A0A087XP21_POEFO Loading...

Thioredoxin-dependent peroxide reductase, mitochondrial

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively. Plays a role in cell protection against oxidative stress by detoxifying peroxides. Acts synergistically with MAP3K13 to regulate the activation of NF-kappa-B in the cytosol. Required for the maintenance of physical strength.

AlphaFold DB , UniProt , Accession A0A087XP21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	35.1	Very low	242 Å²	242	155.5 Å²	155.5	100%	1.192	85%	0.848	S	S	*	*				0	107	0	-69.1	-170.6	178.9	0	0	105.7
2	A	37.5	Very low	34.9	Very low	99 Å²	99	152.1 Å²	152.1	82%	0.818	84%	0.844	S	S	*	*				125.5	130.5	57.4	0	0	0	0	0	104.5
3	A	36.9	Very low	34.5	Very low	90 Å²	90	151.3 Å²	151.3	74%	0.744	85%	0.845	S	S	*	*			trans	-72	175.4	-169.8	0	0	0	0	0	114.4
4	T	36.9	Very low	34.2	Very low	130 Å²	130	153.9 Å²	153.9	80%	0.798	85%	0.848	S	S	*	*				161.5	105.3	129.9	-58.2	0	0	0	0	107.9
5	V	38.9	Very low	33.9	Very low	142 Å²	142	152.9 Å²	152.9	86%	0.861	85%	0.847	S	S	*	*				69.5	123.9	78	-178.8	0	0	0	0	115.7
6	G	31.4	Very low	33.8	Very low	73 Å²	73	149.8 Å²	149.8	75%	0.753	85%	0.848	S	S	*	*			trans	124.3	138.7	148.8	0	0	0	0	0	114.4
7	R	35.1	Very low	33.9	Very low	239 Å²	239	146.9 Å²	146.9	90%	0.902	85%	0.847	S	S	*	*			cis	-169.6	149.5	-8.6	-160.9	175.9	-167.9	-170.2	3.1	106
8	L	34.2	Very low	33.7	Very low	138 Å²	138	143.1 Å²	143.1	72%	0.723	85%	0.845	S	S	*	*			trans	-54.6	148.5	173.4	-79.5	82.2	0	0	0	113.2
9	F	31.6	Very low	33.4	Very low	200 Å²	200	139.8 Å²	139.8	88%	0.877	84%	0.844	S	S	*	*			trans	-145.1	117	133.3	-100.8	-80.2	0	0	0	111
10	R	32.9	Very low	33	Very low	225 Å²	225	141.1 Å²	141.1	85%	0.849	85%	0.845	S	S	*	*			trans	-80.4	137.4	161.5	-83	178	168.8	-175.5	-3.5	107.8
11	T	31.7	Very low	32.9	Very low	132 Å²	132	144.2 Å²	144.2	81%	0.81	85%	0.848	S	S	*	*			trans	-132.8	103.3	156.4	35.1	0	0	0	0	109.3
12	S	31.9	Very low	32.4	Very low	115 Å²	115	138.7 Å²	138.7	80%	0.804	83%	0.827	S	S	*	*			trans	-68.3	131.6	161.4	34.7	0	0	0	0	110.2
13	V	30.2	Very low	32.1	Very low	142 Å²	142	138.9 Å²	138.9	86%	0.861	83%	0.829	S	S	*	*			trans	-109.8	118.2	165.9	175.8	0	0	0	0	107.9
14	Q	30.5	Very low	31.9	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	83%	0.834	S	S	*	*			trans	-84.4	151.1	175.5	-103.7	170.8	-51.2	0	0	111.4
15	V	29.1	Very low	31.6	Very low	139 Å²	139	137.9 Å²	137.9	84%	0.842	83%	0.834	S	S	*	*			trans	-56.5	140.4	173.5	176.6	0	0	0	0	112.3
16	A	33.1	Very low	31.3	Very low	103 Å²	103	137.6 Å²	137.6	85%	0.851	84%	0.836	S	S	*	*			trans	-124.1	109.8	159.5	0	0	0	0	0	109.6
17	A	34.5	Very low	31.3	Very low	101 Å²	101	142.6 Å²	142.6	84%	0.835	84%	0.84	S	S	*	*			trans	-81.9	119.5	167.5	0	0	0	0	0	108.7
18	G	30	Very low	31.1	Very low	78 Å²	78	140.6 Å²	140.6	80%	0.804	84%	0.84	S	S	*	*			trans	-120	99.9	174.1	0	0	0	0	0	109.9
19	G	28	Very low	30.9	Very low	81 Å²	81	137.1 Å²	137.1	84%	0.835	84%	0.838	S	S	*	*			trans	-77.4	136.9	172.2	0	0	0	0	0	111.3
20	L	26.9	Very low	30.8	Very low	164 Å²	164	135 Å²	135	86%	0.859	84%	0.841	S	S	*	*			trans	-105.3	106	170	-160.2	70.9	0	0	0	108.5	V22	L20-V22 HydrophobicContact CG-CG2 4.47Å
21	K	29.2	Very low	30.6	Very low	208 Å²	208	128.1 Å²	128.1	90%	0.904	84%	0.841	S	S	*	*			trans	-88.1	125	165.3	-78.5	-177.3	175.6	-180	0	107.9
22	V	30.2	Very low	30.6	Very low	126 Å²	126	125.5 Å²	125.5	76%	0.764	84%	0.84	S	S	*	*			trans	-124.4	106.6	158.9	-177.4	0	0	0	0	106.8	L20	L20-V22 HydrophobicContact CG-CG2 4.47Å
23	A	30.2	Very low	31.2	Very low	103 Å²	103	125.6 Å²	125.6	85%	0.851	85%	0.848	S	S	*	*			trans	-103.8	124	167	0	0	0	0	0	107.2
24	A	32.8	Very low	31.6	Very low	104 Å²	104	122.8 Å²	122.8	86%	0.86	84%	0.839	S	S	*	*			trans	-125.8	106.7	164.3	0	0	0	0	0	107.1
25	A	31.9	Very low	32.1	Very low	95 Å²	95	126.1 Å²	126.1	79%	0.785	84%	0.844	S	S	*	*			trans	-100.8	131.6	168.7	0	0	0	0	0	108
26	C	30.8	Very low	32.5	Very low	136 Å²	136	125.5 Å²	125.5	92%	0.919	84%	0.84	S	S	*	*			trans	-138.8	122.4	156.9	-89.3	0	0	0	0	107.5
27	Q	32.4	Very low	32.9	Very low	177 Å²	177	128.8 Å²	128.8	83%	0.827	84%	0.842	S	S	*	*			trans	-100.5	174.2	172.6	-73.4	-173.2	-21.1	0	0	110.4
28	H	30.1	Very low	33.1	Very low	197 Å²	197	129.2 Å²	129.2	91%	0.912	84%	0.839	S	S	*	*			trans	106	120.2	177.1	-60.8	87.3	0	0	0	111.9
29	G	29.8	Very low	34	Very low	65 Å²	65	129.1 Å²	129.1	67%	0.67	83%	0.831	S	S	*	*			cis	174.8	161.8	-0.5	0	0	0	0	0	110.7
30	V	30.9	Very low	34.7	Very low	156 Å²	156	130.7 Å²	130.7	95%	0.945	83%	0.826	S	S	*	*			trans	68.5	118.3	151	-144	0	0	0	0	121
31	G	29.1	Very low	35.7	Very low	81 Å²	81	129.3 Å²	129.3	84%	0.835	82%	0.824	S	S	*	*			trans	107.6	110.8	131.3	0	0	0	0	0	117.7
32	G	31.7	Very low	36.6	Very low	77 Å²	77	126.4 Å²	126.4	79%	0.794	82%	0.818	S	S	*	*			trans	139.1	95	160.2	0	0	0	0	0	114.2	A34	G32-A34 PolarHBondContact O-N 3.12Å; G32-A34 VanDerWaalsContact O-N 3.12Å
33	A	43.2	Very low	37.4	Very low	117 Å²	117	128.9 Å²	128.9	97%	0.967	82%	0.821	S	S	*	*			trans	-69.4	102.9	170	0	0	0	0	0	110.1
34	A	39.4	Very low	38	Very low	83 Å²	83	131.8 Å²	131.8	69%	0.686	82%	0.815	S	S	*	*			trans	-113.6	110.4	164.2	0	0	0	0	0	108.5	G32 V36	G32-A34 PolarHBondContact O-N 3.12Å; G32-A34 VanDerWaalsContact O-N 3.12Å; A34-V36 PolarHBondContact O-N 3.48Å
35	R	40.8	Very low	38.7	Very low	257 Å²	257	130.5 Å²	130.5	97%	0.97	80%	0.8	S	S	*	*			trans	-64.5	96.9	168.9	-109.7	180	174.4	-172.3	-1.2	108	L37	R35-L37 PolarHBondContact O-N 2.98Å
36	V	37	Very low	39.3	Very low	127 Å²	127	135 Å²	135	77%	0.77	80%	0.802	S	S	*	*			trans	-82.9	111.4	167.2	-179.8	0	0	0	0	107.2	A34 S38	A34-V36 PolarHBondContact O-N 3.48Å; V36-S38 PolarHBondContact O-N 3.03Å
37	L	40.9	Very low	40.1	Very low	172 Å²	172	136.8 Å²	136.8	90%	0.901	79%	0.794	S	S	*	*			trans	-65.7	100.4	168.4	-74.9	161.7	0	0	0	107.9	R35 A39	R35-L37 PolarHBondContact O-N 2.98Å; L37-A39 PolarHBondContact O-N 3.14Å; L37-A39 VanDerWaalsContact O-N 3.14Å
38	S	40.3	Very low	40.8	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	79%	0.791	S	S	*	*			trans	-67.6	105	168.1	164.3	0	0	0	0	108.2	V36	V36-S38 PolarHBondContact O-N 3.03Å
39	A	48.6	Very low	41.8	Very low	77 Å²	77	130.5 Å²	130.5	64%	0.636	79%	0.787	S	S	*	*			trans	-67.1	137.9	162.4	0	0	0	0	0	108.3	L37 V41	L37-A39 PolarHBondContact O-N 3.14Å; L37-A39 VanDerWaalsContact O-N 3.14Å; A39-V41 PolarHBondContact O-N 2.9Å; A39-V41 VanDerWaalsContact O-N 3.1Å
40	P	42.4	Very low	42.4	Very low	113 Å²	113	129.8 Å²	129.8	73%	0.734	78%	0.779	S	S	*	*			trans	-68.1	115.7	175.4	28.2	-30	0	0	0	107.5	L42	P40-L42 VanDerWaalsContact C-N 3.3Å; P40-L42 PolarHBondContact O-N 3.1Å
