
154	F	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74.5	-22.4	-179.3	-72.5	-61.8	0	0	0	113.7	F150 Q152 E156 E157 A158 R200 G203 A204 A207 I506	F150-F154 HydrophobicContact CD1-CE2 4.02Å; F150-F154 VanDerWaalsContact O-CD2 3.25Å; F150-F154 WeakPolarHBondContact O-CD2 3.48Å; F150-F154 PolarHBondContact O-N 3.38Å; Q152-F154 PolarHBondContact O-N 3.49Å; F154-E156 PolarHBondContact O-N 3.26Å; F154-E157 HydrophobicContact CD1-CB 4.11Å; F154-E157 HydrophobicContact CD1-CG 4.34Å; F154-E157 PolarHBondContact O-N 2.9Å; F154-A158 WeakPolarHBondContact O-CB 3.22Å; F154-A158 PolarHBondContact O-N 3.04Å; F154-R200 WeakPolarHBondContact CE2-O 2.97Å; F154-G203 VanDerWaalsContact CB-C 3.43Å; F154-G203 WeakPolarHBondContact CB-O 3.36Å; F154-A204 HydrophobicContact CD1-CB 3.9Å; F154-A204 HydrophobicContact CD2-CB 4Å; F154-A204 HydrophobicContact CE1-CB 3.7Å; F154-A204 HydrophobicContact CE2-CB 3.78Å; F154-A204 HydrophobicContact CG-CB 4.06Å; F154-A204 HydrophobicContact CZ-CB 3.64Å; F154-A207 HydrophobicContact CB-CB 3.95Å; F154-A207 WeakPolarHBondContact O-CB 3.35Å; F154-I506 HydrophobicContact CD1-CB 4.45Å; F154-I506 HydrophobicContact CE1-CB 4.27Å
155	S	98.9	Very high	98.8	Very high	5 Å²	5	49.8 Å²	49.8	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-41.1	163.9	140.1	0	0	0	0	110.7	S108 L151 Q152 W153	S108-S155 WeakPolarHBondContact CB-O 3.31Å; S108-S155 WeakPolarHBondContact O-CB 3.38Å; S108-S155 PolarHBondContact O-OG 3.31Å; S108-S155 PolarHBondContact OG-O 3.09Å; S108-S155 PolarHBondContact OG-OG 3.22Å; L151-S155 VanDerWaalsContact O-CB 3.26Å; L151-S155 WeakPolarHBondContact O-CB 3.42Å; L151-S155 PolarHBondContact O-N 2.84Å; Q152-S155 WeakPolarHBondContact O-CB 3.47Å; Q152-S155 PolarHBondContact O-N 3.11Å; W153-S155 VanDerWaalsContact C-N 3.33Å; W153-S155 PolarHBondContact O-N 3.46Å
156	E	98.9	Very high	98.7	Very high	65 Å²	65	50.2 Å²	50.2	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-75.1	-41.9	179.9	-63.4	174	-158.5	0	0	111.2	Q152 W153 F154 A158 R159 R160	Q152-E156 PolarHBondContact NE2-OE1 3.01Å; Q152-E156 PolarHBondContact O-N 3.08Å; W153-E156 WeakPolarHBondContact O-CA 3.44Å; W153-E156 WeakPolarHBondContact O-CB 3.28Å; W153-E156 PolarHBondContact O-N 2.86Å; F154-E156 PolarHBondContact O-N 3.26Å; E156-A158 VanDerWaalsContact C-N 3.28Å; E156-A158 PolarHBondContact O-N 3.03Å; E156-R159 PolarHBondContact O-N 3Å; E156-R160 VanDerWaalsContact C-NH1 3.33Å; E156-R160 PolarHBondContact O-NH1 2.87Å
157	E	98.9	Very high	98.6	Very high	20 Å²	20	54.4 Å²	54.4	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-24.9	178.2	-69.1	-62.1	92.6	0	0	113.6	W153 F154 R159 R160 K503 I506	W153-E157 HydrophobicContact CZ2-CG 4.3Å; W153-E157 PolarHBondContact O-N 3.36Å; F154-E157 HydrophobicContact CD1-CB 4.11Å; F154-E157 HydrophobicContact CD1-CG 4.34Å; F154-E157 PolarHBondContact O-N 2.9Å; E157-R159 PolarHBondContact O-N 2.87Å; E157-R160 PolarHBondContact O-N 3.33Å; E157-R160 VanDerWaalsContact OE1-CD 3.32Å; E157-R160 WeakPolarHBondContact OE1-CD 3.38Å; E157-K503 WeakPolarHBondContact OE2-CA 3.4Å; E157-I506 HydrophobicContact CB-CD1 4.09Å
158	A	98.8	Very high	98.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32	177.4	0	0	0	0	0	113	A104 F154 E156 A207	A104-A158 WeakPolarHBondContact CB-O 3.41Å; F154-A158 WeakPolarHBondContact O-CB 3.22Å; F154-A158 PolarHBondContact O-N 3.04Å; E156-A158 VanDerWaalsContact C-N 3.28Å; E156-A158 PolarHBondContact O-N 3.03Å; A158-A207 HydrophobicContact CB-CB 3.82Å
159	R	98.8	Very high	98.4	Very high	150 Å²	150	62 Å²	62	57%	0.566	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2	-179.2	-60.8	179.2	65.3	-170.9	-4	114	A104 E156 E157	A104-R159 HydrophobicContact CB-CG 4.28Å; E156-R159 PolarHBondContact O-N 3Å; E157-R159 PolarHBondContact O-N 2.87Å
160	R	98.8	Very high	98.3	Very high	113 Å²	113	62 Å²	62	43%	0.426	33%	0.325	S	S	.	.			trans	-116.9	19.3	-175.1	-62.5	-178.6	170.5	86.8	-12.2	112.8	E156 E157 Y162	E156-R160 VanDerWaalsContact C-NH1 3.33Å; E156-R160 PolarHBondContact O-NH1 2.87Å; E157-R160 PolarHBondContact O-N 3.33Å; E157-R160 VanDerWaalsContact OE1-CD 3.32Å; E157-R160 WeakPolarHBondContact OE1-CD 3.38Å; R160-Y162 VanDerWaalsContact C-N 3.33Å; R160-Y162 HydrophobicContact CB-CE2 3.92Å; R160-Y162 HydrophobicContact CG-CE2 4.44Å; R160-Y162 WeakPolarHBondContact O-CD2 3.44Å; R160-Y162 WeakPolarHBondContact O-CE2 3.33Å; R160-Y162 PolarHBondContact O-N 2.84Å
161	V	98.7	Very high	98.2	Very high	44 Å²	44	64.9 Å²	64.9	27%	0.267	35%	0.35	S	S	.	.			trans	-75.5	87.7	170	-178.9	0	0	0	0	109	K179 I506 L510	V161-K179 HydrophobicContact CG1-CB 3.56Å; V161-K179 HydrophobicContact CG1-CD 4.18Å; V161-K179 HydrophobicContact CG1-CG 4.47Å; V161-I506 HydrophobicContact CG2-CD1 3.6Å; V161-I506 HydrophobicContact CG2-CG1 4.38Å; V161-L510 HydrophobicContact CB-CD1 4.43Å; V161-L510 HydrophobicContact CG1-CD1 3.64Å; V161-L510 HydrophobicContact CG1-CD2 4.14Å; V161-L510 HydrophobicContact CG2-CD1 3.93Å
162	Y	98.8	Very high	98.1	Very high	153 Å²	153	67.8 Å²	67.8	60%	0.6	37%	0.365	S	S	*	.			trans	-86.9	139.5	178.5	-53.6	-56.8	0	0	0	111.2	R160 K179	R160-Y162 VanDerWaalsContact C-N 3.33Å; R160-Y162 HydrophobicContact CB-CE2 3.92Å; R160-Y162 HydrophobicContact CG-CE2 4.44Å; R160-Y162 WeakPolarHBondContact O-CD2 3.44Å; R160-Y162 WeakPolarHBondContact O-CE2 3.33Å; R160-Y162 PolarHBondContact O-N 2.84Å; Y162-K179 WeakPolarHBondContact O-CD 3.3Å
163	G	98.3	Very high	98	Very high	42 Å²	42	69.1 Å²	69.1	43%	0.433	37%	0.367	S	S	.	.			trans	-97.3	-176.2	163.6	0	0	0	0	0	111.2	L177	G163-L177 CarbonylContact C-O 3.57Å; G163-L177 WeakPolarHBondContact CA-O 3.25Å
164	D	98.6	Very high	98	Very high	86 Å²	86	71.9 Å²	71.9	46%	0.46	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.7	-176.5	-52.7	-80.4	0	0	0	111.8	V166 L176 L177	D164-V166 HydrophobicContact CB-CG2 4.36Å; D164-L176 CarbonylContact O-C 3.52Å; D164-L176 WeakPolarHBondContact O-CA 3.49Å; D164-L177 HydrophobicContact CB-CB 4.01Å; D164-L177 HydrophobicContact CB-CD1 4.07Å; D164-L177 HydrophobicContact CB-CG 4.17Å; D164-L177 PolarHBondContact N-O 2.9Å; D164-L177 PolarHBondContact O-N 3.15Å
165	I	98.4	Very high	97.9	Very high	135 Å²	135	73.1 Å²	73.1	69%	0.692	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.4	164.7	-52.4	-172.1	0	0	0	106.7	L176	I165-L176 HydrophobicContact CB-CD2 4.19Å; I165-L176 HydrophobicContact CD1-CD2 3.98Å; I165-L176 HydrophobicContact CG1-CD2 3.63Å; I165-L176 HydrophobicContact CG2-CD2 3.96Å
166	V	97.4	Very high	97.9	Very high	61 Å²	61	74.7 Å²	74.7	37%	0.37	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.6	-175.9	-175.6	0	0	0	0	109.5	D164 S168 L175 L177	D164-V166 HydrophobicContact CB-CG2 4.36Å; V166-S168 PolarHBondContact O-N 3.04Å; V166-L175 HydrophobicContact CB-CB 4.17Å; V166-L175 PolarHBondContact N-O 2.88Å; V166-L177 HydrophobicContact CG2-CD1 4.22Å; V166-L177 HydrophobicContact CG2-CG 4.42Å
167	P	97.1	Very high	97.9	Very high	118 Å²	118	73.7 Å²	73.7	77%	0.766	39%	0.389	S	S	*	.			trans	-53.4	127.3	171.8	-27.2	35.7	0	0	0	111.4
168	S	96.1	Very high	97.9	Very high	30 Å²	30	76.2 Å²	76.2	21%	0.21	40%	0.402	C	S	.	.			trans	-80	137.5	177	175.4	0	0	0	0	110.2	V166 A170 R173	V166-S168 PolarHBondContact O-N 3.04Å; S168-A170 VanDerWaalsContact CB-O 3.27Å; S168-A170 WeakPolarHBondContact CB-O 3.26Å; S168-A170 PolarHBondContact O-N 2.89Å; S168-A170 PolarHBondContact OG-N 3.15Å; S168-A170 PolarHBondContact OG-O 3.37Å; S168-R173 VanDerWaalsContact CB-O 3.22Å; S168-R173 WeakPolarHBondContact CB-O 3.5Å; S168-R173 WeakPolarHBondContact OG-CG 3.16Å
169	P	96.9	Very high	97.9	Very high	131 Å²	131	79.1 Å²	79.1	85%	0.851	42%	0.415	S	S	*	.	S	Bend	trans	-69.5	-16	169.5	30.2	-35	0	0	0	112.7
170	A	96.8	Very high	97.9	Very high	30 Å²	30	75.7 Å²	75.7	25%	0.248	41%	0.405	C	S	.	.	S	Bend	trans	-112.1	136	176.8	0	0	0	0	0	111.4	S168 D172 R173	S168-A170 VanDerWaalsContact CB-O 3.27Å; S168-A170 WeakPolarHBondContact CB-O 3.26Å; S168-A170 PolarHBondContact O-N 2.89Å; S168-A170 PolarHBondContact OG-N 3.15Å; S168-A170 PolarHBondContact OG-O 3.37Å; A170-D172 VanDerWaalsContact C-N 3.3Å; A170-D172 PolarHBondContact O-N 3.29Å; A170-R173 HydrophobicContact CB-CG 4.17Å
171	A	96.4	Very high	97.9	Very high	62 Å²	62	71.7 Å²	71.7	51%	0.512	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.7	-174.3	0	0	0	0	0	114	R173 R174 P522	A171-R173 VanDerWaalsContact C-N 3.31Å; A171-R173 PolarHBondContact O-N 3.41Å; A171-R174 PolarHBondContact O-NH1 3.11Å; A171-P522 HydrophobicContact CB-CB 4.19Å; A171-P522 HydrophobicContact CB-CG 4.36Å
172	D	96.8	Very high	97.9	Very high	60 Å²	60	70.6 Å²	70.6	32%	0.321	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	7.8	-171.9	70.7	-20.7	0	0	0	114.8	A170 G519 L520	A170-D172 VanDerWaalsContact C-N 3.3Å; A170-D172 PolarHBondContact O-N 3.29Å; D172-G519 PolarHBondContact O-N 3.4Å; D172-L520 WeakPolarHBondContact O-CB 3.46Å; D172-L520 PolarHBondContact O-N 2.89Å; D172-L520 VanDerWaalsContact O-N 3.14Å
173	R	97.2	Very high	97.9	Very high	93 Å²	93	63.5 Å²	63.5	35%	0.351	36%	0.361	S	S	.	.			trans	-147.5	163.6	-177.2	70.2	-160.7	69.7	-168	-0.6	113.8	S168 A170 A171 L175 F517	S168-R173 VanDerWaalsContact CB-O 3.22Å; S168-R173 WeakPolarHBondContact CB-O 3.5Å; S168-R173 WeakPolarHBondContact OG-CG 3.16Å; A170-R173 HydrophobicContact CB-CG 4.17Å; A171-R173 VanDerWaalsContact C-N 3.31Å; A171-R173 PolarHBondContact O-N 3.41Å; R173-L175 HydrophobicContact CG-CD2 4.36Å; R173-F517 CarbonylContact C-O 3.55Å; R173-F517 WeakPolarHBondContact CA-O 3.13Å; R173-F517 WeakPolarHBondContact CB-O 3.28Å
174	R	97.8	Very high	97.9	Very high	111 Å²	111	61.6 Å²	61.6	42%	0.419	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.4	170.5	-61.4	-64.6	177.9	-86.8	-1.2	109.7	A171 F517 L520	A171-R174 PolarHBondContact O-NH1 3.11Å; R174-F517 HydrophobicContact CB-CB 4.48Å; R174-F517 PolarHBondContact N-O 3.33Å; R174-F517 PolarHBondContact O-N 3Å; R174-L520 HydrophobicContact CB-CD1 4.44Å; R174-L520 HydrophobicContact CG-CD1 3.62Å
175	L	98.4	Very high	97.9	Very high	26 Å²	26	57.5 Å²	57.5	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121	179.9	-45.4	-174.2	0	0	0	108.6	V166 R173 Y514	V166-L175 HydrophobicContact CB-CB 4.17Å; V166-L175 PolarHBondContact N-O 2.88Å; R173-L175 HydrophobicContact CG-CD2 4.36Å; L175-Y514 HydrophobicContact CB-CE2 4.04Å; L175-Y514 HydrophobicContact CD2-CE2 3.89Å; L175-Y514 WeakPolarHBondContact CD2-OH 3.44Å; L175-Y514 HydrophobicContact CG-CE2 4.43Å
176	L	98.6	Very high	98	Very high	37 Å²	37	51 Å²	51	19%	0.194	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131	-177.8	-58.3	169.9	0	0	0	108.9	D164 I165 M515 F517	D164-L176 CarbonylContact O-C 3.52Å; D164-L176 WeakPolarHBondContact O-CA 3.49Å; I165-L176 HydrophobicContact CB-CD2 4.19Å; I165-L176 HydrophobicContact CD1-CD2 3.98Å; I165-L176 HydrophobicContact CG1-CD2 3.63Å; I165-L176 HydrophobicContact CG2-CD2 3.96Å; L176-M515 HydrophobicContact CB-CB 4.29Å; L176-M515 HydrophobicContact CB-CE 4.19Å; L176-M515 HydrophobicContact CD1-CE 3.31Å; L176-M515 HydrophobicContact CG-CE 4.36Å; L176-M515 PolarHBondContact N-O 3.41Å; L176-M515 PolarHBondContact O-N 2.89Å; L176-F517 HydrophobicContact CD1-CB 4.42Å
177	L	98.6	Very high	98	Very high	45 Å²	45	48.1 Å²	48.1	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	174.6	-51.8	-174.5	0	0	0	108.6	G163 D164 V166 V512 K513 Y514	G163-L177 CarbonylContact C-O 3.57Å; G163-L177 WeakPolarHBondContact CA-O 3.25Å; D164-L177 HydrophobicContact CB-CB 4.01Å; D164-L177 HydrophobicContact CB-CD1 4.07Å; D164-L177 HydrophobicContact CB-CG 4.17Å; D164-L177 PolarHBondContact N-O 2.9Å; D164-L177 PolarHBondContact O-N 3.15Å; V166-L177 HydrophobicContact CG2-CD1 4.22Å; V166-L177 HydrophobicContact CG2-CG 4.42Å; L177-V512 HydrophobicContact CB-CG1 4.16Å; L177-K513 WeakPolarHBondContact CA-O 3.38Å; L177-Y514 HydrophobicContact CD2-CD2 3.94Å; L177-Y514 HydrophobicContact CD2-CG 4.34Å
178	L	98.5	Very high	98.1	Very high	72 Å²	72	43.4 Å²	43.4	38%	0.377	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.4	176.7	-55.4	177.7	0	0	0	109.7	V512 K513	L178-V512 CarbonylContact O-C 3.41Å; L178-V512 WeakPolarHBondContact O-CA 3.39Å; L178-K513 HydrophobicContact CB-CB 4.41Å; L178-K513 PolarHBondContact N-O 3.28Å; L178-K513 PolarHBondContact O-N 3.25Å
179	K	98.8	Very high	98.2	Very high	63 Å²	63	42.2 Å²	42.2	27%	0.274	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127	170	-68.5	-172.2	179.9	-171.2	0	110.2	V161 Y162 D507 L510 E511 V512	V161-K179 HydrophobicContact CG1-CB 3.56Å; V161-K179 HydrophobicContact CG1-CD 4.18Å; V161-K179 HydrophobicContact CG1-CG 4.47Å; Y162-K179 WeakPolarHBondContact O-CD 3.3Å; K179-D507 IonicContact NZ-OD1 2.71Å; K179-D507 PolarHBondContact NZ-OD1 2.99Å; K179-D507 IonicContact NZ-OD2 3.51Å; K179-L510 HydrophobicContact CB-CB 4.41Å; K179-L510 HydrophobicContact CB-CD1 4.28Å; K179-L510 HydrophobicContact CB-CD2 4.44Å; K179-L510 HydrophobicContact CD-CD1 4.14Å; K179-E511 CarbonylContact C-O 3.29Å; K179-E511 WeakPolarHBondContact CA-O 3.49Å; K179-V512 HydrophobicContact CG-CG2 4.34Å
180	Q	98.8	Very high	98.3	Very high	77 Å²	77	37 Å²	37	36%	0.36	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.5	-175.8	-59.6	-166.4	-85.5	0	0	111.4	L510 E511	Q180-L510 CarbonylContact O-C 3.49Å; Q180-L510 VanDerWaalsContact O-CA 3.32Å; Q180-L510 WeakPolarHBondContact O-CA 3.32Å; Q180-E511 PolarHBondContact N-O 3.06Å; Q180-E511 PolarHBondContact O-N 3.16Å
181	P	98.9	Very high	98.4	Very high	30 Å²	30	37.7 Å²	37.7	20%	0.195	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	142	-178.3	23.3	-33.3	0	0	0	112.5	F96 K100 G183 A208 Y509	F96-P181 HydrophobicContact CE2-CB 4.05Å; F96-P181 HydrophobicContact CE2-CG 3.93Å; F96-P181 HydrophobicContact CZ-CG 4.31Å; K100-P181 HydrophobicContact CB-CG 4.07Å; P181-G183 VanDerWaalsContact C-N 3.34Å; P181-G183 PolarHBondContact O-N 3.49Å; P181-A208 WeakPolarHBondContact CB-O 3.33Å; P181-Y509 WeakPolarHBondContact CA-O 3.37Å
182	V	98.8	Very high	98.5	Very high	21 Å²	21	35 Å²	35	13%	0.127	17%	0.167	C	C	.	.			trans	-65.7	-31.5	179.4	-67.7	0	0	0	0	113.5	C210 A265 K266 R289 Y509 E511	V182-C210 VanDerWaalsContact CG2-SG 3.52Å; V182-A265 VanDerWaalsContact O-CB 3.25Å; V182-A265 WeakPolarHBondContact O-CB 2.9Å; V182-K266 HydrophobicContact CG2-CB 3.86Å; V182-K266 HydrophobicContact CG2-CG 4.38Å; V182-R289 VanDerWaalsContact CG1-CZ 3.42Å; V182-R289 VanDerWaalsContact CG1-NH2 3.25Å; V182-Y509 PolarHBondContact N-O 3.24Å; V182-E511 HydrophobicContact CG1-CG 3.96Å
183	G	98.8	Very high	98.5	Very high	4 Å²	4	33.1 Å²	33.1	4%	0.041	16%	0.156	C	C	.	.			trans	130.8	-140.1	-176.7	0	0	0	0	0	113.6	P181 C210 T211	P181-G183 VanDerWaalsContact C-N 3.34Å; P181-G183 PolarHBondContact O-N 3.49Å; G183-C210 WeakPolarHBondContact O-CA 3.43Å; G183-C210 WeakPolarHBondContact O-CB 3.29Å; G183-C210 PolarHBondContact O-SG 2.87Å; G183-T211 PolarHBondContact O-N 3.47Å
184	V	98.9	Very high	98.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131	173.9	-177.8	0	0	0	0	109.6	A92 Y93 V213 L263 V264 A265 K266	A92-V184 HydrophobicContact CB-CG1 3.7Å; A92-V184 HydrophobicContact CB-CG2 4.17Å; Y93-V184 VanDerWaalsContact CA-CG2 3.48Å; Y93-V184 HydrophobicContact CD2-CG2 4.04Å; Y93-V184 HydrophobicContact CG-CG2 4.46Å; V184-V213 HydrophobicContact CG1-CG2 4.43Å; V184-L263 WeakPolarHBondContact CB-O 3.32Å; V184-V264 HydrophobicContact CG1-CG2 4.26Å; V184-A265 PolarHBondContact O-N 3.37Å; V184-K266 PolarHBondContact O-N 3.22Å
185	A	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.1	176	0	0	0	0	0	112	I187 T211 V212 V213 K266 Y509	A185-I187 HydrophobicContact CB-CD1 4.15Å; A185-T211 PolarHBondContact N-O 3.4Å; A185-V212 HydrophobicContact CB-CG1 4.4Å; A185-V212 VanDerWaalsContact O-CA 3.24Å; A185-V212 WeakPolarHBondContact O-CA 3.41Å; A185-V213 PolarHBondContact O-N 3.26Å; A185-K266 CarbonylContact C-O 3.52Å; A185-K266 VanDerWaalsContact CA-O 3.31Å; A185-K266 WeakPolarHBondContact CA-O 3.31Å; A185-K266 HydrophobicContact CB-CB 3.84Å; A185-K266 HydrophobicContact CB-CG 3.98Å; A185-Y509 HydrophobicContact CB-CD1 4.28Å; A185-Y509 HydrophobicContact CB-CE1 4.06Å
186	T	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.7	168.1	-72	0	0	0	0	109.9	I188 L258 V264 K266 S268	T186-I188 HydrophobicContact CG2-CD1 3.94Å; T186-I188 HydrophobicContact CG2-CG1 3.83Å; T186-L258 HydrophobicContact CG2-CB 3.62Å; T186-L258 HydrophobicContact CG2-CD1 4.35Å; T186-L258 PolarHBondContact OG1-O 3.37Å; T186-V264 WeakPolarHBondContact OG1-CG1 3.35Å; T186-K266 PolarHBondContact N-O 2.97Å; T186-S268 PolarHBondContact O-N 3.5Å
187	I	98.9	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.7	-176.5	-53.4	-55.5	0	0	0	108.4	A185 T189 K201 V202 V212 V213 V214 K215 S268 Y509	A185-I187 HydrophobicContact CB-CD1 4.15Å; I187-T189 HydrophobicContact CG2-CG2 4Å; I187-K201 HydrophobicContact CD1-CB 4.11Å; I187-K201 HydrophobicContact CG2-CB 3.88Å; I187-K201 HydrophobicContact CG2-CD 3.6Å; I187-K201 HydrophobicContact CG2-CG 4.37Å; I187-V202 HydrophobicContact CG1-CG2 4.35Å; I187-V202 HydrophobicContact CG2-CG2 4.38Å; I187-V212 HydrophobicContact CD1-CG1 4.36Å; I187-V212 HydrophobicContact CG1-CB 3.92Å; I187-V212 HydrophobicContact CG1-CG1 3.93Å; I187-V213 PolarHBondContact N-O 3.5Å; I187-V214 HydrophobicContact CB-CG2 4.07Å; I187-V214 HydrophobicContact CG2-CG2 4.36Å; I187-V214 CarbonylContact O-C 3.6Å; I187-V214 VanDerWaalsContact O-CA 3.24Å; I187-V214 WeakPolarHBondContact O-CA 3.26Å; I187-K215 PolarHBondContact O-N 2.89Å; I187-S268 WeakPolarHBondContact CA-O 3.49Å; I187-Y509 HydrophobicContact CD1-CE1 4.35Å
188	I	98.8	Very high	98.7	Very high	18 Å²	18	18.9 Å²	18.9	9%	0.092	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.5	-179.9	-60.1	168.4	0	0	0	108.2	T186 K215 S268 F269 T270 L279	T186-I188 HydrophobicContact CG2-CD1 3.94Å; T186-I188 HydrophobicContact CG2-CG1 3.83Å; I188-K215 HydrophobicContact CG1-CB 4.26Å; I188-K215 HydrophobicContact CG2-CD 4.44Å; I188-S268 PolarHBondContact N-O 3.05Å; I188-F269 HydrophobicContact CB-CD2 3.79Å; I188-F269 HydrophobicContact CG2-CD2 3.61Å; I188-F269 HydrophobicContact CG2-CE2 3.88Å; I188-F269 WeakPolarHBondContact O-CA 3.27Å; I188-T270 PolarHBondContact O-N 2.74Å; I188-L279 HydrophobicContact CD1-CD1 4.02Å; I188-L279 HydrophobicContact CD1-CD2 4.48Å
189	T	98.8	Very high	98.7	Very high	6 Å²	6	15.4 Å²	15.4	4%	0.037	8%	0.078	C	C	.	.			trans	-124.3	148.4	-169.6	53.9	0	0	0	0	113.1	I187 M197 I198 K201 K215 A217	I187-T189 HydrophobicContact CG2-CG2 4Å; T189-M197 HydrophobicContact CG2-CB 3.88Å; T189-I198 HydrophobicContact CG2-CG1 3.84Å; T189-K201 HydrophobicContact CG2-CD 4.06Å; T189-K215 PolarHBondContact N-O 3.41Å; T189-A217 PolarHBondContact O-N 3.25Å; T189-A217 VanDerWaalsContact O-N 3.11Å
190	P	98.4	Very high	98.7	Very high	21 Å²	21	12.8 Å²	12.8	14%	0.136	7%	0.066	C	C	.	.			trans	-82.1	177.1	178.6	38.7	-40.4	0	0	0	111.4	N192 M197 T270	P190-N192 WeakPolarHBondContact CG-OD1 3.43Å; P190-M197 HydrophobicContact CG-CG 3.91Å; P190-T270 VanDerWaalsContact CD-O 3.3Å; P190-T270 WeakPolarHBondContact CD-O 3.26Å; P190-T270 HydrophobicContact CG-CG2 3.82Å
191	W	98.4	Very high	98.7	Very high	45 Å²	45	9.1 Å²	9.1	17%	0.17	5%	0.049	C	C	.	.	S	Bend	trans	-85.5	-20.5	-178.1	53	-101	0	0	0	115	F193 P194 A217 D219 T220 Q325 I371 F425	W191-F193 PolarHBondContact O-N 2.8Å; W191-P194 WeakPolarHBondContact O-CD 3.49Å; W191-A217 HydrophobicContact CB-CB 3.77Å; W191-D219 HydrophobicContact CB-CB 4.08Å; W191-T220 WeakPolarHBondContact CA-OG1 2.93Å; W191-T220 HydrophobicContact CB-CG2 3.89Å; W191-T220 WeakPolarHBondContact CB-OG1 3.17Å; W191-Q325 HydrophobicContact CH2-CB 3.63Å; W191-Q325 HydrophobicContact CH2-CG 3.87Å; W191-Q325 HydrophobicContact CZ3-CB 3.84Å; W191-Q325 HydrophobicContact CZ3-CG 4.29Å; W191-I371 HydrophobicContact CD2-CB 4.08Å; W191-I371 HydrophobicContact CD2-CD1 4.22Å; W191-I371 HydrophobicContact CD2-CG1 3.75Å; W191-I371 HydrophobicContact CD2-CG2 4.17Å; W191-I371 HydrophobicContact CE3-CB 3.81Å; W191-I371 HydrophobicContact CE3-CD1 3.82Å; W191-I371 HydrophobicContact CE3-CG1 3.7Å; W191-I371 HydrophobicContact CE3-CG2 4.28Å; W191-I371 HydrophobicContact CG-CG1 4.15Å; W191-I371 HydrophobicContact CH2-CB 3.73Å; W191-I371 HydrophobicContact CH2-CG1 4.47Å; W191-I371 HydrophobicContact CH2-CG2 3.54Å; W191-I371 HydrophobicContact CZ2-CB 4.04Å; W191-I371 HydrophobicContact CZ2-CG2 3.44Å; W191-I371 VanDerWaalsContact CZ2-CG2 3.44Å; W191-I371 HydrophobicContact CZ3-CB 3.63Å; W191-I371 HydrophobicContact CZ3-CD1 4.34Å; W191-I371 HydrophobicContact CZ3-CG1 4.09Å; W191-I371 HydrophobicContact CZ3-CG2 4Å; W191-F425 AromaticContact CH2-CD1 3.67Å; W191-F425 HydrophobicContact CH2-CD1 3.67Å; W191-F425 AromaticContact CH2-CE1 3.39Å; W191-F425 HydrophobicContact CH2-CE1 3.39Å; W191-F425 AromaticContact CZ2-CD1 3.74Å; W191-F425 HydrophobicContact CZ2-CD1 3.74Å; W191-F425 AromaticContact CZ2-CE1 3.47Å; W191-F425 HydrophobicContact CZ2-CE1 3.47Å; W191-F425 VanDerWaalsContact CZ2-CE1 3.47Å; W191-F425 HydrophobicContact CZ3-CE1 4.23Å
192	N	97.9	Very high	98.7	Very high	5 Å²	5	7.7 Å²	7.7	3%	0.027	4%	0.04	C	C	.	.	S	Bend	trans	-68	-30.7	-168.4	62.3	-22.9	0	0	0	114.3	K135 P190 N322 Q325 F425	K135-N192 PolarHBondContact NZ-O 3.41Å; P190-N192 WeakPolarHBondContact CG-OD1 3.43Å; N192-N322 PolarHBondContact O-ND2 2.93Å; N192-Q325 VanDerWaalsContact CB-O 3.26Å; N192-Q325 WeakPolarHBondContact CB-O 3.31Å; N192-F425 HydrophobicContact CB-CE1 4.19Å; N192-F425 HydrophobicContact CB-CZ 4.13Å
193	F	98.6	Very high	98.7	Very high	20 Å²	20	6.7 Å²	6.7	9%	0.088	3%	0.033	C	C	.	.	S	Bend	trans	-135.4	77.3	171.5	-73.6	-92.5	0	0	0	108.2	E143 W191 S195 A196 M197 T326	E143-F193 HydrophobicContact CB-CD1 4.31Å; E143-F193 HydrophobicContact CG-CD1 3.91Å; E143-F193 WeakPolarHBondContact OE1-CA 3.3Å; E143-F193 WeakPolarHBondContact OE1-CB 3.45Å; E143-F193 WeakPolarHBondContact OE2-CD1 3.38Å; W191-F193 PolarHBondContact O-N 2.8Å; F193-S195 PolarHBondContact O-N 2.98Å; F193-S195 VanDerWaalsContact O-N 3.13Å; F193-A196 HydrophobicContact CB-CB 4.37Å; F193-M197 HydrophobicContact CB-CE 3.83Å; F193-M197 HydrophobicContact CB-CG 3.8Å; F193-M197 HydrophobicContact CD2-CE 3.85Å; F193-M197 HydrophobicContact CG-CE 4.1Å; F193-M197 VanDerWaalsContact O-CB 3.32Å; F193-M197 WeakPolarHBondContact O-CB 2.97Å; F193-M197 WeakPolarHBondContact O-CG 2.98Å; F193-M197 PolarHBondContact O-N 3.25Å; F193-M197 VanDerWaalsContact O-N 3.12Å; F193-T326 HydrophobicContact CE2-CG2 3.51Å; F193-T326 HydrophobicContact CZ-CG2 3.74Å
194	P	98.8	Very high	98.7	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.013	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.8	-166.3	32.6	-38.2	0	0	0	113.6	I129 E143 W191 I198 T220	I129-P194 HydrophobicContact CG1-CG 4.12Å; I129-P194 HydrophobicContact CG2-CG 4.05Å; E143-P194 VanDerWaalsContact OE1-CD 3.27Å; E143-P194 WeakPolarHBondContact OE1-CD 3.34Å; W191-P194 WeakPolarHBondContact O-CD 3.49Å; P194-I198 WeakPolarHBondContact O-CD1 3.44Å; P194-T220 HydrophobicContact CB-CG2 4.35Å; P194-T220 WeakPolarHBondContact CB-OG1 3.43Å
195	S	98.8	Very high	98.7	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.021	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-54.3	172.6	-173.4	0	0	0	0	111.5	E143 S147 F193 M197 I198 T199	E143-S195 PolarHBondContact OE1-N 3.34Å; S147-S195 VanDerWaalsContact CB-OG 3.31Å; S147-S195 WeakPolarHBondContact CB-OG 3.23Å; S147-S195 PolarHBondContact OG-O 3.42Å; S147-S195 PolarHBondContact OG-OG 3.37Å; F193-S195 PolarHBondContact O-N 2.98Å; F193-S195 VanDerWaalsContact O-N 3.13Å; S195-M197 VanDerWaalsContact C-N 3.31Å; S195-M197 PolarHBondContact O-N 2.93Å; S195-I198 WeakPolarHBondContact O-CB 3.24Å; S195-I198 PolarHBondContact O-N 3.49Å; S195-T199 PolarHBondContact O-N 2.85Å; S195-T199 VanDerWaalsContact O-N 3.17Å; S195-T199 PolarHBondContact O-OG1 2.98Å
196	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	-70.3	-23.2	-170.8	0	0	0	0	0	114.2	E143 Y146 F193 I198 R200	E143-A196 HydrophobicContact CG-CB 3.87Å; E143-A196 PolarHBondContact OE1-N 2.84Å; Y146-A196 HydrophobicContact CD1-CB 3.8Å; Y146-A196 HydrophobicContact CE1-CB 4.39Å; F193-A196 HydrophobicContact CB-CB 4.37Å; A196-I198 VanDerWaalsContact C-N 3.29Å; A196-R200 WeakPolarHBondContact O-CB 3.36Å; A196-R200 VanDerWaalsContact O-CG 3.31Å; A196-R200 WeakPolarHBondContact O-CG 3.39Å; A196-R200 PolarHBondContact O-N 2.97Å; A196-R200 PolarHBondContact O-NE 3.2Å
197	M	98.8	Very high	98.8	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-71.4	-27.7	173.2	-66.9	-64.7	157.2	0	0	112.5	T189 P190 F193 S195 R200 K201 T270	T189-M197 HydrophobicContact CG2-CB 3.88Å; P190-M197 HydrophobicContact CG-CG 3.91Å; F193-M197 HydrophobicContact CB-CE 3.83Å; F193-M197 HydrophobicContact CB-CG 3.8Å; F193-M197 HydrophobicContact CD2-CE 3.85Å; F193-M197 HydrophobicContact CG-CE 4.1Å; F193-M197 VanDerWaalsContact O-CB 3.32Å; F193-M197 WeakPolarHBondContact O-CB 2.97Å; F193-M197 WeakPolarHBondContact O-CG 2.98Å; F193-M197 PolarHBondContact O-N 3.25Å; F193-M197 VanDerWaalsContact O-N 3.12Å; S195-M197 VanDerWaalsContact C-N 3.31Å; S195-M197 PolarHBondContact O-N 2.93Å; M197-R200 WeakPolarHBondContact O-CG 3.45Å; M197-R200 PolarHBondContact SD-NH1 2.98Å; M197-R200 VanDerWaalsContact SD-NH1 3.37Å; M197-K201 WeakPolarHBondContact O-CD 3.32Å; M197-K201 WeakPolarHBondContact O-CG 3.49Å; M197-T270 HydrophobicContact SD-CG2 3.91Å
198	I	98.9	Very high	98.8	Very high	6 Å²	6	6.7 Å²	6.7	3%	0.031	3%	0.033	C	C	.	.	H	α-helix	trans	-79.4	-54.4	178.7	-62.5	175.1	0	0	0	109	T189 P194 S195 A196 R200 K201 V202 V214 A224 L227	T189-I198 HydrophobicContact CG2-CG1 3.84Å; P194-I198 WeakPolarHBondContact O-CD1 3.44Å; S195-I198 WeakPolarHBondContact O-CB 3.24Å; S195-I198 PolarHBondContact O-N 3.49Å; A196-I198 VanDerWaalsContact C-N 3.29Å; I198-R200 PolarHBondContact O-N 2.95Å; I198-K201 PolarHBondContact O-N 3.1Å; I198-V202 HydrophobicContact CG2-CB 4.45Å; I198-V202 HydrophobicContact CG2-CG2 3.7Å; I198-V202 WeakPolarHBondContact O-CB 3.48Å; I198-V202 WeakPolarHBondContact O-CG2 3.47Å; I198-V202 PolarHBondContact O-N 3.37Å; I198-V214 HydrophobicContact CD1-CG1 4.15Å; I198-V214 HydrophobicContact CG1-CG1 4.23Å; I198-V214 HydrophobicContact CG2-CG1 4.31Å; I198-V214 HydrophobicContact CG2-CG2 4.38Å; I198-A224 HydrophobicContact CD1-CB 3.37Å; I198-L227 HydrophobicContact CB-CD1 3.93Å; I198-L227 HydrophobicContact CD1-CD1 4.15Å; I198-L227 HydrophobicContact CG2-CD1 3.95Å
199	T	98.9	Very high	98.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.6	-33.6	-173.1	48.9	0	0	0	0	113.9	L118 S147 L151 S195 K201 G203 L227	L118-T199 HydrophobicContact CD2-CG2 4.27Å; S147-T199 VanDerWaalsContact CA-OG1 3.27Å; S147-T199 WeakPolarHBondContact CA-OG1 3.31Å; S147-T199 WeakPolarHBondContact CB-OG1 3.36Å; S147-T199 WeakPolarHBondContact O-CB 3.39Å; S147-T199 PolarHBondContact O-OG1 3.37Å; S147-T199 VanDerWaalsContact O-OG1 3.14Å; S147-T199 WeakPolarHBondContact OG-CB 3.25Å; S147-T199 WeakPolarHBondContact OG-CG2 3.46Å; S147-T199 PolarHBondContact OG-OG1 3.11Å; L151-T199 HydrophobicContact CD1-CG2 3.93Å; L151-T199 HydrophobicContact CD2-CG2 4.1Å; L151-T199 HydrophobicContact CG-CG2 3.87Å; S195-T199 PolarHBondContact O-N 2.85Å; S195-T199 VanDerWaalsContact O-N 3.17Å; S195-T199 PolarHBondContact O-OG1 2.98Å; T199-K201 PolarHBondContact O-N 3.15Å; T199-G203 WeakPolarHBondContact O-CA 3.38Å; T199-G203 PolarHBondContact O-N 3.23Å; T199-L227 HydrophobicContact CG2-CD1 4.05Å; T199-L227 HydrophobicContact CG2-CD2 4.07Å
200	R	98.8	Very high	98.8	Very high	7 Å²	7	5.6 Å²	5.6	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-61.3	-31.2	173.3	75.3	178.2	64.7	179.8	-0.9	113.5	F150 F154 A196 M197 I198 E293 E500	F150-R200 HydrophobicContact CB-CB 4.4Å; F150-R200 HydrophobicContact CD1-CB 3.64Å; F150-R200 HydrophobicContact CD2-CB 3.62Å; F150-R200 HydrophobicContact CE1-CB 3.64Å; F150-R200 HydrophobicContact CE2-CB 3.62Å; F150-R200 HydrophobicContact CG-CB 3.62Å; F150-R200 HydrophobicContact CZ-CB 3.63Å; F154-R200 WeakPolarHBondContact CE2-O 2.97Å; A196-R200 WeakPolarHBondContact O-CB 3.36Å; A196-R200 VanDerWaalsContact O-CG 3.31Å; A196-R200 WeakPolarHBondContact O-CG 3.39Å; A196-R200 PolarHBondContact O-N 2.97Å; A196-R200 PolarHBondContact O-NE 3.2Å; M197-R200 WeakPolarHBondContact O-CG 3.45Å; M197-R200 PolarHBondContact SD-NH1 2.98Å; M197-R200 VanDerWaalsContact SD-NH1 3.37Å; I198-R200 PolarHBondContact O-N 2.95Å; R200-E293 IonicContact NH1-OE2 3.21Å; R200-E500 WeakPolarHBondContact CD-OE2 3.47Å; R200-E500 IonicContact NH1-OE2 3.62Å
201	K	98.9	Very high	98.8	Very high	1 Å²	1	4.6 Å²	4.6	0%	0.004	2%	0.02	C	C	.	.	H	α-helix	trans	-89	-51.5	-179.5	-66.9	174.1	-169.4	-65.5	0	111	I187 T189 M197 I198 T199 A204 A205 S268 T270 E500 Y509	I187-K201 HydrophobicContact CD1-CB 4.11Å; I187-K201 HydrophobicContact CG2-CB 3.88Å; I187-K201 HydrophobicContact CG2-CD 3.6Å; I187-K201 HydrophobicContact CG2-CG 4.37Å; T189-K201 HydrophobicContact CG2-CD 4.06Å; M197-K201 WeakPolarHBondContact O-CD 3.32Å; M197-K201 WeakPolarHBondContact O-CG 3.49Å; I198-K201 PolarHBondContact O-N 3.1Å; T199-K201 PolarHBondContact O-N 3.15Å; K201-A204 PolarHBondContact O-N 2.72Å; K201-A205 WeakPolarHBondContact O-CB 3.48Å; K201-A205 PolarHBondContact O-N 2.87Å; K201-S268 VanDerWaalsContact CD-OG 3.32Å; K201-S268 WeakPolarHBondContact CD-OG 3.38Å; K201-S268 WeakPolarHBondContact CG-OG 3.33Å; K201-S268 PolarHBondContact NZ-OG 3Å; K201-S268 VanDerWaalsContact NZ-OG 3.09Å; K201-T270 WeakPolarHBondContact CE-OG1 3.07Å; K201-T270 PolarHBondContact NZ-OG1 2.91Å; K201-E500 WeakPolarHBondContact CE-OE1 3.43Å; K201-E500 WeakPolarHBondContact CG-OE1 3.47Å; K201-E500 IonicContact NZ-OE1 2.64Å; K201-E500 PolarHBondContact NZ-OE1 3.04Å; K201-E500 IonicContact NZ-OE2 3.21Å; K201-Y509 PolarHBondContact O-OH 2.93Å
202	V	98.9	Very high	98.8	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-67	-39.6	-176.7	175	0	0	0	0	111.1	W114 I187 I198 A204 A205 L206 V212 V214 V241	W114-V202 HydrophobicContact CH2-CG1 3.8Å; W114-V202 HydrophobicContact CZ3-CG1 3.85Å; I187-V202 HydrophobicContact CG1-CG2 4.35Å; I187-V202 HydrophobicContact CG2-CG2 4.38Å; I198-V202 HydrophobicContact CG2-CB 4.45Å; I198-V202 HydrophobicContact CG2-CG2 3.7Å; I198-V202 WeakPolarHBondContact O-CB 3.48Å; I198-V202 WeakPolarHBondContact O-CG2 3.47Å; I198-V202 PolarHBondContact O-N 3.37Å; V202-A204 PolarHBondContact O-N 3.18Å; V202-A205 PolarHBondContact O-N 3.38Å; V202-L206 HydrophobicContact CG1-CD1 3.88Å; V202-L206 HydrophobicContact CG1-CD2 4.28Å; V202-L206 WeakPolarHBondContact O-CB 3.47Å; V202-L206 PolarHBondContact O-N 3.15Å; V202-V212 HydrophobicContact CG1-CG2 4.04Å; V202-V212 HydrophobicContact CG2-CG2 4.07Å; V202-V214 HydrophobicContact CG2-CG2 3.9Å; V202-V241 HydrophobicContact CG1-CG2 4.22Å
203	G	98.9	Very high	98.9	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-56.7	-51	176	0	0	0	0	0	111.8	F154 T199 A207	F154-G203 VanDerWaalsContact CB-C 3.43Å; F154-G203 WeakPolarHBondContact CB-O 3.36Å; T199-G203 WeakPolarHBondContact O-CA 3.38Å; T199-G203 PolarHBondContact O-N 3.23Å; G203-A207 WeakPolarHBondContact O-CB 3.3Å; G203-A207 PolarHBondContact O-N 3.01Å
204	A	98.9	Very high	98.9	Very high	1 Å²	1	1.3 Å²	1.3	1%	0.008	1%	0.007	C	C	.	.	H	α-helix	trans	-62.1	-45.7	177	0	0	0	0	0	112.5	F154 K201 V202 A207 A208 Y509	F154-A204 HydrophobicContact CD1-CB 3.9Å; F154-A204 HydrophobicContact CD2-CB 4Å; F154-A204 HydrophobicContact CE1-CB 3.7Å; F154-A204 HydrophobicContact CE2-CB 3.78Å; F154-A204 HydrophobicContact CG-CB 4.06Å; F154-A204 HydrophobicContact CZ-CB 3.64Å; K201-A204 PolarHBondContact O-N 2.72Å; V202-A204 PolarHBondContact O-N 3.18Å; A204-A207 PolarHBondContact O-N 3.16Å; A204-A208 WeakPolarHBondContact O-CB 3.46Å; A204-A208 PolarHBondContact O-N 3.49Å; A204-Y509 HydrophobicContact CB-CD2 3.69Å; A204-Y509 HydrophobicContact CB-CE2 3.55Å
205	A	98.9	Very high	98.9	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-59.4	-51.6	179.9	0	0	0	0	0	111.8	K201 V202 A207 A208 G209 C210 V212 Y509	K201-A205 WeakPolarHBondContact O-CB 3.48Å; K201-A205 PolarHBondContact O-N 2.87Å; V202-A205 PolarHBondContact O-N 3.38Å; A205-A207 PolarHBondContact O-N 2.84Å; A205-A208 PolarHBondContact O-N 3.02Å; A205-G209 PolarHBondContact O-N 3.4Å; A205-C210 HydrophobicContact CB-CB 4.13Å; A205-C210 WeakPolarHBondContact O-CA 3.45Å; A205-C210 VanDerWaalsContact O-CB 3.26Å; A205-C210 WeakPolarHBondContact O-CB 3.39Å; A205-C210 PolarHBondContact O-N 3.22Å; A205-V212 HydrophobicContact CB-CG1 3.58Å; A205-Y509 HydrophobicContact CB-CD1 3.64Å; A205-Y509 HydrophobicContact CB-CE1 3.65Å; A205-Y509 HydrophobicContact CB-CG 4.12Å
206	L	98.9	Very high	98.9	Very high	2 Å²	2	1.5 Å²	1.5	1%	0.01	1%	0.008	C	C	.	.	H	α-helix	trans	-66.7	-37.9	179.8	-91.7	58.9	0	0	0	111.8	W99 R107 L111 W114 V202 A208 G209 V212 V236 V240 V241	W99-L206 HydrophobicContact CZ2-CB 4.3Å; W99-L206 HydrophobicContact CZ2-CG 4.24Å; R107-L206 WeakPolarHBondContact CD-O 3.28Å; R107-L206 PolarHBondContact NE-O 3.36Å; L111-L206 HydrophobicContact CD1-CB 4.42Å; L111-L206 HydrophobicContact CD2-CB 4.07Å; L111-L206 HydrophobicContact CD2-CD2 4.22Å; W114-L206 HydrophobicContact CZ3-CD2 3.96Å; V202-L206 HydrophobicContact CG1-CD1 3.88Å; V202-L206 HydrophobicContact CG1-CD2 4.28Å; V202-L206 WeakPolarHBondContact O-CB 3.47Å; V202-L206 PolarHBondContact O-N 3.15Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 3.49Å; L206-G209 PolarHBondContact O-N 3.07Å; L206-V212 HydrophobicContact CD1-CG1 4Å; L206-V212 HydrophobicContact CD1-CG2 4.15Å; L206-V236 HydrophobicContact CD2-CG1 4.37Å; L206-V240 HydrophobicContact CD1-CG1 4.06Å; L206-V240 HydrophobicContact CD2-CG1 3.97Å; L206-V240 HydrophobicContact CG-CG1 3.73Å; L206-V241 HydrophobicContact CD1-CG2 4.22Å; L206-V241 HydrophobicContact CD2-CG2 3.81Å
207	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	-59.4	-43.9	176.1	0	0	0	0	0	111.7	R107 L111 F154 A158 G203 A204 A205 G209 I506	R107-A207 PolarHBondContact NE-O 3.26Å; R107-A207 VanDerWaalsContact NE-O 3.1Å; R107-A207 PolarHBondContact NH2-O 2.85Å; L111-A207 HydrophobicContact CD1-CB 3.82Å; F154-A207 HydrophobicContact CB-CB 3.95Å; F154-A207 WeakPolarHBondContact O-CB 3.35Å; A158-A207 HydrophobicContact CB-CB 3.82Å; G203-A207 WeakPolarHBondContact O-CB 3.3Å; G203-A207 PolarHBondContact O-N 3.01Å; A204-A207 PolarHBondContact O-N 3.16Å; A205-A207 PolarHBondContact O-N 2.84Å; A207-G209 PolarHBondContact O-N 3.18Å; A207-I506 HydrophobicContact CB-CD1 3.89Å
208	A	98.9	Very high	98.8	Very high	2 Å²	2	3.5 Å²	3.5	2%	0.017	2%	0.018	C	C	.	.	H	α-helix	trans	-65	-23.4	174.4	0	0	0	0	0	113.2	P181 A204 A205 L206 I506 L510	P181-A208 WeakPolarHBondContact CB-O 3.33Å; A204-A208 WeakPolarHBondContact O-CB 3.46Å; A204-A208 PolarHBondContact O-N 3.49Å; A205-A208 PolarHBondContact O-N 3.02Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 3.49Å; A208-I506 HydrophobicContact CB-CG1 4.03Å; A208-L510 HydrophobicContact CB-CD2 3.79Å; A208-L510 HydrophobicContact CB-CG 4.01Å
209	G	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	17.6	-175.9	0	0	0	0	0	114	F96 A205 L206 A207	F96-G209 WeakPolarHBondContact CE2-O 3.28Å; A205-G209 PolarHBondContact O-N 3.4Å; L206-G209 PolarHBondContact O-N 3.07Å; A207-G209 PolarHBondContact O-N 3.18Å
210	C	98.9	Very high	98.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.			trans	-82.4	162.7	171.1	-61.6	0	0	0	0	111.2	W99 V182 G183 A205 Y509	W99-C210 VanDerWaalsContact CD1-O 3.25Å; W99-C210 PolarHBondContact NE1-O 3.05Å; W99-C210 VanDerWaalsContact NE1-O 3.11Å; V182-C210 VanDerWaalsContact CG2-SG 3.52Å; G183-C210 WeakPolarHBondContact O-CA 3.43Å; G183-C210 WeakPolarHBondContact O-CB 3.29Å; G183-C210 PolarHBondContact O-SG 2.87Å; A205-C210 HydrophobicContact CB-CB 4.13Å; A205-C210 WeakPolarHBondContact O-CA 3.45Å; A205-C210 VanDerWaalsContact O-CB 3.26Å; A205-C210 WeakPolarHBondContact O-CB 3.39Å; A205-C210 PolarHBondContact O-N 3.22Å; C210-Y509 PolarHBondContact SG-O 3.43Å
211	T	99	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	159.9	166.6	58.1	0	0	0	0	109.6	A92 A95 F96 W99 G183 A185 V240	A92-T211 WeakPolarHBondContact O-CB 3.48Å; A92-T211 PolarHBondContact O-OG1 3.09Å; A95-T211 HydrophobicContact CB-CG2 4.22Å; F96-T211 HydrophobicContact CB-CG2 3.9Å; W99-T211 HydrophobicContact CB-CG2 4.22Å; W99-T211 HydrophobicContact CG-CG2 4.31Å; G183-T211 PolarHBondContact O-N 3.47Å; A185-T211 PolarHBondContact N-O 3.4Å; T211-V240 WeakPolarHBondContact CA-O 3.28Å; T211-V240 HydrophobicContact CG2-CB 4.29Å; T211-V240 HydrophobicContact CG2-CG1 4.31Å; T211-V240 HydrophobicContact CG2-CG2 4.14Å
212	V	98.9	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.8	-171.2	-58.6	0	0	0	0	114.1	A185 I187 V202 A205 L206 V214 V240 V241 N242	A185-V212 HydrophobicContact CB-CG1 4.4Å; A185-V212 VanDerWaalsContact O-CA 3.24Å; A185-V212 WeakPolarHBondContact O-CA 3.41Å; I187-V212 HydrophobicContact CD1-CG1 4.36Å; I187-V212 HydrophobicContact CG1-CB 3.92Å; I187-V212 HydrophobicContact CG1-CG1 3.93Å; V202-V212 HydrophobicContact CG1-CG2 4.04Å; V202-V212 HydrophobicContact CG2-CG2 4.07Å; A205-V212 HydrophobicContact CB-CG1 3.58Å; L206-V212 HydrophobicContact CD1-CG1 4Å; L206-V212 HydrophobicContact CD1-CG2 4.15Å; V212-V214 HydrophobicContact CG2-CG2 4.18Å; V212-V240 PolarHBondContact N-O 3.25Å; V212-V241 HydrophobicContact CG2-CB 4.25Å; V212-V241 HydrophobicContact CG2-CG1 4.24Å; V212-V241 HydrophobicContact CG2-CG2 4.01Å; V212-N242 PolarHBondContact O-N 3.32Å; V212-N242 PolarHBondContact O-ND2 3.3Å
213	V	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.9	163.3	-173.6	0	0	0	0	108.7	A88 V89 A92 V184 A185 I187 N242 V244 L258	A88-V213 HydrophobicContact CB-CG1 3.73Å; A88-V213 HydrophobicContact CB-CG2 4.23Å; V89-V213 HydrophobicContact CG2-CG2 4.18Å; A92-V213 HydrophobicContact CB-CG2 3.79Å; V184-V213 HydrophobicContact CG1-CG2 4.43Å; A185-V213 PolarHBondContact O-N 3.26Å; I187-V213 PolarHBondContact N-O 3.5Å; V213-N242 HydrophobicContact CG2-CB 4.4Å; V213-V244 HydrophobicContact CG1-CG2 3.65Å; V213-L258 HydrophobicContact CB-CD2 4.28Å; V213-L258 HydrophobicContact CG1-CD1 4.42Å; V213-L258 HydrophobicContact CG1-CD2 3.61Å
214	V	98.9	Very high	98.8	Very high	2 Å²	2	5 Å²	5	1%	0.012	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.2	-176.9	-175.9	0	0	0	0	110.1	I187 I198 V202 V212 N242 V243 V244	I187-V214 HydrophobicContact CB-CG2 4.07Å; I187-V214 HydrophobicContact CG2-CG2 4.36Å; I187-V214 CarbonylContact O-C 3.6Å; I187-V214 VanDerWaalsContact O-CA 3.24Å; I187-V214 WeakPolarHBondContact O-CA 3.26Å; I198-V214 HydrophobicContact CD1-CG1 4.15Å; I198-V214 HydrophobicContact CG1-CG1 4.23Å; I198-V214 HydrophobicContact CG2-CG1 4.31Å; I198-V214 HydrophobicContact CG2-CG2 4.38Å; V202-V214 HydrophobicContact CG2-CG2 3.9Å; V212-V214 HydrophobicContact CG2-CG2 4.18Å; V214-N242 WeakPolarHBondContact CB-O 3.5Å; V214-N242 PolarHBondContact N-O 3.03Å; V214-V243 HydrophobicContact CB-CG2 4.32Å; V214-V243 CarbonylContact O-C 3.41Å; V214-V243 WeakPolarHBondContact O-CA 3.44Å; V214-V244 PolarHBondContact O-N 3.28Å
215	K	98.8	Very high	98.8	Very high	7 Å²	7	4.9 Å²	4.9	3%	0.03	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	96.3	167.9	-171.3	-95.8	119.9	111.4	0	108.6	I187 I188 T189 C246 V254 L258	I187-K215 PolarHBondContact O-N 2.89Å; I188-K215 HydrophobicContact CG1-CB 4.26Å; I188-K215 HydrophobicContact CG2-CD 4.44Å; T189-K215 PolarHBondContact N-O 3.41Å; K215-C246 PolarHBondContact NZ-O 3.43Å; K215-C246 VanDerWaalsContact NZ-O 3.07Å; K215-C246 PolarHBondContact NZ-SG 3.15Å; K215-V254 HydrophobicContact CG-CG1 4.17Å; K215-L258 HydrophobicContact CB-CD1 3.81Å; K215-L258 HydrophobicContact CG-CD1 4.37Å
216	P	98.8	Very high	98.8	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.013	3%	0.027	C	C	.	.			trans	-74.3	160.6	-179.7	33.8	-36.6	0	0	0	111.3	P221 A224 V243	P216-P221 HydrophobicContact CG-CB 4.15Å; P216-A224 HydrophobicContact CB-CB 3.61Å; P216-A224 HydrophobicContact CG-CB 3.75Å; P216-V243 HydrophobicContact CG-CG1 4.1Å
217	A	98.4	Very high	98.8	Very high	8 Å²	8	5 Å²	5	7%	0.066	3%	0.027	C	C	.	.			trans	-57.9	145.9	172.3	0	0	0	0	0	111.5	T189 W191 D219 T220	T189-A217 PolarHBondContact O-N 3.25Å; T189-A217 VanDerWaalsContact O-N 3.11Å; W191-A217 HydrophobicContact CB-CB 3.77Å; A217-D219 PolarHBondContact O-N 3.44Å; A217-T220 CarbonylContact O-C 3.47Å; A217-T220 PolarHBondContact O-N 3.33Å
218	E	98.1	Very high	98.8	Very high	35 Å²	35	5 Å²	5	16%	0.164	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.2	179.6	66.4	-87.1	-158.1	0	0	113.3	F63 T220 P221 R248	F63-E218 HydrophobicContact CE2-CB 4.17Å; F63-E218 WeakPolarHBondContact CE2-O 3.33Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-P221 WeakPolarHBondContact O-CD 3.44Å; E218-R248 HydrophobicContact CG-CB 4.47Å; E218-R248 IonicContact OE1-CZ 2.74Å; E218-R248 VanDerWaalsContact OE1-CZ 3.29Å; E218-R248 IonicContact OE1-NE 2.64Å; E218-R248 PolarHBondContact OE1-NE 3.03Å; E218-R248 IonicContact OE1-NH2 3.34Å; E218-R248 PolarHBondContact OE1-NH2 3.49Å
219	D	98.4	Very high	98.8	Very high	36 Å²	36	5.4 Å²	5.4	19%	0.193	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-27.2	178.8	-54.6	-74.8	0	0	0	111.6	W191 A217 I371	W191-D219 HydrophobicContact CB-CB 4.08Å; A217-D219 PolarHBondContact O-N 3.44Å; D219-I371 HydrophobicContact CB-CD1 4.07Å; D219-I371 HydrophobicContact CB-CG1 4Å
220	T	98.7	Very high	98.8	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.012	3%	0.029	C	C	.	.	S	Bend	trans	-139.8	50.8	-172.1	58.2	0	0	0	0	115	E132 W191 P194 A217 E218 L222 I371	E132-T220 HydrophobicContact CB-CG2 4.14Å; E132-T220 VanDerWaalsContact CD-CA 3.47Å; E132-T220 HydrophobicContact CG-CG2 3.71Å; E132-T220 WeakPolarHBondContact O-CG2 3.16Å; E132-T220 WeakPolarHBondContact OE2-CA 3.42Å; W191-T220 WeakPolarHBondContact CA-OG1 2.93Å; W191-T220 HydrophobicContact CB-CG2 3.89Å; W191-T220 WeakPolarHBondContact CB-OG1 3.17Å; P194-T220 HydrophobicContact CB-CG2 4.35Å; P194-T220 WeakPolarHBondContact CB-OG1 3.43Å; A217-T220 CarbonylContact O-C 3.47Å; A217-T220 PolarHBondContact O-N 3.33Å; E218-T220 VanDerWaalsContact C-N 3.32Å; T220-L222 VanDerWaalsContact C-N 3.33Å; T220-L222 PolarHBondContact O-N 2.8Å; T220-I371 HydrophobicContact CG2-CD1 4.44Å
221	P	98.8	Very high	98.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-75.1	-21	-176.8	33.3	-38.1	0	0	0	113.1	F63 V65 V77 P216 E218 S223 A224 L225 P245	F63-P221 HydrophobicContact CE2-CG 4.05Å; F63-P221 HydrophobicContact CZ-CB 4.35Å; F63-P221 HydrophobicContact CZ-CG 4.02Å; V65-P221 HydrophobicContact CG2-CG 3.52Å; V77-P221 HydrophobicContact CB-CG 4.44Å; V77-P221 HydrophobicContact CG1-CB 4.44Å; V77-P221 HydrophobicContact CG1-CG 4.36Å; V77-P221 HydrophobicContact CG2-CG 4.03Å; P216-P221 HydrophobicContact CG-CB 4.15Å; E218-P221 WeakPolarHBondContact O-CD 3.44Å; P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 3.1Å; P221-A224 WeakPolarHBondContact O-CB 3.23Å; P221-A224 PolarHBondContact O-N 2.81Å; P221-L225 WeakPolarHBondContact O-CG 3.44Å; P221-L225 PolarHBondContact O-N 3.1Å; P221-P245 HydrophobicContact CB-CB 4.13Å
222	L	98.8	Very high	98.8	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-66.9	-36.3	-169.5	-53.8	175.8	0	0	0	110.5	L46 V65 L74 T75 V77 L128 E132 T220 A224 L225 A226	L46-L222 HydrophobicContact CD1-CD1 4.04Å; L46-L222 HydrophobicContact CD1-CD2 4.31Å; V65-L222 HydrophobicContact CG1-CD1 4.1Å; V65-L222 HydrophobicContact CG1-CG 4.34Å; V65-L222 HydrophobicContact CG2-CD2 4.45Å; V65-L222 HydrophobicContact CG2-CG 4.46Å; L74-L222 HydrophobicContact CD1-CD1 4.48Å; T75-L222 HydrophobicContact CG2-CD1 4.15Å; T75-L222 HydrophobicContact CG2-CD2 3.71Å; V77-L222 HydrophobicContact CG2-CD2 3.57Å; L128-L222 HydrophobicContact CD1-CB 4.1Å; L128-L222 HydrophobicContact CD2-CB 3.67Å; L128-L222 HydrophobicContact CG-CB 4.03Å; E132-L222 WeakPolarHBondContact OE2-CA 3.27Å; E132-L222 WeakPolarHBondContact OE2-CB 3.37Å; E132-L222 PolarHBondContact OE2-N 3.17Å; T220-L222 VanDerWaalsContact C-N 3.33Å; T220-L222 PolarHBondContact O-N 2.8Å; L222-A224 VanDerWaalsContact C-N 3.3Å; L222-A224 PolarHBondContact O-N 3.19Å; L222-L225 PolarHBondContact O-N 2.87Å; L222-A226 PolarHBondContact O-N 2.99Å
223	S	98.9	Very high	98.8	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.028	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-40.2	177.4	-74.1	0	0	0	0	111.7	L128 I129 E132 P221 L225 A226 L227	L128-S223 VanDerWaalsContact CD2-N 3.28Å; L128-S223 VanDerWaalsContact CD2-OG 3.32Å; L128-S223 WeakPolarHBondContact CD2-OG 3.27Å; I129-S223 VanDerWaalsContact CG1-OG 3.23Å; I129-S223 WeakPolarHBondContact CG1-OG 3.13Å; E132-S223 WeakPolarHBondContact OE1-CB 3.22Å; E132-S223 PolarHBondContact OE1-N 3.41Å; E132-S223 PolarHBondContact OE1-OG 3.38Å; P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 3.1Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.03Å; S223-A226 PolarHBondContact O-N 2.84Å; S223-L227 VanDerWaalsContact O-CG 3.31Å; S223-L227 WeakPolarHBondContact O-CG 3.16Å; S223-L227 PolarHBondContact O-N 2.82Å
224	A	98.9	Very high	98.7	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-64.4	-39.5	178.5	0	0	0	0	0	111.8	I198 P216 P221 L222 L227 A228 V243	I198-A224 HydrophobicContact CD1-CB 3.37Å; P216-A224 HydrophobicContact CB-CB 3.61Å; P216-A224 HydrophobicContact CG-CB 3.75Å; P221-A224 WeakPolarHBondContact O-CB 3.23Å; P221-A224 PolarHBondContact O-N 2.81Å; L222-A224 VanDerWaalsContact C-N 3.3Å; L222-A224 PolarHBondContact O-N 3.19Å; A224-L227 WeakPolarHBondContact O-CB 3.41Å; A224-L227 PolarHBondContact O-N 3.12Å; A224-A228 PolarHBondContact O-N 2.91Å; A224-V243 HydrophobicContact CB-CG1 3.96Å
225	L	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.1	-38.5	178.4	-56.7	174	0	0	0	111.2	R47 Q49 W56 V77 P221 L222 S223 L227 A228 E229 V243 P245	R47-L225 HydrophobicContact CB-CB 3.76Å; R47-L225 HydrophobicContact CB-CD1 4.5Å; R47-L225 WeakPolarHBondContact O-CD1 3.46Å; Q49-L225 WeakPolarHBondContact O-CD2 3.19Å; W56-L225 HydrophobicContact CH2-CB 4.46Å; W56-L225 WeakPolarHBondContact CH2-O 3.29Å; W56-L225 HydrophobicContact CZ3-CB 4.23Å; W56-L225 HydrophobicContact CZ3-CD2 4.15Å; V77-L225 HydrophobicContact CG1-CD1 4.07Å; P221-L225 WeakPolarHBondContact O-CG 3.44Å; P221-L225 PolarHBondContact O-N 3.1Å; L222-L225 PolarHBondContact O-N 2.87Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.03Å; L225-L227 VanDerWaalsContact C-N 3.3Å; L225-L227 PolarHBondContact O-N 3.21Å; L225-A228 WeakPolarHBondContact O-CB 3.3Å; L225-A228 PolarHBondContact O-N 2.74Å; L225-A228 VanDerWaalsContact O-N 3.15Å; L225-E229 PolarHBondContact O-N 3.01Å; L225-V243 HydrophobicContact CD2-CB 3.98Å; L225-V243 HydrophobicContact CD2-CG1 3.67Å; L225-P245 HydrophobicContact CD2-CG 4.32Å
226	A	98.9	Very high	98.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-39.8	171.6	0	0	0	0	0	111.8	L45 L125 L128 L222 S223 A228 E229 L230	L45-A226 HydrophobicContact CB-CB 4.47Å; L45-A226 WeakPolarHBondContact O-CB 3.34Å; L125-A226 HydrophobicContact CD2-CB 3.75Å; L128-A226 HydrophobicContact CD1-CB 4.26Å; L222-A226 PolarHBondContact O-N 2.99Å; S223-A226 PolarHBondContact O-N 2.84Å; A226-A228 VanDerWaalsContact C-N 3.34Å; A226-A228 PolarHBondContact O-N 2.77Å; A226-E229 PolarHBondContact O-N 3.02Å; A226-L230 WeakPolarHBondContact O-CG 3.26Å; A226-L230 PolarHBondContact O-N 2.89Å; A226-L230 VanDerWaalsContact O-N 3.09Å
227	L	98.9	Very high	98.7	Very high	3 Å²	3	18 Å²	18	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-40.3	173.4	-73.8	176.6	0	0	0	112	W114 L118 I198 T199 S223 A224 L225 L230 A231	W114-L227 HydrophobicContact CZ2-CB 4.18Å; W114-L227 VanDerWaalsContact CZ2-O 3.26Å; W114-L227 WeakPolarHBondContact CZ2-O 3.03Å; W114-L227 PolarHBondContact NE1-O 2.9Å; L118-L227 HydrophobicContact CD1-CD2 3.82Å; L118-L227 HydrophobicContact CD2-CD2 3.77Å; L118-L227 HydrophobicContact CG-CD2 3.97Å; I198-L227 HydrophobicContact CB-CD1 3.93Å; I198-L227 HydrophobicContact CD1-CD1 4.15Å; I198-L227 HydrophobicContact CG2-CD1 3.95Å; T199-L227 HydrophobicContact CG2-CD1 4.05Å; T199-L227 HydrophobicContact CG2-CD2 4.07Å; S223-L227 VanDerWaalsContact O-CG 3.31Å; S223-L227 WeakPolarHBondContact O-CG 3.16Å; S223-L227 PolarHBondContact O-N 2.82Å; A224-L227 WeakPolarHBondContact O-CB 3.41Å; A224-L227 PolarHBondContact O-N 3.12Å; L225-L227 VanDerWaalsContact C-N 3.3Å; L225-L227 PolarHBondContact O-N 3.21Å; L227-L230 PolarHBondContact O-N 2.93Å; L227-A231 PolarHBondContact O-N 3.36Å
228	A	98.9	Very high	98.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-40.3	176.8	0	0	0	0	0	112.9	Y51 W56 A224 L225 A226 L230 A231 Q232 V243	Y51-A228 HydrophobicContact CD1-CB 3.76Å; Y51-A228 HydrophobicContact CE1-CB 4.31Å; Y51-A228 HydrophobicContact CG-CB 3.89Å; W56-A228 HydrophobicContact CH2-CB 4.12Å; A224-A228 PolarHBondContact O-N 2.91Å; L225-A228 WeakPolarHBondContact O-CB 3.3Å; L225-A228 PolarHBondContact O-N 2.74Å; L225-A228 VanDerWaalsContact O-N 3.15Å; A226-A228 VanDerWaalsContact C-N 3.34Å; A226-A228 PolarHBondContact O-N 2.77Å; A228-L230 VanDerWaalsContact C-N 3.33Å; A228-L230 PolarHBondContact O-N 3.05Å; A228-A231 WeakPolarHBondContact O-CB 3.26Å; A228-A231 PolarHBondContact O-N 3.06Å; A228-Q232 PolarHBondContact O-N 2.89Å; A228-V243 HydrophobicContact CB-CG2 3.77Å
229	E	98.8	Very high	98.8	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-56.5	-48.6	171	173	67.2	-155.3	0	0	110.8	A44 L45 R47 W56 L225 A226 A231 Q232 Q233	A44-E229 VanDerWaalsContact O-CG 3.26Å; A44-E229 WeakPolarHBondContact O-CG 3.41Å; L45-E229 HydrophobicContact CD2-CG 4.24Å; R47-E229 IonicContact CZ-OE2 3.07Å; R47-E229 VanDerWaalsContact CZ-OE2 3.3Å; R47-E229 IonicContact NE-OE2 2.87Å; R47-E229 PolarHBondContact NE-OE2 3.22Å; R47-E229 VanDerWaalsContact NE-OE2 3.07Å; R47-E229 IonicContact NH2-OE1 3.83Å; R47-E229 IonicContact NH2-OE2 3.3Å; R47-E229 PolarHBondContact NH2-OE2 3.4Å; W56-E229 HydrophobicContact CH2-CB 4.41Å; W56-E229 HydrophobicContact CZ2-CB 4.01Å; L225-E229 PolarHBondContact O-N 3.01Å; A226-E229 PolarHBondContact O-N 3.02Å; E229-A231 VanDerWaalsContact C-N 3.32Å; E229-A231 PolarHBondContact O-N 3.04Å; E229-Q232 WeakPolarHBondContact O-CB 3.27Å; E229-Q232 PolarHBondContact O-N 3.43Å; E229-Q233 WeakPolarHBondContact O-CG 3.44Å; E229-Q233 PolarHBondContact O-N 2.88Å; E229-Q233 PolarHBondContact OE1-NE2 2.92Å
230	L	98.9	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.6	-31	-179.8	-64.9	-176.1	0	0	0	112.7	L45 L117 L118 L125 A226 L227 A228 Q232 Q233 A234	L45-L230 HydrophobicContact CD2-CD1 4.4Å; L45-L230 HydrophobicContact CD2-CD2 3.7Å; L45-L230 HydrophobicContact CD2-CG 3.94Å; L117-L230 HydrophobicContact CB-CB 4.48Å; L117-L230 HydrophobicContact CB-CD2 4.28Å; L117-L230 WeakPolarHBondContact CD1-O 3.05Å; L118-L230 HydrophobicContact CD1-CB 4.39Å; L118-L230 HydrophobicContact CD1-CD1 3.85Å; L118-L230 HydrophobicContact CG-CD1 4.35Å; L125-L230 HydrophobicContact CD1-CD1 3.89Å; L125-L230 HydrophobicContact CD2-CD1 4.32Å; A226-L230 WeakPolarHBondContact O-CG 3.26Å; A226-L230 PolarHBondContact O-N 2.89Å; A226-L230 VanDerWaalsContact O-N 3.09Å; L227-L230 PolarHBondContact O-N 2.93Å; A228-L230 VanDerWaalsContact C-N 3.33Å; A228-L230 PolarHBondContact O-N 3.05Å; L230-Q232 VanDerWaalsContact C-N 3.34Å; L230-Q233 PolarHBondContact O-N 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.41Å; L230-A234 PolarHBondContact O-N 3.23Å
231	A	98.9	Very high	98.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-44.4	171.4	0	0	0	0	0	111	W114 L227 A228 E229 A234 G235 V236	W114-A231 HydrophobicContact CD2-CB 4.01Å; W114-A231 HydrophobicContact CE3-CB 4.22Å; W114-A231 HydrophobicContact CH2-CB 3.8Å; W114-A231 HydrophobicContact CZ2-CB 3.57Å; W114-A231 HydrophobicContact CZ3-CB 4.11Å; L227-A231 PolarHBondContact O-N 3.36Å; A228-A231 WeakPolarHBondContact O-CB 3.26Å; A228-A231 PolarHBondContact O-N 3.06Å; E229-A231 VanDerWaalsContact C-N 3.32Å; E229-A231 PolarHBondContact O-N 3.04Å; A231-A234 WeakPolarHBondContact O-CB 3.19Å; A231-A234 PolarHBondContact O-N 2.85Å; A231-G235 PolarHBondContact O-N 3.45Å; A231-V236 HydrophobicContact CB-CB 4.2Å; A231-V236 HydrophobicContact CB-CG2 4.1Å; A231-V236 VanDerWaalsContact O-CB 3.27Å; A231-V236 WeakPolarHBondContact O-CB 3.48Å; A231-V236 WeakPolarHBondContact O-CG2 3.44Å; A231-V236 PolarHBondContact O-N 2.93Å
232	Q	98.6	Very high	98.8	Very high	79 Å²	79	18.8 Å²	18.8	37%	0.369	12%	0.115	S	C	.	.	H	α-helix	trans	-61.2	-46.5	176.2	-167.7	-175.2	-84.8	0	0	111.1	Y51 A228 E229 L230 A234 G235	Y51-Q232 PolarHBondContact OH-OE1 3.14Å; A228-Q232 PolarHBondContact O-N 2.89Å; E229-Q232 WeakPolarHBondContact O-CB 3.27Å; E229-Q232 PolarHBondContact O-N 3.43Å; L230-Q232 VanDerWaalsContact C-N 3.34Å; Q232-A234 VanDerWaalsContact C-N 3.3Å; Q232-A234 PolarHBondContact O-N 3.46Å; Q232-G235 PolarHBondContact O-N 3.49Å
233	Q	98.7	Very high	98.8	Very high	88 Å²	88	18.9 Å²	18.9	41%	0.411	12%	0.115	S	C	.	.	H	α-helix	trans	-63.9	-33.7	177.2	-68.3	-179.6	23.1	0	0	112.9	L117 E229 L230 G235	L117-Q233 HydrophobicContact CD1-CB 3.83Å; E229-Q233 WeakPolarHBondContact O-CG 3.44Å; E229-Q233 PolarHBondContact O-N 2.88Å; E229-Q233 PolarHBondContact OE1-NE2 2.92Å; L230-Q233 PolarHBondContact O-N 3.31Å; Q233-G235 PolarHBondContact O-N 3.05Å
234	A	98.8	Very high	98.8	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-66.8	-15.9	174.1	0	0	0	0	0	113.2	L110 K113 W114 L117 L230 A231 Q232	L110-A234 VanDerWaalsContact CD2-O 3.32Å; L110-A234 WeakPolarHBondContact CD2-O 3.37Å; K113-A234 HydrophobicContact CB-CB 4.16Å; W114-A234 HydrophobicContact CB-CB 3.74Å; W114-A234 HydrophobicContact CG-CB 4.32Å; L117-A234 HydrophobicContact CD1-CB 3.99Å; L230-A234 WeakPolarHBondContact O-CB 3.41Å; L230-A234 PolarHBondContact O-N 3.23Å; A231-A234 WeakPolarHBondContact O-CB 3.19Å; A231-A234 PolarHBondContact O-N 2.85Å; Q232-A234 VanDerWaalsContact C-N 3.3Å; Q232-A234 PolarHBondContact O-N 3.46Å
235	G	98.8	Very high	98.8	Very high	43 Å²	43	18.6 Å²	18.6	44%	0.443	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	20.4	-177.2	0	0	0	0	0	113.7	A231 Q232 Q233 P237	A231-G235 PolarHBondContact O-N 3.45Å; Q232-G235 PolarHBondContact O-N 3.49Å; Q233-G235 PolarHBondContact O-N 3.05Å; G235-P237 WeakPolarHBondContact O-CD 3.49Å
236	V	98.8	Very high	98.8	Very high	11 Å²	11	18.6 Å²	18.6	7%	0.067	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-61.8	125.3	172.5	176.3	0	0	0	0	108.6	W114 L206 A231 V240 V241	W114-V236 HydrophobicContact CE3-CG2 4.31Å; L206-V236 HydrophobicContact CD2-CG1 4.37Å; A231-V236 HydrophobicContact CB-CB 4.2Å; A231-V236 HydrophobicContact CB-CG2 4.1Å; A231-V236 VanDerWaalsContact O-CB 3.27Å; A231-V236 WeakPolarHBondContact O-CB 3.48Å; A231-V236 WeakPolarHBondContact O-CG2 3.44Å; A231-V236 PolarHBondContact O-N 2.93Å; V236-V240 HydrophobicContact CG1-CB 3.72Å; V236-V240 HydrophobicContact CG1-CG1 3.76Å; V236-V241 HydrophobicContact CG1-CG2 4.03Å
237	P	98.9	Very high	98.8	Very high	48 Å²	48	19.1 Å²	19.1	31%	0.312	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-60.8	150.6	-174.7	-25.4	33.7	0	0	0	113.6	W99 G235 G239 V240	W99-P237 HydrophobicContact CE3-CG 4.09Å; W99-P237 HydrophobicContact CZ3-CG 4.03Å; G235-P237 WeakPolarHBondContact O-CD 3.49Å; P237-G239 PolarHBondContact O-N 3.46Å; P237-V240 HydrophobicContact CB-CG2 3.91Å; P237-V240 HydrophobicContact CG-CG2 4.24Å; P237-V240 WeakPolarHBondContact O-CB 3.18Å; P237-V240 PolarHBondContact O-N 3Å; P237-V240 VanDerWaalsContact O-N 3.12Å
238	P	98.8	Very high	98.6	Very high	89 Å²	89	24.1 Å²	24.1	58%	0.578	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	133.8	174	-29.3	36.7	0	0	0	112.5	A95 V240	A95-P238 WeakPolarHBondContact CB-O 3.42Å; P238-V240 VanDerWaalsContact C-N 3.27Å; P238-V240 PolarHBondContact O-N 2.89Å
239	G	98.8	Very high	98.5	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-12.8	179.1	0	0	0	0	0	115.3	A92 A95 P237 V241 N242	A92-G239 VanDerWaalsContact CA-O 3.31Å; A92-G239 WeakPolarHBondContact CA-O 3.45Å; A95-G239 VanDerWaalsContact CB-C 3.48Å; P237-G239 PolarHBondContact O-N 3.46Å; G239-V241 VanDerWaalsContact C-N 3.33Å; G239-V241 PolarHBondContact O-N 3.12Å; G239-N242 PolarHBondContact O-ND2 3.49Å
240	V	98.9	Very high	98.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-36.9	176.3	173.9	0	0	0	0	111.5	A95 W99 L206 T211 V212 V236 P237 P238	A95-V240 HydrophobicContact CB-CG2 4.22Å; W99-V240 HydrophobicContact CB-CG2 4.04Å; W99-V240 HydrophobicContact CD2-CG1 4.07Å; W99-V240 HydrophobicContact CD2-CG2 3.89Å; W99-V240 HydrophobicContact CE3-CG2 4.1Å; W99-V240 HydrophobicContact CG-CG1 4.28Å; W99-V240 HydrophobicContact CG-CG2 3.88Å; W99-V240 HydrophobicContact CZ2-CG1 4.17Å; L206-V240 HydrophobicContact CD1-CG1 4.06Å; L206-V240 HydrophobicContact CD2-CG1 3.97Å; L206-V240 HydrophobicContact CG-CG1 3.73Å; T211-V240 WeakPolarHBondContact CA-O 3.28Å; T211-V240 HydrophobicContact CG2-CB 4.29Å; T211-V240 HydrophobicContact CG2-CG1 4.31Å; T211-V240 HydrophobicContact CG2-CG2 4.14Å; V212-V240 PolarHBondContact N-O 3.25Å; V236-V240 HydrophobicContact CG1-CB 3.72Å; V236-V240 HydrophobicContact CG1-CG1 3.76Å; P237-V240 HydrophobicContact CB-CG2 3.91Å; P237-V240 HydrophobicContact CG-CG2 4.24Å; P237-V240 WeakPolarHBondContact O-CB 3.18Å; P237-V240 PolarHBondContact O-N 3Å; P237-V240 VanDerWaalsContact O-N 3.12Å; P238-V240 VanDerWaalsContact C-N 3.27Å; P238-V240 PolarHBondContact O-N 2.89Å
241	V	98.9	Very high	98.3	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.2	171.5	177	0	0	0	0	108.4	Y51 W114 V202 L206 V212 V236 G239	Y51-V241 WeakPolarHBondContact CD1-O 3.49Å; Y51-V241 VanDerWaalsContact CE1-O 3.23Å; Y51-V241 WeakPolarHBondContact CE1-O 3.35Å; W114-V241 HydrophobicContact CH2-CG2 4.11Å; W114-V241 HydrophobicContact CZ3-CG2 4.16Å; V202-V241 HydrophobicContact CG1-CG2 4.22Å; L206-V241 HydrophobicContact CD1-CG2 4.22Å; L206-V241 HydrophobicContact CD2-CG2 3.81Å; V212-V241 HydrophobicContact CG2-CB 4.25Å; V212-V241 HydrophobicContact CG2-CG1 4.24Å; V212-V241 HydrophobicContact CG2-CG2 4.01Å; V236-V241 HydrophobicContact CG1-CG2 4.03Å; G239-V241 VanDerWaalsContact C-N 3.33Å; G239-V241 PolarHBondContact O-N 3.12Å
242	N	98.9	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.7	175.3	-50	-90	0	0	0	109.3	Y51 G53 A88 V212 V213 V214 G239	Y51-N242 CarbonylContact O-C 3.55Å; Y51-N242 WeakPolarHBondContact O-CA 3.43Å; Y51-N242 WeakPolarHBondContact O-CB 3.35Å; G53-N242 PolarHBondContact N-OD1 2.93Å; A88-N242 HydrophobicContact CB-CB 4.23Å; V212-N242 PolarHBondContact O-N 3.32Å; V212-N242 PolarHBondContact O-ND2 3.3Å; V213-N242 HydrophobicContact CG2-CB 4.4Å; V214-N242 WeakPolarHBondContact CB-O 3.5Å; V214-N242 PolarHBondContact N-O 3.03Å; G239-N242 PolarHBondContact O-ND2 3.49Å
243	V	98.9	Very high	98.1	Very high	3 Å²	3	40 Å²	40	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.3	179.3	-170	0	0	0	0	110.2	G50 Y51 V214 P216 A224 L225 A228 P245	G50-V243 WeakPolarHBondContact CA-O 3.47Å; Y51-V243 PolarHBondContact N-O 2.93Å; Y51-V243 PolarHBondContact O-N 2.83Å; V214-V243 HydrophobicContact CB-CG2 4.32Å; V214-V243 CarbonylContact O-C 3.41Å; V214-V243 WeakPolarHBondContact O-CA 3.44Å; P216-V243 HydrophobicContact CG-CG1 4.1Å; A224-V243 HydrophobicContact CB-CG1 3.96Å; L225-V243 HydrophobicContact CD2-CB 3.98Å; L225-V243 HydrophobicContact CD2-CG1 3.67Å; A228-V243 HydrophobicContact CB-CG2 3.77Å; V243-P245 VanDerWaalsContact O-CD 3.32Å; V243-P245 WeakPolarHBondContact O-CD 3.05Å
244	V	98.8	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.			trans	-118.2	80	-176	-173.1	0	0	0	0	108.6	L52 C80 A85 A88 V213 V214 V254	L52-V244 HydrophobicContact CD2-CG2 3.85Å; C80-V244 HydrophobicContact CB-CG1 3.38Å; A85-V244 HydrophobicContact CB-CG1 4.33Å; A88-V244 HydrophobicContact CB-CG2 3.57Å; V213-V244 HydrophobicContact CG1-CG2 3.65Å; V214-V244 PolarHBondContact O-N 3.28Å; V244-V254 HydrophobicContact CG1-CG1 4.12Å