41	V	47.3	Very low	43.4	Very low	135 Å²	135	127.5 Å²	127.5	82%	0.818	77%	0.77	S	S	*	*			trans	-64.4	100.2	166.4	175.4	0	0	0	0	105.7	A39 Q43	A39-V41 PolarHBondContact O-N 2.9Å; A39-V41 VanDerWaalsContact O-N 3.1Å; V41-Q43 PolarHBondContact O-N 2.83Å
42	L	49.4	Very low	44.3	Very low	148 Å²	148	127.3 Å²	127.3	78%	0.775	76%	0.756	S	S	*	*			trans	-64.7	93.1	170.4	-140.8	93.3	0	0	0	105.9	P40 K44	P40-L42 VanDerWaalsContact C-N 3.3Å; P40-L42 PolarHBondContact O-N 3.1Å; L42-K44 PolarHBondContact O-N 2.79Å
43	Q	46.7	Very low	45.4	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	76%	0.763	S	S	*	*			trans	-65.6	90.7	173.3	-165.8	170.1	-14.7	0	0	105.9	V41 S45	V41-Q43 PolarHBondContact O-N 2.83Å; Q43-S45 PolarHBondContact O-N 2.83Å
44	K	42.8	Very low	46.2	Very low	164 Å²	164	139.9 Å²	139.9	71%	0.713	75%	0.754	S	S	*	*			trans	-57.3	100.1	166.7	-85.5	-178.7	175.9	179.1	0	105.2	L42 F46	L42-K44 PolarHBondContact O-N 2.79Å; K44-F46 WeakPolarHBondContact O-CD2 3.39Å; K44-F46 PolarHBondContact O-N 2.8Å
45	S	47.5	Very low	48.1	Very low	78 Å²	78	138.6 Å²	138.6	55%	0.545	74%	0.744	S	S	.	*			trans	-52.2	99.9	159.5	179.3	0	0	0	0	105.4	Q43 F47	Q43-S45 PolarHBondContact O-N 2.83Å; S45-F47 PolarHBondContact O-N 2.78Å
46	F	44.9	Very low	50.6	Low	190 Å²	190	126.8 Å²	126.8	83%	0.833	70%	0.702	S	S	*	*			trans	-64.6	93.9	161.8	-77.6	-90.6	0	0	0	104.1	K44 S48	K44-F46 WeakPolarHBondContact O-CD2 3.39Å; K44-F46 PolarHBondContact O-N 2.8Å; F46-S48 PolarHBondContact O-N 2.88Å
47	F	46.7	Very low	53.5	Low	173 Å²	173	122.5 Å²	122.5	76%	0.759	68%	0.679	S	S	*	*			trans	-57	100.2	158.4	-71.1	-84.1	0	0	0	104.8	S45 T49	S45-F47 PolarHBondContact O-N 2.78Å; F47-T49 VanDerWaalsContact C-N 3.27Å; F47-T49 PolarHBondContact O-N 3.19Å
48	S	46.6	Very low	56.2	Low	108 Å²	108	117.3 Å²	117.3	76%	0.755	65%	0.654	S	S	*	*			trans	-55.8	104.8	162.1	177.8	0	0	0	0	104.7	F46 G50	F46-S48 PolarHBondContact O-N 2.88Å; S48-G50 PolarHBondContact O-N 3.01Å
49	T	51.1	Low	59	Low	134 Å²	134	117 Å²	117	82%	0.822	65%	0.648	S	S	*	*			trans	-66.6	73.6	157.3	51.3	0	0	0	0	105	F47 S51	F47-T49 VanDerWaalsContact C-N 3.27Å; F47-T49 PolarHBondContact O-N 3.19Å; T49-S51 PolarHBondContact O-N 3.06Å
50	G	43.7	Very low	61.3	Low	50 Å²	50	118.3 Å²	118.3	52%	0.515	64%	0.641	S	S	.	*			trans	-52.9	112.9	171.5	0	0	0	0	0	105.3	S48 S52	S48-G50 PolarHBondContact O-N 3.01Å; G50-S52 VanDerWaalsContact C-N 3.32Å; G50-S52 PolarHBondContact O-N 2.92Å
51	S	51.5	Low	64	Low	108 Å²	108	117.4 Å²	117.4	76%	0.755	64%	0.635	S	S	*	*			trans	-45.3	108.2	166.8	48.4	0	0	0	0	105.3	T49 R53	T49-S51 PolarHBondContact O-N 3.06Å; S51-R53 PolarHBondContact O-N 3.26Å
52	S	48	Very low	66.4	Low	77 Å²	77	111.5 Å²	111.5	54%	0.538	60%	0.6	S	S	.	*			trans	-60.4	123.4	-170.2	-168.6	0	0	0	0	107.2	G50 W54	G50-S52 VanDerWaalsContact C-N 3.32Å; G50-S52 PolarHBondContact O-N 2.92Å; S52-W54 PolarHBondContact O-N 3.37Å; S52-W54 PolarHBondContact OG-NE1 3.32Å
53	R	55.2	Low	68.8	Low	250 Å²	250	105.6 Å²	105.6	94%	0.943	57%	0.571	S	S	*	*			trans	-72.2	56.3	-175	-58.2	-174.3	-166.7	-175	3.5	110.1	S51 A55	S51-R53 PolarHBondContact O-N 3.26Å; R53-A55 PolarHBondContact O-N 3.27Å
54	W	60	Low	71.2	Confident	207 Å²	207	100 Å²	100	78%	0.784	56%	0.561	S	S	*	*			trans	-78.4	112.2	171.2	-59.4	95.7	0	0	0	106.6	S52	S52-W54 PolarHBondContact O-N 3.37Å; S52-W54 PolarHBondContact OG-NE1 3.32Å
55	A	77.6	Confident	73.8	Confident	56 Å²	56	92.8 Å²	92.8	46%	0.463	53%	0.529	S	S	.	.			trans	-55.3	154.6	162.8	0	0	0	0	0	109.3	R53 A57 D164	R53-A55 PolarHBondContact O-N 3.27Å; A55-A57 PolarHBondContact O-N 3.34Å; A55-D164 WeakPolarHBondContact CA-O 3.37Å
56	A	94.4	Very high	76.2	Confident	10 Å²	10	96.3 Å²	96.3	8%	0.083	54%	0.535	C	S	.	.			trans	-48.9	127.6	174.5	0	0	0	0	0	111.3	P63 D164 Y165 F180	A56-P63 HydrophobicContact CB-CG 4.07Å; A56-D164 PolarHBondContact N-O 2.82Å; A56-Y165 HydrophobicContact CB-CD1 3.78Å; A56-Y165 HydrophobicContact CB-CE1 4.36Å; A56-Y165 HydrophobicContact CB-CG 4.33Å; A56-F180 HydrophobicContact CB-CD1 4.03Å; A56-F180 HydrophobicContact CB-CE1 3.54Å; A56-F180 HydrophobicContact CB-CZ 4.19Å
57	A	97.7	Very high	78.8	Confident	37 Å²	37	88 Å²	88	31%	0.306	50%	0.501	S	S	.	.			trans	-138.5	140.5	-178.4	0	0	0	0	0	110.3	A55 Q60 V188	A55-A57 PolarHBondContact O-N 3.34Å; A57-Q60 HydrophobicContact CB-CB 4.35Å; A57-Q60 HydrophobicContact CB-CG 4Å; A57-Q60 WeakPolarHBondContact O-CB 3.17Å; A57-Q60 PolarHBondContact O-N 2.92Å; A57-Q60 VanDerWaalsContact O-N 3.09Å; A57-V188 WeakPolarHBondContact O-CB 3.25Å
58	V	98.4	Very high	81.3	Confident	62 Å²	62	81.6 Å²	81.6	38%	0.376	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	142.1	175.3	179.3	0	0	0	0	109.6	Q60 V188 K189 M191	V58-Q60 PolarHBondContact O-N 2.87Å; V58-V188 CarbonylContact C-O 3.58Å; V58-V188 WeakPolarHBondContact CA-O 3.34Å; V58-V188 HydrophobicContact CG2-CG1 4.36Å; V58-K189 WeakPolarHBondContact CG1-O 3.44Å; V58-M191 HydrophobicContact CG2-CG 3.93Å; V58-M191 HydrophobicContact CG2-SD 4.35Å
59	T	97.9	Very high	83.8	Confident	102 Å²	102	76.5 Å²	76.5	63%	0.626	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-8	-172.7	77.1	0	0	0	0	116	V188	T59-V188 PolarHBondContact N-O 2.8Å
60	Q	98.2	Very high	86	Confident	105 Å²	105	70.1 Å²	70.1	49%	0.491	40%	0.402	S	S	.	.	S	Bend	trans	-98.7	156.5	177.6	-58.6	-57.1	-51.7	0	0	111.5	A57 V58 A62 V188	A57-Q60 HydrophobicContact CB-CB 4.35Å; A57-Q60 HydrophobicContact CB-CG 4Å; A57-Q60 WeakPolarHBondContact O-CB 3.17Å; A57-Q60 PolarHBondContact O-N 2.92Å; A57-Q60 VanDerWaalsContact O-N 3.09Å; V58-Q60 PolarHBondContact O-N 2.87Å; Q60-A62 PolarHBondContact O-N 2.78Å; Q60-V188 PolarHBondContact O-N 2.83Å
61	P	98.1	Very high	88.6	Confident	95 Å²	95	70.3 Å²	70.3	62%	0.617	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-53.9	135.7	167.9	-24.3	34.6	0	0	0	111.1	G186	P61-G186 CarbonylContact C-O 3.49Å; P61-G186 WeakPolarHBondContact CA-O 3.48Å
62	A	98.4	Very high	90.6	Very high	10 Å²	10	70.2 Å²	70.2	8%	0.083	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.2	139.2	174.8	0	0	0	0	0	110.2	Q60 G64 L80 I182 G186 V188	Q60-A62 PolarHBondContact O-N 2.78Å; A62-G64 PolarHBondContact O-N 3.06Å; A62-L80 HydrophobicContact CB-CD2 3.98Å; A62-I182 HydrophobicContact CB-CD1 3.68Å; A62-I182 HydrophobicContact CB-CG1 3.96Å; A62-I182 HydrophobicContact CB-CG2 4.04Å; A62-G186 PolarHBondContact N-O 2.6Å; A62-V188 HydrophobicContact CB-CG2 3.74Å
63	P	98.3	Very high	92.7	Very high	24 Å²	24	68.6 Å²	68.6	16%	0.156	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-55.6	130.8	174	-24.2	33.3	0	0	0	111.3	A56 D164 Y165	A56-P63 HydrophobicContact CB-CG 4.07Å; P63-D164 HydrophobicContact CB-CB 3.94Å; P63-D164 WeakPolarHBondContact CG-O 3.38Å; P63-Y165 HydrophobicContact CB-CD2 4.21Å; P63-Y165 HydrophobicContact CB-CE2 3.95Å; P63-Y165 HydrophobicContact CG-CD2 4.35Å; P63-Y165 HydrophobicContact CG-CE2 4.32Å; P63-Y165 WeakPolarHBondContact O-CE2 3.49Å; P63-Y165 PolarHBondContact O-OH 2.69Å; P63-Y165 VanDerWaalsContact O-OH 3.07Å
64	G	97.5	Very high	94.7	Very high	59 Å²	59	61.8 Å²	61.8	61%	0.608	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-66.4	143.3	179.2	0	0	0	0	0	111.8	A62	A62-G64 PolarHBondContact O-N 3.06Å
65	F	98.3	Very high	96.6	Very high	13 Å²	13	56 Å²	56	6%	0.057	34%	0.335	C	S	.	.			trans	-136	154.8	172.1	65.5	-97.5	0	0	0	111.1	S79 L80 F83 L88 L90 L154 I161 Y165	F65-S79 CarbonylContact O-C 3.55Å; F65-S79 WeakPolarHBondContact O-CA 3.41Å; F65-S79 VanDerWaalsContact O-CB 3.27Å; F65-S79 WeakPolarHBondContact O-CB 3.39Å; F65-L80 HydrophobicContact CD1-CB 3.85Å; F65-L80 HydrophobicContact CE1-CB 3.7Å; F65-L80 HydrophobicContact CE1-CD1 3.88Å; F65-L80 HydrophobicContact CE1-CG 4.34Å; F65-L80 HydrophobicContact CG-CB 4.42Å; F65-L80 HydrophobicContact CZ-CB 4.16Å; F65-L80 PolarHBondContact O-N 3.33Å; F65-L80 VanDerWaalsContact O-N 3.08Å; F65-F83 HydrophobicContact CZ-CD2 4.44Å; F65-F83 HydrophobicContact CZ-CE2 4.19Å; F65-L88 HydrophobicContact CE1-CD2 4.41Å; F65-L88 HydrophobicContact CZ-CD2 4.35Å; F65-L90 HydrophobicContact CD1-CD2 4.29Å; F65-L90 HydrophobicContact CE1-CD1 4.22Å; F65-L90 HydrophobicContact CE1-CD2 3.88Å; F65-L90 HydrophobicContact CZ-CD1 4.2Å; F65-L154 HydrophobicContact CD2-CD2 3.73Å; F65-L154 HydrophobicContact CE2-CD2 3.87Å; F65-L154 HydrophobicContact CG-CD2 4.49Å; F65-I161 HydrophobicContact CB-CD1 3.91Å; F65-I161 HydrophobicContact CB-CG1 3.92Å; F65-I161 HydrophobicContact CB-CG2 3.96Å; F65-I161 HydrophobicContact CG-CG2 4.45Å; F65-Y165 HydrophobicContact CD1-CE2 4.23Å
66	K	98.4	Very high	97.5	Very high	152 Å²	152	57.4 Å²	57.4	66%	0.661	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	122.9	165	-178	177.7	178.6	-179.4	0	108.7	L78	K66-L78 CarbonylContact C-O 3.57Å; K66-L78 VanDerWaalsContact CA-O 3.3Å; K66-L78 WeakPolarHBondContact CA-O 3.3Å
67	A	98.5	Very high	97.7	Very high	16 Å²	16	61.6 Å²	61.6	13%	0.132	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	166.2	178.4	0	0	0	0	0	111.7	L78 L154 S155 I161	A67-L78 PolarHBondContact N-O 3.37Å; A67-L78 PolarHBondContact O-N 2.86Å; A67-L154 HydrophobicContact CB-CD1 3.82Å; A67-L154 HydrophobicContact CB-CD2 4.34Å; A67-L154 HydrophobicContact CB-CG 3.96Å; A67-L154 WeakPolarHBondContact O-CD1 3.44Å; A67-S155 WeakPolarHBondContact CB-O 3.38Å; A67-I161 HydrophobicContact CB-CD1 3.79Å
68	T	98.8	Very high	97.7	Very high	39 Å²	39	61.4 Å²	61.4	24%	0.239	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.5	175	-52.6	0	0	0	0	110.1	F75 D77 H130 S155	T68-F75 HydrophobicContact CG2-CB 4.09Å; T68-D77 PolarHBondContact OG1-OD1 2.88Å; T68-D77 VanDerWaalsContact OG1-OD1 3.12Å; T68-H130 HydrophobicContact CG2-CB 4.08Å; T68-S155 WeakPolarHBondContact O-CB 3.44Å; T68-S155 PolarHBondContact O-N 3.27Å
69	A	98.8	Very high	97.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.7	173.5	0	0	0	0	0	111.3	F75 K76 L78 P152 L153 L154	A69-F75 WeakPolarHBondContact O-CA 3.4Å; A69-K76 PolarHBondContact N-O 3.15Å; A69-K76 PolarHBondContact O-N 3.31Å; A69-L78 HydrophobicContact CB-CB 4.49Å; A69-L78 HydrophobicContact CB-CD1 3.61Å; A69-L78 HydrophobicContact CB-CG 4.07Å; A69-P152 HydrophobicContact CB-CB 4.34Å; A69-L153 CarbonylContact C-O 3.55Å; A69-L153 WeakPolarHBondContact CA-O 3.44Å; A69-L153 WeakPolarHBondContact CB-O 3.44Å; A69-L154 HydrophobicContact CB-CB 4.46Å; A69-L154 HydrophobicContact CB-CD1 3.88Å
70	V	98.6	Very high	97.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.5	163.5	-169.9	0	0	0	0	108.4	E74 F75 H130 H133 L134 I137 P152 L153	V70-E74 WeakPolarHBondContact CA-O 3.49Å; V70-F75 HydrophobicContact CG2-CD1 3.95Å; V70-F75 HydrophobicContact CG2-CE1 3.9Å; V70-H130 HydrophobicContact CG2-CB 4.02Å; V70-H130 WeakPolarHBondContact CG2-O 3.47Å; V70-H133 HydrophobicContact CB-CB 4.35Å; V70-H133 HydrophobicContact CG2-CB 3.61Å; V70-L134 HydrophobicContact CG1-CB 4.31Å; V70-L134 HydrophobicContact CG1-CD1 4.05Å; V70-L134 HydrophobicContact CG2-CB 4.29Å; V70-I137 HydrophobicContact CB-CD1 4.05Å; V70-I137 HydrophobicContact CG1-CD1 3.64Å; V70-P152 WeakPolarHBondContact O-CA 3.11Å; V70-L153 PolarHBondContact N-O 3.21Å; V70-L153 PolarHBondContact O-N 3.14Å
71	H	96.9	Very high	97.8	Very high	54 Å²	54	54.4 Å²	54.4	25%	0.25	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	125.8	176.1	-171.6	70.9	0	0	0	110	G73 E74 P152	H71-G73 PolarHBondContact O-N 3.04Å; H71-E74 PolarHBondContact N-O 3.34Å; H71-E74 PolarHBondContact O-N 3.37Å; H71-E74 VanDerWaalsContact O-N 3.09Å; H71-P152 HydrophobicContact CB-CB 4.09Å
72	N	93.9	Very high	97.8	Very high	106 Å²	106	54.7 Å²	54.7	57%	0.567	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	38	-174	-57.1	-29.2	0	0	0	113.4	E74	N72-E74 VanDerWaalsContact C-N 3.25Å; N72-E74 PolarHBondContact O-N 3.15Å
73	G	93.5	Very high	97.8	Very high	42 Å²	42	55.2 Å²	55.2	43%	0.433	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.5	-179.9	0	0	0	0	0	115.3	H71	H71-G73 PolarHBondContact O-N 3.04Å
74	E	96.9	Very high	97.7	Very high	108 Å²	108	62.7 Å²	62.7	51%	0.505	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.6	-179.2	-62	-179.9	151.7	0	0	111.7	V70 H71 N72 K76	V70-E74 WeakPolarHBondContact CA-O 3.49Å; H71-E74 PolarHBondContact N-O 3.34Å; H71-E74 PolarHBondContact O-N 3.37Å; H71-E74 VanDerWaalsContact O-N 3.09Å; N72-E74 VanDerWaalsContact C-N 3.25Å; N72-E74 PolarHBondContact O-N 3.15Å; E74-K76 WeakPolarHBondContact OE2-CE 3.48Å; E74-K76 IonicContact OE2-NZ 2.73Å; E74-K76 PolarHBondContact OE2-NZ 3.26Å
75	F	98.5	Very high	97.8	Very high	86 Å²	86	61.9 Å²	61.9	38%	0.377	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.2	170.3	-56.9	-31.3	0	0	0	110.4	T68 A69 V70 H130 F131 L134	T68-F75 HydrophobicContact CG2-CB 4.09Å; A69-F75 WeakPolarHBondContact O-CA 3.4Å; V70-F75 HydrophobicContact CG2-CD1 3.95Å; V70-F75 HydrophobicContact CG2-CE1 3.9Å; F75-H130 HydrophobicContact CD1-CB 4.29Å; F75-H130 AromaticContact CD1-CD2 3.93Å; F75-H130 AromaticContact CD2-CD2 3.96Å; F75-H130 HydrophobicContact CE1-CB 4.3Å; F75-H130 AromaticContact CE1-CD2 3.85Å; F75-H130 AromaticContact CE2-CD2 3.88Å; F75-H130 AromaticContact CG-CD2 3.99Å; F75-H130 AromaticContact CZ-CD2 3.84Å; F75-F131 AromaticContact CE2-CD1 3.96Å; F75-F131 HydrophobicContact CE2-CD1 3.96Å; F75-F131 AromaticContact CE2-CE1 3.64Å; F75-F131 HydrophobicContact CE2-CE1 3.64Å; F75-F131 HydrophobicContact CE2-CZ 4.4Å; F75-F131 AromaticContact CZ-CD1 3.73Å; F75-F131 HydrophobicContact CZ-CD1 3.73Å; F75-F131 AromaticContact CZ-CE1 3.93Å; F75-F131 HydrophobicContact CZ-CE1 3.93Å; F75-L134 HydrophobicContact CE1-CB 4.03Å; F75-L134 HydrophobicContact CE1-CD2 3.83Å; F75-L134 HydrophobicContact CZ-CB 4.46Å; F75-L134 HydrophobicContact CZ-CD2 3.75Å