245	P	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.			trans	-65.9	136.8	173.8	28.7	-32.8	0	0	0	109.9	F63 V77 S78 C80 P221 L225 V243	F63-P245 HydrophobicContact CE1-CB 4.28Å; F63-P245 HydrophobicContact CZ-CB 4.25Å; V77-P245 HydrophobicContact CG1-CB 3.66Å; V77-P245 HydrophobicContact CG1-CG 3.74Å; S78-P245 WeakPolarHBondContact O-CG 3.46Å; C80-P245 WeakPolarHBondContact CB-O 3.44Å; C80-P245 PolarHBondContact N-O 2.71Å; P221-P245 HydrophobicContact CB-CB 4.13Å; L225-P245 HydrophobicContact CD2-CG 4.32Å; V243-P245 VanDerWaalsContact O-CD 3.32Å; V243-P245 WeakPolarHBondContact O-CD 3.05Å
246	C	98.4	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.			trans	-153.7	146.3	174.3	59.7	0	0	0	0	111.1	D79 C80 K215 K250 V254	D79-C246 WeakPolarHBondContact OD1-CA 3.38Å; C80-C246 WeakPolarHBondContact O-CB 3.37Å; K215-C246 PolarHBondContact NZ-O 3.43Å; K215-C246 VanDerWaalsContact NZ-O 3.07Å; K215-C246 PolarHBondContact NZ-SG 3.15Å; C246-K250 HydrophobicContact CB-CB 4.18Å; C246-V254 HydrophobicContact CB-CG2 4.04Å
247	S	98.1	Very high	97.9	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	22%	0.216	C	C	.	.			trans	-64.8	167.5	179.2	70.3	0	0	0	0	111.9	D79 E249 K250 M251	D79-S247 VanDerWaalsContact CG-OG 3.29Å; D79-S247 WeakPolarHBondContact OD1-CB 3.16Å; D79-S247 PolarHBondContact OD1-N 2.81Å; D79-S247 PolarHBondContact OD1-OG 3.09Å; D79-S247 VanDerWaalsContact OD1-OG 3.12Å; D79-S247 WeakPolarHBondContact OD2-CB 3.49Å; D79-S247 PolarHBondContact OD2-OG 3.3Å; S247-E249 PolarHBondContact O-N 3.28Å; S247-E249 PolarHBondContact OG-N 3.49Å; S247-K250 PolarHBondContact O-N 2.76Å; S247-K250 PolarHBondContact OG-N 2.95Å; S247-M251 WeakPolarHBondContact O-CB 2.94Å; S247-M251 PolarHBondContact O-N 2.92Å
248	R	94.9	Very high	97.9	Very high	109 Å²	109	39.5 Å²	39.5	41%	0.411	20%	0.201	S	C	.	.	H	α-helix	trans	-56.8	-34.1	173.6	-169.9	167.9	-66.4	163	4.6	112.7	E218 M251	E218-R248 HydrophobicContact CG-CB 4.47Å; E218-R248 IonicContact OE1-CZ 2.74Å; E218-R248 VanDerWaalsContact OE1-CZ 3.29Å; E218-R248 IonicContact OE1-NE 2.64Å; E218-R248 PolarHBondContact OE1-NE 3.03Å; E218-R248 IonicContact OE1-NH2 3.34Å; E218-R248 PolarHBondContact OE1-NH2 3.49Å; R248-M251 WeakPolarHBondContact O-CB 3.47Å
249	E	97.4	Very high	97.8	Very high	177 Å²	177	35.3 Å²	35.3	83%	0.827	17%	0.173	S	C	*	.	H	α-helix	trans	-65.7	-42	179.7	-64.1	-175.6	170.4	0	0	111.8	S247	S247-E249 PolarHBondContact O-N 3.28Å; S247-E249 PolarHBondContact OG-N 3.49Å
250	K	97.6	Very high	97.8	Very high	52 Å²	52	37.9 Å²	37.9	23%	0.226	19%	0.191	C	C	.	.	H	α-helix	trans	-88.9	-14.3	-179.6	-62.5	-166.8	-168.4	173.7	0	114	S61 D79 C80 C246 S247 T252 A253 V254	S61-K250 PolarHBondContact OG-NZ 2.95Å; D79-K250 HydrophobicContact CB-CD 4.49Å; D79-K250 PolarHBondContact O-NZ 3.03Å; D79-K250 WeakPolarHBondContact OD1-CD 3.33Å; D79-K250 WeakPolarHBondContact OD2-CD 3.41Å; D79-K250 WeakPolarHBondContact OD2-CE 3.2Å; D79-K250 IonicContact OD2-NZ 2.85Å; C80-K250 WeakPolarHBondContact O-CD 3.46Å; C246-K250 HydrophobicContact CB-CB 4.18Å; S247-K250 PolarHBondContact O-N 2.76Å; S247-K250 PolarHBondContact OG-N 2.95Å; K250-T252 VanDerWaalsContact C-N 3.29Å; K250-T252 PolarHBondContact O-N 3.07Å; K250-T252 VanDerWaalsContact O-N 3.15Å; K250-A253 PolarHBondContact O-N 2.92Å; K250-V254 HydrophobicContact CB-CG2 4.36Å; K250-V254 PolarHBondContact O-N 2.81Å
251	M	95.4	Very high	97.8	Very high	68 Å²	68	38.4 Å²	38.4	34%	0.335	19%	0.194	S	C	.	.	H	α-helix	trans	-48.2	-46.4	-175	179.1	-83.6	-70	0	0	113.2	S247 R248 G255	S247-M251 WeakPolarHBondContact O-CB 2.94Å; S247-M251 PolarHBondContact O-N 2.92Å; R248-M251 WeakPolarHBondContact O-CB 3.47Å; M251-G255 PolarHBondContact O-N 3.38Å
252	T	96	Very high	97.7	Very high	86 Å²	86	43.6 Å²	43.6	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-66.7	-42.2	-178.4	-59.7	0	0	0	0	112.1	K250 R256	K250-T252 VanDerWaalsContact C-N 3.29Å; K250-T252 PolarHBondContact O-N 3.07Å; K250-T252 VanDerWaalsContact O-N 3.15Å; T252-R256 WeakPolarHBondContact O-CB 3.25Å; T252-R256 PolarHBondContact O-N 3.12Å
253	A	97.6	Very high	97.7	Very high	41 Å²	41	45.8 Å²	45.8	34%	0.339	24%	0.239	S	C	.	.	H	α-helix	trans	-71.1	-41.9	-178.3	0	0	0	0	0	111.6	P82 K250 R256 V257	P82-A253 HydrophobicContact CG-CB 3.82Å; K250-A253 PolarHBondContact O-N 2.92Å; A253-R256 PolarHBondContact O-N 3.14Å; A253-V257 PolarHBondContact O-N 2.85Å
254	V	98.3	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-48.5	173.8	170.5	0	0	0	0	110.8	C80 A85 K215 V244 C246 K250 R256 V257 L258	C80-V254 WeakPolarHBondContact O-CG2 3.32Å; A85-V254 HydrophobicContact CB-CG1 4.04Å; K215-V254 HydrophobicContact CG-CG1 4.17Å; V244-V254 HydrophobicContact CG1-CG1 4.12Å; C246-V254 HydrophobicContact CB-CG2 4.04Å; K250-V254 HydrophobicContact CB-CG2 4.36Å; K250-V254 PolarHBondContact O-N 2.81Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 2.95Å; V254-V257 PolarHBondContact O-N 3.03Å; V254-V257 VanDerWaalsContact O-N 3.12Å; V254-L258 HydrophobicContact CG1-CD1 3.81Å; V254-L258 HydrophobicContact CG1-CG 4.19Å; V254-L258 WeakPolarHBondContact O-CG 3.14Å; V254-L258 PolarHBondContact O-N 2.94Å
255	G	96.8	Very high	97.7	Very high	8 Å²	8	47.4 Å²	47.4	8%	0.082	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-38.5	178.4	0	0	0	0	0	112.5	M251 L258 C259	M251-G255 PolarHBondContact O-N 3.38Å; G255-L258 PolarHBondContact O-N 3.07Å; G255-C259 VanDerWaalsContact O-CB 3.26Å; G255-C259 WeakPolarHBondContact O-CB 3.42Å; G255-C259 PolarHBondContact O-N 3.25Å; G255-C259 PolarHBondContact O-SG 2.77Å
256	R	97.9	Very high	97.7	Very high	149 Å²	149	47.5 Å²	47.5	56%	0.562	25%	0.253	S	S	*	.	H	α-helix	trans	-57.9	-52.8	173.3	-176.6	-179	-66.5	-99.7	0.6	111.4	T252 A253 V254 L258 C259 S260	T252-R256 WeakPolarHBondContact O-CB 3.25Å; T252-R256 PolarHBondContact O-N 3.12Å; A253-R256 PolarHBondContact O-N 3.14Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 2.95Å; R256-L258 PolarHBondContact O-N 2.7Å; R256-C259 PolarHBondContact O-N 3.49Å; R256-S260 WeakPolarHBondContact O-CB 3.5Å; R256-S260 PolarHBondContact O-N 3.48Å; R256-S260 PolarHBondContact O-OG 2.84Å
257	V	98.4	Very high	97.8	Very high	29 Å²	29	47.5 Å²	47.5	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-53.5	178.3	174.8	0	0	0	0	110.5	P82 A85 K86 A253 V254 C259 S260 D261	P82-V257 HydrophobicContact CB-CG2 3.85Å; A85-V257 HydrophobicContact CB-CB 4.12Å; A85-V257 HydrophobicContact CB-CG1 3.95Å; K86-V257 HydrophobicContact CB-CG1 4.22Å; A253-V257 PolarHBondContact O-N 2.85Å; V254-V257 PolarHBondContact O-N 3.03Å; V254-V257 VanDerWaalsContact O-N 3.12Å; V257-C259 PolarHBondContact O-N 3.23Å; V257-S260 PolarHBondContact O-N 3.25Å; V257-D261 VanDerWaalsContact O-CB 3.26Å; V257-D261 WeakPolarHBondContact O-CB 3.36Å; V257-D261 PolarHBondContact O-N 3.12Å
258	L	98.1	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-30.2	-175.5	-61.5	-178.8	0	0	0	112.9	A85 V89 T186 V213 K215 V254 G255 R256	A85-L258 HydrophobicContact CB-CD2 3.96Å; A85-L258 HydrophobicContact CB-CG 4.25Å; V89-L258 HydrophobicContact CG2-CD2 3.72Å; T186-L258 HydrophobicContact CG2-CB 3.62Å; T186-L258 HydrophobicContact CG2-CD1 4.35Å; T186-L258 PolarHBondContact OG1-O 3.37Å; V213-L258 HydrophobicContact CB-CD2 4.28Å; V213-L258 HydrophobicContact CG1-CD1 4.42Å; V213-L258 HydrophobicContact CG1-CD2 3.61Å; K215-L258 HydrophobicContact CB-CD1 3.81Å; K215-L258 HydrophobicContact CG-CD1 4.37Å; V254-L258 HydrophobicContact CG1-CD1 3.81Å; V254-L258 HydrophobicContact CG1-CG 4.19Å; V254-L258 WeakPolarHBondContact O-CG 3.14Å; V254-L258 PolarHBondContact O-N 2.94Å; G255-L258 PolarHBondContact O-N 3.07Å; R256-L258 PolarHBondContact O-N 2.7Å
259	C	97.6	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-100.1	-12.5	-176.5	-65.7	0	0	0	0	114.8	G255 R256 V257 I267 L279 M282 K288	G255-C259 VanDerWaalsContact O-CB 3.26Å; G255-C259 WeakPolarHBondContact O-CB 3.42Å; G255-C259 PolarHBondContact O-N 3.25Å; G255-C259 PolarHBondContact O-SG 2.77Å; R256-C259 PolarHBondContact O-N 3.49Å; V257-C259 PolarHBondContact O-N 3.23Å; C259-I267 HydrophobicContact CB-CD1 3.64Å; C259-I267 HydrophobicContact CB-CG1 4.33Å; C259-L279 HydrophobicContact CB-CD2 4.44Å; C259-M282 HydrophobicContact CB-CB 4.37Å; C259-M282 HydrophobicContact CB-SD 4.36Å; C259-K288 WeakPolarHBondContact O-CD 3.44Å; C259-K288 WeakPolarHBondContact O-CE 3.37Å
260	S	97.7	Very high	98	Very high	56 Å²	56	34 Å²	34	39%	0.392	19%	0.194	S	C	.	.	H	α-helix	trans	-112.3	-14.4	178.6	74.6	0	0	0	0	114.4	R256 V257	R256-S260 WeakPolarHBondContact O-CB 3.5Å; R256-S260 PolarHBondContact O-N 3.48Å; R256-S260 PolarHBondContact O-OG 2.84Å; V257-S260 PolarHBondContact O-N 3.25Å
261	D	98.6	Very high	98	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.07	19%	0.193	C	C	.	.			trans	-59.8	134.6	-177.9	-165.8	-71	0	0	0	111.6	K86 V89 V257 L263 V264 K288	K86-D261 VanDerWaalsContact CD-OD2 3.27Å; K86-D261 WeakPolarHBondContact CD-OD2 3.31Å; K86-D261 WeakPolarHBondContact CE-OD2 3.06Å; K86-D261 IonicContact NZ-OD1 3.68Å; K86-D261 IonicContact NZ-OD2 3.08Å; K86-D261 PolarHBondContact NZ-OD2 2.92Å; V89-D261 HydrophobicContact CG1-CB 4.24Å; V257-D261 VanDerWaalsContact O-CB 3.26Å; V257-D261 WeakPolarHBondContact O-CB 3.36Å; V257-D261 PolarHBondContact O-N 3.12Å; D261-L263 PolarHBondContact O-N 2.83Å; D261-L263 WeakPolarHBondContact OD1-CB 3.37Å; D261-L263 WeakPolarHBondContact OD1-CG 3.48Å; D261-L263 PolarHBondContact OD1-N 3.22Å; D261-V264 HydrophobicContact CB-CG2 4.3Å; D261-V264 PolarHBondContact O-N 3.15Å; D261-K288 PolarHBondContact O-NZ 2.94Å
262	P	98.4	Very high	98	Very high	113 Å²	113	32.1 Å²	32.1	73%	0.734	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.4	-178.7	26.3	-36.5	0	0	0	114.2	V264	P262-V264 VanDerWaalsContact C-N 3.31Å
263	L	98.8	Very high	98.1	Very high	47 Å²	47	29.3 Å²	29.3	25%	0.246	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16	177.6	-58.6	-179.4	0	0	0	112.9	V89 E90 Y93 V184 D261	V89-L263 HydrophobicContact CG1-CB 3.79Å; V89-L263 HydrophobicContact CG1-CD1 4.35Å; E90-L263 HydrophobicContact CG-CD1 4.27Å; Y93-L263 HydrophobicContact CD1-CD1 4.3Å; Y93-L263 HydrophobicContact CD1-CD2 4.05Å; Y93-L263 HydrophobicContact CD2-CB 3.92Å; Y93-L263 HydrophobicContact CD2-CD2 3.87Å; Y93-L263 HydrophobicContact CD2-CG 4.35Å; Y93-L263 HydrophobicContact CE1-CD2 4.06Å; Y93-L263 HydrophobicContact CE2-CD2 3.87Å; Y93-L263 HydrophobicContact CG-CB 4.14Å; Y93-L263 HydrophobicContact CG-CD1 4.08Å; Y93-L263 HydrophobicContact CG-CD2 3.96Å; Y93-L263 HydrophobicContact CG-CG 4.28Å; V184-L263 WeakPolarHBondContact CB-O 3.32Å; D261-L263 PolarHBondContact O-N 2.83Å; D261-L263 WeakPolarHBondContact OD1-CB 3.37Å; D261-L263 WeakPolarHBondContact OD1-CG 3.48Å; D261-L263 PolarHBondContact OD1-N 3.22Å
264	V	98.8	Very high	98	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.7	176.6	178.5	0	0	0	0	109.9	V89 V184 T186 D261 P262 K266 K288	V89-V264 HydrophobicContact CG1-CG2 3.82Å; V89-V264 HydrophobicContact CG2-CG2 3.92Å; V184-V264 HydrophobicContact CG1-CG2 4.26Å; T186-V264 WeakPolarHBondContact OG1-CG1 3.35Å; D261-V264 HydrophobicContact CB-CG2 4.3Å; D261-V264 PolarHBondContact O-N 3.15Å; P262-V264 VanDerWaalsContact C-N 3.31Å; V264-K266 WeakPolarHBondContact CG1-O 3.43Å; V264-K288 HydrophobicContact CG1-CD 4.36Å; V264-K288 WeakPolarHBondContact O-CD 3.4Å; V264-K288 WeakPolarHBondContact O-CE 3.36Å; V264-K288 PolarHBondContact O-NZ 2.82Å
265	A	98.8	Very high	97.9	Very high	34 Å²	34	33.1 Å²	33.1	28%	0.281	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-21.9	-179.5	0	0	0	0	0	113.2	V182 V184 R289	V182-A265 VanDerWaalsContact O-CB 3.25Å; V182-A265 WeakPolarHBondContact O-CB 2.9Å; V184-A265 PolarHBondContact O-N 3.37Å; A265-R289 PolarHBondContact O-N 3.34Å
266	K	98.9	Very high	98	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.1	-172	177.8	73.7	177.5	65.6	0	111.5	V182 V184 A185 T186 V264 R289 S291 E508 Y509	V182-K266 HydrophobicContact CG2-CB 3.86Å; V182-K266 HydrophobicContact CG2-CG 4.38Å; V184-K266 PolarHBondContact O-N 3.22Å; A185-K266 CarbonylContact C-O 3.52Å; A185-K266 VanDerWaalsContact CA-O 3.31Å; A185-K266 WeakPolarHBondContact CA-O 3.31Å; A185-K266 HydrophobicContact CB-CB 3.84Å; A185-K266 HydrophobicContact CB-CG 3.98Å; T186-K266 PolarHBondContact N-O 2.97Å; V264-K266 WeakPolarHBondContact CG1-O 3.43Å; K266-R289 CarbonylContact C-O 3.57Å; K266-R289 WeakPolarHBondContact CA-O 3.33Å; K266-R289 HydrophobicContact CD-CB 3.47Å; K266-R289 VanDerWaalsContact CD-CB 3.47Å; K266-R289 WeakPolarHBondContact CD-O 3.19Å; K266-S291 VanDerWaalsContact NZ-CB 3.3Å; K266-S291 PolarHBondContact NZ-OG 3.05Å; K266-E508 WeakPolarHBondContact CE-O 3.39Å; K266-Y509 HydrophobicContact CG-CD1 4.1Å; K266-Y509 HydrophobicContact CG-CE1 4.06Å
267	I	98.9	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	167.2	-61.6	161.7	0	0	0	108.5	C259 A283 K288 R289 V290 S291	C259-I267 HydrophobicContact CB-CD1 3.64Å; C259-I267 HydrophobicContact CB-CG1 4.33Å; I267-A283 HydrophobicContact CD1-CB 3.79Å; I267-K288 HydrophobicContact CD1-CD 3.95Å; I267-K288 HydrophobicContact CG1-CD 4.25Å; I267-R289 PolarHBondContact N-O 3.11Å; I267-V290 HydrophobicContact CB-CG2 4.46Å; I267-V290 WeakPolarHBondContact O-CA 3.47Å; I267-S291 PolarHBondContact O-N 2.64Å
268	S	98.9	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.8	168.1	-172.7	0	0	0	0	109	T186 I187 I188 K201 S291 Y509	T186-S268 PolarHBondContact O-N 3.5Å; I187-S268 WeakPolarHBondContact CA-O 3.49Å; I188-S268 PolarHBondContact N-O 3.05Å; K201-S268 VanDerWaalsContact CD-OG 3.32Å; K201-S268 WeakPolarHBondContact CD-OG 3.38Å; K201-S268 WeakPolarHBondContact CG-OG 3.33Å; K201-S268 PolarHBondContact NZ-OG 3Å; K201-S268 VanDerWaalsContact NZ-OG 3.09Å; S268-S291 WeakPolarHBondContact CA-O 3.49Å; S268-S291 PolarHBondContact OG-OG 3.37Å; S268-Y509 PolarHBondContact OG-OH 3.33Å
269	F	98.8	Very high	98	Very high	9 Å²	9	33 Å²	33	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.9	-175.8	169.7	-109.6	0	0	0	111.1	I188 T275 L279 S291 M292 E293 L294	I188-F269 HydrophobicContact CB-CD2 3.79Å; I188-F269 HydrophobicContact CG2-CD2 3.61Å; I188-F269 HydrophobicContact CG2-CE2 3.88Å; I188-F269 WeakPolarHBondContact O-CA 3.27Å; F269-T275 HydrophobicContact CE1-CG2 4.21Å; F269-T275 HydrophobicContact CE2-CG2 3.88Å; F269-T275 HydrophobicContact CZ-CG2 3.52Å; F269-L279 HydrophobicContact CB-CD1 3.89Å; F269-L279 HydrophobicContact CD1-CD1 4.01Å; F269-L279 HydrophobicContact CD2-CD1 3.62Å; F269-L279 HydrophobicContact CE1-CD1 4.47Å; F269-L279 HydrophobicContact CE2-CD1 4.11Å; F269-L279 HydrophobicContact CG-CD1 3.55Å; F269-S291 PolarHBondContact N-O 3.25Å; F269-M292 HydrophobicContact CB-CE 4.27Å; F269-M292 HydrophobicContact CB-CG 4.23Å; F269-M292 HydrophobicContact CD1-CE 4.38Å; F269-M292 HydrophobicContact CD1-CG 4.38Å; F269-M292 HydrophobicContact CD1-SD 4.46Å; F269-M292 VanDerWaalsContact O-CA 3.27Å; F269-M292 WeakPolarHBondContact O-CA 3.14Å; F269-E293 PolarHBondContact O-N 2.79Å; F269-L294 HydrophobicContact CD1-CD2 3.61Å; F269-L294 HydrophobicContact CE1-CD2 3.5Å
270	T	98.7	Very high	98	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.9	162.6	-62.5	0	0	0	0	109.3	I188 P190 M197 K201 E293	I188-T270 PolarHBondContact O-N 2.74Å; P190-T270 VanDerWaalsContact CD-O 3.3Å; P190-T270 WeakPolarHBondContact CD-O 3.26Å; P190-T270 HydrophobicContact CG-CG2 3.82Å; M197-T270 HydrophobicContact SD-CG2 3.91Å; K201-T270 WeakPolarHBondContact CE-OG1 3.07Å; K201-T270 PolarHBondContact NZ-OG1 2.91Å; T270-E293 WeakPolarHBondContact CA-O 3.4Å; T270-E293 HydrophobicContact CG2-CB 4.11Å; T270-E293 WeakPolarHBondContact CG2-OE2 3.2Å
271	G	96.9	Very high	98	Very high	21 Å²	21	40.6 Å²	40.6	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	158.5	-150.6	178.2	0	0	0	0	0	113.4	E293 L294	G271-E293 PolarHBondContact N-O 2.94Å; G271-L294 CarbonylContact O-C 3.53Å; G271-L294 VanDerWaalsContact O-CA 3.26Å; G271-L294 WeakPolarHBondContact O-CA 3.5Å
272	S	96.1	Very high	97.9	Very high	59 Å²	59	41.5 Å²	41.5	41%	0.413	24%	0.244	S	C	.	.			trans	-69.6	147.1	-176	76.3	0	0	0	0	112.5	A274 T275 G276	S272-A274 PolarHBondContact O-N 3.3Å; S272-T275 PolarHBondContact O-N 3.13Å; S272-T275 PolarHBondContact OG-N 3.08Å; S272-T275 PolarHBondContact OG-OG1 3.03Å; S272-G276 PolarHBondContact O-N 2.66Å
273	T	96.7	Very high	97.9	Very high	27 Å²	27	36.3 Å²	36.3	17%	0.166	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-34.2	175.4	-51.5	0	0	0	0	112.3	G276 K277 L294 G295 Q494	T273-G276 PolarHBondContact O-N 3.34Å; T273-K277 WeakPolarHBondContact O-CG 3.43Å; T273-K277 PolarHBondContact O-N 3.11Å; T273-L294 HydrophobicContact CG2-CD1 4.31Å; T273-G295 PolarHBondContact OG1-N 2.97Å; T273-Q494 HydrophobicContact CG2-CB 4.22Å
274	A	96.2	Very high	97.9	Very high	71 Å²	71	37.2 Å²	37.2	59%	0.587	23%	0.225	S	C	*	.	H	α-helix	trans	-61.8	-49.3	176.9	0	0	0	0	0	111.7	S272 K277 V278	S272-A274 PolarHBondContact O-N 3.3Å; A274-K277 PolarHBondContact O-N 3.23Å; A274-V278 PolarHBondContact O-N 2.74Å
275	T	96.9	Very high	97.8	Very high	49 Å²	49	44 Å²	44	30%	0.301	26%	0.261	S	S	.	.	H	α-helix	trans	-66.1	-41.6	176.6	-59.7	0	0	0	0	111.2	F269 S272 K277 V278 L279	F269-T275 HydrophobicContact CE1-CG2 4.21Å; F269-T275 HydrophobicContact CE2-CG2 3.88Å; F269-T275 HydrophobicContact CZ-CG2 3.52Å; S272-T275 PolarHBondContact O-N 3.13Å; S272-T275 PolarHBondContact OG-N 3.08Å; S272-T275 PolarHBondContact OG-OG1 3.03Å; T275-K277 VanDerWaalsContact C-N 3.31Å; T275-K277 PolarHBondContact O-N 3.05Å; T275-V278 WeakPolarHBondContact O-CB 3.24Å; T275-V278 PolarHBondContact O-N 3.21Å; T275-L279 HydrophobicContact CG2-CD1 4.17Å; T275-L279 HydrophobicContact CG2-CG 4.26Å; T275-L279 WeakPolarHBondContact O-CG 3.21Å; T275-L279 PolarHBondContact O-N 2.83Å
276	G	97.9	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.8	-44.7	176.4	0	0	0	0	0	112.9	S272 T273 V278 L279 L280 M292	S272-G276 PolarHBondContact O-N 2.66Å; T273-G276 PolarHBondContact O-N 3.34Å; G276-V278 VanDerWaalsContact C-N 3.33Å; G276-V278 PolarHBondContact O-N 3.06Å; G276-L279 PolarHBondContact O-N 3.05Å; G276-L280 WeakPolarHBondContact O-CG 3.32Å; G276-L280 PolarHBondContact O-N 3.28Å; G276-M292 WeakPolarHBondContact O-CE 3.27Å
277	K	98.1	Very high	97.8	Very high	100 Å²	100	51.3 Å²	51.3	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-36.6	175.5	-73.5	176.4	179.7	176.7	0	113.1	T273 A274 T275 K281 Q494	T273-K277 WeakPolarHBondContact O-CG 3.43Å; T273-K277 PolarHBondContact O-N 3.11Å; A274-K277 PolarHBondContact O-N 3.23Å; T275-K277 VanDerWaalsContact C-N 3.31Å; T275-K277 PolarHBondContact O-N 3.05Å; K277-K281 WeakPolarHBondContact O-CG 3.37Å; K277-K281 PolarHBondContact O-N 3.3Å; K277-Q494 VanDerWaalsContact CE-OE1 3.25Å
278	V	98	Very high	97.8	Very high	72 Å²	72	52.3 Å²	52.3	44%	0.436	31%	0.308	S	S	.	.	H	α-helix	trans	-65.2	-46	175.1	172	0	0	0	0	110.4	A274 T275 G276 L280 K281 M282	A274-V278 PolarHBondContact O-N 2.74Å; T275-V278 WeakPolarHBondContact O-CB 3.24Å; T275-V278 PolarHBondContact O-N 3.21Å; G276-V278 VanDerWaalsContact C-N 3.33Å; G276-V278 PolarHBondContact O-N 3.06Å; V278-L280 PolarHBondContact O-N 3.43Å; V278-K281 WeakPolarHBondContact O-CB 3.48Å; V278-K281 PolarHBondContact O-N 3.24Å; V278-M282 HydrophobicContact CG1-CE 3.74Å; V278-M282 PolarHBondContact O-N 2.87Å; V278-M282 VanDerWaalsContact O-N 3.15Å
279	L	98.1	Very high	97.7	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-36.7	179.7	-62.4	-178.8	0	0	0	112.4	I188 C259 F269 T275 G276 K281 M282 A283 M292	I188-L279 HydrophobicContact CD1-CD1 4.02Å; I188-L279 HydrophobicContact CD1-CD2 4.48Å; C259-L279 HydrophobicContact CB-CD2 4.44Å; F269-L279 HydrophobicContact CB-CD1 3.89Å; F269-L279 HydrophobicContact CD1-CD1 4.01Å; F269-L279 HydrophobicContact CD2-CD1 3.62Å; F269-L279 HydrophobicContact CE1-CD1 4.47Å; F269-L279 HydrophobicContact CE2-CD1 4.11Å; F269-L279 HydrophobicContact CG-CD1 3.55Å; T275-L279 HydrophobicContact CG2-CD1 4.17Å; T275-L279 HydrophobicContact CG2-CG 4.26Å; T275-L279 WeakPolarHBondContact O-CG 3.21Å; T275-L279 PolarHBondContact O-N 2.83Å; G276-L279 PolarHBondContact O-N 3.05Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.23Å; L279-M282 HydrophobicContact CD2-SD 4.23Å; L279-M282 PolarHBondContact O-N 3.18Å; L279-A283 WeakPolarHBondContact O-CB 3.27Å; L279-A283 PolarHBondContact O-N 2.83Å; L279-M292 HydrophobicContact CB-CE 3.64Å
280	L	98.4	Very high	97.7	Very high	60 Å²	60	56.4 Å²	56.4	31%	0.314	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-41.4	173.3	-81.2	168.2	0	0	0	112.2	G276 V278 M282 A283 A284 V290 M292 L497	G276-L280 WeakPolarHBondContact O-CG 3.32Å; G276-L280 PolarHBondContact O-N 3.28Å; V278-L280 PolarHBondContact O-N 3.43Å; L280-M282 VanDerWaalsContact C-N 3.33Å; L280-M282 PolarHBondContact O-N 2.93Å; L280-A283 PolarHBondContact O-N 3.36Å; L280-A284 PolarHBondContact O-N 3.09Å; L280-A284 VanDerWaalsContact O-N 3.11Å; L280-V290 HydrophobicContact CD2-CB 4.06Å; L280-V290 HydrophobicContact CD2-CG1 3.66Å; L280-V290 HydrophobicContact CD2-CG2 4.17Å; L280-M292 HydrophobicContact CD1-SD 3.85Å; L280-M292 HydrophobicContact CD2-CE 4.24Å; L280-M292 HydrophobicContact CD2-SD 4.14Å; L280-M292 HydrophobicContact CG-CE 3.77Å; L280-M292 HydrophobicContact CG-SD 3.62Å; L280-L497 HydrophobicContact CD1-CD1 4.42Å; L280-L497 HydrophobicContact CD2-CD1 3.83Å
281	K	98.1	Very high	97.7	Very high	157 Å²	157	56.2 Å²	56.2	68%	0.683	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-41.6	175.6	-70.5	171.5	-177.5	-176.4	0	111.5	K277 V278 L279 A284	K277-K281 WeakPolarHBondContact O-CG 3.37Å; K277-K281 PolarHBondContact O-N 3.3Å; V278-K281 WeakPolarHBondContact O-CB 3.48Å; V278-K281 PolarHBondContact O-N 3.24Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.23Å; K281-A284 WeakPolarHBondContact O-CB 3.11Å; K281-A284 PolarHBondContact O-N 2.83Å
282	M	96.3	Very high	97.8	Very high	32 Å²	32	55.4 Å²	55.4	16%	0.158	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-39.4	175.4	-65.6	177.1	-179.5	0	0	112.4	C259 V278 L279 L280 A284	C259-M282 HydrophobicContact CB-CB 4.37Å; C259-M282 HydrophobicContact CB-SD 4.36Å; V278-M282 HydrophobicContact CG1-CE 3.74Å; V278-M282 PolarHBondContact O-N 2.87Å; V278-M282 VanDerWaalsContact O-N 3.15Å; L279-M282 HydrophobicContact CD2-SD 4.23Å; L279-M282 PolarHBondContact O-N 3.18Å; L280-M282 VanDerWaalsContact C-N 3.33Å; L280-M282 PolarHBondContact O-N 2.93Å; M282-A284 VanDerWaalsContact C-N 3.26Å; M282-A284 PolarHBondContact O-N 3.37Å
283	A	97.9	Very high	97.9	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-33.4	178.7	0	0	0	0	0	112.5	I267 L279 L280 D285 S286 V287 K288 V290	I267-A283 HydrophobicContact CD1-CB 3.79Å; L279-A283 WeakPolarHBondContact O-CB 3.27Å; L279-A283 PolarHBondContact O-N 2.83Å; L280-A283 PolarHBondContact O-N 3.36Å; A283-D285 VanDerWaalsContact C-N 3.3Å; A283-D285 PolarHBondContact O-N 3.43Å; A283-S286 PolarHBondContact O-N 2.69Å; A283-V287 PolarHBondContact O-N 2.82Å; A283-K288 HydrophobicContact CB-CB 4.24Å; A283-K288 PolarHBondContact O-N 2.64Å; A283-K288 VanDerWaalsContact O-N 3.08Å; A283-V290 HydrophobicContact CB-CG2 3.52Å
284	A	98.3	Very high	97.9	Very high	66 Å²	66	52 Å²	52	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-34.9	-176.6	0	0	0	0	0	113	L280 K281 M282 S286 V287	L280-A284 PolarHBondContact O-N 3.09Å; L280-A284 VanDerWaalsContact O-N 3.11Å; K281-A284 WeakPolarHBondContact O-CB 3.11Å; K281-A284 PolarHBondContact O-N 2.83Å; M282-A284 VanDerWaalsContact C-N 3.26Å; M282-A284 PolarHBondContact O-N 3.37Å; A284-S286 PolarHBondContact O-N 2.86Å; A284-S286 VanDerWaalsContact O-N 3.09Å; A284-V287 PolarHBondContact O-N 2.98Å
285	D	97.8	Very high	97.6	Very high	146 Å²	146	48.9 Å²	48.9	78%	0.781	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.2	-178.5	-68.8	-19.1	0	0	0	113.3	A283	A283-D285 VanDerWaalsContact C-N 3.3Å; A283-D285 PolarHBondContact O-N 3.43Å
286	S	97.8	Very high	97.1	Very high	54 Å²	54	46.7 Å²	46.7	38%	0.378	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	16.4	177.6	54.1	0	0	0	0	113.5	A283 A284 K288	A283-S286 PolarHBondContact O-N 2.69Å; A284-S286 PolarHBondContact O-N 2.86Å; A284-S286 VanDerWaalsContact O-N 3.09Å; S286-K288 PolarHBondContact O-N 3Å; S286-K288 WeakPolarHBondContact OG-CE 3.2Å; S286-K288 VanDerWaalsContact OG-CG 3.27Å; S286-K288 WeakPolarHBondContact OG-CG 3.49Å; S286-K288 PolarHBondContact OG-NZ 2.85Å
287	V	98.5	Very high	97	Very high	133 Å²	133	47.1 Å²	47.1	81%	0.806	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41	177	-158.6	0	0	0	0	112.4	A283 A284	A283-V287 PolarHBondContact O-N 2.82Å; A284-V287 PolarHBondContact O-N 2.98Å
288	K	98.6	Very high	96.9	Very high	21 Å²	21	42.3 Å²	42.3	9%	0.091	24%	0.235	C	C	.	.			trans	-66.5	147.8	-179.3	-55.7	-168.2	-173.9	-52.4	0	110.4	C259 D261 V264 I267 A283 S286	C259-K288 WeakPolarHBondContact O-CD 3.44Å; C259-K288 WeakPolarHBondContact O-CE 3.37Å; D261-K288 PolarHBondContact O-NZ 2.94Å; V264-K288 HydrophobicContact CG1-CD 4.36Å; V264-K288 WeakPolarHBondContact O-CD 3.4Å; V264-K288 WeakPolarHBondContact O-CE 3.36Å; V264-K288 PolarHBondContact O-NZ 2.82Å; I267-K288 HydrophobicContact CD1-CD 3.95Å; I267-K288 HydrophobicContact CG1-CD 4.25Å; A283-K288 HydrophobicContact CB-CB 4.24Å; A283-K288 PolarHBondContact O-N 2.64Å; A283-K288 VanDerWaalsContact O-N 3.08Å; S286-K288 PolarHBondContact O-N 3Å; S286-K288 WeakPolarHBondContact OG-CE 3.2Å; S286-K288 VanDerWaalsContact OG-CG 3.27Å; S286-K288 WeakPolarHBondContact OG-CG 3.49Å; S286-K288 PolarHBondContact OG-NZ 2.85Å
289	R	98.8	Very high	96.9	Very high	68 Å²	68	39 Å²	39	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.7	168.2	-65.6	-116.6	-67.2	-144.4	7.4	109	V182 A265 K266 I267 D507 E508 L510 E511	V182-R289 VanDerWaalsContact CG1-CZ 3.42Å; V182-R289 VanDerWaalsContact CG1-NH2 3.25Å; A265-R289 PolarHBondContact O-N 3.34Å; K266-R289 CarbonylContact C-O 3.57Å; K266-R289 WeakPolarHBondContact CA-O 3.33Å; K266-R289 HydrophobicContact CD-CB 3.47Å; K266-R289 VanDerWaalsContact CD-CB 3.47Å; K266-R289 WeakPolarHBondContact CD-O 3.19Å; I267-R289 PolarHBondContact N-O 3.11Å; R289-D507 PolarHBondContact NH2-O 3.37Å; R289-D507 VanDerWaalsContact NH2-O 3.13Å; R289-E508 PolarHBondContact NH2-O 3.37Å; R289-L510 VanDerWaalsContact CZ-O 3.23Å; R289-L510 PolarHBondContact NH1-O 3.13Å; R289-L510 VanDerWaalsContact NH2-N 3.16Å; R289-L510 PolarHBondContact NH2-O 2.73Å; R289-E511 WeakPolarHBondContact CD-OE1 3.36Å; R289-E511 IonicContact CZ-OE1 3.56Å; R289-E511 IonicContact NE-OE1 3.66Å; R289-E511 PolarHBondContact NE-OE1 3Å; R289-E511 IonicContact NH1-OE1 2.69Å; R289-E511 PolarHBondContact NH1-OE1 3.32Å; R289-E511 IonicContact NH1-OE2 3.93Å; R289-E511 PolarHBondContact NH1-OE2 3.03Å
290	V	98.8	Very high	97	Very high	27 Å²	27	38.5 Å²	38.5	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	-177.3	-179.3	0	0	0	0	110.7	I267 L280 A283 M292	I267-V290 HydrophobicContact CB-CG2 4.46Å; I267-V290 WeakPolarHBondContact O-CA 3.47Å; L280-V290 HydrophobicContact CD2-CB 4.06Å; L280-V290 HydrophobicContact CD2-CG1 3.66Å; L280-V290 HydrophobicContact CD2-CG2 4.17Å; A283-V290 HydrophobicContact CB-CG2 3.52Å; V290-M292 HydrophobicContact CG1-CE 3.57Å; V290-M292 HydrophobicContact CG1-CG 3.67Å; V290-M292 HydrophobicContact CG1-SD 3.94Å
291	S	98.8	Very high	97	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.4	163.6	66	0	0	0	0	108.1	K266 I267 S268 F269 L497 E508	K266-S291 VanDerWaalsContact NZ-CB 3.3Å; K266-S291 PolarHBondContact NZ-OG 3.05Å; I267-S291 PolarHBondContact O-N 2.64Å; S268-S291 WeakPolarHBondContact CA-O 3.49Å; S268-S291 PolarHBondContact OG-OG 3.37Å; F269-S291 PolarHBondContact N-O 3.25Å; S291-L497 CarbonylContact C-O 3.45Å; S291-L497 VanDerWaalsContact CA-O 3.28Å; S291-L497 WeakPolarHBondContact CA-O 3.39Å; S291-E508 WeakPolarHBondContact CB-OE2 3.2Å
292	M	98.3	Very high	97	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.1	-173.1	-73.7	-173.9	171.3	0	0	110.8	F269 G276 L279 L280 V290 L294 G496 L497	F269-M292 HydrophobicContact CB-CE 4.27Å; F269-M292 HydrophobicContact CB-CG 4.23Å; F269-M292 HydrophobicContact CD1-CE 4.38Å; F269-M292 HydrophobicContact CD1-CG 4.38Å; F269-M292 HydrophobicContact CD1-SD 4.46Å; F269-M292 VanDerWaalsContact O-CA 3.27Å; F269-M292 WeakPolarHBondContact O-CA 3.14Å; G276-M292 WeakPolarHBondContact O-CE 3.27Å; L279-M292 HydrophobicContact CB-CE 3.64Å; L280-M292 HydrophobicContact CD1-SD 3.85Å; L280-M292 HydrophobicContact CD2-CE 4.24Å; L280-M292 HydrophobicContact CD2-SD 4.14Å; L280-M292 HydrophobicContact CG-CE 3.77Å; L280-M292 HydrophobicContact CG-SD 3.62Å; V290-M292 HydrophobicContact CG1-CE 3.57Å; V290-M292 HydrophobicContact CG1-CG 3.67Å; V290-M292 HydrophobicContact CG1-SD 3.94Å; M292-L294 HydrophobicContact CB-CD1 4.33Å; M292-L294 HydrophobicContact CB-CD2 4.08Å; M292-L294 HydrophobicContact CB-CG 4.02Å; M292-L294 HydrophobicContact SD-CD1 4.37Å; M292-L294 HydrophobicContact SD-CD2 4.36Å; M292-G496 CarbonylContact O-C 3.59Å; M292-G496 WeakPolarHBondContact O-CA 3.34Å; M292-L497 PolarHBondContact N-O 3.11Å; M292-L497 PolarHBondContact O-N 2.86Å
293	E	98.1	Very high	97.2	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.9	164.8	-164.8	-112.8	135.3	0	0	107.5	R200 F269 T270 G271 C327 L451	R200-E293 IonicContact NH1-OE2 3.21Å; F269-E293 PolarHBondContact O-N 2.79Å; T270-E293 WeakPolarHBondContact CA-O 3.4Å; T270-E293 HydrophobicContact CG2-CB 4.11Å; T270-E293 WeakPolarHBondContact CG2-OE2 3.2Å; G271-E293 PolarHBondContact N-O 2.94Å; E293-C327 VanDerWaalsContact OE1-CB 3.23Å; E293-C327 WeakPolarHBondContact OE1-CB 3.28Å; E293-C327 PolarHBondContact OE1-SG 3.31Å; E293-L451 HydrophobicContact CG-CD1 3.89Å; E293-L451 WeakPolarHBondContact OE1-CD2 3.31Å