76	K	97.9	Very high	97.8	Very high	84 Å²	84	64.8 Å²	64.8	37%	0.365	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.9	179.8	-67.6	-177.7	177.2	162.5	0	110.1	A69 E74	A69-K76 PolarHBondContact N-O 3.15Å; A69-K76 PolarHBondContact O-N 3.31Å; E74-K76 WeakPolarHBondContact OE2-CE 3.48Å; E74-K76 IonicContact OE2-NZ 2.73Å; E74-K76 PolarHBondContact OE2-NZ 3.26Å
77	D	98.3	Very high	97.8	Very high	99 Å²	99	57.8 Å²	57.8	53%	0.529	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129	168.7	-78.1	-4.9	0	0	0	109.3	T68	T68-D77 PolarHBondContact OG1-OD1 2.88Å; T68-D77 VanDerWaalsContact OG1-OD1 3.12Å
78	L	98.3	Very high	97.8	Very high	32 Å²	32	57.1 Å²	57.1	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.5	173.7	-70.5	179.6	0	0	0	109.9	K66 A67 A69 P152 L154	K66-L78 CarbonylContact C-O 3.57Å; K66-L78 VanDerWaalsContact CA-O 3.3Å; K66-L78 WeakPolarHBondContact CA-O 3.3Å; A67-L78 PolarHBondContact N-O 3.37Å; A67-L78 PolarHBondContact O-N 2.86Å; A69-L78 HydrophobicContact CB-CB 4.49Å; A69-L78 HydrophobicContact CB-CD1 3.61Å; A69-L78 HydrophobicContact CB-CG 4.07Å; L78-P152 HydrophobicContact CD1-CB 3.66Å; L78-P152 HydrophobicContact CD1-CG 4.01Å; L78-L154 HydrophobicContact CB-CD1 4.05Å
79	S	98.6	Very high	97.8	Very high	20 Å²	20	55.3 Å²	55.3	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	160.5	177.4	71.2	0	0	0	0	111.2	F65 A81 D82 F83	F65-S79 CarbonylContact O-C 3.55Å; F65-S79 WeakPolarHBondContact O-CA 3.41Å; F65-S79 VanDerWaalsContact O-CB 3.27Å; F65-S79 WeakPolarHBondContact O-CB 3.39Å; S79-A81 PolarHBondContact O-N 3.37Å; S79-D82 WeakPolarHBondContact CA-OD2 3.49Å; S79-D82 WeakPolarHBondContact CB-OD2 3.38Å; S79-D82 PolarHBondContact N-OD2 3.36Å; S79-D82 WeakPolarHBondContact O-CB 3.26Å; S79-D82 PolarHBondContact O-N 3.43Å; S79-D82 VanDerWaalsContact O-N 3.14Å; S79-D82 VanDerWaalsContact OG-CG 3.31Å; S79-D82 PolarHBondContact OG-OD2 2.81Å; S79-F83 VanDerWaalsContact O-CD2 3.27Å; S79-F83 WeakPolarHBondContact O-CD2 3.42Å; S79-F83 WeakPolarHBondContact O-CE2 3.46Å
80	L	98.4	Very high	97.8	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.147	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-56.1	-33.4	174.8	180	61.7	0	0	0	112	A62 F65 D82 F83 L88 I182	A62-L80 HydrophobicContact CB-CD2 3.98Å; F65-L80 HydrophobicContact CD1-CB 3.85Å; F65-L80 HydrophobicContact CE1-CB 3.7Å; F65-L80 HydrophobicContact CE1-CD1 3.88Å; F65-L80 HydrophobicContact CE1-CG 4.34Å; F65-L80 HydrophobicContact CG-CB 4.42Å; F65-L80 HydrophobicContact CZ-CB 4.16Å; F65-L80 PolarHBondContact O-N 3.33Å; F65-L80 VanDerWaalsContact O-N 3.08Å; L80-D82 PolarHBondContact O-N 3.09Å; L80-F83 PolarHBondContact O-N 2.76Å; L80-L88 HydrophobicContact CD1-CD2 3.88Å; L80-I182 HydrophobicContact CD1-CD1 4.17Å
81	A	98.1	Very high	97.9	Very high	75 Å²	75	55.2 Å²	55.2	62%	0.62	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26.3	-178.1	0	0	0	0	0	113.4	S79 F83 K84	S79-A81 PolarHBondContact O-N 3.37Å; A81-F83 PolarHBondContact O-N 3.23Å; A81-K84 WeakPolarHBondContact O-CB 3.4Å; A81-K84 PolarHBondContact O-N 2.94Å
82	D	98.4	Very high	98	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-68.1	-15.9	179.3	-58.3	-49.4	0	0	0	112.5	S79 L80	S79-D82 WeakPolarHBondContact CA-OD2 3.49Å; S79-D82 WeakPolarHBondContact CB-OD2 3.38Å; S79-D82 PolarHBondContact N-OD2 3.36Å; S79-D82 WeakPolarHBondContact O-CB 3.26Å; S79-D82 PolarHBondContact O-N 3.43Å; S79-D82 VanDerWaalsContact O-N 3.14Å; S79-D82 VanDerWaalsContact OG-CG 3.31Å; S79-D82 PolarHBondContact OG-OD2 2.81Å; L80-D82 PolarHBondContact O-N 3.09Å
83	F	98.4	Very high	98.2	Very high	21 Å²	21	47.6 Å²	47.6	9%	0.092	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-99.1	4.1	179.9	-58.2	-79.5	0	0	0	113.6	F65 S79 L80 A81 G85 K86 L88 E121 V123	F65-F83 HydrophobicContact CZ-CD2 4.44Å; F65-F83 HydrophobicContact CZ-CE2 4.19Å; S79-F83 VanDerWaalsContact O-CD2 3.27Å; S79-F83 WeakPolarHBondContact O-CD2 3.42Å; S79-F83 WeakPolarHBondContact O-CE2 3.46Å; L80-F83 PolarHBondContact O-N 2.76Å; A81-F83 PolarHBondContact O-N 3.23Å; F83-G85 PolarHBondContact O-N 2.64Å; F83-K86 PolarHBondContact O-N 3.09Å; F83-L88 HydrophobicContact CB-CB 4.29Å; F83-L88 HydrophobicContact CB-CD2 4.19Å; F83-L88 HydrophobicContact CD1-CD1 3.98Å; F83-L88 HydrophobicContact CD2-CD1 4.47Å; F83-L88 HydrophobicContact CD2-CD2 3.86Å; F83-L88 HydrophobicContact CE1-CD1 4.1Å; F83-L88 HydrophobicContact CE2-CD2 4.42Å; F83-L88 HydrophobicContact CG-CB 4.47Å; F83-L88 HydrophobicContact CG-CD1 4.18Å; F83-L88 HydrophobicContact CG-CD2 3.94Å; F83-L88 HydrophobicContact CG-CG 4.43Å; F83-L88 HydrophobicContact CZ-CD1 4.41Å; F83-E121 HydrophobicContact CD1-CB 3.68Å; F83-E121 HydrophobicContact CD1-CG 3.81Å; F83-E121 HydrophobicContact CE1-CB 3.74Å; F83-E121 HydrophobicContact CE1-CG 4.03Å; F83-V123 HydrophobicContact CE1-CG2 3.83Å; F83-V123 HydrophobicContact CE2-CG2 4.16Å; F83-V123 HydrophobicContact CZ-CG2 3.43Å; F83-V123 VanDerWaalsContact CZ-CG2 3.43Å
84	K	97.4	Very high	98.4	Very high	182 Å²	182	46 Å²	46	79%	0.791	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	134.1	178.5	-174.3	176.8	-179.4	179.2	0	111	A81 K86	A81-K84 WeakPolarHBondContact O-CB 3.4Å; A81-K84 PolarHBondContact O-N 2.94Å; K84-K86 VanDerWaalsContact C-N 3.29Å
85	G	98.3	Very high	98.5	Very high	41 Å²	41	43.6 Å²	43.6	42%	0.423	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-0.9	-176.7	0	0	0	0	0	114.6	F83 N119 P184	F83-G85 PolarHBondContact O-N 2.64Å; G85-N119 PolarHBondContact O-ND2 2.84Å; G85-P184 PolarHBondContact N-O 3.12Å
86	K	98.7	Very high	98.5	Very high	75 Å²	75	39.9 Å²	39.9	33%	0.326	22%	0.217	S	C	.	.	S	Bend	trans	-123.6	154.4	174.6	-55.8	-171.7	175.4	177.1	0	110.6	F83 K84 N119 E121 P184	F83-K86 PolarHBondContact O-N 3.09Å; K84-K86 VanDerWaalsContact C-N 3.29Å; K86-N119 WeakPolarHBondContact CG-OD1 3.37Å; K86-E121 HydrophobicContact CD-CG 3.64Å; K86-E121 IonicContact NZ-OE1 2.72Å; K86-E121 PolarHBondContact NZ-OE1 3.43Å; K86-P184 WeakPolarHBondContact O-CA 3.32Å
87	Y	98.9	Very high	98.5	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	148.7	161.6	-87.7	-98.9	0	0	0	109.7	N119 C120 E121 I181 I182 D183 P184 F212 Q213 E216	Y87-N119 PolarHBondContact N-O 2.9Å; Y87-C120 CarbonylContact O-C 3.58Å; Y87-C120 VanDerWaalsContact O-CA 3.32Å; Y87-C120 WeakPolarHBondContact O-CA 3.19Å; Y87-E121 PolarHBondContact O-N 3.26Å; Y87-I181 HydrophobicContact CD1-CG2 4Å; Y87-I181 HydrophobicContact CE1-CG2 4.36Å; Y87-I182 CarbonylContact C-O 3.59Å; Y87-I182 WeakPolarHBondContact CA-O 3.37Å; Y87-D183 HydrophobicContact CE1-CB 4.11Å; Y87-P184 HydrophobicContact CD2-CG 3.73Å; Y87-P184 VanDerWaalsContact CE2-CD 3.42Å; Y87-P184 HydrophobicContact CE2-CG 3.79Å; Y87-F212 HydrophobicContact CE1-CB 4.07Å; Y87-Q213 HydrophobicContact CD2-CG 3.88Å; Y87-Q213 VanDerWaalsContact CD2-NE2 3.3Å; Y87-Q213 HydrophobicContact CE2-CG 3.4Å; Y87-E216 PolarHBondContact OH-OE1 2.89Å; Y87-E216 VanDerWaalsContact OH-OE1 3.13Å; Y87-E216 PolarHBondContact OH-OE2 3.16Å