294	L	97.1	Very high	97.2	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	17%	0.173	C	C	.	.			trans	-114	-171.1	-168.5	-55.5	179.4	0	0	0	111	F269 G271 T273 M292 Q494 S495	F269-L294 HydrophobicContact CD1-CD2 3.61Å; F269-L294 HydrophobicContact CE1-CD2 3.5Å; G271-L294 CarbonylContact O-C 3.53Å; G271-L294 VanDerWaalsContact O-CA 3.26Å; G271-L294 WeakPolarHBondContact O-CA 3.5Å; T273-L294 HydrophobicContact CG2-CD1 4.31Å; M292-L294 HydrophobicContact CB-CD1 4.33Å; M292-L294 HydrophobicContact CB-CD2 4.08Å; M292-L294 HydrophobicContact CB-CG 4.02Å; M292-L294 HydrophobicContact SD-CD1 4.37Å; M292-L294 HydrophobicContact SD-CD2 4.36Å; L294-Q494 WeakPolarHBondContact CD1-O 3.46Å; L294-S495 PolarHBondContact N-O 2.87Å
295	G	88.8	Confident	97.2	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	16%	0.162	C	C	.	.			trans	-52.8	143	-177.8	0	0	0	0	0	113.1	T273 V449 S495	T273-G295 PolarHBondContact OG1-N 2.97Å; G295-V449 WeakPolarHBondContact O-CG1 3.37Å; G295-S495 PolarHBondContact O-OG 3.43Å
296	G	87.8	Confident	97.3	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.031	13%	0.129	C	C	.	.			trans	-107.4	169.7	172.6	0	0	0	0	0	111.2	E423	G296-E423 WeakPolarHBondContact O-CB 3.47Å; G296-E423 WeakPolarHBondContact O-CG 3.42Å
297	H	94.1	Very high	97.3	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.042	13%	0.129	C	C	.	.			trans	-150.3	57.9	163.2	-157	36.8	0	0	0	109.5	P299 N331 R332 C419 T420 E422 V449	H297-P299 WeakPolarHBondContact O-CD 3.44Å; H297-N331 VanDerWaalsContact ND1-CB 3.29Å; H297-N331 WeakPolarHBondContact ND1-CB 3.33Å; H297-R332 WeakPolarHBondContact CD2-CD 3.46Å; H297-R332 PolarHBondContact CD2-NE 3.09Å; H297-R332 VanDerWaalsContact CD2-NE 3.31Å; H297-R332 VanDerWaalsContact NE2-CD 3.35Å; H297-R332 WeakPolarHBondContact NE2-CD 3.07Å; H297-R332 PolarHBondContact O-NE 3.31Å; H297-R332 PolarHBondContact O-NH2 3.17Å; H297-C419 PolarHBondContact CE1-O 3.37Å; H297-C419 VanDerWaalsContact CE1-O 3.25Å; H297-C419 PolarHBondContact NE2-O 3.48Å; H297-T420 PolarHBondContact CD2-O 2.91Å; H297-T420 WeakPolarHBondContact NE2-CA 3.35Å; H297-T420 PolarHBondContact NE2-O 3.49Å; H297-E422 PolarHBondContact CE1-O 2.62Å; H297-V449 HydrophobicContact CB-CG2 3.55Å
298	A	97.1	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	122	-161.7	0	0	0	0	0	112.2	C329 N331 R332 A452 Y454	A298-C329 WeakPolarHBondContact CB-O 3.12Å; A298-N331 PolarHBondContact O-N 2.8Å; A298-R332 PolarHBondContact O-N 3.41Å; A298-A452 VanDerWaalsContact CA-O 3.25Å; A298-A452 WeakPolarHBondContact CA-O 3.47Å; A298-A452 HydrophobicContact CB-CB 4.32Å; A298-A452 WeakPolarHBondContact CB-O 3.34Å; A298-Y454 HydrophobicContact CB-CD2 4.33Å; A298-Y454 HydrophobicContact CB-CE2 4.05Å
299	P	98.4	Very high	97.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.013	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.3	169.1	31.6	-33.6	0	0	0	110.1	H297 I301 R332 L334 A444 Y454 L470	H297-P299 WeakPolarHBondContact O-CD 3.44Å; P299-I301 HydrophobicContact CB-CG1 4.39Å; P299-R332 CarbonylContact C-O 3.57Å; P299-R332 WeakPolarHBondContact CA-O 3.45Å; P299-L334 HydrophobicContact CB-CD1 4.35Å; P299-A444 HydrophobicContact CB-CB 3.8Å; P299-A444 HydrophobicContact CG-CB 3.88Å; P299-Y454 PolarHBondContact O-N 3.32Å; P299-L470 HydrophobicContact CG-CD2 4.25Å
300	F	98.8	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	103.8	170.9	-171.8	-76.7	0	0	0	108.3	V302 A311 A315 R332 F333 L334 F343 Y454 Y456	F300-V302 HydrophobicContact CD1-CG2 3.76Å; F300-V302 HydrophobicContact CE1-CG2 3.55Å; F300-A311 WeakPolarHBondContact CZ-O 3.39Å; F300-A315 HydrophobicContact CE1-CB 4.13Å; F300-A315 HydrophobicContact CZ-CB 4Å; F300-R332 PolarHBondContact N-O 3.43Å; F300-F333 HydrophobicContact CB-CD1 3.81Å; F300-F333 HydrophobicContact CB-CE1 3.87Å; F300-F333 HydrophobicContact CB-CG 4.31Å; F300-F333 HydrophobicContact CB-CZ 4.43Å; F300-F333 AromaticContact CD1-CD1 3.52Å; F300-F333 HydrophobicContact CD1-CD1 3.52Å; F300-F333 AromaticContact CD1-CE1 3.58Å; F300-F333 HydrophobicContact CD1-CE1 3.58Å; F300-F333 HydrophobicContact CD2-CE1 4.18Å; F300-F333 HydrophobicContact CE1-CD1 4.29Å; F300-F333 HydrophobicContact CE1-CE1 4.12Å; F300-F333 AromaticContact CG-CD1 3.81Å; F300-F333 HydrophobicContact CG-CD1 3.81Å; F300-F333 AromaticContact CG-CE1 3.61Å; F300-F333 HydrophobicContact CG-CE1 3.61Å; F300-F333 HydrophobicContact CG-CZ 4.44Å; F300-F333 CarbonylContact O-C 3.58Å; F300-F333 WeakPolarHBondContact O-CA 3.39Å; F300-L334 PolarHBondContact O-N 2.79Å; F300-F343 HydrophobicContact CE1-CZ 4.45Å; F300-Y454 CarbonylContact C-O 3.57Å; F300-Y454 WeakPolarHBondContact CA-O 3.32Å; F300-Y454 VanDerWaalsContact CD2-CB 3.47Å; F300-Y454 HydrophobicContact CD2-CD2 4.32Å; F300-Y454 AromaticContact CD2-CG 3.94Å; F300-Y454 HydrophobicContact CD2-CG 3.94Å; F300-Y454 HydrophobicContact CE2-CG 4.48Å; F300-Y456 AromaticContact CE1-CD2 3.9Å; F300-Y456 HydrophobicContact CE1-CD2 3.9Å; F300-Y456 HydrophobicContact CE1-CE2 4.03Å; F300-Y456 HydrophobicContact CE2-CD2 4.22Å; F300-Y456 AromaticContact CE2-CE2 3.61Å; F300-Y456 HydrophobicContact CE2-CE2 3.61Å; F300-Y456 AromaticContact CZ-CD2 3.55Å; F300-Y456 HydrophobicContact CZ-CD2 3.55Å; F300-Y456 AromaticContact CZ-CE2 3.19Å; F300-Y456 HydrophobicContact CZ-CE2 3.19Å
301	I	98.9	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.7	-169.9	-45.3	179.1	0	0	0	110.2	P299 F303 L334 F434 A440 A444 Y454 F455 Y456 L470	P299-I301 HydrophobicContact CB-CG1 4.39Å; I301-F303 HydrophobicContact CB-CE2 4.29Å; I301-F303 HydrophobicContact CG2-CD2 4.22Å; I301-F303 HydrophobicContact CG2-CE1 4.03Å; I301-F303 HydrophobicContact CG2-CE2 3.69Å; I301-F303 HydrophobicContact CG2-CZ 3.59Å; I301-L334 CarbonylContact C-O 3.58Å; I301-L334 VanDerWaalsContact CA-O 3.27Å; I301-L334 WeakPolarHBondContact CA-O 3.46Å; I301-L334 HydrophobicContact CB-CB 4.43Å; I301-L334 HydrophobicContact CD1-CD1 4.29Å; I301-L334 HydrophobicContact CG1-CB 4.21Å; I301-L334 HydrophobicContact CG1-CD1 3.96Å; I301-L334 HydrophobicContact CG2-CB 4.21Å; I301-F434 HydrophobicContact CG2-CE1 3.75Å; I301-F434 HydrophobicContact CG2-CZ 3.8Å; I301-A440 HydrophobicContact CD1-CB 4.43Å; I301-A440 HydrophobicContact CG2-CB 3.96Å; I301-A444 HydrophobicContact CD1-CB 4.09Å; I301-Y454 PolarHBondContact N-O 3.01Å; I301-F455 HydrophobicContact CB-CB 3.82Å; I301-F455 HydrophobicContact CG1-CB 4.49Å; I301-F455 CarbonylContact O-C 3.59Å; I301-F455 WeakPolarHBondContact O-CA 3.36Å; I301-Y456 PolarHBondContact O-N 2.79Å; I301-L470 HydrophobicContact CD1-CD2 4.1Å
302	V	98.9	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	107.6	177.4	-162.9	0	0	0	0	108.6	F300 A306 A311 L334 V335 Q336 I339 F343	F300-V302 HydrophobicContact CD1-CG2 3.76Å; F300-V302 HydrophobicContact CE1-CG2 3.55Å; V302-A306 HydrophobicContact CG1-CB 3.63Å; V302-A311 HydrophobicContact CG1-CB 3.61Å; V302-A311 HydrophobicContact CG2-CB 4.2Å; V302-L334 PolarHBondContact N-O 2.74Å; V302-V335 HydrophobicContact CB-CG1 4.3Å; V302-V335 HydrophobicContact CB-CG2 4.27Å; V302-V335 HydrophobicContact CG2-CG2 4.16Å; V302-Q336 PolarHBondContact O-N 3.33Å; V302-I339 HydrophobicContact CB-CD1 4.19Å; V302-I339 HydrophobicContact CG1-CD1 3.47Å; V302-I339 VanDerWaalsContact CG1-CD1 3.47Å; V302-F343 HydrophobicContact CG1-CD2 4.27Å; V302-F343 HydrophobicContact CG2-CD2 4.23Å; V302-F343 HydrophobicContact CG2-CE2 3.86Å; V302-F343 HydrophobicContact CG2-CZ 4.17Å
303	F	98.9	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.			trans	-83	160	177.4	-64.5	-76.7	0	0	0	111.4	I301 S305 A306 I339 F434 E437 A440 F455 Y456 Q462 V466	I301-F303 HydrophobicContact CB-CE2 4.29Å; I301-F303 HydrophobicContact CG2-CD2 4.22Å; I301-F303 HydrophobicContact CG2-CE1 4.03Å; I301-F303 HydrophobicContact CG2-CE2 3.69Å; I301-F303 HydrophobicContact CG2-CZ 3.59Å; F303-S305 PolarHBondContact O-N 2.86Å; F303-S305 VanDerWaalsContact O-N 3.14Å; F303-A306 WeakPolarHBondContact O-CB 3.15Å; F303-A306 PolarHBondContact O-N 2.81Å; F303-I339 WeakPolarHBondContact O-CD1 3.46Å; F303-F434 AromaticContact CD1-CE2 3.96Å; F303-F434 HydrophobicContact CD1-CE2 3.96Å; F303-F434 AromaticContact CD1-CZ 3.7Å; F303-F434 HydrophobicContact CD1-CZ 3.7Å; F303-F434 AromaticContact CE1-CE2 3.95Å; F303-F434 HydrophobicContact CE1-CE2 3.95Å; F303-F434 AromaticContact CE1-CZ 3.82Å; F303-F434 HydrophobicContact CE1-CZ 3.82Å; F303-F434 HydrophobicContact CG-CZ 4.48Å; F303-E437 HydrophobicContact CE1-CB 4.18Å; F303-E437 HydrophobicContact CE1-CG 4.12Å; F303-E437 HydrophobicContact CZ-CG 4.3Å; F303-A440 HydrophobicContact CE1-CB 4.43Å; F303-F455 HydrophobicContact CD2-CD2 4.36Å; F303-F455 HydrophobicContact CE2-CB 4.15Å; F303-F455 HydrophobicContact CE2-CD2 4.05Å; F303-F455 HydrophobicContact CE2-CG 4.39Å; F303-Y456 WeakPolarHBondContact CD2-O 3.49Å; F303-Y456 PolarHBondContact N-O 3.43Å; F303-Y456 VanDerWaalsContact N-O 3.16Å; F303-Q462 HydrophobicContact CD2-CG 4.46Å; F303-Q462 HydrophobicContact CE2-CG 4.43Å; F303-Q462 VanDerWaalsContact CG-OE1 3.29Å; F303-V466 HydrophobicContact CE2-CB 4.49Å; F303-V466 HydrophobicContact CE2-CG1 4.11Å; F303-V466 HydrophobicContact CE2-CG2 3.88Å; F303-V466 HydrophobicContact CZ-CG1 4.26Å; F303-V466 HydrophobicContact CZ-CG2 3.66Å
304	D	98.8	Very high	97.3	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.353	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.7	-179.4	-75.2	-25.3	0	0	0	113.4	A306 Q336 G338 I339	D304-A306 PolarHBondContact O-N 3.08Å; D304-Q336 WeakPolarHBondContact OD1-CB 3.48Å; D304-G338 WeakPolarHBondContact OD1-CA 3.36Å; D304-G338 PolarHBondContact OD1-N 3.14Å; D304-G338 VanDerWaalsContact OD1-N 3.11Å; D304-I339 HydrophobicContact CB-CG2 4.49Å; D304-I339 PolarHBondContact OD1-N 2.77Å; D304-I339 VanDerWaalsContact OD1-N 3.11Å
305	S	98.5	Very high	97.4	Very high	46 Å²	46	29 Å²	29	32%	0.322	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.3	176.2	71.2	0	0	0	0	113.4	F303 S457 Q458	F303-S305 PolarHBondContact O-N 2.86Å; F303-S305 VanDerWaalsContact O-N 3.14Å; S305-S457 PolarHBondContact OG-OG 3.18Å; S305-Q458 VanDerWaalsContact O-CB 3.31Å; S305-Q458 WeakPolarHBondContact O-CB 3.42Å; S305-Q458 WeakPolarHBondContact O-CG 3.24Å; S305-Q458 PolarHBondContact OG-N 3.36Å; S305-Q458 VanDerWaalsContact OG-N 3.13Å
306	A	98.7	Very high	97.8	Very high	11 Å²	11	29.3 Å²	29.3	9%	0.091	16%	0.157	C	C	.	.	S	Bend	trans	-62.2	145.6	-177.7	0	0	0	0	0	112.3	V302 F303 D304 V308 I339	V302-A306 HydrophobicContact CG1-CB 3.63Å; F303-A306 WeakPolarHBondContact O-CB 3.15Å; F303-A306 PolarHBondContact O-N 2.81Å; D304-A306 PolarHBondContact O-N 3.08Å; A306-V308 PolarHBondContact O-N 2.88Å; A306-V308 VanDerWaalsContact O-N 3.15Å; A306-I339 HydrophobicContact CB-CD1 4.43Å
307	N	98.6	Very high	98.3	Very high	69 Å²	69	30.8 Å²	30.8	37%	0.369	17%	0.169	S	C	.	.			trans	-71.2	107.6	158.1	-179.4	-48.7	0	0	0	108.3	E309 R310 A311	N307-E309 VanDerWaalsContact C-N 3.32Å; N307-E309 PolarHBondContact O-N 3.41Å; N307-E309 PolarHBondContact OD1-N 3.44Å; N307-E309 VanDerWaalsContact OD1-N 3.11Å; N307-R310 HydrophobicContact CB-CB 4.1Å; N307-R310 HydrophobicContact CB-CG 4.3Å; N307-R310 PolarHBondContact O-N 2.85Å; N307-R310 PolarHBondContact OD1-N 2.82Å; N307-A311 PolarHBondContact O-N 3.1Å
308	V	98.4	Very high	98.4	Very high	20 Å²	20	30.4 Å²	30.4	12%	0.121	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-40.5	-175.5	178	0	0	0	0	112.2	A306 R310 A311 V312 I339 F343	A306-V308 PolarHBondContact O-N 2.88Å; A306-V308 VanDerWaalsContact O-N 3.15Å; V308-R310 PolarHBondContact O-N 2.88Å; V308-A311 PolarHBondContact O-N 2.51Å; V308-V312 HydrophobicContact CG1-CG2 4.36Å; V308-V312 WeakPolarHBondContact O-CG2 3.23Å; V308-V312 PolarHBondContact O-N 2.85Å; V308-I339 HydrophobicContact CG2-CB 4.37Å; V308-I339 HydrophobicContact CG2-CD1 4.42Å; V308-I339 HydrophobicContact CG2-CG2 4.37Å; V308-F343 HydrophobicContact CG1-CB 4.44Å
309	E	98.3	Very high	98.5	Very high	164 Å²	164	30.4 Å²	30.4	77%	0.766	17%	0.167	S	C	*	.	H	α-helix	trans	-64.6	-42.2	179.7	-64.3	179.6	174.8	0	0	111.4	N307 V312 G313	N307-E309 VanDerWaalsContact C-N 3.32Å; N307-E309 PolarHBondContact O-N 3.41Å; N307-E309 PolarHBondContact OD1-N 3.44Å; N307-E309 VanDerWaalsContact OD1-N 3.11Å; E309-V312 PolarHBondContact O-N 3.41Å; E309-G313 PolarHBondContact O-N 2.72Å
310	R	98.5	Very high	98.5	Very high	157 Å²	157	30.5 Å²	30.5	59%	0.592	17%	0.167	S	C	*	.	H	α-helix	trans	-65.2	-39.9	173.9	-75.3	-168.5	148.1	-164.3	-7.7	112.3	N307 V308 V312 G313 G314 Y456	N307-R310 HydrophobicContact CB-CB 4.1Å; N307-R310 HydrophobicContact CB-CG 4.3Å; N307-R310 PolarHBondContact O-N 2.85Å; N307-R310 PolarHBondContact OD1-N 2.82Å; V308-R310 PolarHBondContact O-N 2.88Å; R310-V312 VanDerWaalsContact C-N 3.34Å; R310-G313 PolarHBondContact O-N 3.08Å; R310-G314 PolarHBondContact O-N 2.77Å; R310-Y456 VanDerWaalsContact C-CE1 3.46Å; R310-Y456 HydrophobicContact CB-CD1 4.36Å; R310-Y456 HydrophobicContact CB-CE1 4.08Å; R310-Y456 VanDerWaalsContact O-CE1 3.25Å; R310-Y456 WeakPolarHBondContact O-CE1 3.42Å
311	A	98.8	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-40.3	176.1	0	0	0	0	0	111.6	F300 V302 N307 V308 G314 A315 F343 Y456	F300-A311 WeakPolarHBondContact CZ-O 3.39Å; V302-A311 HydrophobicContact CG1-CB 3.61Å; V302-A311 HydrophobicContact CG2-CB 4.2Å; N307-A311 PolarHBondContact O-N 3.1Å; V308-A311 PolarHBondContact O-N 2.51Å; A311-G314 PolarHBondContact O-N 2.72Å; A311-A315 VanDerWaalsContact O-CB 3.32Å; A311-A315 WeakPolarHBondContact O-CB 3.43Å; A311-A315 PolarHBondContact O-N 2.96Å; A311-F343 HydrophobicContact CB-CD2 4.24Å; A311-F343 HydrophobicContact CB-CE2 3.95Å; A311-Y456 VanDerWaalsContact CA-CD1 3.49Å; A311-Y456 HydrophobicContact CB-CD1 3.8Å; A311-Y456 HydrophobicContact CB-CD2 4.26Å; A311-Y456 HydrophobicContact CB-CE1 4.39Å; A311-Y456 HydrophobicContact CB-CG 3.74Å
312	V	98.8	Very high	98.2	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.073	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-48.1	174.2	167.7	0	0	0	0	110.8	V308 E309 R310 G314 A315 M316 F343 L347 A350	V308-V312 HydrophobicContact CG1-CG2 4.36Å; V308-V312 WeakPolarHBondContact O-CG2 3.23Å; V308-V312 PolarHBondContact O-N 2.85Å; E309-V312 PolarHBondContact O-N 3.41Å; R310-V312 VanDerWaalsContact C-N 3.34Å; V312-G314 VanDerWaalsContact C-N 3.29Å; V312-G314 PolarHBondContact O-N 2.84Å; V312-A315 WeakPolarHBondContact O-CB 3.32Å; V312-A315 PolarHBondContact O-N 3.15Å; V312-A315 VanDerWaalsContact O-N 3.15Å; V312-M316 HydrophobicContact CG1-CG 4.41Å; V312-M316 VanDerWaalsContact O-CG 3.3Å; V312-M316 WeakPolarHBondContact O-CG 3.44Å; V312-M316 PolarHBondContact O-N 3.21Å; V312-F343 HydrophobicContact CG2-CD2 3.95Å; V312-F343 HydrophobicContact CG2-CE2 4.02Å; V312-L347 HydrophobicContact CG1-CD1 4.32Å; V312-L347 HydrophobicContact CG2-CB 4.33Å; V312-A350 HydrophobicContact CG1-CB 3.7Å
313	G	98.6	Very high	98.1	Very high	40 Å²	40	32.9 Å²	32.9	41%	0.412	18%	0.177	S	C	.	.	H	α-helix	trans	-59	-41.1	176.1	0	0	0	0	0	112.6	E309 R310 M316 A317	E309-G313 PolarHBondContact O-N 2.72Å; R310-G313 PolarHBondContact O-N 3.08Å; G313-M316 PolarHBondContact O-N 2.91Å; G313-A317 WeakPolarHBondContact O-CB 3.37Å; G313-A317 PolarHBondContact O-N 3.39Å
314	G	98.6	Very high	98	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-43.5	172.7	0	0	0	0	0	114	R310 A311 V312 M316 A317 S318 Y456	R310-G314 PolarHBondContact O-N 2.77Å; A311-G314 PolarHBondContact O-N 2.72Å; V312-G314 VanDerWaalsContact C-N 3.29Å; V312-G314 PolarHBondContact O-N 2.84Å; G314-M316 VanDerWaalsContact C-N 3.34Å; G314-A317 PolarHBondContact O-N 3.32Å; G314-S318 VanDerWaalsContact O-CB 3.26Å; G314-S318 WeakPolarHBondContact O-CB 3.11Å; G314-S318 PolarHBondContact O-N 2.66Å; G314-S318 PolarHBondContact O-OG 3.35Å; G314-Y456 WeakPolarHBondContact CA-OH 3.5Å
315	A	98.6	Very high	97.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-43.5	176	0	0	0	0	0	111	F300 A311 V312 S318 K319 F333 F343 L347	F300-A315 HydrophobicContact CE1-CB 4.13Å; F300-A315 HydrophobicContact CZ-CB 4Å; A311-A315 VanDerWaalsContact O-CB 3.32Å; A311-A315 WeakPolarHBondContact O-CB 3.43Å; A311-A315 PolarHBondContact O-N 2.96Å; V312-A315 WeakPolarHBondContact O-CB 3.32Å; V312-A315 PolarHBondContact O-N 3.15Å; V312-A315 VanDerWaalsContact O-N 3.15Å; A315-S318 PolarHBondContact O-OG 3.26Å; A315-K319 WeakPolarHBondContact O-CB 3.48Å; A315-K319 PolarHBondContact O-N 2.98Å; A315-F333 HydrophobicContact CB-CD1 4.49Å; A315-F333 HydrophobicContact CB-CE1 3.56Å; A315-F333 HydrophobicContact CB-CZ 4.23Å; A315-F343 HydrophobicContact CB-CE2 4.48Å; A315-F343 HydrophobicContact CB-CZ 3.97Å; A315-L347 HydrophobicContact CB-CD1 4.04Å; A315-L347 HydrophobicContact CB-CD2 4.47Å
316	M	98.6	Very high	97.7	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.059	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-50.9	176.8	-70.8	-66	-69.4	0	0	111.4	V312 G313 G314 F320 L347 A350 M351 E354 L355	V312-M316 HydrophobicContact CG1-CG 4.41Å; V312-M316 VanDerWaalsContact O-CG 3.3Å; V312-M316 WeakPolarHBondContact O-CG 3.44Å; V312-M316 PolarHBondContact O-N 3.21Å; G313-M316 PolarHBondContact O-N 2.91Å; G314-M316 VanDerWaalsContact C-N 3.34Å; M316-F320 HydrophobicContact CE-CD2 4.13Å; M316-F320 HydrophobicContact CE-CE2 4.49Å; M316-F320 PolarHBondContact O-N 2.77Å; M316-F320 HydrophobicContact SD-CD2 3.63Å; M316-F320 HydrophobicContact SD-CE2 3.58Å; M316-F320 VanDerWaalsContact SD-CE2 3.58Å; M316-L347 HydrophobicContact CG-CD1 3.97Å; M316-L347 HydrophobicContact SD-CD1 3.67Å; M316-A350 HydrophobicContact CE-CB 4.2Å; M316-A350 HydrophobicContact CG-CB 3.88Å; M316-A350 HydrophobicContact SD-CB 3.9Å; M316-M351 HydrophobicContact SD-CG 3.83Å; M316-E354 HydrophobicContact CE-CB 3.86Å; M316-E354 HydrophobicContact CE-CG 4.49Å; M316-L355 HydrophobicContact CE-CD1 4.34Å; M316-L355 HydrophobicContact CE-CD2 3.77Å; M316-L355 HydrophobicContact CE-CG 3.89Å
317	A	97.3	Very high	97.4	Very high	34 Å²	34	27.7 Å²	27.7	28%	0.281	15%	0.145	S	C	.	.	H	α-helix	trans	-67.9	-37.7	-178.1	0	0	0	0	0	113.4	G313 G314 R321 L481	G313-A317 WeakPolarHBondContact O-CB 3.37Å; G313-A317 PolarHBondContact O-N 3.39Å; G314-A317 PolarHBondContact O-N 3.32Å; A317-R321 VanDerWaalsContact O-CB 3.27Å; A317-R321 WeakPolarHBondContact O-CB 3.38Å; A317-L481 HydrophobicContact CB-CD1 4.23Å; A317-L481 HydrophobicContact CB-CD2 4.08Å; A317-L481 HydrophobicContact CB-CG 3.98Å
318	S	96.9	Very high	97.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-80.4	-34.6	-178.6	60.2	0	0	0	0	113	G314 A315 C329 S330 G480	G314-S318 VanDerWaalsContact O-CB 3.26Å; G314-S318 WeakPolarHBondContact O-CB 3.11Å; G314-S318 PolarHBondContact O-N 2.66Å; G314-S318 PolarHBondContact O-OG 3.35Å; A315-S318 PolarHBondContact O-OG 3.26Å; S318-C329 WeakPolarHBondContact O-CA 3.44Å; S318-C329 PolarHBondContact O-SG 3.06Å; S318-S330 PolarHBondContact OG-OG 2.9Å; S318-G480 WeakPolarHBondContact CB-O 3.36Å
319	K	98.1	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-86.8	-47.6	-177.8	-177.4	70.3	-144	-175	0	113.8	A315 G324 S330 F333 G426 L428 V429	A315-K319 WeakPolarHBondContact O-CB 3.48Å; A315-K319 PolarHBondContact O-N 2.98Å; K319-G324 WeakPolarHBondContact O-CA 3.22Å; K319-G324 PolarHBondContact O-N 3.46Å; K319-S330 WeakPolarHBondContact CD-O 3.48Å; K319-S330 PolarHBondContact NZ-O 3.38Å; K319-F333 HydrophobicContact CB-CE2 4.49Å; K319-F333 HydrophobicContact CB-CZ 4.08Å; K319-F333 HydrophobicContact CD-CE2 4.15Å; K319-G426 WeakPolarHBondContact CE-O 3.19Å; K319-G426 PolarHBondContact NZ-O 2.79Å; K319-L428 WeakPolarHBondContact CD-O 3.25Å; K319-L428 WeakPolarHBondContact CE-O 3.19Å; K319-L428 PolarHBondContact NZ-O 2.86Å; K319-V429 HydrophobicContact CB-CG2 4.38Å; K319-V429 HydrophobicContact CD-CG2 4.17Å; K319-V429 HydrophobicContact CG-CG2 3.64Å
320	F	98.1	Very high	96.8	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-93.4	-10.6	-165.8	-62	-64.2	0	0	0	112.9	M316 N322 S323 M351 L355 Q367 P407 P427 V429	M316-F320 HydrophobicContact CE-CD2 4.13Å; M316-F320 HydrophobicContact CE-CE2 4.49Å; M316-F320 PolarHBondContact O-N 2.77Å; M316-F320 HydrophobicContact SD-CD2 3.63Å; M316-F320 HydrophobicContact SD-CE2 3.58Å; M316-F320 VanDerWaalsContact SD-CE2 3.58Å; F320-N322 PolarHBondContact O-N 3.1Å; F320-S323 WeakPolarHBondContact O-CA 3.49Å; F320-S323 PolarHBondContact O-N 2.93Å; F320-M351 HydrophobicContact CE1-CE 4.35Å; F320-M351 HydrophobicContact CE2-CG 3.69Å; F320-M351 HydrophobicContact CE2-SD 4.13Å; F320-M351 HydrophobicContact CZ-CE 3.77Å; F320-M351 HydrophobicContact CZ-CG 3.81Å; F320-M351 HydrophobicContact CZ-SD 3.75Å; F320-L355 HydrophobicContact CB-CD2 3.83Å; F320-L355 HydrophobicContact CD1-CD1 3.77Å; F320-L355 HydrophobicContact CD2-CD1 3.8Å; F320-L355 HydrophobicContact CD2-CD2 4.15Å; F320-L355 HydrophobicContact CE1-CD1 3.86Å; F320-L355 HydrophobicContact CE2-CD1 3.88Å; F320-L355 HydrophobicContact CG-CD1 3.76Å; F320-L355 HydrophobicContact CG-CD2 3.94Å; F320-L355 HydrophobicContact CZ-CD1 3.91Å; F320-Q367 PolarHBondContact O-NE2 2.77Å; F320-Q367 PolarHBondContact O-OE1 2.75Å; F320-P407 HydrophobicContact CD1-CB 4.14Å; F320-P407 HydrophobicContact CE1-CB 3.71Å; F320-P407 HydrophobicContact CZ-CB 4.45Å; F320-P427 HydrophobicContact CD1-CB 4.13Å; F320-P427 HydrophobicContact CE1-CB 4.29Å; F320-V429 HydrophobicContact CE1-CG2 4.22Å; F320-V429 HydrophobicContact CE2-CG2 4.24Å; F320-V429 HydrophobicContact CZ-CG2 3.57Å
321	R	95.3	Very high	96.5	Very high	47 Å²	47	8.4 Å²	8.4	18%	0.177	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-54.7	131.3	168.5	-174.6	177.1	67.8	168	2	110.4	A317 S323 G324	A317-R321 VanDerWaalsContact O-CB 3.27Å; A317-R321 WeakPolarHBondContact O-CB 3.38Å; R321-S323 PolarHBondContact O-N 3.01Å; R321-G324 PolarHBondContact O-N 3.46Å
322	N	96.8	Very high	96.4	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	55.4	32.9	-175.4	-160	36.5	0	0	0	112.7	K135 E139 N192 F320 G324 Q325 T326	K135-N322 WeakPolarHBondContact CB-OD1 3.38Å; K135-N322 WeakPolarHBondContact CE-OD1 3.36Å; E139-N322 VanDerWaalsContact CD-N 3.29Å; E139-N322 PolarHBondContact OE1-N 3.44Å; E139-N322 VanDerWaalsContact OE1-N 3.09Å; E139-N322 WeakPolarHBondContact OE2-CA 3.47Å; E139-N322 PolarHBondContact OE2-N 3.45Å; N192-N322 PolarHBondContact O-ND2 2.93Å; F320-N322 PolarHBondContact O-N 3.1Å; N322-G324 PolarHBondContact O-N 3.32Å; N322-Q325 PolarHBondContact ND2-O 3.43Å; N322-Q325 WeakPolarHBondContact O-CB 3.5Å; N322-Q325 WeakPolarHBondContact O-CG 3.25Å; N322-Q325 PolarHBondContact O-N 2.75Å; N322-Q325 PolarHBondContact O-NE2 2.87Å; N322-Q325 VanDerWaalsContact O-NE2 3.07Å; N322-T326 HydrophobicContact CB-CG2 3.68Å
323	S	97.7	Very high	96.4	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.014	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	52.5	35.3	-173.2	-53.9	0	0	0	0	113.3	F320 R321 Q325 G368 G426 P427	F320-S323 WeakPolarHBondContact O-CA 3.49Å; F320-S323 PolarHBondContact O-N 2.93Å; R321-S323 PolarHBondContact O-N 3.01Å; S323-Q325 VanDerWaalsContact C-N 3.33Å; S323-Q325 PolarHBondContact O-N 3.45Å; S323-G368 PolarHBondContact OG-N 3.37Å; S323-G368 VanDerWaalsContact OG-N 3.14Å; S323-G368 PolarHBondContact OG-O 2.87Å; S323-G426 CarbonylContact O-C 3.48Å; S323-G426 VanDerWaalsContact O-C 3.29Å; S323-G426 WeakPolarHBondContact O-CA 3.47Å; S323-P427 VanDerWaalsContact O-CD 3.25Å; S323-P427 WeakPolarHBondContact O-CD 3.41Å
324	G	96.8	Very high	96.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	78.7	12.5	-179.4	0	0	0	0	0	115.7	K319 R321 N322 T326 F425 G426	K319-G324 WeakPolarHBondContact O-CA 3.22Å; K319-G324 PolarHBondContact O-N 3.46Å; R321-G324 PolarHBondContact O-N 3.46Å; N322-G324 PolarHBondContact O-N 3.32Å; G324-T326 PolarHBondContact O-N 3.03Å; G324-F425 CarbonylContact O-C 3.59Å; G324-F425 WeakPolarHBondContact O-CA 3.45Å; G324-G426 PolarHBondContact O-N 3.15Å
325	Q	97.2	Very high	96.4	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	4%	0.035	C	C	.	.			trans	-98.5	52	-176.8	-59.5	172.6	110.6	0	0	111.5	W191 N192 N322 S323 P369 L370 F425	W191-Q325 HydrophobicContact CH2-CB 3.63Å; W191-Q325 HydrophobicContact CH2-CG 3.87Å; W191-Q325 HydrophobicContact CZ3-CB 3.84Å; W191-Q325 HydrophobicContact CZ3-CG 4.29Å; N192-Q325 VanDerWaalsContact CB-O 3.26Å; N192-Q325 WeakPolarHBondContact CB-O 3.31Å; N322-Q325 PolarHBondContact ND2-O 3.43Å; N322-Q325 WeakPolarHBondContact O-CB 3.5Å; N322-Q325 WeakPolarHBondContact O-CG 3.25Å; N322-Q325 PolarHBondContact O-N 2.75Å; N322-Q325 PolarHBondContact O-NE2 2.87Å; N322-Q325 VanDerWaalsContact O-NE2 3.07Å; S323-Q325 VanDerWaalsContact C-N 3.33Å; S323-Q325 PolarHBondContact O-N 3.45Å; Q325-P369 PolarHBondContact NE2-O 2.99Å; Q325-L370 HydrophobicContact CG-CD2 3.65Å; Q325-L370 VanDerWaalsContact OE1-CA 3.25Å; Q325-F425 VanDerWaalsContact CA-CD1 3.48Å; Q325-F425 VanDerWaalsContact CA-CE1 3.45Å; Q325-F425 HydrophobicContact CB-CD1 3.64Å; Q325-F425 HydrophobicContact CB-CE1 3.58Å; Q325-F425 HydrophobicContact CB-CZ 4.49Å; Q325-F425 HydrophobicContact CG-CD1 4.01Å; Q325-F425 HydrophobicContact CG-CE1 4.41Å; Q325-F425 WeakPolarHBondContact CG-O 3.46Å; Q325-F425 WeakPolarHBondContact O-CE1 3.26Å; Q325-F425 WeakPolarHBondContact O-CZ 3.48Å
326	T	94	Very high	96.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-129.9	144.8	173.9	88.2	0	0	0	0	110.4	F193 N322 G324 V328 C329 F425	F193-T326 HydrophobicContact CE2-CG2 3.51Å; F193-T326 HydrophobicContact CZ-CG2 3.74Å; N322-T326 HydrophobicContact CB-CG2 3.68Å; G324-T326 PolarHBondContact O-N 3.03Å; T326-V328 PolarHBondContact O-N 3.06Å; T326-C329 VanDerWaalsContact O-CB 3.29Å; T326-C329 WeakPolarHBondContact O-CB 3.41Å; T326-C329 PolarHBondContact O-N 2.82Å; T326-C329 PolarHBondContact OG1-N 3.35Å; T326-C329 VanDerWaalsContact OG1-N 3.1Å; T326-C329 PolarHBondContact OG1-SG 3.3Å; T326-F425 VanDerWaalsContact C-CE2 3.5Å
327	C	91.1	Very high	96.4	Very high	13 Å²	13	9 Å²	9	9%	0.088	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.1	178.8	49.2	0	0	0	0	112.9	E293 L451	E293-C327 VanDerWaalsContact OE1-CB 3.23Å; E293-C327 WeakPolarHBondContact OE1-CB 3.28Å; E293-C327 PolarHBondContact OE1-SG 3.31Å; C327-L451 HydrophobicContact CB-CD2 3.65Å; C327-L451 WeakPolarHBondContact O-CD2 3.48Å
328	V	94.6	Very high	96.5	Very high	4 Å²	4	10 Å²	10	2%	0.024	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.6	177.4	-58.6	0	0	0	0	113.3	T326 S330 L451 A452 Y454 M474 F489	T326-V328 PolarHBondContact O-N 3.06Å; V328-S330 PolarHBondContact O-N 2.85Å; V328-L451 HydrophobicContact CG1-CD2 4.21Å; V328-L451 HydrophobicContact CG1-CG 4.5Å; V328-A452 HydrophobicContact CB-CB 3.96Å; V328-A452 HydrophobicContact CG1-CB 3.93Å; V328-Y454 VanDerWaalsContact O-CE2 3.28Å; V328-Y454 WeakPolarHBondContact O-CE2 3.42Å; V328-Y454 PolarHBondContact O-OH 3.34Å; V328-M474 HydrophobicContact CG1-CE 4.03Å; V328-F489 HydrophobicContact CG1-CE1 3.71Å; V328-F489 HydrophobicContact CG1-CZ 4.15Å
329	C	93.4	Very high	96.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-59.7	134.9	176.8	-83.3	0	0	0	0	110.3	A298 S318 T326 N331	A298-C329 WeakPolarHBondContact CB-O 3.12Å; S318-C329 WeakPolarHBondContact O-CA 3.44Å; S318-C329 PolarHBondContact O-SG 3.06Å; T326-C329 VanDerWaalsContact O-CB 3.29Å; T326-C329 WeakPolarHBondContact O-CB 3.41Å; T326-C329 PolarHBondContact O-N 2.82Å; T326-C329 PolarHBondContact OG1-N 3.35Å; T326-C329 VanDerWaalsContact OG1-N 3.1Å; T326-C329 PolarHBondContact OG1-SG 3.3Å; C329-N331 PolarHBondContact O-N 3.43Å; C329-N331 PolarHBondContact O-ND2 2.96Å
330	S	94.4	Very high	96.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	120	169.3	50.4	0	0	0	0	109.7	S318 K319 V328 F333	S318-S330 PolarHBondContact OG-OG 2.9Å; K319-S330 WeakPolarHBondContact CD-O 3.48Å; K319-S330 PolarHBondContact NZ-O 3.38Å; V328-S330 PolarHBondContact O-N 2.85Å; S330-F333 WeakPolarHBondContact OG-CE2 3.22Å; S330-F333 WeakPolarHBondContact OG-CZ 3.36Å
331	N	93.4	Very high	96.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-24.1	-177.4	-79.3	-72.9	0	0	0	112.8	H297 A298 C329 P430	H297-N331 VanDerWaalsContact ND1-CB 3.29Å; H297-N331 WeakPolarHBondContact ND1-CB 3.33Å; A298-N331 PolarHBondContact O-N 2.8Å; C329-N331 PolarHBondContact O-N 3.43Å; C329-N331 PolarHBondContact O-ND2 2.96Å; N331-P430 WeakPolarHBondContact O-CD 3.43Å; N331-P430 WeakPolarHBondContact O-CG 3.49Å
332	R	96.2	Very high	96.8	Very high	9 Å²	9	21.5 Å²	21.5	3%	0.034	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	107.7	179.6	-63.5	177.4	-69.3	149.7	4.9	109.1	H297 A298 P299 F300 V443 A444	H297-R332 WeakPolarHBondContact CD2-CD 3.46Å; H297-R332 PolarHBondContact CD2-NE 3.09Å; H297-R332 VanDerWaalsContact CD2-NE 3.31Å; H297-R332 VanDerWaalsContact NE2-CD 3.35Å; H297-R332 WeakPolarHBondContact NE2-CD 3.07Å; H297-R332 PolarHBondContact O-NE 3.31Å; H297-R332 PolarHBondContact O-NH2 3.17Å; A298-R332 PolarHBondContact O-N 3.41Å; P299-R332 CarbonylContact C-O 3.57Å; P299-R332 WeakPolarHBondContact CA-O 3.45Å; F300-R332 PolarHBondContact N-O 3.43Å; R332-V443 PolarHBondContact NH1-O 2.78Å; R332-A444 PolarHBondContact NH1-O 3.47Å; R332-A444 PolarHBondContact NH2-O 2.9Å
333	F	98.7	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.5	178	-72.4	-100.1	0	0	0	109.1	F300 A315 K319 S330 F343 V429 P430 V431 I432	F300-F333 HydrophobicContact CB-CD1 3.81Å; F300-F333 HydrophobicContact CB-CE1 3.87Å; F300-F333 HydrophobicContact CB-CG 4.31Å; F300-F333 HydrophobicContact CB-CZ 4.43Å; F300-F333 AromaticContact CD1-CD1 3.52Å; F300-F333 HydrophobicContact CD1-CD1 3.52Å; F300-F333 AromaticContact CD1-CE1 3.58Å; F300-F333 HydrophobicContact CD1-CE1 3.58Å; F300-F333 HydrophobicContact CD2-CE1 4.18Å; F300-F333 HydrophobicContact CE1-CD1 4.29Å; F300-F333 HydrophobicContact CE1-CE1 4.12Å; F300-F333 AromaticContact CG-CD1 3.81Å; F300-F333 HydrophobicContact CG-CD1 3.81Å; F300-F333 AromaticContact CG-CE1 3.61Å; F300-F333 HydrophobicContact CG-CE1 3.61Å; F300-F333 HydrophobicContact CG-CZ 4.44Å; F300-F333 CarbonylContact O-C 3.58Å; F300-F333 WeakPolarHBondContact O-CA 3.39Å; A315-F333 HydrophobicContact CB-CD1 4.49Å; A315-F333 HydrophobicContact CB-CE1 3.56Å; A315-F333 HydrophobicContact CB-CZ 4.23Å; K319-F333 HydrophobicContact CB-CE2 4.49Å; K319-F333 HydrophobicContact CB-CZ 4.08Å; K319-F333 HydrophobicContact CD-CE2 4.15Å; S330-F333 WeakPolarHBondContact OG-CE2 3.22Å; S330-F333 WeakPolarHBondContact OG-CZ 3.36Å; F333-F343 HydrophobicContact CD1-CE1 4.43Å; F333-F343 HydrophobicContact CD1-CZ 4.25Å; F333-V429 HydrophobicContact CD1-CG1 4.37Å; F333-V429 HydrophobicContact CD2-CB 4.41Å; F333-V429 HydrophobicContact CD2-CG1 3.52Å; F333-V429 HydrophobicContact CE2-CB 4.28Å; F333-V429 HydrophobicContact CE2-CG1 3.67Å; F333-V429 HydrophobicContact CE2-CG2 4.17Å; F333-V429 HydrophobicContact CG-CG1 3.88Å; F333-V429 HydrophobicContact CZ-CG1 4.15Å; F333-V429 HydrophobicContact CZ-CG2 4.48Å; F333-P430 WeakPolarHBondContact CB-O 3.41Å; F333-P430 PolarHBondContact N-O 2.87Å; F333-V431 HydrophobicContact CB-CB 4.38Å; F333-V431 HydrophobicContact CB-CG1 4.28Å; F333-V431 HydrophobicContact CB-CG2 4.02Å; F333-V431 WeakPolarHBondContact O-CA 3.27Å; F333-I432 PolarHBondContact O-N 3.46Å
334	L	98.8	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.5	176.6	-67.1	164	0	0	0	106.4	P299 F300 I301 V302 I432 F434 V443 A444	P299-L334 HydrophobicContact CB-CD1 4.35Å; F300-L334 PolarHBondContact O-N 2.79Å; I301-L334 CarbonylContact C-O 3.58Å; I301-L334 VanDerWaalsContact CA-O 3.27Å; I301-L334 WeakPolarHBondContact CA-O 3.46Å; I301-L334 HydrophobicContact CB-CB 4.43Å; I301-L334 HydrophobicContact CD1-CD1 4.29Å; I301-L334 HydrophobicContact CG1-CB 4.21Å; I301-L334 HydrophobicContact CG1-CD1 3.96Å; I301-L334 HydrophobicContact CG2-CB 4.21Å; V302-L334 PolarHBondContact N-O 2.74Å; L334-I432 WeakPolarHBondContact CA-O 3.42Å; L334-I432 HydrophobicContact CD2-CB 3.78Å; L334-I432 HydrophobicContact CD2-CD1 4.02Å; L334-I432 HydrophobicContact CD2-CG2 3.82Å; L334-F434 VanDerWaalsContact C-CE1 3.48Å; L334-F434 HydrophobicContact CB-CD1 3.82Å; L334-F434 HydrophobicContact CB-CE1 4Å; L334-F434 WeakPolarHBondContact O-CE1 3.32Å; L334-V443 HydrophobicContact CD1-CB 4.36Å; L334-V443 HydrophobicContact CD1-CG1 4.23Å; L334-V443 HydrophobicContact CD2-CB 4.12Å; L334-V443 HydrophobicContact CD2-CG1 3.66Å; L334-A444 HydrophobicContact CD1-CB 4.18Å
335	V	98.9	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.3	-177.2	-175.9	0	0	0	0	109.5	V302 I339 Y340 F343 V431 I432 R433 F434	V302-V335 HydrophobicContact CB-CG1 4.3Å; V302-V335 HydrophobicContact CB-CG2 4.27Å; V302-V335 HydrophobicContact CG2-CG2 4.16Å; V335-I339 HydrophobicContact CG1-CD1 4.36Å; V335-I339 HydrophobicContact CG1-CG1 4.08Å; V335-Y340 HydrophobicContact CB-CD2 3.96Å; V335-Y340 HydrophobicContact CG1-CD2 4.28Å; V335-F343 HydrophobicContact CG1-CB 3.91Å; V335-F343 HydrophobicContact CG1-CD1 4.23Å; V335-F343 HydrophobicContact CG1-CG 4.12Å; V335-F343 HydrophobicContact CG2-CD1 3.61Å; V335-F343 HydrophobicContact CG2-CE1 3.8Å; V335-F343 HydrophobicContact CG2-CG 4.18Å; V335-V431 HydrophobicContact CB-CG1 4.13Å; V335-V431 HydrophobicContact CG2-CG1 3.63Å; V335-I432 PolarHBondContact N-O 3.24Å; V335-R433 WeakPolarHBondContact O-CA 3.47Å; V335-F434 VanDerWaalsContact C-CD1 3.47Å; V335-F434 PolarHBondContact O-N 3.11Å
336	Q	98.8	Very high	97.1	Very high	27 Å²	27	26.2 Å²	26.2	13%	0.126	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	146.5	-176.3	-160.7	165.9	13.6	0	0	111.3	V302 D304 G338 I339 Y340 F434 E435	V302-Q336 PolarHBondContact O-N 3.33Å; D304-Q336 WeakPolarHBondContact OD1-CB 3.48Å; Q336-G338 VanDerWaalsContact C-N 3.29Å; Q336-G338 PolarHBondContact O-N 3.17Å; Q336-I339 PolarHBondContact O-N 3.07Å; Q336-Y340 PolarHBondContact O-N 3.42Å; Q336-F434 WeakPolarHBondContact CA-O 3.41Å; Q336-F434 HydrophobicContact CB-CD2 4.34Å; Q336-F434 HydrophobicContact CB-CE1 3.98Å; Q336-F434 HydrophobicContact CB-CE2 3.68Å; Q336-F434 HydrophobicContact CB-CZ 3.49Å; Q336-F434 VanDerWaalsContact CB-CZ 3.49Å; Q336-F434 HydrophobicContact CG-CD2 4.13Å; Q336-F434 HydrophobicContact CG-CE2 3.62Å; Q336-F434 HydrophobicContact CG-CZ 3.99Å; Q336-E435 PolarHBondContact NE2-O 3.33Å
337	S	98.5	Very high	97.3	Very high	44 Å²	44	26.2 Å²	26.2	31%	0.308	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.2	-171.7	59.5	0	0	0	0	114.2	I339 F434 E435	S337-I339 VanDerWaalsContact C-N 3.3Å; S337-I339 PolarHBondContact O-N 2.74Å; S337-F434 PolarHBondContact N-O 2.88Å; S337-E435 VanDerWaalsContact CB-OE1 3.31Å; S337-E435 WeakPolarHBondContact CB-OE1 3.31Å; S337-E435 WeakPolarHBondContact CB-OE2 3.34Å; S337-E435 PolarHBondContact OG-OE2 3.26Å
338	G	98.6	Very high	97.7	Very high	55 Å²	55	25.7 Å²	25.7	57%	0.567	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.1	-178.2	0	0	0	0	0	114.7	D304 Q336	D304-G338 WeakPolarHBondContact OD1-CA 3.36Å; D304-G338 PolarHBondContact OD1-N 3.14Å; D304-G338 VanDerWaalsContact OD1-N 3.11Å; Q336-G338 VanDerWaalsContact C-N 3.29Å; Q336-G338 PolarHBondContact O-N 3.17Å
339	I	98.6	Very high	97.9	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.046	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	0.6	179.6	61.6	163.2	0	0	0	114.4	V302 F303 D304 A306 V308 V335 Q336 S337 E341 R342 F343	V302-I339 HydrophobicContact CB-CD1 4.19Å; V302-I339 HydrophobicContact CG1-CD1 3.47Å; V302-I339 VanDerWaalsContact CG1-CD1 3.47Å; F303-I339 WeakPolarHBondContact O-CD1 3.46Å; D304-I339 HydrophobicContact CB-CG2 4.49Å; D304-I339 PolarHBondContact OD1-N 2.77Å; D304-I339 VanDerWaalsContact OD1-N 3.11Å; A306-I339 HydrophobicContact CB-CD1 4.43Å; V308-I339 HydrophobicContact CG2-CB 4.37Å; V308-I339 HydrophobicContact CG2-CD1 4.42Å; V308-I339 HydrophobicContact CG2-CG2 4.37Å; V335-I339 HydrophobicContact CG1-CD1 4.36Å; V335-I339 HydrophobicContact CG1-CG1 4.08Å; Q336-I339 PolarHBondContact O-N 3.07Å; S337-I339 VanDerWaalsContact C-N 3.3Å; S337-I339 PolarHBondContact O-N 2.74Å; I339-E341 PolarHBondContact O-N 3.28Å; I339-R342 PolarHBondContact O-N 3.12Å; I339-R342 VanDerWaalsContact O-N 3.15Å; I339-F343 PolarHBondContact O-N 3.05Å
340	Y	98.8	Very high	98.1	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-50	-56.3	-172.7	-173.1	-90	0	0	0	114	V335 Q336 R342 F343 L344 G412 V431 R433	V335-Y340 HydrophobicContact CB-CD2 3.96Å; V335-Y340 HydrophobicContact CG1-CD2 4.28Å; Q336-Y340 PolarHBondContact O-N 3.42Å; Y340-R342 VanDerWaalsContact C-N 3.34Å; Y340-R342 PolarHBondContact O-N 2.75Å; Y340-F343 PolarHBondContact O-N 3.19Å; Y340-L344 HydrophobicContact CD1-CD1 3.69Å; Y340-L344 HydrophobicContact CD1-CG 4.4Å; Y340-L344 HydrophobicContact CE1-CD1 3.19Å; Y340-L344 HydrophobicContact CE1-CG 4.19Å; Y340-L344 WeakPolarHBondContact O-CG 3.32Å; Y340-L344 PolarHBondContact O-N 3.45Å; Y340-G412 PolarHBondContact OH-N 2.93Å; Y340-G412 VanDerWaalsContact OH-N 3.09Å; Y340-V431 HydrophobicContact CD2-CG1 4.42Å; Y340-V431 HydrophobicContact CE2-CG1 3.68Å; Y340-V431 PolarHBondContact OH-O 3.38Å; Y340-R433 HydrophobicContact CD2-CB 3.69Å; Y340-R433 HydrophobicContact CD2-CG 3.76Å; Y340-R433 HydrophobicContact CE2-CB 3.56Å; Y340-R433 HydrophobicContact CE2-CG 4.16Å; Y340-R433 HydrophobicContact CG-CG 4.24Å
341	E	98.4	Very high	98.3	Very high	111 Å²	111	33.6 Å²	33.6	52%	0.519	17%	0.172	S	C	.	.	H	α-helix	trans	-67.1	-36.5	-177.4	-60	-59.8	156	0	0	111.8	I339 L344 D345 R433	I339-E341 PolarHBondContact O-N 3.28Å; E341-L344 PolarHBondContact O-N 3.39Å; E341-D345 WeakPolarHBondContact O-CB 3.34Å; E341-D345 PolarHBondContact O-N 3Å; E341-R433 IonicContact OE1-NH2 2.8Å; E341-R433 PolarHBondContact OE1-NH2 3.38Å
342	R	98.5	Very high	98.5	Very high	170 Å²	170	38.2 Å²	38.2	64%	0.642	20%	0.197	S	C	*	.	H	α-helix	trans	-66.2	-40.5	178.2	-69.6	177	63.1	-159.3	-1.3	111.8	I339 Y340 G346	I339-R342 PolarHBondContact O-N 3.12Å; I339-R342 VanDerWaalsContact O-N 3.15Å; Y340-R342 VanDerWaalsContact C-N 3.34Å; Y340-R342 PolarHBondContact O-N 2.75Å; R342-G346 PolarHBondContact O-N 3.38Å
343	F	98.8	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-45.6	176.5	178	-92.6	0	0	0	111.4	F300 V302 V308 A311 V312 A315 F333 V335 I339 Y340 D345 G346 L347	F300-F343 HydrophobicContact CE1-CZ 4.45Å; V302-F343 HydrophobicContact CG1-CD2 4.27Å; V302-F343 HydrophobicContact CG2-CD2 4.23Å; V302-F343 HydrophobicContact CG2-CE2 3.86Å; V302-F343 HydrophobicContact CG2-CZ 4.17Å; V308-F343 HydrophobicContact CG1-CB 4.44Å; A311-F343 HydrophobicContact CB-CD2 4.24Å; A311-F343 HydrophobicContact CB-CE2 3.95Å; V312-F343 HydrophobicContact CG2-CD2 3.95Å; V312-F343 HydrophobicContact CG2-CE2 4.02Å; A315-F343 HydrophobicContact CB-CE2 4.48Å; A315-F343 HydrophobicContact CB-CZ 3.97Å; F333-F343 HydrophobicContact CD1-CE1 4.43Å; F333-F343 HydrophobicContact CD1-CZ 4.25Å; V335-F343 HydrophobicContact CG1-CB 3.91Å; V335-F343 HydrophobicContact CG1-CD1 4.23Å; V335-F343 HydrophobicContact CG1-CG 4.12Å; V335-F343 HydrophobicContact CG2-CD1 3.61Å; V335-F343 HydrophobicContact CG2-CE1 3.8Å; V335-F343 HydrophobicContact CG2-CG 4.18Å; I339-F343 PolarHBondContact O-N 3.05Å; Y340-F343 PolarHBondContact O-N 3.19Å; F343-D345 PolarHBondContact O-N 3.36Å; F343-G346 PolarHBondContact O-N 3.36Å; F343-L347 HydrophobicContact CE1-CB 4.48Å; F343-L347 HydrophobicContact CE1-CD2 3.88Å; F343-L347 HydrophobicContact CZ-CD2 4.14Å; F343-L347 WeakPolarHBondContact O-CB 3.33Å; F343-L347 PolarHBondContact O-N 2.91Å
344	L	98.8	Very high	98.6	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-45.1	177.9	-74.3	180	0	0	0	112.6	Y340 E341 G348 L394 L409 A411 V431	Y340-L344 HydrophobicContact CD1-CD1 3.69Å; Y340-L344 HydrophobicContact CD1-CG 4.4Å; Y340-L344 HydrophobicContact CE1-CD1 3.19Å; Y340-L344 HydrophobicContact CE1-CG 4.19Å; Y340-L344 WeakPolarHBondContact O-CG 3.32Å; Y340-L344 PolarHBondContact O-N 3.45Å; E341-L344 PolarHBondContact O-N 3.39Å; L344-G348 PolarHBondContact O-N 2.84Å; L344-L394 HydrophobicContact CB-CD1 4.32Å; L344-L394 HydrophobicContact CD1-CD1 3.97Å; L344-L394 HydrophobicContact CD2-CD1 4.23Å; L344-L394 HydrophobicContact CG-CD1 4.43Å; L344-L409 HydrophobicContact CD2-CD1 4.07Å; L344-L409 HydrophobicContact CD2-CD2 4.35Å; L344-L409 HydrophobicContact CD2-CG 4.43Å; L344-A411 HydrophobicContact CD1-CB 3.76Å; L344-V431 HydrophobicContact CD2-CB 3.93Å; L344-V431 HydrophobicContact CD2-CG1 4.02Å; L344-V431 HydrophobicContact CD2-CG2 3.64Å
345	D	98.6	Very high	98.6	Very high	83 Å²	83	47.6 Å²	47.6	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-46	176.3	176.7	70.8	0	0	0	111.6	E341 F343 L347 G348 R349	E341-D345 WeakPolarHBondContact O-CB 3.34Å; E341-D345 PolarHBondContact O-N 3Å; F343-D345 PolarHBondContact O-N 3.36Å; D345-L347 PolarHBondContact O-N 2.82Å; D345-G348 PolarHBondContact O-N 3.26Å; D345-R349 WeakPolarHBondContact O-CG 3.43Å; D345-R349 PolarHBondContact O-N 3.47Å; D345-R349 IonicContact OD1-NE 2.81Å; D345-R349 IonicContact OD2-CZ 3.87Å; D345-R349 IonicContact OD2-NE 2.92Å; D345-R349 PolarHBondContact OD2-NE 3.24Å; D345-R349 IonicContact OD2-NH2 3.29Å; D345-R349 PolarHBondContact OD2-NH2 2.98Å
346	G	98.7	Very high	98.5	Very high	14 Å²	14	52 Å²	52	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-45.7	177.4	0	0	0	0	0	112.6	R342 F343 R349 A350	R342-G346 PolarHBondContact O-N 3.38Å; F343-G346 PolarHBondContact O-N 3.36Å; G346-R349 PolarHBondContact O-N 2.85Å; G346-A350 PolarHBondContact O-N 3.1Å
347	L	98.8	Very high	98.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-43.7	178.1	-176.9	58.5	0	0	0	111.7	V312 A315 M316 F343 D345 R349 A350 M351 L409 V429	V312-L347 HydrophobicContact CG1-CD1 4.32Å; V312-L347 HydrophobicContact CG2-CB 4.33Å; A315-L347 HydrophobicContact CB-CD1 4.04Å; A315-L347 HydrophobicContact CB-CD2 4.47Å; M316-L347 HydrophobicContact CG-CD1 3.97Å; M316-L347 HydrophobicContact SD-CD1 3.67Å; F343-L347 HydrophobicContact CE1-CB 4.48Å; F343-L347 HydrophobicContact CE1-CD2 3.88Å; F343-L347 HydrophobicContact CZ-CD2 4.14Å; F343-L347 WeakPolarHBondContact O-CB 3.33Å; F343-L347 PolarHBondContact O-N 2.91Å; D345-L347 PolarHBondContact O-N 2.82Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.5Å; L347-A350 PolarHBondContact O-N 2.88Å; L347-M351 HydrophobicContact CD1-CG 4.35Å; L347-M351 HydrophobicContact CG-CG 4.44Å; L347-M351 HydrophobicContact CG-SD 4.13Å; L347-M351 WeakPolarHBondContact O-CB 3.46Å; L347-M351 VanDerWaalsContact O-CG 3.24Å; L347-M351 WeakPolarHBondContact O-CG 3.04Å; L347-M351 PolarHBondContact O-N 2.97Å; L347-L409 HydrophobicContact CD2-CD1 3.94Å; L347-V429 HydrophobicContact CD2-CG1 3.84Å
348	G	98.7	Very high	98.4	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-43.6	175.7	0	0	0	0	0	112.4	L344 D345 M351 D352	L344-G348 PolarHBondContact O-N 2.84Å; D345-G348 PolarHBondContact O-N 3.26Å; G348-M351 PolarHBondContact O-N 3.39Å; G348-D352 VanDerWaalsContact O-CG 3.23Å; G348-D352 PolarHBondContact O-N 2.91Å
349	R	98.6	Very high	98.4	Very high	151 Å²	151	50.1 Å²	50.1	57%	0.57	25%	0.25	S	S	*	.	H	α-helix	trans	-64.3	-42.1	175.9	-75.1	-171.9	-79	136.5	-4.8	112.9	D345 G346 L347 D352 A353	D345-R349 WeakPolarHBondContact O-CG 3.43Å; D345-R349 PolarHBondContact O-N 3.47Å; D345-R349 IonicContact OD1-NE 2.81Å; D345-R349 IonicContact OD2-CZ 3.87Å; D345-R349 IonicContact OD2-NE 2.92Å; D345-R349 PolarHBondContact OD2-NE 3.24Å; D345-R349 IonicContact OD2-NH2 3.29Å; D345-R349 PolarHBondContact OD2-NH2 2.98Å; G346-R349 PolarHBondContact O-N 2.85Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.5Å; R349-D352 PolarHBondContact O-N 3.2Å; R349-A353 WeakPolarHBondContact O-CB 3.29Å; R349-A353 PolarHBondContact O-N 3.24Å; R349-A353 VanDerWaalsContact O-N 3.1Å
350	A	98.7	Very high	98.3	Very high	12 Å²	12	49.7 Å²	49.7	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.4	0	0	0	0	0	111.6	V312 M316 G346 L347 D352 A353 E354	V312-A350 HydrophobicContact CG1-CB 3.7Å; M316-A350 HydrophobicContact CE-CB 4.2Å; M316-A350 HydrophobicContact CG-CB 3.88Å; M316-A350 HydrophobicContact SD-CB 3.9Å; G346-A350 PolarHBondContact O-N 3.1Å; L347-A350 PolarHBondContact O-N 2.88Å; A350-D352 PolarHBondContact O-N 3.41Å; A350-A353 PolarHBondContact O-N 2.84Å; A350-E354 WeakPolarHBondContact O-CB 3.11Å; A350-E354 WeakPolarHBondContact O-CG 3.26Å; A350-E354 PolarHBondContact O-N 3.37Å
351	M	98.7	Very high	98.2	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-57.4	-49.9	174.2	-72.1	172.8	63.7	0	0	111.7	M316 F320 L347 G348 A353 L355 R395 P407 L409	M316-M351 HydrophobicContact SD-CG 3.83Å; F320-M351 HydrophobicContact CE1-CE 4.35Å; F320-M351 HydrophobicContact CE2-CG 3.69Å; F320-M351 HydrophobicContact CE2-SD 4.13Å; F320-M351 HydrophobicContact CZ-CE 3.77Å; F320-M351 HydrophobicContact CZ-CG 3.81Å; F320-M351 HydrophobicContact CZ-SD 3.75Å; L347-M351 HydrophobicContact CD1-CG 4.35Å; L347-M351 HydrophobicContact CG-CG 4.44Å; L347-M351 HydrophobicContact CG-SD 4.13Å; L347-M351 WeakPolarHBondContact O-CB 3.46Å; L347-M351 VanDerWaalsContact O-CG 3.24Å; L347-M351 WeakPolarHBondContact O-CG 3.04Å; L347-M351 PolarHBondContact O-N 2.97Å; G348-M351 PolarHBondContact O-N 3.39Å; M351-A353 VanDerWaalsContact C-N 3.25Å; M351-A353 PolarHBondContact O-N 2.95Å; M351-L355 HydrophobicContact CB-CD1 3.94Å; M351-L355 HydrophobicContact CE-CD1 4.47Å; M351-L355 HydrophobicContact CG-CD1 3.86Å; M351-L355 VanDerWaalsContact O-CB 3.31Å; M351-L355 WeakPolarHBondContact O-CB 3.4Å; M351-L355 WeakPolarHBondContact O-CG 3.19Å; M351-L355 PolarHBondContact O-N 3.46Å; M351-L355 VanDerWaalsContact O-N 3.1Å; M351-R395 HydrophobicContact CE-CB 4.16Å; M351-P407 HydrophobicContact CE-CB 4.02Å; M351-L409 HydrophobicContact CE-CB 4.02Å; M351-L409 HydrophobicContact SD-CB 3.86Å; M351-L409 HydrophobicContact SD-CD2 4.22Å
352	D	98.3	Very high	98.1	Very high	98 Å²	98	48.4 Å²	48.4	52%	0.524	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-31.1	-179.5	-66.7	-25.3	0	0	0	112.3	G348 R349 A350 R395	G348-D352 VanDerWaalsContact O-CG 3.23Å; G348-D352 PolarHBondContact O-N 2.91Å; R349-D352 PolarHBondContact O-N 3.2Å; A350-D352 PolarHBondContact O-N 3.41Å; D352-R395 WeakPolarHBondContact OD1-CD 3.38Å; D352-R395 IonicContact OD1-NE 3.79Å; D352-R395 PolarHBondContact OD1-NE 3.32Å; D352-R395 IonicContact OD2-CZ 2.88Å; D352-R395 IonicContact OD2-NE 2.64Å; D352-R395 PolarHBondContact OD2-NE 3.48Å; D352-R395 IonicContact OD2-NH2 3Å; D352-R395 PolarHBondContact OD2-NH2 3.47Å; D352-R395 VanDerWaalsContact OD2-NH2 3.17Å
353	A	98.1	Very high	97.9	Very high	68 Å²	68	47.1 Å²	47.1	56%	0.562	26%	0.261	S	S	*	.	H	α-helix	trans	-86.9	-31.8	-176.5	0	0	0	0	0	114.2	R349 A350 M351 H356	R349-A353 WeakPolarHBondContact O-CB 3.29Å; R349-A353 PolarHBondContact O-N 3.24Å; R349-A353 VanDerWaalsContact O-N 3.1Å; A350-A353 PolarHBondContact O-N 2.84Å; M351-A353 VanDerWaalsContact C-N 3.25Å; M351-A353 PolarHBondContact O-N 2.95Å; A353-H356 PolarHBondContact O-CE1 3.23Å
354	E	98	Very high	97.8	Very high	107 Å²	107	50.3 Å²	50.3	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-112.6	-24	-166.8	-61.6	178.6	-133.7	0	0	113.5	M316 A350 H356 T366	M316-E354 HydrophobicContact CE-CB 3.86Å; M316-E354 HydrophobicContact CE-CG 4.49Å; A350-E354 WeakPolarHBondContact O-CB 3.11Å; A350-E354 WeakPolarHBondContact O-CG 3.26Å; A350-E354 PolarHBondContact O-N 3.37Å; E354-H356 PolarHBondContact O-ND1 2.5Å; E354-T366 WeakPolarHBondContact O-CG2 3.39Å; E354-T366 PolarHBondContact O-OG1 3.03Å
355	L	98.4	Very high	97.8	Very high	31 Å²	31	50.3 Å²	50.3	16%	0.162	29%	0.287	C	S	.	.			trans	-91.8	112.1	-173.5	-55.4	-177	0	0	0	112.2	M316 F320 M351 T366 Q367 P407	M316-L355 HydrophobicContact CE-CD1 4.34Å; M316-L355 HydrophobicContact CE-CD2 3.77Å; M316-L355 HydrophobicContact CE-CG 3.89Å; F320-L355 HydrophobicContact CB-CD2 3.83Å; F320-L355 HydrophobicContact CD1-CD1 3.77Å; F320-L355 HydrophobicContact CD2-CD1 3.8Å; F320-L355 HydrophobicContact CD2-CD2 4.15Å; F320-L355 HydrophobicContact CE1-CD1 3.86Å; F320-L355 HydrophobicContact CE2-CD1 3.88Å; F320-L355 HydrophobicContact CG-CD1 3.76Å; F320-L355 HydrophobicContact CG-CD2 3.94Å; F320-L355 HydrophobicContact CZ-CD1 3.91Å; M351-L355 HydrophobicContact CB-CD1 3.94Å; M351-L355 HydrophobicContact CE-CD1 4.47Å; M351-L355 HydrophobicContact CG-CD1 3.86Å; M351-L355 VanDerWaalsContact O-CB 3.31Å; M351-L355 WeakPolarHBondContact O-CB 3.4Å; M351-L355 WeakPolarHBondContact O-CG 3.19Å; M351-L355 PolarHBondContact O-N 3.46Å; M351-L355 VanDerWaalsContact O-N 3.1Å; L355-T366 WeakPolarHBondContact CA-OG1 3.38Å; L355-Q367 HydrophobicContact CB-CG 4.08Å; L355-Q367 HydrophobicContact CD2-CG 3.95Å; L355-Q367 HydrophobicContact CG-CG 4.45Å; L355-P407 HydrophobicContact CB-CG 4.28Å; L355-P407 HydrophobicContact CD1-CB 3.5Å; L355-P407 VanDerWaalsContact CD1-CB 3.5Å; L355-P407 HydrophobicContact CD1-CG 3.77Å
356	H	97.9	Very high	97.8	Very high	91 Å²	91	48.8 Å²	48.8	42%	0.421	28%	0.282	S	S	.	.			trans	-123.9	109.9	-177.6	-60.6	90.2	0	0	0	108.6	A353 E354 A364 T366 Q367	A353-H356 PolarHBondContact O-CE1 3.23Å; E354-H356 PolarHBondContact O-ND1 2.5Å; H356-A364 WeakPolarHBondContact CB-O 3.49Å; H356-T366 PolarHBondContact N-OG1 3.46Å; H356-T366 PolarHBondContact O-N 3.01Å; H356-Q367 PolarHBondContact O-N 2.85Å
357	L	97.7	Very high	97.7	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.346	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-74.6	137.4	176.6	-72.2	161.5	0	0	0	110.6	Q367 L400 F404 E406	L357-Q367 WeakPolarHBondContact CA-O 3.49Å; L357-Q367 HydrophobicContact CD2-CB 3.6Å; L357-Q367 HydrophobicContact CG-CB 4.19Å; L357-L400 HydrophobicContact CD1-CD1 3.73Å; L357-F404 HydrophobicContact CD2-CD1 4.09Å; L357-E406 HydrophobicContact CD1-CG 4.48Å
358	G	97.1	Very high	97.7	Very high	12 Å²	12	48.5 Å²	48.5	12%	0.124	28%	0.278	C	S	.	.	S	Bend	trans	176.7	-178.5	175.7	0	0	0	0	0	112.9	T365 Q367 F404	G358-T365 WeakPolarHBondContact CA-OG1 3.41Å; G358-T365 WeakPolarHBondContact O-CG2 3.42Å; G358-Q367 PolarHBondContact N-O 3.45Å; G358-Q367 VanDerWaalsContact N-O 3.15Å; G358-F404 WeakPolarHBondContact O-CE1 3.44Å
359	H	97.8	Very high	97.7	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	28%	0.277	C	S	.	.			trans	-65.3	136.2	170.1	-173.4	-83.6	0	0	0	109.5	Y37 D67 A69 F131 S361 E362 T365	Y37-H359 HydrophobicContact CD1-CB 4.25Å; Y37-H359 AromaticContact CD1-CE1 3.93Å; Y37-H359 AromaticContact CD1-CG 3.74Å; Y37-H359 AromaticContact CD1-ND1 3.55Å; Y37-H359 AromaticContact CD2-CD2 3.76Å; Y37-H359 HydrophobicContact CE1-CB 3.65Å; Y37-H359 AromaticContact CE1-CG 3.68Å; Y37-H359 AromaticContact CE1-ND1 3.82Å; Y37-H359 HydrophobicContact CE2-CB 3.99Å; Y37-H359 AromaticContact CE2-CD2 3.96Å; Y37-H359 AromaticContact CE2-CG 3.98Å; Y37-H359 AromaticContact CG-CD2 3.86Å; Y37-H359 AromaticContact CG-CE1 3.9Å; Y37-H359 AromaticContact CG-CG 3.92Å; Y37-H359 AromaticContact CG-ND1 3.91Å; Y37-H359 AromaticContact CG-NE2 3.86Å; Y37-H359 VanDerWaalsContact CZ-CB 3.5Å; Y37-H359 AromaticContact CZ-CG 3.79Å; D67-H359 IonicContact OD1-NE2 2.72Å; D67-H359 IonicContact OD2-CD2 3.1Å; D67-H359 IonicContact OD2-NE2 3.72Å; D67-H359 PolarHBondContact OD2-NE2 3.11Å; D67-H359 VanDerWaalsContact OD2-NE2 3.08Å; A69-H359 VanDerWaalsContact CB-CD2 3.44Å; A69-H359 WeakPolarHBondContact CB-CD2 3.49Å; F131-H359 AromaticContact CE1-CE1 3.95Å; H359-S361 PolarHBondContact CE1-OG 3.43Å; H359-S361 WeakPolarHBondContact ND1-CB 3.24Å; H359-S361 PolarHBondContact ND1-N 3.15Å; H359-S361 VanDerWaalsContact ND1-N 3.16Å; H359-S361 PolarHBondContact ND1-OG 3.45Å; H359-S361 PolarHBondContact O-N 3.45Å; H359-E362 HydrophobicContact CB-CG 4.26Å; H359-E362 WeakPolarHBondContact O-CB 3.32Å; H359-E362 PolarHBondContact O-N 2.89Å; H359-T365 WeakPolarHBondContact O-CB 3.43Å; H359-T365 PolarHBondContact O-OG1 3.29Å
360	G	97.4	Very high	97.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.01	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	-172.2	0	0	0	0	0	114.9	T130 P136 L137 E362	T130-G360 VanDerWaalsContact CG2-C 3.44Å; P136-G360 WeakPolarHBondContact CA-O 3.42Å; L137-G360 PolarHBondContact N-O 2.83Å; G360-E362 VanDerWaalsContact C-N 3.34Å
361	S	96	Very high	97.7	Very high	44 Å²	44	41.3 Å²	41.3	31%	0.308	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.9	175.2	76	0	0	0	0	114.2	Y37 H359	Y37-S361 WeakPolarHBondContact CD1-OG 3.44Å; H359-S361 PolarHBondContact CE1-OG 3.43Å; H359-S361 WeakPolarHBondContact ND1-CB 3.24Å; H359-S361 PolarHBondContact ND1-N 3.15Å; H359-S361 VanDerWaalsContact ND1-N 3.16Å; H359-S361 PolarHBondContact ND1-OG 3.45Å; H359-S361 PolarHBondContact O-N 3.45Å
362	E	96.7	Very high	97.6	Very high	44 Å²	44	42.9 Å²	42.9	21%	0.206	26%	0.256	C	S	.	.	S	Bend	trans	-80.4	134.9	179.3	-61.4	-170.8	173.5	0	0	110.7	R35 Y37 H359 G360 A364 T365	R35-E362 IonicContact CZ-OE1 2.77Å; R35-E362 IonicContact NH1-OE1 3.71Å; R35-E362 PolarHBondContact NH1-OE1 3.38Å; R35-E362 IonicContact NH1-OE2 3.78Å; R35-E362 PolarHBondContact NH1-OE2 3.42Å; R35-E362 VanDerWaalsContact NH1-OE2 3.1Å; Y37-E362 HydrophobicContact CE1-CG 3.94Å; Y37-E362 WeakPolarHBondContact CE1-OE1 3.39Å; Y37-E362 PolarHBondContact OH-OE1 2.94Å; H359-E362 HydrophobicContact CB-CG 4.26Å; H359-E362 WeakPolarHBondContact O-CB 3.32Å; H359-E362 PolarHBondContact O-N 2.89Å; G360-E362 VanDerWaalsContact C-N 3.34Å; E362-A364 PolarHBondContact O-N 2.87Å; E362-A364 VanDerWaalsContact O-N 3.12Å; E362-T365 WeakPolarHBondContact O-CB 3.21Å; E362-T365 PolarHBondContact O-N 3.48Å; E362-T365 VanDerWaalsContact O-N 3.08Å
363	P	94.6	Very high	97.4	Very high	142 Å²	142	40 Å²	40	92%	0.922	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.4	-174.2	-27.4	35.1	0	0	0	115.5
364	A	96.3	Very high	97.3	Very high	68 Å²	68	44.8 Å²	44.8	56%	0.562	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.9	-178.5	0	0	0	0	0	113.1	H356 E362 T366	H356-A364 WeakPolarHBondContact CB-O 3.49Å; E362-A364 PolarHBondContact O-N 2.87Å; E362-A364 VanDerWaalsContact O-N 3.12Å; A364-T366 PolarHBondContact O-N 3.24Å
365	T	98.3	Very high	97.3	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.037	23%	0.234	C	C	.	.			trans	-70.3	125.3	-176.7	-62.9	0	0	0	0	110.2	P136 G358 H359 E362 Q367	P136-T365 HydrophobicContact CG-CG2 4.21Å; G358-T365 WeakPolarHBondContact CA-OG1 3.41Å; G358-T365 WeakPolarHBondContact O-CG2 3.42Å; H359-T365 WeakPolarHBondContact O-CB 3.43Å; H359-T365 PolarHBondContact O-OG1 3.29Å; E362-T365 WeakPolarHBondContact O-CB 3.21Å; E362-T365 PolarHBondContact O-N 3.48Å; E362-T365 VanDerWaalsContact O-N 3.08Å; T365-Q367 WeakPolarHBondContact CG2-O 3.49Å
366	T	98.2	Very high	97.2	Very high	52 Å²	52	39.1 Å²	39.1	32%	0.319	23%	0.226	S	C	.	.			trans	-114.9	-12.9	168.7	61	0	0	0	0	112.1	P136 E354 L355 H356 A364	P136-T366 WeakPolarHBondContact CG-O 3.33Å; E354-T366 WeakPolarHBondContact O-CG2 3.39Å; E354-T366 PolarHBondContact O-OG1 3.03Å; L355-T366 WeakPolarHBondContact CA-OG1 3.38Å; H356-T366 PolarHBondContact N-OG1 3.46Å; H356-T366 PolarHBondContact O-N 3.01Å; A364-T366 PolarHBondContact O-N 3.24Å
367	Q	98.5	Very high	97.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.019	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-127.2	113.9	174.9	-65.6	-63.9	-81.3	0	0	110.5	F320 L355 H356 L357 G358 T365 P407	F320-Q367 PolarHBondContact O-NE2 2.77Å; F320-Q367 PolarHBondContact O-OE1 2.75Å; L355-Q367 HydrophobicContact CB-CG 4.08Å; L355-Q367 HydrophobicContact CD2-CG 3.95Å; L355-Q367 HydrophobicContact CG-CG 4.45Å; H356-Q367 PolarHBondContact O-N 2.85Å; L357-Q367 WeakPolarHBondContact CA-O 3.49Å; L357-Q367 HydrophobicContact CD2-CB 3.6Å; L357-Q367 HydrophobicContact CG-CB 4.19Å; G358-Q367 PolarHBondContact N-O 3.45Å; G358-Q367 VanDerWaalsContact N-O 3.15Å; T365-Q367 WeakPolarHBondContact CG2-O 3.49Å; Q367-P407 HydrophobicContact CG-CG 4.03Å
368	G	98.1	Very high	97.2	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	23%	0.229	C	C	.	.			trans	-81.5	177.3	171.7	0	0	0	0	0	112.5	G134 S323	G134-G368 WeakPolarHBondContact O-CA 3.27Å; S323-G368 PolarHBondContact OG-N 3.37Å; S323-G368 VanDerWaalsContact OG-N 3.14Å; S323-G368 PolarHBondContact OG-O 2.87Å
369	P	98.3	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.			trans	-64.9	165	172	36.3	-42.7	0	0	0	111.1	P68 A69 G134 Q325 F404	P68-P369 HydrophobicContact CB-CG 4.08Å; P68-P369 HydrophobicContact CG-CG 4.08Å; A69-P369 HydrophobicContact CB-CB 4.49Å; A69-P369 HydrophobicContact CB-CG 3.76Å; G134-P369 WeakPolarHBondContact O-CD 3.4Å; Q325-P369 PolarHBondContact NE2-O 2.99Å; P369-F404 HydrophobicContact CB-CD1 4.09Å; P369-F404 HydrophobicContact CB-CD2 4.26Å; P369-F404 HydrophobicContact CB-CE1 3.95Å; P369-F404 HydrophobicContact CB-CE2 4.11Å; P369-F404 HydrophobicContact CB-CG 4.25Å; P369-F404 HydrophobicContact CB-CZ 3.95Å; P369-F404 HydrophobicContact CG-CE1 4.49Å; P369-F404 HydrophobicContact CG-CZ 4.34Å
370	L	98.6	Very high	97.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	23%	0.231	C	C	.	.			trans	-71.5	157.8	158	-62	-177.4	0	0	0	110.2	Q325 N372 A375 V376 V379 S403 M405	Q325-L370 HydrophobicContact CG-CD2 3.65Å; Q325-L370 VanDerWaalsContact OE1-CA 3.25Å; L370-N372 PolarHBondContact O-N 2.83Å; L370-A375 HydrophobicContact CB-CB 3.94Å; L370-A375 HydrophobicContact CD1-CB 4.13Å; L370-V376 HydrophobicContact CB-CG2 4.13Å; L370-V376 HydrophobicContact CD1-CB 4.4Å; L370-V376 HydrophobicContact CD1-CG2 3.92Å; L370-V376 HydrophobicContact CG-CG2 4.4Å; L370-V379 HydrophobicContact CD1-CG2 3.83Å; L370-S403 WeakPolarHBondContact CB-O 3.25Å; L370-S403 PolarHBondContact N-O 2.88Å; L370-S403 WeakPolarHBondContact O-CB 3.41Å; L370-M405 HydrophobicContact CD1-CB 4.13Å; L370-M405 HydrophobicContact CG-CB 4.5Å
371	I	98.1	Very high	97.4	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.062	25%	0.251	C	S	.	.	S	Bend	trans	-60.6	-31.9	-172.6	-166.1	63.9	0	0	0	113.4	P68 W191 D219 T220 A375	P68-I371 WeakPolarHBondContact CB-O 3.47Å; W191-I371 HydrophobicContact CD2-CB 4.08Å; W191-I371 HydrophobicContact CD2-CD1 4.22Å; W191-I371 HydrophobicContact CD2-CG1 3.75Å; W191-I371 HydrophobicContact CD2-CG2 4.17Å; W191-I371 HydrophobicContact CE3-CB 3.81Å; W191-I371 HydrophobicContact CE3-CD1 3.82Å; W191-I371 HydrophobicContact CE3-CG1 3.7Å; W191-I371 HydrophobicContact CE3-CG2 4.28Å; W191-I371 HydrophobicContact CG-CG1 4.15Å; W191-I371 HydrophobicContact CH2-CB 3.73Å; W191-I371 HydrophobicContact CH2-CG1 4.47Å; W191-I371 HydrophobicContact CH2-CG2 3.54Å; W191-I371 HydrophobicContact CZ2-CB 4.04Å; W191-I371 HydrophobicContact CZ2-CG2 3.44Å; W191-I371 VanDerWaalsContact CZ2-CG2 3.44Å; W191-I371 HydrophobicContact CZ3-CB 3.63Å; W191-I371 HydrophobicContact CZ3-CD1 4.34Å; W191-I371 HydrophobicContact CZ3-CG1 4.09Å; W191-I371 HydrophobicContact CZ3-CG2 4Å; D219-I371 HydrophobicContact CB-CD1 4.07Å; D219-I371 HydrophobicContact CB-CG1 4Å; T220-I371 HydrophobicContact CG2-CD1 4.44Å; I371-A375 HydrophobicContact CG2-CB 4.29Å
372	N	96.4	Very high	97.5	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	24%	0.237	C	C	.	.	S	Bend	trans	-161.7	172.9	177.6	59.2	51.8	0	0	0	112.6	L370 R374 A375 V376	L370-N372 PolarHBondContact O-N 2.83Å; N372-R374 VanDerWaalsContact C-N 3.29Å; N372-R374 PolarHBondContact O-N 3.3Å; N372-R374 WeakPolarHBondContact OD1-CB 3.36Å; N372-R374 PolarHBondContact OD1-N 3.23Å; N372-R374 VanDerWaalsContact OD1-N 3.16Å; N372-A375 WeakPolarHBondContact O-CB 3.5Å; N372-A375 PolarHBondContact O-N 3.29Å; N372-A375 VanDerWaalsContact O-N 3.11Å; N372-A375 PolarHBondContact OD1-N 2.94Å; N372-A375 VanDerWaalsContact OD1-N 3.16Å; N372-V376 PolarHBondContact O-N 3.05Å
373	A	95.1	Very high	97.6	Very high	39 Å²	39	41.8 Å²	41.8	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-58.5	-34.3	-179.3	0	0	0	0	0	114.2	A375 V376 E377	A373-A375 VanDerWaalsContact C-N 3.29Å; A373-A375 PolarHBondContact O-N 3.16Å; A373-V376 WeakPolarHBondContact O-CB 3.43Å; A373-V376 PolarHBondContact O-N 3.12Å; A373-E377 WeakPolarHBondContact O-CG 3.41Å; A373-E377 PolarHBondContact O-N 3.31Å