88	L	98.9	Very high	98.4	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.4	175.5	169.4	64	0	0	0	109.9	F65 L80 F83 L90 E121 V123 I182	F65-L88 HydrophobicContact CE1-CD2 4.41Å; F65-L88 HydrophobicContact CZ-CD2 4.35Å; L80-L88 HydrophobicContact CD1-CD2 3.88Å; F83-L88 HydrophobicContact CB-CB 4.29Å; F83-L88 HydrophobicContact CB-CD2 4.19Å; F83-L88 HydrophobicContact CD1-CD1 3.98Å; F83-L88 HydrophobicContact CD2-CD1 4.47Å; F83-L88 HydrophobicContact CD2-CD2 3.86Å; F83-L88 HydrophobicContact CE1-CD1 4.1Å; F83-L88 HydrophobicContact CE2-CD2 4.42Å; F83-L88 HydrophobicContact CG-CB 4.47Å; F83-L88 HydrophobicContact CG-CD1 4.18Å; F83-L88 HydrophobicContact CG-CD2 3.94Å; F83-L88 HydrophobicContact CG-CG 4.43Å; F83-L88 HydrophobicContact CZ-CD1 4.41Å; L88-L90 HydrophobicContact CD2-CB 4.39Å; L88-L90 HydrophobicContact CG-CB 4.28Å; L88-E121 HydrophobicContact CD1-CB 4.37Å; L88-V123 HydrophobicContact CD1-CB 4.16Å; L88-V123 HydrophobicContact CD1-CG2 3.55Å; L88-I182 HydrophobicContact CB-CB 4.26Å; L88-I182 HydrophobicContact CD2-CD1 4.03Å; L88-I182 HydrophobicContact CG-CD1 4.45Å; L88-I182 PolarHBondContact N-O 2.86Å; L88-I182 PolarHBondContact O-N 2.94Å
89	V	98.9	Very high	98.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	106.8	161.5	176.3	0	0	0	0	107.7	F108 F115 E121 V122 V123 L179 F180 I181 T205 V209	V89-F108 HydrophobicContact CG1-CE1 4.21Å; V89-F108 HydrophobicContact CG1-CZ 4.47Å; V89-F115 HydrophobicContact CG2-CD1 4.25Å; V89-F115 HydrophobicContact CG2-CE1 4.04Å; V89-E121 PolarHBondContact N-O 2.52Å; V89-V122 HydrophobicContact CB-CB 4.5Å; V89-V122 HydrophobicContact CB-CG1 4.28Å; V89-V122 HydrophobicContact CB-CG2 4.19Å; V89-V122 HydrophobicContact CG1-CG1 4.25Å; V89-V122 CarbonylContact O-C 3.59Å; V89-V122 WeakPolarHBondContact O-CA 3.41Å; V89-V123 PolarHBondContact O-N 3.42Å; V89-L179 HydrophobicContact CG1-CD1 4.1Å; V89-L179 HydrophobicContact CG1-CD2 4.47Å; V89-L179 HydrophobicContact CG1-CG 4.17Å; V89-F180 WeakPolarHBondContact CA-O 3.37Å; V89-I181 HydrophobicContact CG2-CG1 4.46Å; V89-T205 HydrophobicContact CB-CG2 4.49Å; V89-T205 HydrophobicContact CG1-CG2 3.84Å; V89-T205 HydrophobicContact CG2-CG2 3.76Å; V89-V209 HydrophobicContact CG2-CG2 3.94Å
90	L	98.9	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.7	173.9	-172.8	72.2	0	0	0	108.7	F65 L88 F92 V123 V125 Y165 F180 I182	F65-L90 HydrophobicContact CD1-CD2 4.29Å; F65-L90 HydrophobicContact CE1-CD1 4.22Å; F65-L90 HydrophobicContact CE1-CD2 3.88Å; F65-L90 HydrophobicContact CZ-CD1 4.2Å; L88-L90 HydrophobicContact CD2-CB 4.39Å; L88-L90 HydrophobicContact CG-CB 4.28Å; L90-F92 HydrophobicContact CD2-CE2 4.01Å; L90-F92 HydrophobicContact CD2-CZ 4.17Å; L90-F92 HydrophobicContact CG-CE2 4.2Å; L90-V123 HydrophobicContact CD1-CB 3.85Å; L90-V123 HydrophobicContact CD1-CG1 3.9Å; L90-V125 HydrophobicContact CD1-CG2 3.47Å; L90-V125 VanDerWaalsContact CD1-CG2 3.47Å; L90-V125 HydrophobicContact CG-CG2 4.1Å; L90-Y165 HydrophobicContact CD2-CD1 4.26Å; L90-Y165 HydrophobicContact CD2-CE1 3.57Å; L90-Y165 HydrophobicContact CD2-CE2 3.94Å; L90-Y165 WeakPolarHBondContact CD2-OH 3.37Å; L90-F180 PolarHBondContact N-O 2.8Å; L90-F180 PolarHBondContact O-N 2.75Å; L90-I182 HydrophobicContact CB-CD1 4.28Å
91	F	98.9	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.4	-178.2	78.9	-86.6	0	0	0	112.1	Y93 I105 F108 V122 V123 G124 V125 I151 G178 L179	F91-Y93 HydrophobicContact CE2-CD1 4.13Å; F91-I105 HydrophobicContact CE2-CG1 3.96Å; F91-I105 HydrophobicContact CZ-CG1 4Å; F91-F108 HydrophobicContact CD1-CD2 4.18Å; F91-F108 HydrophobicContact CD1-CE2 4.3Å; F91-F108 HydrophobicContact CE1-CB 4.41Å; F91-F108 AromaticContact CE1-CD2 3.94Å; F91-F108 HydrophobicContact CE1-CD2 3.94Å; F91-F108 HydrophobicContact CE1-CG 4.23Å; F91-F108 HydrophobicContact CE2-CD2 4.34Å; F91-F108 HydrophobicContact CG-CD2 4.49Å; F91-F108 HydrophobicContact CG-CE2 4.31Å; F91-F108 HydrophobicContact CZ-CD2 4.02Å; F91-V122 HydrophobicContact CD1-CG1 4Å; F91-V122 HydrophobicContact CE1-CG1 3.81Å; F91-V123 VanDerWaalsContact CD1-O 3.24Å; F91-V123 WeakPolarHBondContact CD1-O 3.23Å; F91-V123 PolarHBondContact N-O 3.35Å; F91-G124 VanDerWaalsContact CE1-CA 3.47Å; F91-G124 CarbonylContact O-C 3.08Å; F91-G124 WeakPolarHBondContact O-CA 3.46Å; F91-V125 PolarHBondContact O-N 2.98Å; F91-I151 HydrophobicContact CE1-CD1 3.93Å; F91-I151 HydrophobicContact CZ-CD1 3.99Å; F91-G178 CarbonylContact C-O 3.39Å; F91-G178 WeakPolarHBondContact CA-O 3.24Å; F91-L179 HydrophobicContact CB-CB 4.18Å; F91-L179 HydrophobicContact CB-CD1 4.14Å; F91-L179 HydrophobicContact CB-CG 4.12Å
92	F	98.9	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	144.6	176.6	-63.4	-100.7	0	0	0	109.9	L90 V125 I161 Y165 V167 A175 G178 F180 R200	L90-F92 HydrophobicContact CD2-CE2 4.01Å; L90-F92 HydrophobicContact CD2-CZ 4.17Å; L90-F92 HydrophobicContact CG-CE2 4.2Å; F92-V125 CarbonylContact C-O 3.52Å; F92-V125 VanDerWaalsContact CA-O 3.23Å; F92-V125 WeakPolarHBondContact CA-O 3.12Å; F92-V125 HydrophobicContact CD1-CB 3.74Å; F92-V125 HydrophobicContact CD1-CG1 3.82Å; F92-V125 HydrophobicContact CE1-CB 3.87Å; F92-V125 HydrophobicContact CE1-CG1 3.65Å; F92-V125 HydrophobicContact CE1-CG2 4.34Å; F92-V125 HydrophobicContact CG-CB 4.26Å; F92-V125 HydrophobicContact CZ-CB 4.49Å; F92-V125 HydrophobicContact CZ-CG1 4.49Å; F92-V125 HydrophobicContact CZ-CG2 4.5Å; F92-I161 HydrophobicContact CE1-CG2 3.99Å; F92-I161 HydrophobicContact CZ-CG2 3.9Å; F92-Y165 HydrophobicContact CE2-CD1 4Å; F92-Y165 HydrophobicContact CE2-CD2 4.42Å; F92-Y165 AromaticContact CE2-CG 3.83Å; F92-Y165 HydrophobicContact CE2-CG 3.83Å; F92-Y165 HydrophobicContact CZ-CD1 4.28Å; F92-Y165 AromaticContact CZ-CD2 3.88Å; F92-Y165 HydrophobicContact CZ-CD2 3.88Å; F92-Y165 AromaticContact CZ-CG 3.7Å; F92-Y165 HydrophobicContact CZ-CG 3.7Å; F92-V167 HydrophobicContact CB-CG2 4.2Å; F92-V167 HydrophobicContact CD1-CG2 3.83Å; F92-V167 HydrophobicContact CD2-CG2 3.91Å; F92-V167 HydrophobicContact CE1-CG2 4.15Å; F92-V167 HydrophobicContact CE2-CG2 4.24Å; F92-V167 HydrophobicContact CG-CG2 3.7Å; F92-V167 HydrophobicContact CZ-CG2 4.35Å; F92-A175 HydrophobicContact CB-CB 3.98Å; F92-A175 HydrophobicContact CD1-CB 4.3Å; F92-G178 PolarHBondContact N-O 2.85Å; F92-F180 HydrophobicContact CD2-CD2 4.15Å; F92-F180 AromaticContact CD2-CE2 3.89Å; F92-F180 HydrophobicContact CD2-CE2 3.89Å; F92-F180 AromaticContact CE2-CD2 3.88Å; F92-F180 HydrophobicContact CE2-CD2 3.88Å; F92-F180 AromaticContact CE2-CE2 3.72Å; F92-F180 HydrophobicContact CE2-CE2 3.72Å; F92-R200 VanDerWaalsContact O-CZ 3.29Å; F92-R200 PolarHBondContact O-NH1 3.32Å; F92-R200 PolarHBondContact O-NH2 2.72Å