374	R	95.9	Very high	97.8	Very high	168 Å²	168	40.7 Å²	40.7	63%	0.634	21%	0.212	S	C	*	.	H	α-helix	trans	-65.9	-34.4	178.3	-64.8	-178.3	-179.7	178.1	-1.7	111.8	N372 E377 K378	N372-R374 VanDerWaalsContact C-N 3.29Å; N372-R374 PolarHBondContact O-N 3.3Å; N372-R374 WeakPolarHBondContact OD1-CB 3.36Å; N372-R374 PolarHBondContact OD1-N 3.23Å; N372-R374 VanDerWaalsContact OD1-N 3.16Å; R374-E377 PolarHBondContact O-N 2.76Å; R374-K378 PolarHBondContact O-N 3.1Å; R374-K378 VanDerWaalsContact O-N 3.08Å
375	A	97.4	Very high	97.9	Very high	19 Å²	19	38.3 Å²	38.3	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-42.1	174	0	0	0	0	0	111	L370 I371 N372 A373 K378 V379	L370-A375 HydrophobicContact CB-CB 3.94Å; L370-A375 HydrophobicContact CD1-CB 4.13Å; I371-A375 HydrophobicContact CG2-CB 4.29Å; N372-A375 WeakPolarHBondContact O-CB 3.5Å; N372-A375 PolarHBondContact O-N 3.29Å; N372-A375 VanDerWaalsContact O-N 3.11Å; N372-A375 PolarHBondContact OD1-N 2.94Å; N372-A375 VanDerWaalsContact OD1-N 3.16Å; A373-A375 VanDerWaalsContact C-N 3.29Å; A373-A375 PolarHBondContact O-N 3.16Å; A375-K378 PolarHBondContact O-N 3.37Å; A375-V379 WeakPolarHBondContact O-CG2 3.35Å; A375-V379 PolarHBondContact O-N 3.23Å
376	V	97.7	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-48.2	174.6	-177.7	0	0	0	0	111.5	L370 N372 A373 K378 V379 V380 R399 S403 M405	L370-V376 HydrophobicContact CB-CG2 4.13Å; L370-V376 HydrophobicContact CD1-CB 4.4Å; L370-V376 HydrophobicContact CD1-CG2 3.92Å; L370-V376 HydrophobicContact CG-CG2 4.4Å; N372-V376 PolarHBondContact O-N 3.05Å; A373-V376 WeakPolarHBondContact O-CB 3.43Å; A373-V376 PolarHBondContact O-N 3.12Å; V376-K378 PolarHBondContact O-N 2.82Å; V376-V379 PolarHBondContact O-N 3.45Å; V376-V379 VanDerWaalsContact O-N 3.11Å; V376-V380 HydrophobicContact CG1-CG2 4.3Å; V376-V380 WeakPolarHBondContact O-CG2 3.32Å; V376-V380 PolarHBondContact O-N 3.23Å; V376-R399 HydrophobicContact CG1-CB 4.15Å; V376-R399 HydrophobicContact CG1-CG 3.65Å; V376-S403 WeakPolarHBondContact CG2-O 3.21Å; V376-M405 HydrophobicContact CG1-SD 4.38Å
377	E	97.6	Very high	97.9	Very high	103 Å²	103	38.6 Å²	38.6	48%	0.481	19%	0.192	S	C	.	.	H	α-helix	trans	-56.1	-40.8	178.6	-73.2	161.5	-169.6	0	0	111.8	A373 R374 V380 H381	A373-E377 WeakPolarHBondContact O-CG 3.41Å; A373-E377 PolarHBondContact O-N 3.31Å; R374-E377 PolarHBondContact O-N 2.76Å; E377-V380 PolarHBondContact O-N 3.41Å; E377-H381 WeakPolarHBondContact O-CB 3.5Å; E377-H381 PolarHBondContact O-N 2.89Å
378	K	98.1	Very high	97.9	Very high	79 Å²	79	42.9 Å²	42.9	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-44.4	175.9	-175.1	171.8	-178.3	175.1	0	112.6	R374 A375 V376 H381 H382 E423	R374-K378 PolarHBondContact O-N 3.1Å; R374-K378 VanDerWaalsContact O-N 3.08Å; A375-K378 PolarHBondContact O-N 3.37Å; V376-K378 PolarHBondContact O-N 2.82Å; K378-H381 PolarHBondContact O-N 3.17Å; K378-H382 WeakPolarHBondContact CE-NE2 3.42Å; K378-H382 PolarHBondContact O-CD2 2.92Å; K378-H382 PolarHBondContact O-N 3.34Å; K378-E423 WeakPolarHBondContact CE-O 3.39Å; K378-E423 PolarHBondContact NZ-O 3.36Å
379	V	98.4	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-44.5	178.5	179.3	0	0	0	0	110.9	L370 A375 V376 H381 H382 I383 M405 T424 L428	L370-V379 HydrophobicContact CD1-CG2 3.83Å; A375-V379 WeakPolarHBondContact O-CG2 3.35Å; A375-V379 PolarHBondContact O-N 3.23Å; V376-V379 PolarHBondContact O-N 3.45Å; V376-V379 VanDerWaalsContact O-N 3.11Å; V379-H381 VanDerWaalsContact C-N 3.34Å; V379-H381 PolarHBondContact O-N 3.14Å; V379-H382 PolarHBondContact O-N 2.94Å; V379-I383 HydrophobicContact CG1-CD1 3.84Å; V379-I383 WeakPolarHBondContact O-CG1 3.49Å; V379-I383 PolarHBondContact O-N 3Å; V379-M405 HydrophobicContact CB-CG 4.36Å; V379-M405 HydrophobicContact CG1-CE 4.08Å; V379-M405 HydrophobicContact CG1-CG 3.84Å; V379-M405 HydrophobicContact CG1-SD 4.26Å; V379-T424 HydrophobicContact CB-CG2 4.48Å; V379-T424 HydrophobicContact CG2-CG2 3.88Å; V379-L428 HydrophobicContact CG1-CB 4.41Å
380	V	98.3	Very high	98	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-48.1	175.9	171.3	0	0	0	0	110.4	V376 E377 H382 I383 E384 R399 M405	V376-V380 HydrophobicContact CG1-CG2 4.3Å; V376-V380 WeakPolarHBondContact O-CG2 3.32Å; V376-V380 PolarHBondContact O-N 3.23Å; E377-V380 PolarHBondContact O-N 3.41Å; V380-H382 VanDerWaalsContact C-N 3.33Å; V380-H382 PolarHBondContact O-N 2.82Å; V380-I383 PolarHBondContact O-N 3.42Å; V380-I383 VanDerWaalsContact O-N 3.11Å; V380-E384 HydrophobicContact CG1-CG 4.25Å; V380-E384 WeakPolarHBondContact CG1-OE1 3.5Å; V380-E384 WeakPolarHBondContact O-CG 3.41Å; V380-E384 PolarHBondContact O-N 2.85Å; V380-R399 HydrophobicContact CG2-CB 4.04Å; V380-M405 HydrophobicContact CG2-CE 4.49Å; V380-M405 HydrophobicContact CG2-SD 4.04Å
381	H	98.4	Very high	98	Very high	97 Å²	97	51 Å²	51	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-42.9	178.8	-177.5	54.6	0	0	0	112.8	E377 K378 V379 I383 E384 D385 L418	E377-H381 WeakPolarHBondContact O-CB 3.5Å; E377-H381 PolarHBondContact O-N 2.89Å; K378-H381 PolarHBondContact O-N 3.17Å; V379-H381 VanDerWaalsContact C-N 3.34Å; V379-H381 PolarHBondContact O-N 3.14Å; H381-I383 VanDerWaalsContact C-N 3.33Å; H381-I383 PolarHBondContact O-N 2.85Å; H381-E384 PolarHBondContact O-N 3.31Å; H381-D385 WeakPolarHBondContact O-CB 3.32Å; H381-D385 PolarHBondContact O-N 3.01Å; H381-L418 WeakPolarHBondContact NE2-CD1 3.04Å
382	H	98.6	Very high	98	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-36.3	176.6	-79.5	-156.1	0	0	0	112.9	K378 V379 V380 A386 C419 E422 T424 L428	K378-H382 WeakPolarHBondContact CE-NE2 3.42Å; K378-H382 PolarHBondContact O-CD2 2.92Å; K378-H382 PolarHBondContact O-N 3.34Å; V379-H382 PolarHBondContact O-N 2.94Å; V380-H382 VanDerWaalsContact C-N 3.33Å; V380-H382 PolarHBondContact O-N 2.82Å; H382-A386 WeakPolarHBondContact O-CB 3.23Å; H382-A386 PolarHBondContact O-N 3.1Å; H382-C419 HydrophobicContact CB-CB 4.15Å; H382-E422 IonicContact NE2-OE2 3.17Å; H382-T424 PolarHBondContact ND1-OG1 2.98Å; H382-L428 HydrophobicContact CB-CD2 3.91Å
383	I	98.7	Very high	98.1	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-47.1	176.6	-68.3	161.8	0	0	0	110.2	V379 V380 H381 A386 V387 V393 M405 T408 L428	V379-I383 HydrophobicContact CG1-CD1 3.84Å; V379-I383 WeakPolarHBondContact O-CG1 3.49Å; V379-I383 PolarHBondContact O-N 3Å; V380-I383 PolarHBondContact O-N 3.42Å; V380-I383 VanDerWaalsContact O-N 3.11Å; H381-I383 VanDerWaalsContact C-N 3.33Å; H381-I383 PolarHBondContact O-N 2.85Å; I383-A386 PolarHBondContact O-N 3.49Å; I383-V387 HydrophobicContact CG2-CG2 4.33Å; I383-V387 WeakPolarHBondContact O-CB 3.1Å; I383-V387 VanDerWaalsContact O-CG2 3.3Å; I383-V387 WeakPolarHBondContact O-CG2 3.45Å; I383-V387 PolarHBondContact O-N 3.37Å; I383-V393 HydrophobicContact CG2-CG2 4.43Å; I383-M405 HydrophobicContact CD1-CE 3.32Å; I383-T408 HydrophobicContact CD1-CG2 3.89Å; I383-T408 HydrophobicContact CG1-CG2 4.15Å; I383-L428 HydrophobicContact CD1-CD1 4.15Å; I383-L428 HydrophobicContact CG1-CD1 3.64Å; I383-L428 HydrophobicContact CG1-CD2 4.1Å; I383-L428 HydrophobicContact CG1-CG 4.48Å
384	E	98.5	Very high	98.2	Very high	119 Å²	119	59.1 Å²	59.1	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-61	-45.7	179.6	-72.1	175.2	167.6	0	0	111.8	V380 H381 V387 S388	V380-E384 HydrophobicContact CG1-CG 4.25Å; V380-E384 WeakPolarHBondContact CG1-OE1 3.5Å; V380-E384 WeakPolarHBondContact O-CG 3.41Å; V380-E384 PolarHBondContact O-N 2.85Å; H381-E384 PolarHBondContact O-N 3.31Å; E384-V387 PolarHBondContact O-N 3.18Å; E384-S388 VanDerWaalsContact O-CB 3.3Å; E384-S388 WeakPolarHBondContact O-CB 3.34Å; E384-S388 PolarHBondContact O-N 2.98Å; E384-S388 PolarHBondContact O-OG 3.48Å
385	D	98.8	Very high	98.4	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-50.5	175.4	173.7	78.2	0	0	0	111.2	H381 V387 S388 R389 L418	H381-D385 WeakPolarHBondContact O-CB 3.32Å; H381-D385 PolarHBondContact O-N 3.01Å; D385-V387 PolarHBondContact O-N 3.35Å; D385-S388 PolarHBondContact O-N 3.01Å; D385-S388 PolarHBondContact O-OG 3.45Å; D385-R389 WeakPolarHBondContact O-CG 3.44Å; D385-R389 PolarHBondContact O-N 3.44Å; D385-R389 IonicContact OD1-CZ 3.12Å; D385-R389 IonicContact OD1-NE 3.46Å; D385-R389 PolarHBondContact OD1-NE 2.99Å; D385-R389 IonicContact OD1-NH2 3.21Å; D385-R389 PolarHBondContact OD1-NH2 3.44Å; D385-R389 IonicContact OD2-NE 3.45Å; D385-R389 PolarHBondContact OD2-NE 3.42Å; D385-L418 HydrophobicContact CB-CB 4.38Å; D385-L418 HydrophobicContact CB-CD1 3.86Å; D385-L418 HydrophobicContact CB-CG 4.21Å; D385-L418 WeakPolarHBondContact OD2-CB 3.17Å; D385-L418 WeakPolarHBondContact OD2-CG 3.46Å; D385-L418 PolarHBondContact OD2-N 2.75Å
386	A	98.7	Very high	98.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-44.9	-179.6	0	0	0	0	0	112.1	H382 I383 R389 G390 A391 L410 M417	H382-A386 WeakPolarHBondContact O-CB 3.23Å; H382-A386 PolarHBondContact O-N 3.1Å; I383-A386 PolarHBondContact O-N 3.49Å; A386-R389 CarbonylContact O-C 3.49Å; A386-R389 PolarHBondContact O-N 3.43Å; A386-G390 PolarHBondContact O-N 2.81Å; A386-A391 HydrophobicContact CB-CB 3.89Å; A386-A391 WeakPolarHBondContact O-CB 3.41Å; A386-A391 PolarHBondContact O-N 3.37Å; A386-L410 HydrophobicContact CB-CD1 3.79Å; A386-M417 HydrophobicContact CB-CB 4.42Å; A386-M417 HydrophobicContact CB-CG 4.46Å; A386-M417 HydrophobicContact CB-SD 3.74Å; A386-M417 WeakPolarHBondContact O-CE 3.48Å
387	V	98.6	Very high	98.2	Very high	65 Å²	65	57.5 Å²	57.5	39%	0.394	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-40.5	178.7	171.9	0	0	0	0	111.3	I383 E384 D385 R389 G390 V393	I383-V387 HydrophobicContact CG2-CG2 4.33Å; I383-V387 WeakPolarHBondContact O-CB 3.1Å; I383-V387 VanDerWaalsContact O-CG2 3.3Å; I383-V387 WeakPolarHBondContact O-CG2 3.45Å; I383-V387 PolarHBondContact O-N 3.37Å; E384-V387 PolarHBondContact O-N 3.18Å; D385-V387 PolarHBondContact O-N 3.35Å; V387-R389 PolarHBondContact O-N 2.95Å; V387-R389 VanDerWaalsContact O-N 3.14Å; V387-G390 PolarHBondContact O-N 2.91Å; V387-V393 HydrophobicContact CG2-CG2 3.66Å
388	S	98.4	Very high	98.2	Very high	93 Å²	93	59 Å²	59	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-21.8	176.9	78.2	0	0	0	0	113.2	E384 D385	E384-S388 VanDerWaalsContact O-CB 3.3Å; E384-S388 WeakPolarHBondContact O-CB 3.34Å; E384-S388 PolarHBondContact O-N 2.98Å; E384-S388 PolarHBondContact O-OG 3.48Å; D385-S388 PolarHBondContact O-N 3.01Å; D385-S388 PolarHBondContact O-OG 3.45Å
389	R	98.5	Very high	98.1	Very high	118 Å²	118	60.9 Å²	60.9	45%	0.445	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8	178.3	-65.4	170.5	-175.2	-110.5	5.9	113.7	D385 A386 V387 D416 M417	D385-R389 WeakPolarHBondContact O-CG 3.44Å; D385-R389 PolarHBondContact O-N 3.44Å; D385-R389 IonicContact OD1-CZ 3.12Å; D385-R389 IonicContact OD1-NE 3.46Å; D385-R389 PolarHBondContact OD1-NE 2.99Å; D385-R389 IonicContact OD1-NH2 3.21Å; D385-R389 PolarHBondContact OD1-NH2 3.44Å; D385-R389 IonicContact OD2-NE 3.45Å; D385-R389 PolarHBondContact OD2-NE 3.42Å; A386-R389 CarbonylContact O-C 3.49Å; A386-R389 PolarHBondContact O-N 3.43Å; V387-R389 PolarHBondContact O-N 2.95Å; V387-R389 VanDerWaalsContact O-N 3.14Å; R389-D416 PolarHBondContact NH1-O 2.94Å; R389-D416 VanDerWaalsContact NH1-O 3.12Å; R389-D416 IonicContact NH1-OD2 2.84Å; R389-D416 PolarHBondContact NH1-OD2 2.79Å; R389-D416 VanDerWaalsContact NH1-OD2 3.12Å; R389-M417 HydrophobicContact CB-CE 3.81Å; R389-M417 HydrophobicContact CB-CG 4.11Å
390	G	98.3	Very high	98	Very high	54 Å²	54	64 Å²	64	56%	0.557	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	2.3	172.4	0	0	0	0	0	116	A386 V387	A386-G390 PolarHBondContact O-N 2.81Å; V387-G390 PolarHBondContact O-N 2.91Å
391	A	98.6	Very high	97.6	Very high	6 Å²	6	69.7 Å²	69.7	5%	0.05	36%	0.361	C	S	.	.			trans	-65.4	152.5	169	0	0	0	0	0	110.9	A386 A411 V413 M417	A386-A391 HydrophobicContact CB-CB 3.89Å; A386-A391 WeakPolarHBondContact O-CB 3.41Å; A386-A391 PolarHBondContact O-N 3.37Å; A391-A411 WeakPolarHBondContact CA-O 3.26Å; A391-V413 HydrophobicContact CB-CG2 4.1Å; A391-M417 HydrophobicContact CB-CE 3.85Å; A391-M417 HydrophobicContact CB-SD 3.87Å
392	R	98.5	Very high	97.3	Very high	143 Å²	143	67.5 Å²	67.5	54%	0.54	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	178.5	-61.9	-176.6	-63.2	147.9	2.3	110.4	L394 L410 A411	R392-L394 PolarHBondContact O-N 2.95Å; R392-L410 WeakPolarHBondContact O-CA 3.41Å; R392-A411 PolarHBondContact N-O 2.93Å; R392-A411 PolarHBondContact O-N 3Å
393	V	98.7	Very high	97.2	Very high	63 Å²	63	68.3 Å²	68.3	38%	0.382	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.5	170.3	-172.9	0	0	0	0	109	I383 V387 R395 G396 T408 L410	I383-V393 HydrophobicContact CG2-CG2 4.43Å; V387-V393 HydrophobicContact CG2-CG2 3.66Å; V393-R395 WeakPolarHBondContact CG1-O 3.39Å; V393-G396 WeakPolarHBondContact CG1-O 3.16Å; V393-T408 HydrophobicContact CG1-CG2 4.34Å; V393-L410 HydrophobicContact CB-CD2 4.16Å; V393-L410 HydrophobicContact CG1-CD2 4.39Å; V393-L410 HydrophobicContact CG2-CD2 3.7Å
394	L	98.5	Very high	97.2	Very high	54 Å²	54	69.2 Å²	69.2	28%	0.283	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-31.7	176.5	-61.1	-171.1	0	0	0	112.7	L344 R392 L409 A411	L344-L394 HydrophobicContact CB-CD1 4.32Å; L344-L394 HydrophobicContact CD1-CD1 3.97Å; L344-L394 HydrophobicContact CD2-CD1 4.23Å; L344-L394 HydrophobicContact CG-CD1 4.43Å; R392-L394 PolarHBondContact O-N 2.95Å; L394-L409 HydrophobicContact CB-CB 4.48Å; L394-L409 HydrophobicContact CB-CD2 4.31Å; L394-L409 HydrophobicContact CB-CG 4.25Å; L394-L409 HydrophobicContact CD1-CD2 4.29Å; L394-L409 HydrophobicContact CD1-CG 4.39Å; L394-L409 PolarHBondContact N-O 2.94Å; L394-A411 HydrophobicContact CD1-CB 3.63Å; L394-A411 HydrophobicContact CD2-CB 4.3Å; L394-A411 HydrophobicContact CG-CB 3.91Å
395	R	98.3	Very high	97.1	Very high	97 Å²	97	63.7 Å²	63.7	37%	0.366	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151.2	177.6	-67.3	-62.3	-174.1	-80.6	-3.1	110.1	M351 D352 V393 T408 L409	M351-R395 HydrophobicContact CE-CB 4.16Å; D352-R395 WeakPolarHBondContact OD1-CD 3.38Å; D352-R395 IonicContact OD1-NE 3.79Å; D352-R395 PolarHBondContact OD1-NE 3.32Å; D352-R395 IonicContact OD2-CZ 2.88Å; D352-R395 IonicContact OD2-NE 2.64Å; D352-R395 PolarHBondContact OD2-NE 3.48Å; D352-R395 IonicContact OD2-NH2 3Å; D352-R395 PolarHBondContact OD2-NH2 3.47Å; D352-R395 VanDerWaalsContact OD2-NH2 3.17Å; V393-R395 WeakPolarHBondContact CG1-O 3.39Å; R395-T408 WeakPolarHBondContact O-CA 3.38Å; R395-L409 HydrophobicContact CB-CB 4.2Å; R395-L409 PolarHBondContact O-N 3.47Å; R395-L409 VanDerWaalsContact O-N 3.1Å
396	G	97.8	Very high	97.1	Very high	31 Å²	31	65.2 Å²	65.2	32%	0.32	36%	0.355	S	S	.	.			trans	64.7	-138	176	0	0	0	0	0	113.8	V393 E406 P407	V393-G396 WeakPolarHBondContact CG1-O 3.16Å; G396-E406 VanDerWaalsContact C-OE2 3.23Å; G396-E406 VanDerWaalsContact CA-OE2 3.28Å; G396-E406 WeakPolarHBondContact CA-OE2 3.32Å; G396-P407 WeakPolarHBondContact CA-O 3.24Å
397	G	94.8	Very high	97.1	Very high	24 Å²	24	66 Å²	66	25%	0.247	36%	0.36	C	S	.	.			trans	98.8	-4	175.3	0	0	0	0	0	114.7	T408	G397-T408 VanDerWaalsContact CA-OG1 3.29Å; G397-T408 WeakPolarHBondContact CA-OG1 3.41Å; G397-T408 PolarHBondContact N-OG1 3.26Å
398	K	96.1	Very high	97.1	Very high	135 Å²	135	62.9 Å²	62.9	59%	0.587	34%	0.341	S	S	*	.			trans	-104.2	138.7	-177.9	-57	174.6	-176.3	170.6	0	112.5	E406	K398-E406 HydrophobicContact CB-CG 4.33Å; K398-E406 WeakPolarHBondContact CB-OE2 3.32Å; K398-E406 PolarHBondContact N-OE2 2.9Å; K398-E406 WeakPolarHBondContact O-CB 3.49Å; K398-E406 PolarHBondContact O-N 2.93Å
399	R	96.5	Very high	97.1	Very high	118 Å²	118	58.5 Å²	58.5	45%	0.445	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-70.5	138.8	160.4	172.4	171.7	-173.5	171.6	4.2	109.4	V376 V380 M405	V376-R399 HydrophobicContact CG1-CB 4.15Å; V376-R399 HydrophobicContact CG1-CG 3.65Å; V380-R399 HydrophobicContact CG2-CB 4.04Å; R399-M405 HydrophobicContact CB-SD 4.32Å
400	L	95.4	Very high	97.1	Very high	65 Å²	65	52.9 Å²	52.9	34%	0.34	29%	0.289	S	S	.	.			trans	-111.7	-177	172.8	-56.2	179.6	0	0	0	110.1	L357 F404 E406	L357-L400 HydrophobicContact CD1-CD1 3.73Å; L400-F404 HydrophobicContact CB-CB 3.82Å; L400-F404 HydrophobicContact CD1-CB 4.38Å; L400-F404 PolarHBondContact N-O 3.14Å; L400-E406 HydrophobicContact CD1-CG 4.17Å; L400-E406 HydrophobicContact CD2-CG 4.31Å; L400-E406 HydrophobicContact CG-CG 4.23Å
401	D	91.7	Very high	97.2	Very high	153 Å²	153	50.3 Å²	50.3	82%	0.818	26%	0.263	S	S	*	.	S	Bend	trans	-59.9	147.2	179.3	-72.8	-16.8	0	0	0	112.2	S403 F404	D401-S403 PolarHBondContact O-N 2.72Å; D401-F404 WeakPolarHBondContact O-CD2 3.4Å; D401-F404 PolarHBondContact O-N 3.11Å
402	G	92.2	Very high	97.1	Very high	52 Å²	52	51.9 Å²	51.9	54%	0.536	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-128.3	-179	0	0	0	0	0	112.5
403	S	95.6	Very high	97.1	Very high	16 Å²	16	45.3 Å²	45.3	11%	0.112	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	17.2	-178.9	-54.3	0	0	0	0	113.2	L370 V376 D401	L370-S403 WeakPolarHBondContact CB-O 3.25Å; L370-S403 PolarHBondContact N-O 2.88Å; L370-S403 WeakPolarHBondContact O-CB 3.41Å; V376-S403 WeakPolarHBondContact CG2-O 3.21Å; D401-S403 PolarHBondContact O-N 2.72Å
404	F	97.9	Very high	97.1	Very high	30 Å²	30	45 Å²	45	13%	0.132	25%	0.253	C	S	.	.			trans	-85.1	141.7	179.7	-74.5	-82.6	0	0	0	112.8	A69 L357 G358 P369 L400 D401	A69-F404 HydrophobicContact CB-CE2 4.2Å; A69-F404 HydrophobicContact CB-CZ 3.96Å; A69-F404 WeakPolarHBondContact O-CE2 3.3Å; L357-F404 HydrophobicContact CD2-CD1 4.09Å; G358-F404 WeakPolarHBondContact O-CE1 3.44Å; P369-F404 HydrophobicContact CB-CD1 4.09Å; P369-F404 HydrophobicContact CB-CD2 4.26Å; P369-F404 HydrophobicContact CB-CE1 3.95Å; P369-F404 HydrophobicContact CB-CE2 4.11Å; P369-F404 HydrophobicContact CB-CG 4.25Å; P369-F404 HydrophobicContact CB-CZ 3.95Å; P369-F404 HydrophobicContact CG-CE1 4.49Å; P369-F404 HydrophobicContact CG-CZ 4.34Å; L400-F404 HydrophobicContact CB-CB 3.82Å; L400-F404 HydrophobicContact CD1-CB 4.38Å; L400-F404 PolarHBondContact N-O 3.14Å; D401-F404 WeakPolarHBondContact O-CD2 3.4Å; D401-F404 PolarHBondContact O-N 3.11Å
405	M	98	Very high	97	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.02	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-136.1	133.5	177.5	-175.9	67.2	-157.4	0	0	109.4	L370 V376 V379 V380 I383 R399 P427	L370-M405 HydrophobicContact CD1-CB 4.13Å; L370-M405 HydrophobicContact CG-CB 4.5Å; V376-M405 HydrophobicContact CG1-SD 4.38Å; V379-M405 HydrophobicContact CB-CG 4.36Å; V379-M405 HydrophobicContact CG1-CE 4.08Å; V379-M405 HydrophobicContact CG1-CG 3.84Å; V379-M405 HydrophobicContact CG1-SD 4.26Å; V380-M405 HydrophobicContact CG2-CE 4.49Å; V380-M405 HydrophobicContact CG2-SD 4.04Å; I383-M405 HydrophobicContact CD1-CE 3.32Å; R399-M405 HydrophobicContact CB-SD 4.32Å; M405-P427 HydrophobicContact CB-CG 4.32Å; M405-P427 HydrophobicContact CG-CG 4.31Å
406	E	98.2	Very high	97	Very high	49 Å²	49	45.1 Å²	45.1	23%	0.229	26%	0.264	C	S	.	.			trans	-63.8	132.3	174.3	-73	-178.4	163.7	0	0	111.2	L357 G396 K398 L400 T408	L357-E406 HydrophobicContact CD1-CG 4.48Å; G396-E406 VanDerWaalsContact C-OE2 3.23Å; G396-E406 VanDerWaalsContact CA-OE2 3.28Å; G396-E406 WeakPolarHBondContact CA-OE2 3.32Å; K398-E406 HydrophobicContact CB-CG 4.33Å; K398-E406 WeakPolarHBondContact CB-OE2 3.32Å; K398-E406 PolarHBondContact N-OE2 2.9Å; K398-E406 WeakPolarHBondContact O-CB 3.49Å; K398-E406 PolarHBondContact O-N 2.93Å; L400-E406 HydrophobicContact CD1-CG 4.17Å; L400-E406 HydrophobicContact CD2-CG 4.31Å; L400-E406 HydrophobicContact CG-CG 4.23Å; E406-T408 PolarHBondContact O-N 3.06Å; E406-T408 PolarHBondContact O-OG1 3.45Å
407	P	98.5	Very high	97	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.104	25%	0.249	C	C	.	.			trans	-53.6	121.5	166.6	-27.4	36.1	0	0	0	111.3	F320 M351 L355 Q367 G396 P427	F320-P407 HydrophobicContact CD1-CB 4.14Å; F320-P407 HydrophobicContact CE1-CB 3.71Å; F320-P407 HydrophobicContact CZ-CB 4.45Å; M351-P407 HydrophobicContact CE-CB 4.02Å; L355-P407 HydrophobicContact CB-CG 4.28Å; L355-P407 HydrophobicContact CD1-CB 3.5Å; L355-P407 VanDerWaalsContact CD1-CB 3.5Å; L355-P407 HydrophobicContact CD1-CG 3.77Å; Q367-P407 HydrophobicContact CG-CG 4.03Å; G396-P407 WeakPolarHBondContact CA-O 3.24Å; P407-P427 CarbonylContact C-O 3.44Å; P407-P427 WeakPolarHBondContact CA-O 3.16Å; P407-P427 HydrophobicContact CB-CB 4.34Å; P407-P427 HydrophobicContact CG-CB 4.43Å
408	T	98.8	Very high	97.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.7	-166.1	-57.4	0	0	0	0	111	I383 V393 R395 G397 E406 L410 P427 L428 V429	I383-T408 HydrophobicContact CD1-CG2 3.89Å; I383-T408 HydrophobicContact CG1-CG2 4.15Å; V393-T408 HydrophobicContact CG1-CG2 4.34Å; R395-T408 WeakPolarHBondContact O-CA 3.38Å; G397-T408 VanDerWaalsContact CA-OG1 3.29Å; G397-T408 WeakPolarHBondContact CA-OG1 3.41Å; G397-T408 PolarHBondContact N-OG1 3.26Å; E406-T408 PolarHBondContact O-N 3.06Å; E406-T408 PolarHBondContact O-OG1 3.45Å; T408-L410 HydrophobicContact CG2-CD2 3.77Å; T408-L410 HydrophobicContact CG2-CG 4.25Å; T408-P427 PolarHBondContact N-O 2.94Å; T408-L428 HydrophobicContact CG2-CD1 3.63Å; T408-L428 CarbonylContact O-C 3.44Å; T408-V429 PolarHBondContact O-N 3.27Å
409	L	98.8	Very high	97.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.7	174.3	178.1	60.5	0	0	0	109.8	L344 L347 M351 L394 R395 V429 V431	L344-L409 HydrophobicContact CD2-CD1 4.07Å; L344-L409 HydrophobicContact CD2-CD2 4.35Å; L344-L409 HydrophobicContact CD2-CG 4.43Å; L347-L409 HydrophobicContact CD2-CD1 3.94Å; M351-L409 HydrophobicContact CE-CB 4.02Å; M351-L409 HydrophobicContact SD-CB 3.86Å; M351-L409 HydrophobicContact SD-CD2 4.22Å; L394-L409 HydrophobicContact CB-CB 4.48Å; L394-L409 HydrophobicContact CB-CD2 4.31Å; L394-L409 HydrophobicContact CB-CG 4.25Å; L394-L409 HydrophobicContact CD1-CD2 4.29Å; L394-L409 HydrophobicContact CD1-CG 4.39Å; L394-L409 PolarHBondContact N-O 2.94Å; R395-L409 HydrophobicContact CB-CB 4.2Å; R395-L409 PolarHBondContact O-N 3.47Å; R395-L409 VanDerWaalsContact O-N 3.1Å; L409-V429 HydrophobicContact CD1-CB 3.7Å; L409-V429 HydrophobicContact CD1-CG1 3.44Å; L409-V429 VanDerWaalsContact CD1-CG1 3.44Å; L409-V431 HydrophobicContact CD1-CG2 3.76Å
410	L	98.8	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.9	177.3	-54.3	-175.7	0	0	0	111	A386 R392 V393 T408 V413 L428 V429 V431	A386-L410 HydrophobicContact CB-CD1 3.79Å; R392-L410 WeakPolarHBondContact O-CA 3.41Å; V393-L410 HydrophobicContact CB-CD2 4.16Å; V393-L410 HydrophobicContact CG1-CD2 4.39Å; V393-L410 HydrophobicContact CG2-CD2 3.7Å; T408-L410 HydrophobicContact CG2-CD2 3.77Å; T408-L410 HydrophobicContact CG2-CG 4.25Å; L410-V413 HydrophobicContact CB-CG2 3.78Å; L410-L428 HydrophobicContact CD1-CD1 3.78Å; L410-L428 HydrophobicContact CG-CD1 3.8Å; L410-V429 PolarHBondContact N-O 3Å; L410-V431 WeakPolarHBondContact O-CB 3.36Å; L410-V431 WeakPolarHBondContact O-CG2 3.46Å; L410-V431 PolarHBondContact O-N 2.78Å
411	A	98.6	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	159.2	171.3	0	0	0	0	0	111.5	L344 A391 R392 L394 V413	L344-A411 HydrophobicContact CD1-CB 3.76Å; A391-A411 WeakPolarHBondContact CA-O 3.26Å; R392-A411 PolarHBondContact N-O 2.93Å; R392-A411 PolarHBondContact O-N 3Å; L394-A411 HydrophobicContact CD1-CB 3.63Å; L394-A411 HydrophobicContact CD2-CB 4.3Å; L394-A411 HydrophobicContact CG-CB 3.91Å; A411-V413 VanDerWaalsContact C-N 3.32Å
412	G	97.6	Very high	97.1	Very high	38 Å²	38	31.9 Å²	31.9	39%	0.392	19%	0.19	S	C	.	.	S	Bend	trans	68.5	30.9	-176.7	0	0	0	0	0	113.1	Y340	Y340-G412 PolarHBondContact OH-N 2.93Å; Y340-G412 VanDerWaalsContact OH-N 3.09Å
413	V	98.6	Very high	97.2	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.03	17%	0.173	C	C	.	.			trans	-77.7	142.1	176	177.4	0	0	0	0	110.1	A391 L410 A411 M417 T420 P430 V431 I432	A391-V413 HydrophobicContact CB-CG2 4.1Å; L410-V413 HydrophobicContact CB-CG2 3.78Å; A411-V413 VanDerWaalsContact C-N 3.32Å; V413-M417 HydrophobicContact CB-SD 4.1Å; V413-M417 HydrophobicContact CG1-CB 4.41Å; V413-M417 HydrophobicContact CG1-SD 3.72Å; V413-M417 HydrophobicContact CG2-SD 4.27Å; V413-T420 HydrophobicContact CG1-CG2 3.48Å; V413-T420 VanDerWaalsContact CG1-CG2 3.48Å; V413-P430 HydrophobicContact CB-CB 4.28Å; V413-P430 HydrophobicContact CG1-CB 3.98Å; V413-P430 HydrophobicContact CG2-CB 3.83Å; V413-V431 PolarHBondContact N-O 2.9Å; V413-I432 HydrophobicContact CB-CG1 4.14Å; V413-I432 HydrophobicContact CG1-CG1 3.96Å; V413-I432 WeakPolarHBondContact O-CA 3.41Å
414	T	98.2	Very high	97.1	Very high	57 Å²	57	30.6 Å²	30.6	35%	0.35	17%	0.168	S	C	.	.			trans	-120.6	166.2	177.2	56.1	0	0	0	0	110.9	D416 M417 T420	T414-D416 WeakPolarHBondContact CB-OD1 3.44Å; T414-D416 PolarHBondContact O-N 3.37Å; T414-D416 PolarHBondContact OG1-OD1 2.94Å; T414-M417 PolarHBondContact O-N 2.96Å; T414-M417 WeakPolarHBondContact OG1-CE 3.28Å; T414-T420 WeakPolarHBondContact O-CG2 3.4Å; T414-T420 PolarHBondContact O-OG1 3.31Å
415	T	97.1	Very high	97	Very high	81 Å²	81	31.2 Å²	31.2	50%	0.497	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.3	-176.5	51.3	0	0	0	0	114.6	T420 Q421 I432 V443	T415-T420 VanDerWaalsContact C-OG1 3.28Å; T415-T420 WeakPolarHBondContact CA-OG1 3.22Å; T415-T420 PolarHBondContact O-OG1 3.09Å; T415-T420 VanDerWaalsContact O-OG1 3.04Å; T415-Q421 PolarHBondContact O-NE2 2.86Å; T415-I432 HydrophobicContact CG2-CD1 4.49Å; T415-V443 HydrophobicContact CG2-CG1 3.72Å; T415-V443 HydrophobicContact CG2-CG2 4.16Å
416	D	97	Very high	96.9	Very high	72 Å²	72	31 Å²	31	39%	0.385	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.6	175.6	68.6	-72.8	0	0	0	113.7	R389 T414 Q421	R389-D416 PolarHBondContact NH1-O 2.94Å; R389-D416 VanDerWaalsContact NH1-O 3.12Å; R389-D416 IonicContact NH1-OD2 2.84Å; R389-D416 PolarHBondContact NH1-OD2 2.79Å; R389-D416 VanDerWaalsContact NH1-OD2 3.12Å; T414-D416 WeakPolarHBondContact CB-OD1 3.44Å; T414-D416 PolarHBondContact O-N 3.37Å; T414-D416 PolarHBondContact OG1-OD1 2.94Å; D416-Q421 VanDerWaalsContact C-NE2 3.27Å; D416-Q421 PolarHBondContact O-NE2 2.79Å; D416-Q421 VanDerWaalsContact O-NE2 3.09Å
417	M	98.4	Very high	96.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.16	C	C	.	.	S	Bend	trans	-81.9	142	177.5	-60.4	178.7	-178.8	0	0	111.3	A386 R389 A391 V413 T414 C419 T420	A386-M417 HydrophobicContact CB-CB 4.42Å; A386-M417 HydrophobicContact CB-CG 4.46Å; A386-M417 HydrophobicContact CB-SD 3.74Å; A386-M417 WeakPolarHBondContact O-CE 3.48Å; R389-M417 HydrophobicContact CB-CE 3.81Å; R389-M417 HydrophobicContact CB-CG 4.11Å; A391-M417 HydrophobicContact CB-CE 3.85Å; A391-M417 HydrophobicContact CB-SD 3.87Å; V413-M417 HydrophobicContact CB-SD 4.1Å; V413-M417 HydrophobicContact CG1-CB 4.41Å; V413-M417 HydrophobicContact CG1-SD 3.72Å; V413-M417 HydrophobicContact CG2-SD 4.27Å; T414-M417 PolarHBondContact O-N 2.96Å; T414-M417 WeakPolarHBondContact OG1-CE 3.28Å; M417-C419 VanDerWaalsContact C-N 3.27Å; M417-C419 PolarHBondContact O-N 3.06Å; M417-T420 PolarHBondContact O-N 3.5Å; M417-T420 PolarHBondContact O-OG1 3.48Å
418	L	97.4	Very high	96.9	Very high	29 Å²	29	28 Å²	28	15%	0.152	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.2	-173.5	-72.5	178.1	0	0	0	113.4	H381 D385 T420 Q421 E422	H381-L418 WeakPolarHBondContact NE2-CD1 3.04Å; D385-L418 HydrophobicContact CB-CB 4.38Å; D385-L418 HydrophobicContact CB-CD1 3.86Å; D385-L418 HydrophobicContact CB-CG 4.21Å; D385-L418 WeakPolarHBondContact OD2-CB 3.17Å; D385-L418 WeakPolarHBondContact OD2-CG 3.46Å; D385-L418 PolarHBondContact OD2-N 2.75Å; L418-T420 PolarHBondContact O-N 3.35Å; L418-Q421 PolarHBondContact O-N 2.82Å; L418-E422 PolarHBondContact O-N 3.06Å
419	C	95.9	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.5	-10.9	178.1	63.2	0	0	0	0	114.4	H297 H382 M417 L428 P430	H297-C419 PolarHBondContact CE1-O 3.37Å; H297-C419 VanDerWaalsContact CE1-O 3.25Å; H297-C419 PolarHBondContact NE2-O 3.48Å; H382-C419 HydrophobicContact CB-CB 4.15Å; M417-C419 VanDerWaalsContact C-N 3.27Å; M417-C419 PolarHBondContact O-N 3.06Å; C419-L428 HydrophobicContact CB-CD2 4.02Å; C419-P430 HydrophobicContact CB-CB 4.4Å; C419-P430 HydrophobicContact CB-CG 4.31Å
420	T	95.1	Very high	96.9	Very high	13 Å²	13	28 Å²	28	8%	0.08	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-105.3	-5.4	175.6	72.6	0	0	0	0	114	H297 V413 T414 T415 M417 L418 I432	H297-T420 PolarHBondContact CD2-O 2.91Å; H297-T420 WeakPolarHBondContact NE2-CA 3.35Å; H297-T420 PolarHBondContact NE2-O 3.49Å; V413-T420 HydrophobicContact CG1-CG2 3.48Å; V413-T420 VanDerWaalsContact CG1-CG2 3.48Å; T414-T420 WeakPolarHBondContact O-CG2 3.4Å; T414-T420 PolarHBondContact O-OG1 3.31Å; T415-T420 VanDerWaalsContact C-OG1 3.28Å; T415-T420 WeakPolarHBondContact CA-OG1 3.22Å; T415-T420 PolarHBondContact O-OG1 3.09Å; T415-T420 VanDerWaalsContact O-OG1 3.04Å; M417-T420 PolarHBondContact O-N 3.5Å; M417-T420 PolarHBondContact O-OG1 3.48Å; L418-T420 PolarHBondContact O-N 3.35Å; T420-I432 HydrophobicContact CG2-CD1 3.81Å; T420-I432 HydrophobicContact CG2-CG1 4.35Å
421	Q	94.4	Very high	96.9	Very high	118 Å²	118	28 Å²	28	55%	0.551	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-29.2	178.6	-63.2	175.2	29.7	0	0	111.5	T415 D416 L418	T415-Q421 PolarHBondContact O-NE2 2.86Å; D416-Q421 VanDerWaalsContact C-NE2 3.27Å; D416-Q421 PolarHBondContact O-NE2 2.79Å; D416-Q421 VanDerWaalsContact O-NE2 3.09Å; L418-Q421 PolarHBondContact O-N 2.82Å
422	E	93.8	Very high	96.9	Very high	88 Å²	88	28.5 Å²	28.5	41%	0.411	16%	0.158	S	C	.	.	S	Bend	trans	-121.4	140	-176.4	-60.7	-171.1	-165.7	0	0	112	H297 H382 L418 T424	H297-E422 PolarHBondContact CE1-O 2.62Å; H382-E422 IonicContact NE2-OE2 3.17Å; L418-E422 PolarHBondContact O-N 3.06Å; E422-T424 PolarHBondContact O-N 3.48Å
423	E	93.4	Very high	97	Very high	38 Å²	38	32 Å²	32	18%	0.178	16%	0.159	C	C	.	.			trans	-62.8	122.6	172.3	-171.1	173.2	-154.1	0	0	110.5	G296 K378 F425	G296-E423 WeakPolarHBondContact O-CB 3.47Å; G296-E423 WeakPolarHBondContact O-CG 3.42Å; K378-E423 WeakPolarHBondContact CE-O 3.39Å; K378-E423 PolarHBondContact NZ-O 3.36Å; E423-F425 HydrophobicContact CG-CD2 4.16Å
424	T	93.8	Very high	97	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	16%	0.158	C	C	.	.			trans	-80.2	-40.9	-175.8	-58.5	0	0	0	0	112.1	V379 H382 E422 G426 L428	V379-T424 HydrophobicContact CB-CG2 4.48Å; V379-T424 HydrophobicContact CG2-CG2 3.88Å; H382-T424 PolarHBondContact ND1-OG1 2.98Å; E422-T424 PolarHBondContact O-N 3.48Å; T424-G426 PolarHBondContact O-N 3.4Å; T424-L428 HydrophobicContact CG2-CB 3.97Å; T424-L428 HydrophobicContact CG2-CD2 3.97Å
425	F	95.8	Very high	97	Very high	42 Å²	42	34.3 Å²	34.3	18%	0.184	17%	0.165	C	C	.	.			trans	55	47.4	-177.6	-134.9	-100	0	0	0	113.5	W191 N192 G324 Q325 T326 E423	W191-F425 AromaticContact CH2-CD1 3.67Å; W191-F425 HydrophobicContact CH2-CD1 3.67Å; W191-F425 AromaticContact CH2-CE1 3.39Å; W191-F425 HydrophobicContact CH2-CE1 3.39Å; W191-F425 AromaticContact CZ2-CD1 3.74Å; W191-F425 HydrophobicContact CZ2-CD1 3.74Å; W191-F425 AromaticContact CZ2-CE1 3.47Å; W191-F425 HydrophobicContact CZ2-CE1 3.47Å; W191-F425 VanDerWaalsContact CZ2-CE1 3.47Å; W191-F425 HydrophobicContact CZ3-CE1 4.23Å; N192-F425 HydrophobicContact CB-CE1 4.19Å; N192-F425 HydrophobicContact CB-CZ 4.13Å; G324-F425 CarbonylContact O-C 3.59Å; G324-F425 WeakPolarHBondContact O-CA 3.45Å; Q325-F425 VanDerWaalsContact CA-CD1 3.48Å; Q325-F425 VanDerWaalsContact CA-CE1 3.45Å; Q325-F425 HydrophobicContact CB-CD1 3.64Å; Q325-F425 HydrophobicContact CB-CE1 3.58Å; Q325-F425 HydrophobicContact CB-CZ 4.49Å; Q325-F425 HydrophobicContact CG-CD1 4.01Å; Q325-F425 HydrophobicContact CG-CE1 4.41Å; Q325-F425 WeakPolarHBondContact CG-O 3.46Å; Q325-F425 WeakPolarHBondContact O-CE1 3.26Å; Q325-F425 WeakPolarHBondContact O-CZ 3.48Å; T326-F425 VanDerWaalsContact C-CE2 3.5Å; E423-F425 HydrophobicContact CG-CD2 4.16Å
426	G	97.6	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-166.2	178.9	178.3	0	0	0	0	0	111.4	K319 S323 G324 T424 L428	K319-G426 WeakPolarHBondContact CE-O 3.19Å; K319-G426 PolarHBondContact NZ-O 2.79Å; S323-G426 CarbonylContact O-C 3.48Å; S323-G426 VanDerWaalsContact O-C 3.29Å; S323-G426 WeakPolarHBondContact O-CA 3.47Å; G324-G426 PolarHBondContact O-N 3.15Å; T424-G426 PolarHBondContact O-N 3.4Å; G426-L428 PolarHBondContact O-N 3.43Å
427	P	98	Very high	97.2	Very high	2 Å²	2	31 Å²	31	1%	0.013	15%	0.146	C	C	.	.	S	Bend	trans	-83.2	55.1	-166.2	37.3	-40.2	0	0	0	112.1	F320 S323 M405 P407 T408	F320-P427 HydrophobicContact CD1-CB 4.13Å; F320-P427 HydrophobicContact CE1-CB 4.29Å; S323-P427 VanDerWaalsContact O-CD 3.25Å; S323-P427 WeakPolarHBondContact O-CD 3.41Å; M405-P427 HydrophobicContact CB-CG 4.32Å; M405-P427 HydrophobicContact CG-CG 4.31Å; P407-P427 CarbonylContact C-O 3.44Å; P407-P427 WeakPolarHBondContact CA-O 3.16Å; P407-P427 HydrophobicContact CB-CB 4.34Å; P407-P427 HydrophobicContact CG-CB 4.43Å; T408-P427 PolarHBondContact N-O 2.94Å
428	L	98.7	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.2	179.1	-178.9	61.6	0	0	0	111.8	K319 V379 H382 I383 T408 L410 C419 T424 G426 P430	K319-L428 WeakPolarHBondContact CD-O 3.25Å; K319-L428 WeakPolarHBondContact CE-O 3.19Å; K319-L428 PolarHBondContact NZ-O 2.86Å; V379-L428 HydrophobicContact CG1-CB 4.41Å; H382-L428 HydrophobicContact CB-CD2 3.91Å; I383-L428 HydrophobicContact CD1-CD1 4.15Å; I383-L428 HydrophobicContact CG1-CD1 3.64Å; I383-L428 HydrophobicContact CG1-CD2 4.1Å; I383-L428 HydrophobicContact CG1-CG 4.48Å; T408-L428 HydrophobicContact CG2-CD1 3.63Å; T408-L428 CarbonylContact O-C 3.44Å; L410-L428 HydrophobicContact CD1-CD1 3.78Å; L410-L428 HydrophobicContact CG-CD1 3.8Å; C419-L428 HydrophobicContact CB-CD2 4.02Å; T424-L428 HydrophobicContact CG2-CB 3.97Å; T424-L428 HydrophobicContact CG2-CD2 3.97Å; G426-L428 PolarHBondContact O-N 3.43Å; L428-P430 VanDerWaalsContact O-CD 3.28Å; L428-P430 WeakPolarHBondContact O-CD 3.45Å
429	V	98.7	Very high	97.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	95.9	174.3	-179	0	0	0	0	109.3	K319 F320 F333 L347 T408 L409 L410 V431	K319-V429 HydrophobicContact CB-CG2 4.38Å; K319-V429 HydrophobicContact CD-CG2 4.17Å; K319-V429 HydrophobicContact CG-CG2 3.64Å; F320-V429 HydrophobicContact CE1-CG2 4.22Å; F320-V429 HydrophobicContact CE2-CG2 4.24Å; F320-V429 HydrophobicContact CZ-CG2 3.57Å; F333-V429 HydrophobicContact CD1-CG1 4.37Å; F333-V429 HydrophobicContact CD2-CB 4.41Å; F333-V429 HydrophobicContact CD2-CG1 3.52Å; F333-V429 HydrophobicContact CE2-CB 4.28Å; F333-V429 HydrophobicContact CE2-CG1 3.67Å; F333-V429 HydrophobicContact CE2-CG2 4.17Å; F333-V429 HydrophobicContact CG-CG1 3.88Å; F333-V429 HydrophobicContact CZ-CG1 4.15Å; F333-V429 HydrophobicContact CZ-CG2 4.48Å; L347-V429 HydrophobicContact CD2-CG1 3.84Å; T408-V429 PolarHBondContact O-N 3.27Å; L409-V429 HydrophobicContact CD1-CB 3.7Å; L409-V429 HydrophobicContact CD1-CG1 3.44Å; L409-V429 VanDerWaalsContact CD1-CG1 3.44Å; L410-V429 PolarHBondContact N-O 3Å; V429-V431 HydrophobicContact CG1-CG2 3.71Å
430	P	98.4	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.1	170	31.9	-29.7	0	0	0	111.1	N331 F333 V413 C419 L428	N331-P430 WeakPolarHBondContact O-CD 3.43Å; N331-P430 WeakPolarHBondContact O-CG 3.49Å; F333-P430 WeakPolarHBondContact CB-O 3.41Å; F333-P430 PolarHBondContact N-O 2.87Å; V413-P430 HydrophobicContact CB-CB 4.28Å; V413-P430 HydrophobicContact CG1-CB 3.98Å; V413-P430 HydrophobicContact CG2-CB 3.83Å; C419-P430 HydrophobicContact CB-CB 4.4Å; C419-P430 HydrophobicContact CB-CG 4.31Å; L428-P430 VanDerWaalsContact O-CD 3.28Å; L428-P430 WeakPolarHBondContact O-CD 3.45Å
431	V	98.8	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.8	-176.6	-167	0	0	0	0	112.3	F333 V335 Y340 L344 L409 L410 V413 V429	F333-V431 HydrophobicContact CB-CB 4.38Å; F333-V431 HydrophobicContact CB-CG1 4.28Å; F333-V431 HydrophobicContact CB-CG2 4.02Å; F333-V431 WeakPolarHBondContact O-CA 3.27Å; V335-V431 HydrophobicContact CB-CG1 4.13Å; V335-V431 HydrophobicContact CG2-CG1 3.63Å; Y340-V431 HydrophobicContact CD2-CG1 4.42Å; Y340-V431 HydrophobicContact CE2-CG1 3.68Å; Y340-V431 PolarHBondContact OH-O 3.38Å; L344-V431 HydrophobicContact CD2-CB 3.93Å; L344-V431 HydrophobicContact CD2-CG1 4.02Å; L344-V431 HydrophobicContact CD2-CG2 3.64Å; L409-V431 HydrophobicContact CD1-CG2 3.76Å; L410-V431 WeakPolarHBondContact O-CB 3.36Å; L410-V431 WeakPolarHBondContact O-CG2 3.46Å; L410-V431 PolarHBondContact O-N 2.78Å; V413-V431 PolarHBondContact N-O 2.9Å; V429-V431 HydrophobicContact CG1-CG2 3.71Å
432	I	98.8	Very high	97.7	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.3	174.8	-56.1	164.3	0	0	0	108.4	F333 L334 V335 V413 T415 T420 V443	F333-I432 PolarHBondContact O-N 3.46Å; L334-I432 WeakPolarHBondContact CA-O 3.42Å; L334-I432 HydrophobicContact CD2-CB 3.78Å; L334-I432 HydrophobicContact CD2-CD1 4.02Å; L334-I432 HydrophobicContact CD2-CG2 3.82Å; V335-I432 PolarHBondContact N-O 3.24Å; V413-I432 HydrophobicContact CB-CG1 4.14Å; V413-I432 HydrophobicContact CG1-CG1 3.96Å; V413-I432 WeakPolarHBondContact O-CA 3.41Å; T415-I432 HydrophobicContact CG2-CD1 4.49Å; T420-I432 HydrophobicContact CG2-CD1 3.81Å; T420-I432 HydrophobicContact CG2-CG1 4.35Å; I432-V443 HydrophobicContact CD1-CG1 4.41Å
433	R	98.7	Very high	97.9	Very high	111 Å²	111	34.4 Å²	34.4	42%	0.419	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.8	172.4	-171	176.6	-65.2	171.5	-2.8	109.5	V335 Y340 E341	V335-R433 WeakPolarHBondContact O-CA 3.47Å; Y340-R433 HydrophobicContact CD2-CB 3.69Å; Y340-R433 HydrophobicContact CD2-CG 3.76Å; Y340-R433 HydrophobicContact CE2-CB 3.56Å; Y340-R433 HydrophobicContact CE2-CG 4.16Å; Y340-R433 HydrophobicContact CG-CG 4.24Å; E341-R433 IonicContact OE1-NH2 2.8Å; E341-R433 PolarHBondContact OE1-NH2 3.38Å
434	F	98.8	Very high	98.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	162.9	170.9	74.4	-93.8	0	0	0	110.8	I301 F303 L334 V335 Q336 S337 T436 E439 A440	I301-F434 HydrophobicContact CG2-CE1 3.75Å; I301-F434 HydrophobicContact CG2-CZ 3.8Å; F303-F434 AromaticContact CD1-CE2 3.96Å; F303-F434 HydrophobicContact CD1-CE2 3.96Å; F303-F434 AromaticContact CD1-CZ 3.7Å; F303-F434 HydrophobicContact CD1-CZ 3.7Å; F303-F434 AromaticContact CE1-CE2 3.95Å; F303-F434 HydrophobicContact CE1-CE2 3.95Å; F303-F434 AromaticContact CE1-CZ 3.82Å; F303-F434 HydrophobicContact CE1-CZ 3.82Å; F303-F434 HydrophobicContact CG-CZ 4.48Å; L334-F434 VanDerWaalsContact C-CE1 3.48Å; L334-F434 HydrophobicContact CB-CD1 3.82Å; L334-F434 HydrophobicContact CB-CE1 4Å; L334-F434 WeakPolarHBondContact O-CE1 3.32Å; V335-F434 VanDerWaalsContact C-CD1 3.47Å; V335-F434 PolarHBondContact O-N 3.11Å; Q336-F434 WeakPolarHBondContact CA-O 3.41Å; Q336-F434 HydrophobicContact CB-CD2 4.34Å; Q336-F434 HydrophobicContact CB-CE1 3.98Å; Q336-F434 HydrophobicContact CB-CE2 3.68Å; Q336-F434 HydrophobicContact CB-CZ 3.49Å; Q336-F434 VanDerWaalsContact CB-CZ 3.49Å; Q336-F434 HydrophobicContact CG-CD2 4.13Å; Q336-F434 HydrophobicContact CG-CE2 3.62Å; Q336-F434 HydrophobicContact CG-CZ 3.99Å; S337-F434 PolarHBondContact N-O 2.88Å; F434-T436 WeakPolarHBondContact CD2-O 3.26Å; F434-E439 HydrophobicContact CB-CG 4.22Å; F434-A440 HydrophobicContact CD1-CB 4.09Å; F434-A440 HydrophobicContact CD2-CB 3.76Å; F434-A440 HydrophobicContact CE1-CB 4.07Å; F434-A440 HydrophobicContact CE2-CB 3.75Å; F434-A440 HydrophobicContact CG-CB 3.93Å; F434-A440 HydrophobicContact CZ-CB 3.89Å
435	E	98.7	Very high	98.4	Very high	108 Å²	108	34.2 Å²	34.2	51%	0.505	17%	0.174	S	C	.	.	S	Bend	trans	-107.2	-39.7	-179.5	-60.8	-60.8	154.5	0	0	112.6	Q336 S337 E439	Q336-E435 PolarHBondContact NE2-O 3.33Å; S337-E435 VanDerWaalsContact CB-OE1 3.31Å; S337-E435 WeakPolarHBondContact CB-OE1 3.31Å; S337-E435 WeakPolarHBondContact CB-OE2 3.34Å; S337-E435 PolarHBondContact OG-OE2 3.26Å; E435-E439 PolarHBondContact N-OE2 3.47Å
436	T	98.8	Very high	98.4	Very high	62 Å²	62	35.9 Å²	35.9	38%	0.38	20%	0.196	S	C	.	.	S	Bend	trans	-122.5	157.4	-171.3	64.3	0	0	0	0	114	F434 E438 E439 A440	F434-T436 WeakPolarHBondContact CD2-O 3.26Å; T436-E438 VanDerWaalsContact C-N 3.28Å; T436-E438 PolarHBondContact O-N 3.47Å; T436-E439 PolarHBondContact O-N 3.26Å; T436-E439 VanDerWaalsContact OG1-CB 3.25Å; T436-E439 WeakPolarHBondContact OG1-CB 3.05Å; T436-E439 PolarHBondContact OG1-N 3.05Å; T436-A440 PolarHBondContact O-N 3.44Å; T436-A440 VanDerWaalsContact O-N 3.11Å
437	E	98.8	Very high	98.2	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-41.2	175.7	-177.5	178.6	129.1	0	0	111.3	F303 A440 L441 Q462 R465 V466	F303-E437 HydrophobicContact CE1-CB 4.18Å; F303-E437 HydrophobicContact CE1-CG 4.12Å; F303-E437 HydrophobicContact CZ-CG 4.3Å; E437-A440 PolarHBondContact O-N 2.99Å; E437-L441 HydrophobicContact CG-CD1 4.25Å; E437-L441 WeakPolarHBondContact O-CG 3.32Å; E437-L441 PolarHBondContact O-N 2.87Å; E437-Q462 VanDerWaalsContact OE2-CG 3.24Å; E437-Q462 WeakPolarHBondContact OE2-CG 3.43Å; E437-Q462 PolarHBondContact OE2-NE2 3.05Å; E437-R465 IonicContact OE1-CZ 3.8Å; E437-R465 IonicContact OE1-NE 3.83Å; E437-R465 PolarHBondContact OE1-NE 3.36Å; E437-R465 IonicContact OE1-NH2 2.9Å; E437-R465 PolarHBondContact OE1-NH2 3.36Å; E437-R465 IonicContact OE2-CZ 2.85Å; E437-R465 IonicContact OE2-NE 3.44Å; E437-R465 IonicContact OE2-NH2 3.6Å; E437-R465 PolarHBondContact OE2-NH2 3.17Å; E437-V466 HydrophobicContact CG-CG2 3.88Å
438	E	98.8	Very high	98	Very high	134 Å²	134	42.2 Å²	42.2	63%	0.626	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-42.3	179.2	-63.5	74.1	-163.5	0	0	111.7	T436 L441 A442	T436-E438 VanDerWaalsContact C-N 3.28Å; T436-E438 PolarHBondContact O-N 3.47Å; E438-L441 PolarHBondContact O-N 2.92Å; E438-A442 WeakPolarHBondContact O-CB 3.47Å; E438-A442 PolarHBondContact O-N 2.83Å
439	E	98.6	Very high	97.9	Very high	75 Å²	75	43.8 Å²	43.8	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-47.5	175.5	-179.4	-171.7	-179.9	0	0	111.4	F434 E435 T436 L441 A442 V443	F434-E439 HydrophobicContact CB-CG 4.22Å; E435-E439 PolarHBondContact N-OE2 3.47Å; T436-E439 PolarHBondContact O-N 3.26Å; T436-E439 VanDerWaalsContact OG1-CB 3.25Å; T436-E439 WeakPolarHBondContact OG1-CB 3.05Å; T436-E439 PolarHBondContact OG1-N 3.05Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 3.15Å; E439-A442 PolarHBondContact O-N 2.69Å; E439-V443 WeakPolarHBondContact O-CG2 3.31Å; E439-V443 PolarHBondContact O-N 2.95Å
440	A	98.6	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-43.7	179.4	0	0	0	0	0	111.6	I301 F303 F434 T436 E437 A444	I301-A440 HydrophobicContact CD1-CB 4.43Å; I301-A440 HydrophobicContact CG2-CB 3.96Å; F303-A440 HydrophobicContact CE1-CB 4.43Å; F434-A440 HydrophobicContact CD1-CB 4.09Å; F434-A440 HydrophobicContact CD2-CB 3.76Å; F434-A440 HydrophobicContact CE1-CB 4.07Å; F434-A440 HydrophobicContact CE2-CB 3.75Å; F434-A440 HydrophobicContact CG-CB 3.93Å; F434-A440 HydrophobicContact CZ-CB 3.89Å; T436-A440 PolarHBondContact O-N 3.44Å; T436-A440 VanDerWaalsContact O-N 3.11Å; E437-A440 PolarHBondContact O-N 2.99Å; A440-A444 WeakPolarHBondContact O-CB 3.46Å; A440-A444 PolarHBondContact O-N 2.98Å
441	L	98.6	Very high	97.8	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-42.7	176.5	-75.5	170.6	0	0	0	112.1	E437 E438 E439 V443 A444 N445 V466 A469 L470	E437-L441 HydrophobicContact CG-CD1 4.25Å; E437-L441 WeakPolarHBondContact O-CG 3.32Å; E437-L441 PolarHBondContact O-N 2.87Å; E438-L441 PolarHBondContact O-N 2.92Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 3.15Å; L441-V443 PolarHBondContact O-N 3.36Å; L441-A444 PolarHBondContact O-N 3.41Å; L441-N445 VanDerWaalsContact O-CB 3.29Å; L441-N445 WeakPolarHBondContact O-CB 3.36Å; L441-N445 PolarHBondContact O-N 3.25Å; L441-V466 HydrophobicContact CD2-CG1 4.13Å; L441-A469 HydrophobicContact CD1-CB 3.85Å; L441-A469 HydrophobicContact CD2-CB 3.96Å; L441-L470 HydrophobicContact CD2-CD2 4.04Å; L441-L470 HydrophobicContact CD2-CG 4.05Å
442	A	98.4	Very high	97.8	Very high	63 Å²	63	43.9 Å²	43.9	52%	0.521	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-45.8	177.2	0	0	0	0	0	111.4	E438 E439 A446	E438-A442 WeakPolarHBondContact O-CB 3.47Å; E438-A442 PolarHBondContact O-N 2.83Å; E439-A442 PolarHBondContact O-N 2.69Å; A442-A446 WeakPolarHBondContact O-CB 3.47Å; A442-A446 PolarHBondContact O-N 3.44Å; A442-A446 VanDerWaalsContact O-N 3.08Å
443	V	97.9	Very high	97.7	Very high	26 Å²	26	43.4 Å²	43.4	16%	0.158	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-44.5	176.6	176.7	0	0	0	0	111.1	R332 L334 T415 I432 E439 L441 N445	R332-V443 PolarHBondContact NH1-O 2.78Å; L334-V443 HydrophobicContact CD1-CB 4.36Å; L334-V443 HydrophobicContact CD1-CG1 4.23Å; L334-V443 HydrophobicContact CD2-CB 4.12Å; L334-V443 HydrophobicContact CD2-CG1 3.66Å; T415-V443 HydrophobicContact CG2-CG1 3.72Å; T415-V443 HydrophobicContact CG2-CG2 4.16Å; I432-V443 HydrophobicContact CD1-CG1 4.41Å; E439-V443 WeakPolarHBondContact O-CG2 3.31Å; E439-V443 PolarHBondContact O-N 2.95Å; L441-V443 PolarHBondContact O-N 3.36Å; V443-N445 PolarHBondContact O-N 3.29Å
444	A	98	Very high	97.7	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-47.6	178.6	0	0	0	0	0	112	P299 I301 R332 L334 A440 L441 L470	P299-A444 HydrophobicContact CB-CB 3.8Å; P299-A444 HydrophobicContact CG-CB 3.88Å; I301-A444 HydrophobicContact CD1-CB 4.09Å; R332-A444 PolarHBondContact NH1-O 3.47Å; R332-A444 PolarHBondContact NH2-O 2.9Å; L334-A444 HydrophobicContact CD1-CB 4.18Å; A440-A444 WeakPolarHBondContact O-CB 3.46Å; A440-A444 PolarHBondContact O-N 2.98Å; L441-A444 PolarHBondContact O-N 3.41Å; A444-L470 HydrophobicContact CB-CD2 3.75Å
445	N	98.2	Very high	97.8	Very high	32 Å²	32	38 Å²	38	17%	0.171	22%	0.219	C	C	.	.	H	α-helix	trans	-82.2	-14.7	-173.6	-69.7	-18.3	0	0	0	114.4	L441 V443 A447 A469 E471 K493	L441-N445 VanDerWaalsContact O-CB 3.29Å; L441-N445 WeakPolarHBondContact O-CB 3.36Å; L441-N445 PolarHBondContact O-N 3.25Å; V443-N445 PolarHBondContact O-N 3.29Å; N445-A447 PolarHBondContact O-N 2.98Å; N445-A469 PolarHBondContact ND2-O 3.11Å; N445-E471 HydrophobicContact CB-CB 4.48Å; N445-E471 HydrophobicContact CB-CG 4.3Å; N445-E471 PolarHBondContact OD1-N 3.12Å; N445-K493 PolarHBondContact O-NZ 3.45Å
446	A	96.4	Very high	97.8	Very high	78 Å²	78	33.1 Å²	33.1	65%	0.645	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.3	177.4	0	0	0	0	0	114.2	A442	A442-A446 WeakPolarHBondContact O-CB 3.47Å; A442-A446 PolarHBondContact O-N 3.44Å; A442-A446 VanDerWaalsContact O-N 3.08Å
447	A	93.6	Very high	97.8	Very high	16 Å²	16	30.1 Å²	30.1	13%	0.132	18%	0.178	C	C	.	.	S	Bend	trans	-69.4	139	176	0	0	0	0	0	111.8	N445 V449 K493	N445-A447 PolarHBondContact O-N 2.98Å; A447-V449 HydrophobicContact CB-CG2 3.91Å; A447-V449 PolarHBondContact O-N 3.28Å; A447-V449 VanDerWaalsContact O-N 3.17Å; A447-K493 PolarHBondContact O-NZ 3.05Å; A447-K493 VanDerWaalsContact O-NZ 3.09Å
448	N	94.1	Very high	97.8	Very high	119 Å²	119	34.4 Å²	34.4	64%	0.636	20%	0.198	S	C	*	.	S	Bend	trans	-71	-3.8	173.1	-71.6	-48.7	0	0	0	113.6	K493 Q494	N448-K493 VanDerWaalsContact O-CB 3.29Å; N448-K493 WeakPolarHBondContact O-CB 3.14Å; N448-Q494 WeakPolarHBondContact O-CB 3.23Å; N448-Q494 WeakPolarHBondContact O-CG 3.37Å; N448-Q494 PolarHBondContact O-N 3.49Å; N448-Q494 VanDerWaalsContact O-N 3.16Å
449	V	95.8	Very high	97.7	Very high	33 Å²	33	31.7 Å²	31.7	20%	0.2	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.9	-179.9	-71.3	0	0	0	0	109.1	G295 H297 A447 Q494 S495	G295-V449 WeakPolarHBondContact O-CG1 3.37Å; H297-V449 HydrophobicContact CB-CG2 3.55Å; A447-V449 HydrophobicContact CB-CG2 3.91Å; A447-V449 PolarHBondContact O-N 3.28Å; A447-V449 VanDerWaalsContact O-N 3.17Å; V449-Q494 HydrophobicContact CG1-CB 4.44Å; V449-S495 WeakPolarHBondContact CA-OG 3.42Å; V449-S495 VanDerWaalsContact CB-OG 3.24Å; V449-S495 WeakPolarHBondContact CB-OG 3.35Å
450	G	97.3	Very high	97.7	Very high	1 Å²	1	33 Å²	33	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	64.5	-174.9	0	0	0	0	0	111.5	E471 V472 G473 G491 V492 S495	G450-E471 WeakPolarHBondContact CA-O 3.48Å; G450-V472 WeakPolarHBondContact O-CA 3.28Å; G450-G473 PolarHBondContact O-N 3.09Å; G450-G491 WeakPolarHBondContact O-CA 3.19Å; G450-V492 WeakPolarHBondContact O-CG2 3.5Å; G450-V492 PolarHBondContact O-N 3.25Å; G450-S495 PolarHBondContact N-OG 3.1Å
451	L	97.8	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-88.5	-76.8	-178.5	-174.8	63.5	0	0	0	111.8	E293 C327 V328 G473 M474 S495	E293-L451 HydrophobicContact CG-CD1 3.89Å; E293-L451 WeakPolarHBondContact OE1-CD2 3.31Å; C327-L451 HydrophobicContact CB-CD2 3.65Å; C327-L451 WeakPolarHBondContact O-CD2 3.48Å; V328-L451 HydrophobicContact CG1-CD2 4.21Å; V328-L451 HydrophobicContact CG1-CG 4.5Å; L451-G473 PolarHBondContact O-N 2.99Å; L451-M474 HydrophobicContact CD1-CE 3.54Å; L451-M474 HydrophobicContact CG-CE 3.65Å; L451-M474 WeakPolarHBondContact O-CE 3.48Å; L451-M474 PolarHBondContact O-N 3.38Å; L451-S495 PolarHBondContact N-OG 3.34Å
452	A	98.4	Very high	97.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.7	176.3	0	0	0	0	0	110.4	A298 V328 Y454 M474 L482	A298-A452 VanDerWaalsContact CA-O 3.25Å; A298-A452 WeakPolarHBondContact CA-O 3.47Å; A298-A452 HydrophobicContact CB-CB 4.32Å; A298-A452 WeakPolarHBondContact CB-O 3.34Å; V328-A452 HydrophobicContact CB-CB 3.96Å; V328-A452 HydrophobicContact CG1-CB 3.93Å; A452-Y454 HydrophobicContact CB-CE2 4.02Å; A452-M474 CarbonylContact C-O 3.46Å; A452-M474 VanDerWaalsContact CA-O 3.31Å; A452-M474 WeakPolarHBondContact CA-O 3.38Å; A452-M474 HydrophobicContact CB-CE 4.22Å; A452-L482 HydrophobicContact CB-CD1 4.39Å
453	G	98.4	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.3	168.5	0	0	0	0	0	110	M474 V475 G476	G453-M474 PolarHBondContact N-O 3Å; G453-V475 CarbonylContact O-C 3.55Å; G453-V475 VanDerWaalsContact O-CA 3.28Å; G453-V475 WeakPolarHBondContact O-CA 3.22Å; G453-G476 PolarHBondContact O-N 3.38Å
454	Y	98.8	Very high	97.8	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.3	-176.7	-56.8	-92.1	0	0	0	109.1	A298 P299 F300 I301 V328 A452 G476 E479 G480 L482	A298-Y454 HydrophobicContact CB-CD2 4.33Å; A298-Y454 HydrophobicContact CB-CE2 4.05Å; P299-Y454 PolarHBondContact O-N 3.32Å; F300-Y454 CarbonylContact C-O 3.57Å; F300-Y454 WeakPolarHBondContact CA-O 3.32Å; F300-Y454 VanDerWaalsContact CD2-CB 3.47Å; F300-Y454 HydrophobicContact CD2-CD2 4.32Å; F300-Y454 AromaticContact CD2-CG 3.94Å; F300-Y454 HydrophobicContact CD2-CG 3.94Å; F300-Y454 HydrophobicContact CE2-CG 4.48Å; I301-Y454 PolarHBondContact N-O 3.01Å; V328-Y454 VanDerWaalsContact O-CE2 3.28Å; V328-Y454 WeakPolarHBondContact O-CE2 3.42Å; V328-Y454 PolarHBondContact O-OH 3.34Å; A452-Y454 HydrophobicContact CB-CE2 4.02Å; Y454-G476 CarbonylContact C-O 3.6Å; Y454-G476 WeakPolarHBondContact CA-O 3.26Å; Y454-E479 WeakPolarHBondContact CD1-O 3.34Å; Y454-G480 VanDerWaalsContact CE1-O 3.29Å; Y454-G480 WeakPolarHBondContact CE1-O 3.27Å; Y454-L482 HydrophobicContact CD1-CD1 4.42Å; Y454-L482 HydrophobicContact CE1-CD1 3.66Å; Y454-L482 HydrophobicContact CE1-CG 3.82Å
455	F	98.9	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.5	166.4	73.6	-87.5	0	0	0	113.5	I301 F303 I463 V466 A467 L470 V475 G476 V477 N478	I301-F455 HydrophobicContact CB-CB 3.82Å; I301-F455 HydrophobicContact CG1-CB 4.49Å; I301-F455 CarbonylContact O-C 3.59Å; I301-F455 WeakPolarHBondContact O-CA 3.36Å; F303-F455 HydrophobicContact CD2-CD2 4.36Å; F303-F455 HydrophobicContact CE2-CB 4.15Å; F303-F455 HydrophobicContact CE2-CD2 4.05Å; F303-F455 HydrophobicContact CE2-CG 4.39Å; F455-I463 HydrophobicContact CE2-CB 4.23Å; F455-I463 HydrophobicContact CE2-CG1 3.92Å; F455-I463 HydrophobicContact CE2-CG2 4.46Å; F455-I463 HydrophobicContact CZ-CB 4.35Å; F455-I463 HydrophobicContact CZ-CG1 4.46Å; F455-I463 HydrophobicContact CZ-CG2 4.17Å; F455-I463 VanDerWaalsContact CZ-O 3.3Å; F455-I463 WeakPolarHBondContact CZ-O 3.46Å; F455-V466 HydrophobicContact CB-CG1 4.26Å; F455-V466 HydrophobicContact CD1-CB 4.42Å; F455-V466 HydrophobicContact CD1-CG1 3.61Å; F455-V466 HydrophobicContact CD2-CB 4.41Å; F455-V466 HydrophobicContact CD2-CG1 4.06Å; F455-V466 HydrophobicContact CE1-CB 4.23Å; F455-V466 HydrophobicContact CE1-CG1 3.88Å; F455-V466 HydrophobicContact CE2-CB 4.25Å; F455-V466 HydrophobicContact CE2-CG1 4.32Å; F455-V466 HydrophobicContact CG-CB 4.49Å; F455-V466 HydrophobicContact CG-CG1 3.7Å; F455-V466 HydrophobicContact CZ-CB 4.15Å; F455-V466 HydrophobicContact CZ-CG1 4.23Å; F455-A467 HydrophobicContact CE1-CB 3.91Å; F455-A467 HydrophobicContact CZ-CB 4.08Å; F455-L470 HydrophobicContact CD1-CD1 3.9Å; F455-L470 HydrophobicContact CE1-CD1 4.49Å; F455-V475 HydrophobicContact CD1-CG1 3.96Å; F455-V475 HydrophobicContact CE1-CG1 3.66Å; F455-G476 PolarHBondContact N-O 3.32Å; F455-V477 HydrophobicContact CE1-CB 4.49Å; F455-V477 HydrophobicContact CE1-CG2 3.67Å; F455-V477 HydrophobicContact CE2-CG1 4.01Å; F455-V477 HydrophobicContact CZ-CB 4.24Å; F455-V477 HydrophobicContact CZ-CG1 3.83Å; F455-V477 HydrophobicContact CZ-CG2 3.65Å; F455-N478 PolarHBondContact O-N 3.19Å
456	Y	98.9	Very high	97.9	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.8	179.1	-77	-104.8	0	0	0	110.3	F300 I301 F303 R310 A311 G314 N478 E479 G480	F300-Y456 AromaticContact CE1-CD2 3.9Å; F300-Y456 HydrophobicContact CE1-CD2 3.9Å; F300-Y456 HydrophobicContact CE1-CE2 4.03Å; F300-Y456 HydrophobicContact CE2-CD2 4.22Å; F300-Y456 AromaticContact CE2-CE2 3.61Å; F300-Y456 HydrophobicContact CE2-CE2 3.61Å; F300-Y456 AromaticContact CZ-CD2 3.55Å; F300-Y456 HydrophobicContact CZ-CD2 3.55Å; F300-Y456 AromaticContact CZ-CE2 3.19Å; F300-Y456 HydrophobicContact CZ-CE2 3.19Å; I301-Y456 PolarHBondContact O-N 2.79Å; F303-Y456 WeakPolarHBondContact CD2-O 3.49Å; F303-Y456 PolarHBondContact N-O 3.43Å; F303-Y456 VanDerWaalsContact N-O 3.16Å; R310-Y456 VanDerWaalsContact C-CE1 3.46Å; R310-Y456 HydrophobicContact CB-CD1 4.36Å; R310-Y456 HydrophobicContact CB-CE1 4.08Å; R310-Y456 VanDerWaalsContact O-CE1 3.25Å; R310-Y456 WeakPolarHBondContact O-CE1 3.42Å; A311-Y456 VanDerWaalsContact CA-CD1 3.49Å; A311-Y456 HydrophobicContact CB-CD1 3.8Å; A311-Y456 HydrophobicContact CB-CD2 4.26Å; A311-Y456 HydrophobicContact CB-CE1 4.39Å; A311-Y456 HydrophobicContact CB-CG 3.74Å; G314-Y456 WeakPolarHBondContact CA-OH 3.5Å; Y456-N478 VanDerWaalsContact CA-OD1 3.3Å; Y456-N478 WeakPolarHBondContact CA-OD1 3.23Å; Y456-N478 HydrophobicContact CD1-CB 4.17Å; Y456-N478 VanDerWaalsContact CE1-CA 3.44Å; Y456-N478 HydrophobicContact CE1-CB 4.23Å; Y456-N478 WeakPolarHBondContact CE1-O 3.38Å; Y456-E479 VanDerWaalsContact OH-C 3.24Å; Y456-E479 VanDerWaalsContact OH-CA 3.28Å; Y456-E479 WeakPolarHBondContact OH-CA 3.41Å; Y456-E479 PolarHBondContact OH-N 3.38Å; Y456-G480 PolarHBondContact OH-N 3Å
457	S	98.8	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.			trans	-159.9	152.4	-179.5	178.9	0	0	0	0	109.8	S305 D459 Q462 N478	S305-S457 PolarHBondContact OG-OG 3.18Å; S457-D459 PolarHBondContact OG-N 2.91Å; S457-D459 VanDerWaalsContact OG-N 3.14Å; S457-Q462 PolarHBondContact OG-OE1 3.33Å; S457-N478 PolarHBondContact N-OD1 3.06Å; S457-N478 PolarHBondContact O-ND2 3.18Å; S457-N478 PolarHBondContact O-OD1 2.67Å; S457-N478 VanDerWaalsContact O-OD1 3.11Å
458	Q	98.6	Very high	98.2	Very high	111 Å²	111	47.4 Å²	47.4	52%	0.519	24%	0.239	S	C	.	.	S	Bend	trans	-107.8	-3.5	169.1	-65.2	-64.9	-62.3	0	0	112.6	S305 V460	S305-Q458 VanDerWaalsContact O-CB 3.31Å; S305-Q458 WeakPolarHBondContact O-CB 3.42Å; S305-Q458 WeakPolarHBondContact O-CG 3.24Å; S305-Q458 PolarHBondContact OG-N 3.36Å; S305-Q458 VanDerWaalsContact OG-N 3.13Å; Q458-V460 PolarHBondContact O-N 3.28Å
459	D	98.6	Very high	98.5	Very high	77 Å²	77	43.7 Å²	43.7	41%	0.412	23%	0.225	S	C	.	.			trans	-84.2	114	176.3	177.7	-27.8	0	0	0	109.6	S457 G461 Q462 I463	S457-D459 PolarHBondContact OG-N 2.91Å; S457-D459 VanDerWaalsContact OG-N 3.14Å; D459-G461 VanDerWaalsContact C-N 3.31Å; D459-G461 PolarHBondContact O-N 3.14Å; D459-G461 WeakPolarHBondContact OD1-CA 3.46Å; D459-G461 PolarHBondContact OD1-N 3.38Å; D459-Q462 HydrophobicContact CB-CB 3.78Å; D459-Q462 PolarHBondContact O-N 3.03Å; D459-Q462 PolarHBondContact OD1-N 3.33Å; D459-I463 VanDerWaalsContact O-CG1 3.23Å; D459-I463 WeakPolarHBondContact O-CG1 3.38Å; D459-I463 PolarHBondContact O-N 3.12Å
460	V	98.6	Very high	98.6	Very high	103 Å²	103	42.5 Å²	42.5	62%	0.624	22%	0.218	S	C	*	.	H	α-helix	trans	-61.9	-37.2	-178.4	178.7	0	0	0	0	112.3	Q458 I463 W464	Q458-V460 PolarHBondContact O-N 3.28Å; V460-I463 PolarHBondContact O-N 3.38Å; V460-W464 PolarHBondContact O-N 3.24Å
461	G	98.7	Very high	98.7	Very high	33 Å²	33	47.1 Å²	47.1	34%	0.34	24%	0.239	S	C	.	.	H	α-helix	trans	-68.3	-42.9	177.3	0	0	0	0	0	111.5	D459 I463 W464 R465	D459-G461 VanDerWaalsContact C-N 3.31Å; D459-G461 PolarHBondContact O-N 3.14Å; D459-G461 WeakPolarHBondContact OD1-CA 3.46Å; D459-G461 PolarHBondContact OD1-N 3.38Å; G461-I463 VanDerWaalsContact C-N 3.35Å; G461-W464 PolarHBondContact O-N 3.12Å; G461-R465 VanDerWaalsContact C-NH1 3.29Å; G461-R465 WeakPolarHBondContact O-CG 3.32Å; G461-R465 PolarHBondContact O-N 3.08Å; G461-R465 PolarHBondContact O-NH1 3.5Å
462	Q	98.8	Very high	98.7	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-40.4	174	176.2	168.6	80.6	0	0	111.9	F303 E437 S457 D459 W464 R465 V466	F303-Q462 HydrophobicContact CD2-CG 4.46Å; F303-Q462 HydrophobicContact CE2-CG 4.43Å; F303-Q462 VanDerWaalsContact CG-OE1 3.29Å; E437-Q462 VanDerWaalsContact OE2-CG 3.24Å; E437-Q462 WeakPolarHBondContact OE2-CG 3.43Å; E437-Q462 PolarHBondContact OE2-NE2 3.05Å; S457-Q462 PolarHBondContact OG-OE1 3.33Å; D459-Q462 HydrophobicContact CB-CB 3.78Å; D459-Q462 PolarHBondContact O-N 3.03Å; D459-Q462 PolarHBondContact OD1-N 3.33Å; Q462-W464 VanDerWaalsContact C-N 3.32Å; Q462-W464 PolarHBondContact O-N 2.97Å; Q462-R465 PolarHBondContact O-N 3.21Å; Q462-V466 HydrophobicContact CG-CG2 3.87Å; Q462-V466 WeakPolarHBondContact O-CB 3.2Å; Q462-V466 VanDerWaalsContact O-CG2 3.31Å; Q462-V466 WeakPolarHBondContact O-CG2 3.44Å; Q462-V466 PolarHBondContact O-N 2.99Å
463	I	98.9	Very high	98.7	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-54.9	-49.1	178.4	-75.8	163	0	0	0	111	F455 D459 V460 G461 A467 V477	F455-I463 HydrophobicContact CE2-CB 4.23Å; F455-I463 HydrophobicContact CE2-CG1 3.92Å; F455-I463 HydrophobicContact CE2-CG2 4.46Å; F455-I463 HydrophobicContact CZ-CB 4.35Å; F455-I463 HydrophobicContact CZ-CG1 4.46Å; F455-I463 HydrophobicContact CZ-CG2 4.17Å; F455-I463 VanDerWaalsContact CZ-O 3.3Å; F455-I463 WeakPolarHBondContact CZ-O 3.46Å; D459-I463 VanDerWaalsContact O-CG1 3.23Å; D459-I463 WeakPolarHBondContact O-CG1 3.38Å; D459-I463 PolarHBondContact O-N 3.12Å; V460-I463 PolarHBondContact O-N 3.38Å; G461-I463 VanDerWaalsContact C-N 3.35Å; I463-A467 WeakPolarHBondContact O-CB 3.44Å; I463-A467 PolarHBondContact O-N 3.21Å; I463-V477 HydrophobicContact CD1-CG1 4.43Å; I463-V477 HydrophobicContact CG1-CG1 4.14Å; I463-V477 HydrophobicContact CG2-CG1 3.71Å
464	W	98.8	Very high	98.7	Very high	163 Å²	163	50 Å²	50	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-66.2	-48.4	179.1	-82.3	99	0	0	0	112.4	V460 G461 Q462 V466 A467 E468	V460-W464 PolarHBondContact O-N 3.24Å; G461-W464 PolarHBondContact O-N 3.12Å; Q462-W464 VanDerWaalsContact C-N 3.32Å; Q462-W464 PolarHBondContact O-N 2.97Å; W464-V466 PolarHBondContact O-N 3.15Å; W464-A467 PolarHBondContact O-N 3.45Å; W464-E468 HydrophobicContact CE3-CG 4.48Å; W464-E468 WeakPolarHBondContact O-CG 3.2Å; W464-E468 PolarHBondContact O-N 3.01Å
465	R	98.8	Very high	98.7	Very high	123 Å²	123	52 Å²	52	46%	0.464	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-48	-179.8	-70.9	-170	-52.4	-90	1.8	112.1	E437 G461 Q462 A469	E437-R465 IonicContact OE1-CZ 3.8Å; E437-R465 IonicContact OE1-NE 3.83Å; E437-R465 PolarHBondContact OE1-NE 3.36Å; E437-R465 IonicContact OE1-NH2 2.9Å; E437-R465 PolarHBondContact OE1-NH2 3.36Å; E437-R465 IonicContact OE2-CZ 2.85Å; E437-R465 IonicContact OE2-NE 3.44Å; E437-R465 IonicContact OE2-NH2 3.6Å; E437-R465 PolarHBondContact OE2-NH2 3.17Å; G461-R465 VanDerWaalsContact C-NH1 3.29Å; G461-R465 WeakPolarHBondContact O-CG 3.32Å; G461-R465 PolarHBondContact O-N 3.08Å; G461-R465 PolarHBondContact O-NH1 3.5Å; Q462-R465 PolarHBondContact O-N 3.21Å; R465-A469 WeakPolarHBondContact O-CB 3.49Å; R465-A469 PolarHBondContact O-N 3.28Å