93	Y	98.9	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	-133.1	152.4	170.2	62.3	-85	0	0	0	110.1	F91 D96 C101 I105 V125 S126 H133 W136 L153	F91-Y93 HydrophobicContact CE2-CD1 4.13Å; Y93-D96 VanDerWaalsContact CE2-OD1 3.25Å; Y93-D96 WeakPolarHBondContact CE2-OD1 3.33Å; Y93-D96 PolarHBondContact OH-OD1 3.18Å; Y93-C101 HydrophobicContact CD2-CB 3.86Å; Y93-C101 HydrophobicContact CG-CB 4.38Å; Y93-I105 HydrophobicContact CD1-CD1 3.98Å; Y93-I105 HydrophobicContact CD1-CG1 4.3Å; Y93-I105 HydrophobicContact CD2-CD1 4.09Å; Y93-I105 HydrophobicContact CE1-CD1 3.78Å; Y93-I105 HydrophobicContact CE1-CG1 4.36Å; Y93-I105 HydrophobicContact CE2-CD1 3.86Å; Y93-I105 HydrophobicContact CG-CD1 4.13Å; Y93-V125 VanDerWaalsContact CD1-O 3.24Å; Y93-V125 WeakPolarHBondContact CD1-O 3.34Å; Y93-V125 WeakPolarHBondContact CE1-O 3.25Å; Y93-V125 PolarHBondContact N-O 3.13Å; Y93-S126 VanDerWaalsContact CE2-CB 3.44Å; Y93-S126 VanDerWaalsContact O-CB 3.27Å; Y93-S126 WeakPolarHBondContact O-CB 3.44Å; Y93-H133 PolarHBondContact OH-CE1 2.62Å; Y93-H133 PolarHBondContact OH-ND1 3.41Å; Y93-W136 AromaticContact CE2-CZ3 3.8Å; Y93-W136 HydrophobicContact CE2-CZ3 3.8Å; Y93-L153 HydrophobicContact CE1-CD2 4.27Å
94	P	98.5	Very high	97.8	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.045	21%	0.205	C	C	.	.	S	Bend	trans	-56.5	-60.4	-172.9	-30	32.8	0	0	0	115.4	C101 I174 A175 R177 L196	P94-C101 VanDerWaalsContact CD-SG 3.56Å; P94-I174 HydrophobicContact CB-CD1 4.25Å; P94-A175 VanDerWaalsContact CA-O 3.31Å; P94-A175 WeakPolarHBondContact CA-O 3.46Å; P94-R177 HydrophobicContact CG-CG 4.34Å; P94-L196 HydrophobicContact CB-CD2 4.22Å; P94-L196 HydrophobicContact CG-CD2 3.6Å
95	L	98.6	Very high	97.9	Very high	58 Å²	58	31.6 Å²	31.6	30%	0.304	17%	0.168	S	C	.	.			trans	-157.4	147.4	-170.8	-74.3	175.2	0	0	0	111.8	T98 C101 V127 D128 I174	L95-T98 HydrophobicContact CB-CG2 3.71Å; L95-T98 HydrophobicContact CD1-CG2 4.49Å; L95-T98 PolarHBondContact O-OG1 3.47Å; L95-C101 PolarHBondContact O-SG 3.01Å; L95-V127 HydrophobicContact CD2-CG2 4.06Å; L95-D128 WeakPolarHBondContact CA-OD2 3.2Å; L95-I174 HydrophobicContact CD1-CG2 3.96Å; L95-I174 HydrophobicContact CD2-CG2 3.84Å; L95-I174 HydrophobicContact CG-CG2 3.77Å
96	D	98.8	Very high	97.9	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.048	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	155.7	163.4	-71.9	-0.1	0	0	0	111.5	Y93 T98 D128 T132 H133 W136	Y93-D96 VanDerWaalsContact CE2-OD1 3.25Å; Y93-D96 WeakPolarHBondContact CE2-OD1 3.33Å; Y93-D96 PolarHBondContact OH-OD1 3.18Å; D96-T98 PolarHBondContact O-N 2.74Å; D96-D128 HydrophobicContact CB-CB 4.38Å; D96-D128 PolarHBondContact N-OD2 2.94Å; D96-T132 HydrophobicContact CB-CG2 3.8Å; D96-T132 VanDerWaalsContact OD2-C 3.32Å; D96-T132 VanDerWaalsContact OD2-CG2 3.26Å; D96-T132 WeakPolarHBondContact OD2-CG2 3.4Å; D96-H133 IonicContact OD1-CE1 2.75Å; D96-H133 IonicContact OD1-ND1 2.69Å; D96-H133 PolarHBondContact OD1-ND1 2.97Å; D96-H133 WeakPolarHBondContact OD2-CA 3.43Å; D96-H133 IonicContact OD2-CE1 3.79Å; D96-H133 IonicContact OD2-CG 3.81Å; D96-H133 PolarHBondContact OD2-N 3.31Å; D96-H133 IonicContact OD2-ND1 2.86Å; D96-H133 PolarHBondContact OD2-ND1 3.05Å; D96-W136 HydrophobicContact CB-CD2 4.08Å; D96-W136 HydrophobicContact CB-CE3 3.73Å; D96-W136 HydrophobicContact CB-CZ3 4.14Å; D96-W136 VanDerWaalsContact CG-CE3 3.45Å; D96-W136 WeakPolarHBondContact OD1-CZ3 3.32Å
97	F	98.3	Very high	97.9	Very high	103 Å²	103	29.9 Å²	29.9	45%	0.452	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	30.6	176.8	-60.1	-85	0	0	0	115.3	T132 A135 W136	F97-T132 HydrophobicContact CD2-CG2 4.09Å; F97-T132 HydrophobicContact CE2-CG2 3.79Å; F97-A135 HydrophobicContact CZ-CB 4.35Å; F97-W136 AromaticContact CD1-CD1 3.4Å; F97-W136 VanDerWaalsContact CD1-CD1 3.4Å; F97-W136 HydrophobicContact CD1-CG 4.19Å; F97-W136 AromaticContact CD1-NE1 3.82Å; F97-W136 HydrophobicContact CD2-CB 4.32Å; F97-W136 HydrophobicContact CD2-CG 4.16Å; F97-W136 HydrophobicContact CE1-CB 4.16Å; F97-W136 AromaticContact CE1-CD1 3.33Å; F97-W136 AromaticContact CE1-CG 4Å; F97-W136 HydrophobicContact CE1-CG 4Å; F97-W136 HydrophobicContact CE2-CB 3.66Å; F97-W136 AromaticContact CE2-CG 3.95Å; F97-W136 HydrophobicContact CE2-CG 3.95Å; F97-W136 AromaticContact CG-CD1 3.83Å; F97-W136 HydrophobicContact CG-CG 4.28Å; F97-W136 VanDerWaalsContact CZ-CA 3.5Å; F97-W136 HydrophobicContact CZ-CB 3.57Å; F97-W136 AromaticContact CZ-CD1 3.69Å; F97-W136 AromaticContact CZ-CG 3.87Å; F97-W136 HydrophobicContact CZ-CG 3.87Å; F97-W136 VanDerWaalsContact N-CE2 3.27Å
98	T	95.8	Very high	97.9	Very high	41 Å²	41	29.7 Å²	29.7	25%	0.252	16%	0.155	S	C	.	.	S	Bend	trans	-111.7	-164.6	173.2	62.6	0	0	0	0	111.8	L95 D96 C101 P102	L95-T98 HydrophobicContact CB-CG2 3.71Å; L95-T98 HydrophobicContact CD1-CG2 4.49Å; L95-T98 PolarHBondContact O-OG1 3.47Å; D96-T98 PolarHBondContact O-N 2.74Å; T98-C101 PolarHBondContact OG1-SG 2.91Å; T98-P102 VanDerWaalsContact O-CD 3.23Å; T98-P102 WeakPolarHBondContact O-CD 3.37Å; T98-P102 WeakPolarHBondContact O-CG 3.34Å
99	F	93.3	Very high	97.9	Very high	188 Å²	188	29.7 Å²	29.7	83%	0.825	16%	0.155	S	C	*	.	S	Bend	trans	-94.2	-57.8	-161.3	-47.3	-66.5	0	0	0	114.6	P102	F99-P102 WeakPolarHBondContact O-CD 3.29Å; F99-P102 WeakPolarHBondContact O-CG 3.41Å
100	V	94.4	Very high	97.8	Very high	35 Å²	35	34.1 Å²	34.1	21%	0.212	18%	0.179	C	C	.	.	H	α-helix	trans	-83.4	-31.5	-176.9	175.2	0	0	0	0	111.5	T103 E104	V100-T103 PolarHBondContact O-N 3.03Å; V100-T103 VanDerWaalsContact O-N 3.11Å; V100-T103 PolarHBondContact O-OG1 3.47Å; V100-E104 HydrophobicContact CG1-CG 4.21Å; V100-E104 PolarHBondContact O-N 3.33Å
101	C	95.3	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-53.1	-48.1	-179	-52.3	0	0	0	0	114.4	Y93 P94 L95 T98 T103 E104 I105 W136	Y93-C101 HydrophobicContact CD2-CB 3.86Å; Y93-C101 HydrophobicContact CG-CB 4.38Å; P94-C101 VanDerWaalsContact CD-SG 3.56Å; L95-C101 PolarHBondContact O-SG 3.01Å; T98-C101 PolarHBondContact OG1-SG 2.91Å; C101-T103 VanDerWaalsContact C-N 3.26Å; C101-T103 PolarHBondContact O-N 3.05Å; C101-E104 PolarHBondContact O-N 3.07Å; C101-I105 WeakPolarHBondContact O-CG1 3.43Å; C101-I105 PolarHBondContact O-N 2.8Å; C101-I105 VanDerWaalsContact O-N 3.13Å; C101-W136 HydrophobicContact CB-CH2 3.89Å