466	V	98.9	Very high	98.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.4	-41.2	-178	176.4	0	0	0	0	111.1	F303 E437 L441 F455 Q462 W464 E468 A469 L470	F303-V466 HydrophobicContact CE2-CB 4.49Å; F303-V466 HydrophobicContact CE2-CG1 4.11Å; F303-V466 HydrophobicContact CE2-CG2 3.88Å; F303-V466 HydrophobicContact CZ-CG1 4.26Å; F303-V466 HydrophobicContact CZ-CG2 3.66Å; E437-V466 HydrophobicContact CG-CG2 3.88Å; L441-V466 HydrophobicContact CD2-CG1 4.13Å; F455-V466 HydrophobicContact CB-CG1 4.26Å; F455-V466 HydrophobicContact CD1-CB 4.42Å; F455-V466 HydrophobicContact CD1-CG1 3.61Å; F455-V466 HydrophobicContact CD2-CB 4.41Å; F455-V466 HydrophobicContact CD2-CG1 4.06Å; F455-V466 HydrophobicContact CE1-CB 4.23Å; F455-V466 HydrophobicContact CE1-CG1 3.88Å; F455-V466 HydrophobicContact CE2-CB 4.25Å; F455-V466 HydrophobicContact CE2-CG1 4.32Å; F455-V466 HydrophobicContact CG-CB 4.49Å; F455-V466 HydrophobicContact CG-CG1 3.7Å; F455-V466 HydrophobicContact CZ-CB 4.15Å; F455-V466 HydrophobicContact CZ-CG1 4.23Å; Q462-V466 HydrophobicContact CG-CG2 3.87Å; Q462-V466 WeakPolarHBondContact O-CB 3.2Å; Q462-V466 VanDerWaalsContact O-CG2 3.31Å; Q462-V466 WeakPolarHBondContact O-CG2 3.44Å; Q462-V466 PolarHBondContact O-N 2.99Å; W464-V466 PolarHBondContact O-N 3.15Å; V466-E468 VanDerWaalsContact C-N 3.33Å; V466-E468 PolarHBondContact O-N 3.19Å; V466-A469 PolarHBondContact O-N 3.47Å; V466-L470 HydrophobicContact CG1-CD1 3.98Å; V466-L470 HydrophobicContact CG1-CG 4.16Å; V466-L470 WeakPolarHBondContact O-CB 3.34Å; V466-L470 VanDerWaalsContact O-CG 3.3Å; V466-L470 WeakPolarHBondContact O-CG 3.45Å; V466-L470 PolarHBondContact O-N 3.42Å
467	A	98.6	Very high	98.7	Very high	29 Å²	29	54.4 Å²	54.4	24%	0.24	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-39.5	179.3	0	0	0	0	0	112.7	F455 I463 W464 V475	F455-A467 HydrophobicContact CE1-CB 3.91Å; F455-A467 HydrophobicContact CZ-CB 4.08Å; I463-A467 WeakPolarHBondContact O-CB 3.44Å; I463-A467 PolarHBondContact O-N 3.21Å; W464-A467 PolarHBondContact O-N 3.45Å; A467-V475 HydrophobicContact CB-CG1 4.33Å
468	E	98.6	Very high	98.7	Very high	145 Å²	145	56.1 Å²	56.1	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-78.3	-33.8	177.9	-67.5	-178.3	165.2	0	0	112.7	W464 V466	W464-E468 HydrophobicContact CE3-CG 4.48Å; W464-E468 WeakPolarHBondContact O-CG 3.2Å; W464-E468 PolarHBondContact O-N 3.01Å; V466-E468 VanDerWaalsContact C-N 3.33Å; V466-E468 PolarHBondContact O-N 3.19Å
469	A	98.8	Very high	98.6	Very high	41 Å²	41	55.3 Å²	55.3	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-80.7	-19.7	-178	0	0	0	0	0	114.1	L441 N445 R465 V466 E471	L441-A469 HydrophobicContact CD1-CB 3.85Å; L441-A469 HydrophobicContact CD2-CB 3.96Å; N445-A469 PolarHBondContact ND2-O 3.11Å; R465-A469 WeakPolarHBondContact O-CB 3.49Å; R465-A469 PolarHBondContact O-N 3.28Å; V466-A469 PolarHBondContact O-N 3.47Å; A469-E471 PolarHBondContact O-N 3.44Å
470	L	98.6	Very high	98.5	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.042	27%	0.274	C	S	.	.	S	Bend	trans	-68.4	118.5	175.3	-82.3	173.3	0	0	0	110.6	P299 I301 L441 A444 F455 V466 V472 V475	P299-L470 HydrophobicContact CG-CD2 4.25Å; I301-L470 HydrophobicContact CD1-CD2 4.1Å; L441-L470 HydrophobicContact CD2-CD2 4.04Å; L441-L470 HydrophobicContact CD2-CG 4.05Å; A444-L470 HydrophobicContact CB-CD2 3.75Å; F455-L470 HydrophobicContact CD1-CD1 3.9Å; F455-L470 HydrophobicContact CE1-CD1 4.49Å; V466-L470 HydrophobicContact CG1-CD1 3.98Å; V466-L470 HydrophobicContact CG1-CG 4.16Å; V466-L470 WeakPolarHBondContact O-CB 3.34Å; V466-L470 VanDerWaalsContact O-CG 3.3Å; V466-L470 WeakPolarHBondContact O-CG 3.45Å; V466-L470 PolarHBondContact O-N 3.42Å; L470-V472 HydrophobicContact CB-CG2 4.06Å; L470-V472 PolarHBondContact O-N 3.31Å; L470-V475 HydrophobicContact CB-CG2 4.42Å; L470-V475 HydrophobicContact CD1-CG1 4.24Å
471	E	98.6	Very high	98.3	Very high	99 Å²	99	50.5 Å²	50.5	46%	0.463	26%	0.264	S	S	.	.			trans	-83	60.9	-178	-63.8	-179.5	163.1	0	0	111.7	N445 G450 A469 V492 K493	N445-E471 HydrophobicContact CB-CB 4.48Å; N445-E471 HydrophobicContact CB-CG 4.3Å; N445-E471 PolarHBondContact OD1-N 3.12Å; G450-E471 WeakPolarHBondContact CA-O 3.48Å; A469-E471 PolarHBondContact O-N 3.44Å; E471-V492 WeakPolarHBondContact O-CG2 3.5Å; E471-K493 WeakPolarHBondContact OE2-CE 3.43Å; E471-K493 IonicContact OE2-NZ 3.24Å; E471-K493 PolarHBondContact OE2-NZ 2.87Å
472	V	98.6	Very high	98.1	Very high	22 Å²	22	50.7 Å²	50.7	13%	0.133	26%	0.257	C	S	.	.	S	Bend	trans	-130	159	-179	-59.7	0	0	0	0	110.7	G450 L470 M474 V475	G450-V472 WeakPolarHBondContact O-CA 3.28Å; L470-V472 HydrophobicContact CB-CG2 4.06Å; L470-V472 PolarHBondContact O-N 3.31Å; V472-M474 VanDerWaalsContact CG2-O 3.22Å; V472-M474 WeakPolarHBondContact CG2-O 3.34Å; V472-V475 HydrophobicContact CG2-CG2 3.48Å; V472-V475 VanDerWaalsContact CG2-CG2 3.48Å
473	G	98.3	Very high	97.8	Very high	24 Å²	24	52 Å²	52	25%	0.247	27%	0.268	C	S	.	.	S	Bend	trans	-78.7	-21.3	177.5	0	0	0	0	0	114.3	G450 L451 G490	G450-G473 PolarHBondContact O-N 3.09Å; L451-G473 PolarHBondContact O-N 2.99Å; G473-G490 WeakPolarHBondContact CA-O 3.4Å
474	M	98.6	Very high	97.7	Very high	15 Å²	15	51.9 Å²	51.9	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.5	-175.7	-58	169.6	-74.4	0	0	110.6	V328 L451 A452 G453 V472 L482 F489	V328-M474 HydrophobicContact CG1-CE 4.03Å; L451-M474 HydrophobicContact CD1-CE 3.54Å; L451-M474 HydrophobicContact CG-CE 3.65Å; L451-M474 WeakPolarHBondContact O-CE 3.48Å; L451-M474 PolarHBondContact O-N 3.38Å; A452-M474 CarbonylContact C-O 3.46Å; A452-M474 VanDerWaalsContact CA-O 3.31Å; A452-M474 WeakPolarHBondContact CA-O 3.38Å; A452-M474 HydrophobicContact CB-CE 4.22Å; G453-M474 PolarHBondContact N-O 3Å; V472-M474 VanDerWaalsContact CG2-O 3.22Å; V472-M474 WeakPolarHBondContact CG2-O 3.34Å; M474-L482 HydrophobicContact CB-CD1 4.1Å; M474-F489 HydrophobicContact CE-CD1 3.93Å; M474-F489 HydrophobicContact CE-CE1 3.88Å; M474-F489 HydrophobicContact CE-CG 4.48Å; M474-F489 HydrophobicContact CE-CZ 4.38Å; M474-F489 HydrophobicContact SD-CB 4.17Å; M474-F489 HydrophobicContact SD-CD1 3.45Å; M474-F489 WeakPolarHBondContact SD-CD1 3.07Å; M474-F489 HydrophobicContact SD-CD2 3.56Å; M474-F489 VanDerWaalsContact SD-CD2 3.56Å; M474-F489 HydrophobicContact SD-CE1 3.55Å; M474-F489 VanDerWaalsContact SD-CE1 3.55Å; M474-F489 HydrophobicContact SD-CE2 3.63Å; M474-F489 HydrophobicContact SD-CG 3.46Å; M474-F489 WeakPolarHBondContact SD-CG 3.35Å; M474-F489 HydrophobicContact SD-CZ 3.63Å
475	V	98.7	Very high	97.7	Very high	44 Å²	44	44.2 Å²	44.2	27%	0.267	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.6	-176.9	-178.2	0	0	0	0	111	G453 F455 A467 L470 V472 V477	G453-V475 CarbonylContact O-C 3.55Å; G453-V475 VanDerWaalsContact O-CA 3.28Å; G453-V475 WeakPolarHBondContact O-CA 3.22Å; F455-V475 HydrophobicContact CD1-CG1 3.96Å; F455-V475 HydrophobicContact CE1-CG1 3.66Å; A467-V475 HydrophobicContact CB-CG1 4.33Å; L470-V475 HydrophobicContact CB-CG2 4.42Å; L470-V475 HydrophobicContact CD1-CG1 4.24Å; V472-V475 HydrophobicContact CG2-CG2 3.48Å; V472-V475 VanDerWaalsContact CG2-CG2 3.48Å; V475-V477 HydrophobicContact CG1-CG2 4.12Å
476	G	98.6	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117	170	0	0	0	0	0	111.1	G453 Y454 F455	G453-G476 PolarHBondContact O-N 3.38Å; Y454-G476 CarbonylContact C-O 3.6Å; Y454-G476 WeakPolarHBondContact CA-O 3.26Å; F455-G476 PolarHBondContact N-O 3.32Å
477	V	98.8	Very high	97.6	Very high	54 Å²	54	45.6 Å²	45.6	33%	0.327	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.9	177.6	-175.3	0	0	0	0	108.5	F455 I463 V475 E479	F455-V477 HydrophobicContact CE1-CB 4.49Å; F455-V477 HydrophobicContact CE1-CG2 3.67Å; F455-V477 HydrophobicContact CE2-CG1 4.01Å; F455-V477 HydrophobicContact CZ-CB 4.24Å; F455-V477 HydrophobicContact CZ-CG1 3.83Å; F455-V477 HydrophobicContact CZ-CG2 3.65Å; I463-V477 HydrophobicContact CD1-CG1 4.43Å; I463-V477 HydrophobicContact CG1-CG1 4.14Å; I463-V477 HydrophobicContact CG2-CG1 3.71Å; V475-V477 HydrophobicContact CG1-CG2 4.12Å; V477-E479 PolarHBondContact O-N 3.27Å; V477-E479 VanDerWaalsContact O-N 3.12Å
478	N	98.5	Very high	97.6	Very high	35 Å²	35	45.9 Å²	45.9	19%	0.187	26%	0.264	C	S	.	.	S	Bend	trans	55.5	23.1	-175.6	-62.8	-53.8	0	0	0	114.4	F455 Y456 S457	F455-N478 PolarHBondContact O-N 3.19Å; Y456-N478 VanDerWaalsContact CA-OD1 3.3Å; Y456-N478 WeakPolarHBondContact CA-OD1 3.23Å; Y456-N478 HydrophobicContact CD1-CB 4.17Å; Y456-N478 VanDerWaalsContact CE1-CA 3.44Å; Y456-N478 HydrophobicContact CE1-CB 4.23Å; Y456-N478 WeakPolarHBondContact CE1-O 3.38Å; S457-N478 PolarHBondContact N-OD1 3.06Å; S457-N478 PolarHBondContact O-ND2 3.18Å; S457-N478 PolarHBondContact O-OD1 2.67Å; S457-N478 VanDerWaalsContact O-OD1 3.11Å
479	E	98.2	Very high	97.6	Very high	94 Å²	94	39.3 Å²	39.3	44%	0.439	23%	0.233	S	C	.	.			trans	-144.1	135	-178.4	178	52.9	-101.1	0	0	109.7	Y454 Y456 V477 L481	Y454-E479 WeakPolarHBondContact CD1-O 3.34Å; Y456-E479 VanDerWaalsContact OH-C 3.24Å; Y456-E479 VanDerWaalsContact OH-CA 3.28Å; Y456-E479 WeakPolarHBondContact OH-CA 3.41Å; Y456-E479 PolarHBondContact OH-N 3.38Å; V477-E479 PolarHBondContact O-N 3.27Å; V477-E479 VanDerWaalsContact O-N 3.12Å; E479-L481 WeakPolarHBondContact CG-O 3.39Å; E479-L481 PolarHBondContact OE1-N 3.35Å
480	G	95.8	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-96.3	-13	-179.8	0	0	0	0	0	113.8	S318 Y454 Y456	S318-G480 WeakPolarHBondContact CB-O 3.36Å; Y454-G480 VanDerWaalsContact CE1-O 3.29Å; Y454-G480 WeakPolarHBondContact CE1-O 3.27Å; Y456-G480 PolarHBondContact OH-N 3Å
481	L	94.9	Very high	97.5	Very high	79 Å²	79	37.2 Å²	37.2	41%	0.414	22%	0.218	S	C	.	.			trans	-115.6	108.2	-178.4	-62.2	179.2	0	0	0	111.6	A317 E479	A317-L481 HydrophobicContact CB-CD1 4.23Å; A317-L481 HydrophobicContact CB-CD2 4.08Å; A317-L481 HydrophobicContact CB-CG 3.98Å; E479-L481 WeakPolarHBondContact CG-O 3.39Å; E479-L481 PolarHBondContact OE1-N 3.35Å
482	L	93.1	Very high	97.5	Very high	38 Å²	38	34.9 Å²	34.9	20%	0.199	21%	0.21	C	C	.	.			trans	-96.7	-12.1	-176.5	-70.4	174.6	0	0	0	114.9	A452 Y454 M474 A484 F489	A452-L482 HydrophobicContact CB-CD1 4.39Å; Y454-L482 HydrophobicContact CD1-CD1 4.42Å; Y454-L482 HydrophobicContact CE1-CD1 3.66Å; Y454-L482 HydrophobicContact CE1-CG 3.82Å; M474-L482 HydrophobicContact CB-CD1 4.1Å; L482-A484 PolarHBondContact O-N 3.37Å; L482-F489 HydrophobicContact CB-CE2 4.38Å; L482-F489 HydrophobicContact CB-CZ 4.44Å
483	S	94.1	Very high	97.4	Very high	45 Å²	45	37.8 Å²	37.8	32%	0.315	22%	0.221	S	C	.	.			trans	-69	117.2	-164.2	-58.3	0	0	0	0	112.3
484	A	96.4	Very high	97.4	Very high	31 Å²	31	40.2 Å²	40.2	26%	0.256	23%	0.226	S	C	.	.			trans	-150.8	141.6	176.1	0	0	0	0	0	109.7	L482 E486 A487	L482-A484 PolarHBondContact O-N 3.37Å; A484-E486 PolarHBondContact O-N 2.71Å; A484-A487 HydrophobicContact CB-CB 4.07Å; A484-A487 PolarHBondContact O-N 3.07Å
485	A	97.8	Very high	97.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.5	-178.8	0	0	0	0	0	111.9	F150 W153 G501 S502	F150-A485 HydrophobicContact CD1-CB 3.81Å; F150-A485 HydrophobicContact CE1-CB 3.96Å; F150-A485 HydrophobicContact CG-CB 4.22Å; F150-A485 HydrophobicContact CZ-CB 4.48Å; W153-A485 HydrophobicContact CB-CB 4.19Å; A485-G501 CarbonylContact O-C 3.59Å; A485-G501 VanDerWaalsContact O-CA 3.26Å; A485-G501 WeakPolarHBondContact O-CA 3.48Å; A485-S502 PolarHBondContact O-N 2.99Å
486	E	98.2	Very high	97.4	Very high	111 Å²	111	37.8 Å²	37.8	52%	0.519	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-17.3	-178.8	-55.4	81.1	177.5	0	0	112.4	W153 A484 S502	W153-E486 HydrophobicContact CD2-CG 4.4Å; W153-E486 HydrophobicContact CE3-CB 4.44Å; W153-E486 HydrophobicContact CE3-CG 3.68Å; W153-E486 HydrophobicContact CH2-CB 4.18Å; W153-E486 HydrophobicContact CH2-CG 4.1Å; W153-E486 HydrophobicContact CZ3-CB 4.1Å; W153-E486 HydrophobicContact CZ3-CG 3.51Å; A484-E486 PolarHBondContact O-N 2.71Å; E486-S502 WeakPolarHBondContact O-CA 3.28Å; E486-S502 WeakPolarHBondContact O-CB 3.47Å
487	A	97.9	Very high	97.4	Very high	41 Å²	41	41.8 Å²	41.8	34%	0.339	24%	0.235	S	C	.	.	S	Bend	trans	-94.7	150.8	-178.6	0	0	0	0	0	111.9	A484 F489 S502	A484-A487 HydrophobicContact CB-CB 4.07Å; A484-A487 PolarHBondContact O-N 3.07Å; A487-F489 PolarHBondContact O-N 3.17Å; A487-S502 PolarHBondContact O-N 3.02Å
488	A	97.9	Very high	97.4	Very high	35 Å²	35	40.4 Å²	40.4	29%	0.289	23%	0.231	S	C	.	.			trans	-81.8	104.3	-178.6	0	0	0	0	0	110.1	R499 Y504	A488-R499 HydrophobicContact CB-CB 4.26Å; A488-R499 HydrophobicContact CB-CG 4.22Å; A488-Y504 HydrophobicContact CB-CD2 4.05Å
489	F	98.4	Very high	97.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.035	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-91.8	131.1	-179.4	-119.8	-101.9	0	0	0	111.2	V328 M474 L482 A487 R499 E500	V328-F489 HydrophobicContact CG1-CE1 3.71Å; V328-F489 HydrophobicContact CG1-CZ 4.15Å; M474-F489 HydrophobicContact CE-CD1 3.93Å; M474-F489 HydrophobicContact CE-CE1 3.88Å; M474-F489 HydrophobicContact CE-CG 4.48Å; M474-F489 HydrophobicContact CE-CZ 4.38Å; M474-F489 HydrophobicContact SD-CB 4.17Å; M474-F489 HydrophobicContact SD-CD1 3.45Å; M474-F489 WeakPolarHBondContact SD-CD1 3.07Å; M474-F489 HydrophobicContact SD-CD2 3.56Å; M474-F489 VanDerWaalsContact SD-CD2 3.56Å; M474-F489 HydrophobicContact SD-CE1 3.55Å; M474-F489 VanDerWaalsContact SD-CE1 3.55Å; M474-F489 HydrophobicContact SD-CE2 3.63Å; M474-F489 HydrophobicContact SD-CG 3.46Å; M474-F489 WeakPolarHBondContact SD-CG 3.35Å; M474-F489 HydrophobicContact SD-CZ 3.63Å; L482-F489 HydrophobicContact CB-CE2 4.38Å; L482-F489 HydrophobicContact CB-CZ 4.44Å; A487-F489 PolarHBondContact O-N 3.17Å; F489-R499 CarbonylContact O-C 3.49Å; F489-R499 VanDerWaalsContact O-CA 3.3Å; F489-R499 WeakPolarHBondContact O-CA 3.43Å; F489-R499 WeakPolarHBondContact O-CD 3.26Å; F489-E500 PolarHBondContact N-O 3.05Å; F489-E500 PolarHBondContact O-N 3.13Å
490	G	97.9	Very high	97.4	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	22%	0.215	C	C	.	.			trans	152.2	171.1	175.8	0	0	0	0	0	112.7	G473	G473-G490 WeakPolarHBondContact CA-O 3.4Å
491	G	97.8	Very high	97.5	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	22%	0.215	C	C	.	.			trans	-106.1	170.1	-171.4	0	0	0	0	0	115.2	G450 R499	G450-G491 WeakPolarHBondContact O-CA 3.19Å; G491-R499 PolarHBondContact O-NH1 2.74Å; G491-R499 PolarHBondContact O-NH2 3.26Å
492	V	98.4	Very high	97.7	Very high	50 Å²	50	34.2 Å²	34.2	30%	0.303	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	179.2	161.3	-61.2	0	0	0	0	109.4	G450 E471 Q494 S495	G450-V492 WeakPolarHBondContact O-CG2 3.5Å; G450-V492 PolarHBondContact O-N 3.25Å; E471-V492 WeakPolarHBondContact O-CG2 3.5Å; V492-Q494 PolarHBondContact O-N 2.93Å; V492-S495 WeakPolarHBondContact O-CB 3.46Å; V492-S495 PolarHBondContact O-N 3.47Å
493	K	97.8	Very high	97.9	Very high	83 Å²	83	38.3 Å²	38.3	36%	0.361	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	-132.8	-177.6	-56.2	174.8	173.5	174.1	0	111.5	N445 A447 N448 E471 S495	N445-K493 PolarHBondContact O-NZ 3.45Å; A447-K493 PolarHBondContact O-NZ 3.05Å; A447-K493 VanDerWaalsContact O-NZ 3.09Å; N448-K493 VanDerWaalsContact O-CB 3.29Å; N448-K493 WeakPolarHBondContact O-CB 3.14Å; E471-K493 WeakPolarHBondContact OE2-CE 3.43Å; E471-K493 IonicContact OE2-NZ 3.24Å; E471-K493 PolarHBondContact OE2-NZ 2.87Å; K493-S495 VanDerWaalsContact C-N 3.27Å; K493-S495 PolarHBondContact O-N 2.88Å
494	Q	98.2	Very high	98.1	Very high	74 Å²	74	41.9 Å²	41.9	35%	0.346	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.4	178.4	-57.7	-172.2	41	0	0	113.8	T273 K277 L294 N448 V449 V492 G496	T273-Q494 HydrophobicContact CG2-CB 4.22Å; K277-Q494 VanDerWaalsContact CE-OE1 3.25Å; L294-Q494 WeakPolarHBondContact CD1-O 3.46Å; N448-Q494 WeakPolarHBondContact O-CB 3.23Å; N448-Q494 WeakPolarHBondContact O-CG 3.37Å; N448-Q494 PolarHBondContact O-N 3.49Å; N448-Q494 VanDerWaalsContact O-N 3.16Å; V449-Q494 HydrophobicContact CG1-CB 4.44Å; V492-Q494 PolarHBondContact O-N 2.93Å; Q494-G496 VanDerWaalsContact C-N 3.3Å
495	S	98.3	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5	178.3	-71.1	0	0	0	0	113.9	L294 G295 V449 G450 L451 V492 K493	L294-S495 PolarHBondContact N-O 2.87Å; G295-S495 PolarHBondContact O-OG 3.43Å; V449-S495 WeakPolarHBondContact CA-OG 3.42Å; V449-S495 VanDerWaalsContact CB-OG 3.24Å; V449-S495 WeakPolarHBondContact CB-OG 3.35Å; G450-S495 PolarHBondContact N-OG 3.1Å; L451-S495 PolarHBondContact N-OG 3.34Å; V492-S495 WeakPolarHBondContact O-CB 3.46Å; V492-S495 PolarHBondContact O-N 3.47Å; K493-S495 VanDerWaalsContact C-N 3.27Å; K493-S495 PolarHBondContact O-N 2.88Å
496	G	98	Very high	98.3	Very high	9 Å²	9	40.7 Å²	40.7	9%	0.093	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-176.1	173.2	0	0	0	0	0	116.7	M292 Q494	M292-G496 CarbonylContact O-C 3.59Å; M292-G496 WeakPolarHBondContact O-CA 3.34Å; Q494-G496 VanDerWaalsContact C-N 3.3Å
497	L	98.7	Very high	98.3	Very high	85 Å²	85	38.2 Å²	38.2	45%	0.445	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.3	175.4	-65.7	172.5	0	0	0	108.4	L280 S291 M292	L280-L497 HydrophobicContact CD1-CD1 4.42Å; L280-L497 HydrophobicContact CD2-CD1 3.83Å; S291-L497 CarbonylContact C-O 3.45Å; S291-L497 VanDerWaalsContact CA-O 3.28Å; S291-L497 WeakPolarHBondContact CA-O 3.39Å; M292-L497 PolarHBondContact N-O 3.11Å; M292-L497 PolarHBondContact O-N 2.86Å
498	G	98.3	Very high	98.4	Very high	25 Å²	25	38.2 Å²	38.2	26%	0.258	19%	0.193	S	C	.	.	S	Bend	trans	76.7	-175.8	179.8	0	0	0	0	0	114.3	E508	G498-E508 WeakPolarHBondContact CA-OE1 3.32Å
499	R	98.5	Very high	98.4	Very high	60 Å²	60	36.8 Å²	36.8	23%	0.226	18%	0.18	C	C	.	.			trans	-135	151.6	177.7	-65.2	-66.1	-179.9	-91.3	5.4	111.8	A488 F489 G491 G505 E508	A488-R499 HydrophobicContact CB-CB 4.26Å; A488-R499 HydrophobicContact CB-CG 4.22Å; F489-R499 CarbonylContact O-C 3.49Å; F489-R499 VanDerWaalsContact O-CA 3.3Å; F489-R499 WeakPolarHBondContact O-CA 3.43Å; F489-R499 WeakPolarHBondContact O-CD 3.26Å; G491-R499 PolarHBondContact O-NH1 2.74Å; G491-R499 PolarHBondContact O-NH2 3.26Å; R499-G505 WeakPolarHBondContact O-CA 3.48Å; R499-E508 PolarHBondContact N-OE1 3.45Å; R499-E508 WeakPolarHBondContact O-CG 3.46Å
500	E	98.7	Very high	98.4	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.061	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-119	154.4	176.7	-54.7	-174.2	129.6	0	0	110.2	R200 K201 F489	R200-E500 WeakPolarHBondContact CD-OE2 3.47Å; R200-E500 IonicContact NH1-OE2 3.62Å; K201-E500 WeakPolarHBondContact CE-OE1 3.43Å; K201-E500 WeakPolarHBondContact CG-OE1 3.47Å; K201-E500 IonicContact NZ-OE1 2.64Å; K201-E500 PolarHBondContact NZ-OE1 3.04Å; K201-E500 IonicContact NZ-OE2 3.21Å; F489-E500 PolarHBondContact N-O 3.05Å; F489-E500 PolarHBondContact O-N 3.13Å
501	G	98.1	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	66.3	-171.2	-168.9	0	0	0	0	0	112.8	A485 G505	A485-G501 CarbonylContact O-C 3.59Å; A485-G501 VanDerWaalsContact O-CA 3.26Å; A485-G501 WeakPolarHBondContact O-CA 3.48Å; G501-G505 VanDerWaalsContact O-CA 3.29Å; G501-G505 WeakPolarHBondContact O-CA 3.4Å; G501-G505 PolarHBondContact O-N 3.4Å
502	S	98.5	Very high	98.5	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.035	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-173	-177.3	77.1	0	0	0	0	114.7	W153 A485 E486 A487 Y504	W153-S502 PolarHBondContact NE1-O 3.34Å; A485-S502 PolarHBondContact O-N 2.99Å; E486-S502 WeakPolarHBondContact O-CA 3.28Å; E486-S502 WeakPolarHBondContact O-CB 3.47Å; A487-S502 PolarHBondContact O-N 3.02Å; S502-Y504 PolarHBondContact O-N 3.19Å; S502-Y504 WeakPolarHBondContact OG-CD2 3.45Å; S502-Y504 PolarHBondContact OG-N 3.06Å
503	K	98.5	Very high	98.5	Very high	123 Å²	123	47.8 Å²	47.8	54%	0.535	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.5	169.2	67.6	177.9	-173.9	175.9	0	113.7	E157	E157-K503 WeakPolarHBondContact OE2-CA 3.4Å
504	Y	98.8	Very high	98.5	Very high	121 Å²	121	50.4 Å²	50.4	48%	0.475	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-26.6	-176.3	-58.4	-69.7	0	0	0	112.9	A488 S502 I506 D507	A488-Y504 HydrophobicContact CB-CD2 4.05Å; S502-Y504 PolarHBondContact O-N 3.19Å; S502-Y504 WeakPolarHBondContact OG-CD2 3.45Å; S502-Y504 PolarHBondContact OG-N 3.06Å; Y504-I506 VanDerWaalsContact C-N 3.26Å; Y504-I506 PolarHBondContact O-N 3.39Å; Y504-D507 WeakPolarHBondContact O-CB 3.23Å; Y504-D507 PolarHBondContact O-N 3.06Å; Y504-D507 VanDerWaalsContact O-N 3.11Å
505	G	98.7	Very high	98.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	-172.6	0	0	0	0	0	114.5	R499 G501 D507	R499-G505 WeakPolarHBondContact O-CA 3.48Å; G501-G505 VanDerWaalsContact O-CA 3.29Å; G501-G505 WeakPolarHBondContact O-CA 3.4Å; G501-G505 PolarHBondContact O-N 3.4Å; G505-D507 VanDerWaalsContact C-N 3.33Å
506	I	98.8	Very high	98.5	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.3	176.7	-161.4	166.5	0	0	0	112.1	F154 E157 V161 A207 A208 Y504 E508 Y509 L510	F154-I506 HydrophobicContact CD1-CB 4.45Å; F154-I506 HydrophobicContact CE1-CB 4.27Å; E157-I506 HydrophobicContact CB-CD1 4.09Å; V161-I506 HydrophobicContact CG2-CD1 3.6Å; V161-I506 HydrophobicContact CG2-CG1 4.38Å; A207-I506 HydrophobicContact CB-CD1 3.89Å; A208-I506 HydrophobicContact CB-CG1 4.03Å; Y504-I506 VanDerWaalsContact C-N 3.26Å; Y504-I506 PolarHBondContact O-N 3.39Å; I506-E508 PolarHBondContact O-N 3.36Å; I506-Y509 PolarHBondContact O-N 3Å; I506-Y509 VanDerWaalsContact O-N 3.1Å; I506-L510 HydrophobicContact CG1-CD1 4.15Å; I506-L510 HydrophobicContact CG2-CD1 4.33Å
507	D	98.8	Very high	98.5	Very high	58 Å²	58	58.1 Å²	58.1	31%	0.31	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.5	-26.3	-178.1	-73.9	-34.5	0	0	0	112.2	K179 R289 Y504 G505 Y509 L510	K179-D507 IonicContact NZ-OD1 2.71Å; K179-D507 PolarHBondContact NZ-OD1 2.99Å; K179-D507 IonicContact NZ-OD2 3.51Å; R289-D507 PolarHBondContact NH2-O 3.37Å; R289-D507 VanDerWaalsContact NH2-O 3.13Å; Y504-D507 WeakPolarHBondContact O-CB 3.23Å; Y504-D507 PolarHBondContact O-N 3.06Å; Y504-D507 VanDerWaalsContact O-N 3.11Å; G505-D507 VanDerWaalsContact C-N 3.33Å; D507-Y509 PolarHBondContact O-N 2.92Å; D507-L510 PolarHBondContact O-N 3.45Å; D507-L510 VanDerWaalsContact O-N 3.08Å
508	E	98.8	Very high	98.4	Very high	42 Å²	42	55.9 Å²	55.9	20%	0.196	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.7	-25.6	173.1	-64.1	-60.9	152.7	0	0	112.8	K266 R289 S291 G498 R499 I506	K266-E508 WeakPolarHBondContact CE-O 3.39Å; R289-E508 PolarHBondContact NH2-O 3.37Å; S291-E508 WeakPolarHBondContact CB-OE2 3.2Å; G498-E508 WeakPolarHBondContact CA-OE1 3.32Å; R499-E508 PolarHBondContact N-OE1 3.45Å; R499-E508 WeakPolarHBondContact O-CG 3.46Å; I506-E508 PolarHBondContact O-N 3.36Å
509	Y	98.9	Very high	98.2	Very high	5 Å²	5	58.6 Å²	58.6	2%	0.02	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-109.8	10.9	-176.4	-58.2	-85.9	0	0	0	113.5	P181 V182 A185 I187 K201 A204 A205 C210 K266 S268 I506 D507	P181-Y509 WeakPolarHBondContact CA-O 3.37Å; V182-Y509 PolarHBondContact N-O 3.24Å; A185-Y509 HydrophobicContact CB-CD1 4.28Å; A185-Y509 HydrophobicContact CB-CE1 4.06Å; I187-Y509 HydrophobicContact CD1-CE1 4.35Å; K201-Y509 PolarHBondContact O-OH 2.93Å; A204-Y509 HydrophobicContact CB-CD2 3.69Å; A204-Y509 HydrophobicContact CB-CE2 3.55Å; A205-Y509 HydrophobicContact CB-CD1 3.64Å; A205-Y509 HydrophobicContact CB-CE1 3.65Å; A205-Y509 HydrophobicContact CB-CG 4.12Å; C210-Y509 PolarHBondContact SG-O 3.43Å; K266-Y509 HydrophobicContact CG-CD1 4.1Å; K266-Y509 HydrophobicContact CG-CE1 4.06Å; S268-Y509 PolarHBondContact OG-OH 3.33Å; I506-Y509 PolarHBondContact O-N 3Å; I506-Y509 VanDerWaalsContact O-N 3.1Å; D507-Y509 PolarHBondContact O-N 2.92Å
510	L	98.9	Very high	98.1	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.1	-178.7	-67	168.9	0	0	0	113.9	V161 K179 Q180 A208 R289 I506 D507	V161-L510 HydrophobicContact CB-CD1 4.43Å; V161-L510 HydrophobicContact CG1-CD1 3.64Å; V161-L510 HydrophobicContact CG1-CD2 4.14Å; V161-L510 HydrophobicContact CG2-CD1 3.93Å; K179-L510 HydrophobicContact CB-CB 4.41Å; K179-L510 HydrophobicContact CB-CD1 4.28Å; K179-L510 HydrophobicContact CB-CD2 4.44Å; K179-L510 HydrophobicContact CD-CD1 4.14Å; Q180-L510 CarbonylContact O-C 3.49Å; Q180-L510 VanDerWaalsContact O-CA 3.32Å; Q180-L510 WeakPolarHBondContact O-CA 3.32Å; A208-L510 HydrophobicContact CB-CD2 3.79Å; A208-L510 HydrophobicContact CB-CG 4.01Å; R289-L510 VanDerWaalsContact CZ-O 3.23Å; R289-L510 PolarHBondContact NH1-O 3.13Å; R289-L510 VanDerWaalsContact NH2-N 3.16Å; R289-L510 PolarHBondContact NH2-O 2.73Å; I506-L510 HydrophobicContact CG1-CD1 4.15Å; I506-L510 HydrophobicContact CG2-CD1 4.33Å; D507-L510 PolarHBondContact O-N 3.45Å; D507-L510 VanDerWaalsContact O-N 3.08Å
511	E	98.6	Very high	97.6	Very high	89 Å²	89	66.8 Å²	66.8	42%	0.416	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.9	166.3	-73.9	-59.2	158.9	0	0	111.7	K179 Q180 V182 R289	K179-E511 CarbonylContact C-O 3.29Å; K179-E511 WeakPolarHBondContact CA-O 3.49Å; Q180-E511 PolarHBondContact N-O 3.06Å; Q180-E511 PolarHBondContact O-N 3.16Å; V182-E511 HydrophobicContact CG1-CG 3.96Å; R289-E511 WeakPolarHBondContact CD-OE1 3.36Å; R289-E511 IonicContact CZ-OE1 3.56Å; R289-E511 IonicContact NE-OE1 3.66Å; R289-E511 PolarHBondContact NE-OE1 3Å; R289-E511 IonicContact NH1-OE1 2.69Å; R289-E511 PolarHBondContact NH1-OE1 3.32Å; R289-E511 IonicContact NH1-OE2 3.93Å; R289-E511 PolarHBondContact NH1-OE2 3.03Å
512	V	98.6	Very high	96.6	Very high	85 Å²	85	74 Å²	74	52%	0.515	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.6	170.6	-179.1	0	0	0	0	109.1	L177 L178 K179	L177-V512 HydrophobicContact CB-CG1 4.16Å; L178-V512 CarbonylContact O-C 3.41Å; L178-V512 WeakPolarHBondContact O-CA 3.39Å; K179-V512 HydrophobicContact CG-CG2 4.34Å
513	K	98.6	Very high	96.5	Very high	110 Å²	110	77.5 Å²	77.5	48%	0.478	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.7	174.4	178.6	176.3	-70.2	171.9	0	110	L177 L178	L177-K513 WeakPolarHBondContact CA-O 3.38Å; L178-K513 HydrophobicContact CB-CB 4.41Å; L178-K513 PolarHBondContact N-O 3.28Å; L178-K513 PolarHBondContact O-N 3.25Å
514	Y	98.3	Very high	96.4	Very high	138 Å²	138	75.1 Å²	75.1	54%	0.541	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.3	170.4	164.9	-130	0	0	0	111	L175 L177 C516	L175-Y514 HydrophobicContact CB-CE2 4.04Å; L175-Y514 HydrophobicContact CD2-CE2 3.89Å; L175-Y514 WeakPolarHBondContact CD2-OH 3.44Å; L175-Y514 HydrophobicContact CG-CE2 4.43Å; L177-Y514 HydrophobicContact CD2-CD2 3.94Å; L177-Y514 HydrophobicContact CD2-CG 4.34Å; Y514-C516 HydrophobicContact CE1-CB 4.39Å; Y514-C516 HydrophobicContact CE2-CB 4.1Å; Y514-C516 WeakPolarHBondContact OH-CB 3.49Å
515	M	98.3	Very high	96.3	Very high	77 Å²	77	72.6 Å²	72.6	38%	0.379	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	114	174.5	-178.2	168.8	74.1	0	0	110	L176	L176-M515 HydrophobicContact CB-CB 4.29Å; L176-M515 HydrophobicContact CB-CE 4.19Å; L176-M515 HydrophobicContact CD1-CE 3.31Å; L176-M515 HydrophobicContact CG-CE 4.36Å; L176-M515 PolarHBondContact N-O 3.41Å; L176-M515 PolarHBondContact O-N 2.89Å
516	C	97.8	Very high	96.1	Very high	55 Å²	55	76.8 Å²	76.8	37%	0.372	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	100.1	171.7	-177.1	0	0	0	0	109.7	Y514 G518	Y514-C516 HydrophobicContact CE1-CB 4.39Å; Y514-C516 HydrophobicContact CE2-CB 4.1Å; Y514-C516 WeakPolarHBondContact OH-CB 3.49Å; C516-G518 PolarHBondContact O-N 2.9Å
517	F	97.4	Very high	96	Very high	114 Å²	114	81.2 Å²	81.2	50%	0.5	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	93.9	178.1	-162.2	-75.7	0	0	0	109.8	R173 R174 L176 L520	R173-F517 CarbonylContact C-O 3.55Å; R173-F517 WeakPolarHBondContact CA-O 3.13Å; R173-F517 WeakPolarHBondContact CB-O 3.28Å; R174-F517 HydrophobicContact CB-CB 4.48Å; R174-F517 PolarHBondContact N-O 3.33Å; R174-F517 PolarHBondContact O-N 3Å; L176-F517 HydrophobicContact CD1-CB 4.42Å; F517-L520 HydrophobicContact CD1-CD1 4.25Å; F517-L520 HydrophobicContact CD1-CD2 3.81Å; F517-L520 HydrophobicContact CD1-CG 4.15Å; F517-L520 HydrophobicContact CE1-CD2 3.69Å; F517-L520 HydrophobicContact CE1-CG 4.49Å
518	G	96.5	Very high	95.8	Very high	37 Å²	37	82.7 Å²	82.7	38%	0.381	45%	0.453	S	S	.	.			trans	-96	-170.2	-179.7	0	0	0	0	0	114.2	C516 L520	C516-G518 PolarHBondContact O-N 2.9Å; G518-L520 VanDerWaalsContact C-N 3.26Å; G518-L520 PolarHBondContact O-N 2.8Å
519	G	94.9	Very high	95.6	Very high	83 Å²	83	85.6 Å²	85.6	86%	0.856	47%	0.472	S	S	*	.			trans	73.6	19.5	-179.7	0	0	0	0	0	113.4	D172	D172-G519 PolarHBondContact O-N 3.4Å
520	L	95.3	Very high	95.3	Very high	51 Å²	51	91.8 Å²	91.8	27%	0.267	51%	0.506	S	S	.	.			trans	-87.7	144	178.4	-55.7	178.9	0	0	0	109.9	D172 R174 F517 G518	D172-L520 WeakPolarHBondContact O-CB 3.46Å; D172-L520 PolarHBondContact O-N 2.89Å; D172-L520 VanDerWaalsContact O-N 3.14Å; R174-L520 HydrophobicContact CB-CD1 4.44Å; R174-L520 HydrophobicContact CG-CD1 3.62Å; F517-L520 HydrophobicContact CD1-CD1 4.25Å; F517-L520 HydrophobicContact CD1-CD2 3.81Å; F517-L520 HydrophobicContact CD1-CG 4.15Å; F517-L520 HydrophobicContact CE1-CD2 3.69Å; F517-L520 HydrophobicContact CE1-CG 4.49Å; G518-L520 VanDerWaalsContact C-N 3.26Å; G518-L520 PolarHBondContact O-N 2.8Å
521	K	88.9	Confident	95	Very high	194 Å²	194	98.8 Å²	98.8	84%	0.843	55%	0.545	S	S	*	.			trans	-78.8	137	164.8	-65.7	-176.7	-179.4	-179.5	0	108.1
522	P	76.9	Confident	94.7	Very high	152 Å²	152	99.6 Å²	99.6	99%	0.987	56%	0.556	S	S	*	*			trans	-50.6	0	-179.6	-28.7	35.5	0	0	0	114.3	A171	A171-P522 HydrophobicContact CB-CB 4.19Å; A171-P522 HydrophobicContact CB-CG 4.36Å

Retrieved 522 of 522 residues in 398.2 ms (Link to these results)

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