102	P	97.9	Very high	97.8	Very high	9 Å²	9	36 Å²	36	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-32.9	179.5	22.9	-31.1	0	0	0	112.2	T98 F99 I106 W136 L146	T98-P102 VanDerWaalsContact O-CD 3.23Å; T98-P102 WeakPolarHBondContact O-CD 3.37Å; T98-P102 WeakPolarHBondContact O-CG 3.34Å; F99-P102 WeakPolarHBondContact O-CD 3.29Å; F99-P102 WeakPolarHBondContact O-CG 3.41Å; P102-I106 HydrophobicContact CB-CD1 4.41Å; P102-I106 WeakPolarHBondContact O-CB 3.13Å; P102-I106 VanDerWaalsContact O-CD1 3.29Å; P102-I106 WeakPolarHBondContact O-CD1 3.37Å; P102-I106 WeakPolarHBondContact O-CG1 3.1Å; P102-I106 PolarHBondContact O-N 3.14Å; P102-W136 HydrophobicContact CB-CH2 4.06Å; P102-W136 HydrophobicContact CB-CZ2 3.55Å; P102-W136 HydrophobicContact CG-CH2 4.42Å; P102-W136 HydrophobicContact CG-CZ2 3.84Å; P102-L146 HydrophobicContact CB-CD2 3.78Å
103	T	98.2	Very high	97.8	Very high	85 Å²	85	42.2 Å²	42.2	52%	0.521	21%	0.214	S	C	.	.	H	α-helix	trans	-67.7	-38.7	-178.9	75.4	0	0	0	0	111.5	V100 C101 S107	V100-T103 PolarHBondContact O-N 3.03Å; V100-T103 VanDerWaalsContact O-N 3.11Å; V100-T103 PolarHBondContact O-OG1 3.47Å; C101-T103 VanDerWaalsContact C-N 3.26Å; C101-T103 PolarHBondContact O-N 3.05Å; T103-S107 VanDerWaalsContact O-CB 3.26Å; T103-S107 WeakPolarHBondContact O-CB 3.3Å; T103-S107 PolarHBondContact O-N 2.84Å
104	E	98.5	Very high	97.8	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-49.1	176.1	-62.6	-175.6	117	0	0	111.7	V100 C101 I106 S107 F108 R177 G199 R200	V100-E104 HydrophobicContact CG1-CG 4.21Å; V100-E104 PolarHBondContact O-N 3.33Å; C101-E104 PolarHBondContact O-N 3.07Å; E104-I106 VanDerWaalsContact C-N 3.35Å; E104-I106 PolarHBondContact O-N 2.85Å; E104-S107 PolarHBondContact O-N 3.24Å; E104-F108 WeakPolarHBondContact O-CD2 3.39Å; E104-F108 PolarHBondContact O-N 2.97Å; E104-R177 IonicContact OE2-CZ 3.3Å; E104-R177 IonicContact OE2-NH1 2.8Å; E104-R177 PolarHBondContact OE2-NH1 2.8Å; E104-G199 WeakPolarHBondContact OE1-CA 3.5Å; E104-R200 VanDerWaalsContact CD-NH2 3.27Å; E104-R200 WeakPolarHBondContact OE1-CB 3.43Å; E104-R200 IonicContact OE1-CZ 3.6Å; E104-R200 PolarHBondContact OE1-N 3.08Å; E104-R200 IonicContact OE1-NE 3.75Å; E104-R200 PolarHBondContact OE1-NE 3.43Å; E104-R200 IonicContact OE1-NH2 3.43Å; E104-R200 PolarHBondContact OE1-NH2 3.34Å; E104-R200 IonicContact OE2-CZ 2.75Å; E104-R200 IonicContact OE2-NE 3.22Å; E104-R200 IonicContact OE2-NH2 3.7Å; E104-R200 PolarHBondContact OE2-NH2 2.96Å
105	I	98.7	Very high	97.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-45.8	-179.7	-66	164.4	0	0	0	110.6	F91 Y93 C101 F108 S109 W136 L146 I149 I151 L153	F91-I105 HydrophobicContact CE2-CG1 3.96Å; F91-I105 HydrophobicContact CZ-CG1 4Å; Y93-I105 HydrophobicContact CD1-CD1 3.98Å; Y93-I105 HydrophobicContact CD1-CG1 4.3Å; Y93-I105 HydrophobicContact CD2-CD1 4.09Å; Y93-I105 HydrophobicContact CE1-CD1 3.78Å; Y93-I105 HydrophobicContact CE1-CG1 4.36Å; Y93-I105 HydrophobicContact CE2-CD1 3.86Å; Y93-I105 HydrophobicContact CG-CD1 4.13Å; C101-I105 WeakPolarHBondContact O-CG1 3.43Å; C101-I105 PolarHBondContact O-N 2.8Å; C101-I105 VanDerWaalsContact O-N 3.13Å; I105-F108 PolarHBondContact O-N 3.42Å; I105-S109 WeakPolarHBondContact O-CB 3.43Å; I105-S109 PolarHBondContact O-N 3.22Å; I105-W136 HydrophobicContact CD1-CE3 4.5Å; I105-W136 HydrophobicContact CD1-CH2 3.85Å; I105-W136 HydrophobicContact CD1-CZ3 3.48Å; I105-W136 VanDerWaalsContact CD1-CZ3 3.48Å; I105-L146 HydrophobicContact CB-CD2 4.06Å; I105-L146 HydrophobicContact CD1-CD1 4.42Å; I105-L146 HydrophobicContact CD1-CD2 4.21Å; I105-L146 HydrophobicContact CG2-CD1 3.99Å; I105-L146 HydrophobicContact CG2-CD2 3.93Å; I105-I149 HydrophobicContact CG2-CD1 4.41Å; I105-I151 HydrophobicContact CG2-CD1 4.27Å; I105-L153 HydrophobicContact CD1-CD2 4.4Å; I105-L153 HydrophobicContact CG2-CD2 4.08Å
106	I	98.6	Very high	97.8	Very high	30 Å²	30	46.4 Å²	46.4	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-45.1	176.8	-72.7	165.1	0	0	0	110.6	P102 E104 F108 S109 D110 R141 L146	P102-I106 HydrophobicContact CB-CD1 4.41Å; P102-I106 WeakPolarHBondContact O-CB 3.13Å; P102-I106 VanDerWaalsContact O-CD1 3.29Å; P102-I106 WeakPolarHBondContact O-CD1 3.37Å; P102-I106 WeakPolarHBondContact O-CG1 3.1Å; P102-I106 PolarHBondContact O-N 3.14Å; E104-I106 VanDerWaalsContact C-N 3.35Å; E104-I106 PolarHBondContact O-N 2.85Å; I106-F108 PolarHBondContact O-N 3.29Å; I106-S109 PolarHBondContact O-N 3.33Å; I106-D110 WeakPolarHBondContact CG2-OD2 3.43Å; I106-D110 WeakPolarHBondContact O-CB 3.47Å; I106-D110 VanDerWaalsContact O-CG 3.27Å; I106-D110 PolarHBondContact O-N 3.13Å; I106-R141 HydrophobicContact CD1-CG 3.88Å; I106-L146 HydrophobicContact CG1-CD2 4.37Å
107	S	98.4	Very high	97.8	Very high	49 Å²	49	51.1 Å²	51.1	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-41.4	-178.4	-172	0	0	0	0	112.5	T103 E104 K111 V202	T103-S107 VanDerWaalsContact O-CB 3.26Å; T103-S107 WeakPolarHBondContact O-CB 3.3Å; T103-S107 PolarHBondContact O-N 2.84Å; E104-S107 PolarHBondContact O-N 3.24Å; S107-K111 PolarHBondContact O-N 3.38Å; S107-V202 VanDerWaalsContact OG-CG2 3.23Å; S107-V202 WeakPolarHBondContact OG-CG2 3.34Å
108	F	98.8	Very high	97.8	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-43.6	172.7	-84.4	-67.7	0	0	0	112.1	V89 F91 E104 I105 I106 K111 A112 F115 V122 I151 L179 V202 T205	V89-F108 HydrophobicContact CG1-CE1 4.21Å; V89-F108 HydrophobicContact CG1-CZ 4.47Å; F91-F108 HydrophobicContact CD1-CD2 4.18Å; F91-F108 HydrophobicContact CD1-CE2 4.3Å; F91-F108 HydrophobicContact CE1-CB 4.41Å; F91-F108 AromaticContact CE1-CD2 3.94Å; F91-F108 HydrophobicContact CE1-CD2 3.94Å; F91-F108 HydrophobicContact CE1-CG 4.23Å; F91-F108 HydrophobicContact CE2-CD2 4.34Å; F91-F108 HydrophobicContact CG-CD2 4.49Å; F91-F108 HydrophobicContact CG-CE2 4.31Å; F91-F108 HydrophobicContact CZ-CD2 4.02Å; E104-F108 WeakPolarHBondContact O-CD2 3.39Å; E104-F108 PolarHBondContact O-N 2.97Å; I105-F108 PolarHBondContact O-N 3.42Å; I106-F108 PolarHBondContact O-N 3.29Å; F108-K111 CarbonylContact O-C 3.5Å; F108-K111 PolarHBondContact O-N 2.97Å; F108-A112 WeakPolarHBondContact O-CA 3.41Å; F108-A112 PolarHBondContact O-N 2.89Å; F108-F115 AromaticContact CD1-CE2 3.96Å; F108-F115 HydrophobicContact CD1-CE2 3.96Å; F108-F115 HydrophobicContact CD1-CZ 4.02Å; F108-F115 HydrophobicContact CE1-CE2 4.29Å; F108-F115 AromaticContact CE1-CZ 3.87Å; F108-F115 HydrophobicContact CE1-CZ 3.87Å; F108-V122 HydrophobicContact CB-CG1 4.11Å; F108-V122 HydrophobicContact CD1-CG1 3.83Å; F108-V122 HydrophobicContact CG-CG1 4.06Å; F108-I151 HydrophobicContact CB-CD1 3.94Å; F108-L179 HydrophobicContact CE2-CD1 4.33Å; F108-L179 HydrophobicContact CZ-CD1 3.71Å; F108-V202 HydrophobicContact CD1-CB 4.4Å; F108-V202 HydrophobicContact CD1-CG1 3.76Å; F108-V202 HydrophobicContact CD1-CG2 3.94Å; F108-V202 HydrophobicContact CD2-CG2 3.85Å; F108-V202 HydrophobicContact CE1-CB 4.25Å; F108-V202 HydrophobicContact CE1-CG1 3.88Å; F108-V202 HydrophobicContact CE1-CG2 3.95Å; F108-V202 HydrophobicContact CE2-CG2 3.86Å; F108-V202 HydrophobicContact CG-CG1 4.38Å; F108-V202 HydrophobicContact CG-CG2 3.87Å; F108-V202 HydrophobicContact CZ-CG2 3.91Å; F108-T205 HydrophobicContact CE1-CG2 4Å; F108-T205 HydrophobicContact CZ-CG2 4.26Å
109	S	98.5	Very high	97.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-48.9	178.6	170.1	0	0	0	0	112.3	I105 I106 K111 A112 I149 H150	I105-S109 WeakPolarHBondContact O-CB 3.43Å; I105-S109 PolarHBondContact O-N 3.22Å; I106-S109 PolarHBondContact O-N 3.33Å; S109-K111 PolarHBondContact O-N 2.85Å; S109-A112 VanDerWaalsContact O-CB 3.23Å; S109-A112 WeakPolarHBondContact O-CB 3.39Å; S109-A112 PolarHBondContact O-N 2.59Å; S109-A112 VanDerWaalsContact O-N 3.1Å; S109-I149 WeakPolarHBondContact OG-CA 3.42Å; S109-I149 WeakPolarHBondContact OG-CB 3.36Å; S109-H150 PolarHBondContact OG-N 3.49Å
110	D	98.4	Very high	98.2	Very high	93 Å²	93	40.9 Å²	40.9	50%	0.497	22%	0.215	S	C	.	.	H	α-helix	trans	-66.4	-25.3	-178	-68.4	-5.5	0	0	0	111.3	I106 R141	I106-D110 WeakPolarHBondContact CG2-OD2 3.43Å; I106-D110 WeakPolarHBondContact O-CB 3.47Å; I106-D110 VanDerWaalsContact O-CG 3.27Å; I106-D110 PolarHBondContact O-N 3.13Å; D110-R141 IonicContact OD1-CZ 3.48Å; D110-R141 IonicContact OD1-NH1 3.23Å; D110-R141 PolarHBondContact OD1-NH1 3.16Å; D110-R141 IonicContact OD1-NH2 2.78Å; D110-R141 PolarHBondContact OD1-NH2 2.93Å; D110-R141 IonicContact OD2-CZ 3.83Å; D110-R141 IonicContact OD2-NH1 2.89Å; D110-R141 PolarHBondContact OD2-NH1 3.21Å; D110-R141 IonicContact OD2-NH2 3.86Å
111	K	98.4	Very high	98.4	Very high	37 Å²	37	41.1 Å²	41.1	16%	0.161	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.2	174.5	-72.8	179.8	158.6	-92.1	0	114.6	S107 F108 S109 K113 E114 F115 V202 E203	S107-K111 PolarHBondContact O-N 3.38Å; F108-K111 CarbonylContact O-C 3.5Å; F108-K111 PolarHBondContact O-N 2.97Å; S109-K111 PolarHBondContact O-N 2.85Å; K111-K113 PolarHBondContact O-N 2.92Å; K111-E114 WeakPolarHBondContact CG-OE1 3.23Å; K111-E114 IonicContact NZ-OE1 3.65Å; K111-E114 PolarHBondContact NZ-OE1 2.8Å; K111-E114 IonicContact NZ-OE2 3.73Å; K111-E114 WeakPolarHBondContact O-CB 3.36Å; K111-E114 PolarHBondContact O-N 3.41Å; K111-F115 HydrophobicContact CB-CE2 4.35Å; K111-F115 WeakPolarHBondContact O-CD2 3.45Å; K111-V202 HydrophobicContact CB-CG1 4.16Å; K111-V202 HydrophobicContact CD-CB 4.28Å; K111-V202 HydrophobicContact CD-CG1 3.58Å; K111-V202 HydrophobicContact CG-CG1 4.47Å; K111-E203 WeakPolarHBondContact CE-OE1 3.12Å; K111-E203 IonicContact NZ-OE1 3.46Å; K111-E203 PolarHBondContact NZ-OE1 3.1Å; K111-E203 IonicContact NZ-OE2 2.66Å; K111-E203 PolarHBondContact NZ-OE2 3.13Å
112	A	98.3	Very high	98.6	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-36.1	-173.3	0	0	0	0	0	112.3	F108 S109 E114 F115 H116 H150 I151	F108-A112 WeakPolarHBondContact O-CA 3.41Å; F108-A112 PolarHBondContact O-N 2.89Å; S109-A112 VanDerWaalsContact O-CB 3.23Å; S109-A112 WeakPolarHBondContact O-CB 3.39Å; S109-A112 PolarHBondContact O-N 2.59Å; S109-A112 VanDerWaalsContact O-N 3.1Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-E114 PolarHBondContact O-N 3.45Å; A112-F115 PolarHBondContact O-N 3.19Å; A112-F115 VanDerWaalsContact O-N 3.15Å; A112-H116 VanDerWaalsContact O-CG 3.27Å; A112-H116 PolarHBondContact O-N 3.05Å; A112-H150 HydrophobicContact CB-CB 3.95Å; A112-I151 HydrophobicContact CB-CG2 3.89Å
113	K	98.5	Very high	98.6	Very high	131 Å²	131	40.8 Å²	40.8	57%	0.57	21%	0.212	S	C	*	.	H	α-helix	trans	-57.9	-40.3	175.4	-168	-169.3	179.8	-52.1	0	112.8	K111 F115 H116 D117	K111-K113 PolarHBondContact O-N 2.92Å; K113-F115 VanDerWaalsContact C-N 3.26Å; K113-F115 PolarHBondContact O-N 3.43Å; K113-H116 PolarHBondContact O-N 3.49Å; K113-D117 IonicContact NZ-OD1 2.75Å; K113-D117 PolarHBondContact NZ-OD1 3.03Å; K113-D117 IonicContact NZ-OD2 2.69Å; K113-D117 PolarHBondContact NZ-OD2 2.92Å; K113-D117 WeakPolarHBondContact O-CB 3.4Å; K113-D117 PolarHBondContact O-N 3.02Å
114	E	98.7	Very high	98.6	Very high	72 Å²	72	36.8 Å²	36.8	34%	0.336	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-30.8	-179.9	-61.1	-171.1	-120.2	0	0	112.4	K111 A112 L206	K111-E114 WeakPolarHBondContact CG-OE1 3.23Å; K111-E114 IonicContact NZ-OE1 3.65Å; K111-E114 PolarHBondContact NZ-OE1 2.8Å; K111-E114 IonicContact NZ-OE2 3.73Å; K111-E114 WeakPolarHBondContact O-CB 3.36Å; K111-E114 PolarHBondContact O-N 3.41Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-E114 PolarHBondContact O-N 3.45Å; E114-L206 HydrophobicContact CB-CD1 4.46Å; E114-L206 HydrophobicContact CB-CD2 3.84Å; E114-L206 VanDerWaalsContact OE2-CD2 3.24Å; E114-L206 WeakPolarHBondContact OE2-CD2 3.46Å
115	F	98.8	Very high	98.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-74.2	-44.8	172.1	-69	-86.8	0	0	0	111	V89 F108 K111 A112 K113 D117 V118 N119 C120 V122 V202 T205 L206 V209	V89-F115 HydrophobicContact CG2-CD1 4.25Å; V89-F115 HydrophobicContact CG2-CE1 4.04Å; F108-F115 AromaticContact CD1-CE2 3.96Å; F108-F115 HydrophobicContact CD1-CE2 3.96Å; F108-F115 HydrophobicContact CD1-CZ 4.02Å; F108-F115 HydrophobicContact CE1-CE2 4.29Å; F108-F115 AromaticContact CE1-CZ 3.87Å; F108-F115 HydrophobicContact CE1-CZ 3.87Å; K111-F115 HydrophobicContact CB-CE2 4.35Å; K111-F115 WeakPolarHBondContact O-CD2 3.45Å; A112-F115 PolarHBondContact O-N 3.19Å; A112-F115 VanDerWaalsContact O-N 3.15Å; K113-F115 VanDerWaalsContact C-N 3.26Å; K113-F115 PolarHBondContact O-N 3.43Å; F115-D117 VanDerWaalsContact C-N 3.31Å; F115-D117 PolarHBondContact O-N 3.32Å; F115-V118 CarbonylContact O-C 3.51Å; F115-V118 WeakPolarHBondContact O-CG2 3.37Å; F115-V118 PolarHBondContact O-N 2.95Å; F115-V118 VanDerWaalsContact O-N 3.09Å; F115-N119 PolarHBondContact O-N 2.99Å; F115-C120 CarbonylContact C-O 3.53Å; F115-C120 HydrophobicContact CB-CB 4.14Å; F115-C120 WeakPolarHBondContact CB-O 3.26Å; F115-C120 HydrophobicContact CD1-CB 4.38Å; F115-C120 WeakPolarHBondContact O-CA 3.33Å; F115-C120 WeakPolarHBondContact O-CB 3.2Å; F115-C120 PolarHBondContact O-N 2.81Å; F115-C120 VanDerWaalsContact O-O 3.12Å; F115-V122 HydrophobicContact CB-CG2 3.81Å; F115-V122 HydrophobicContact CD1-CG2 3.9Å; F115-V122 HydrophobicContact CD2-CG2 3.78Å; F115-V122 HydrophobicContact CE1-CG2 4.43Å; F115-V122 HydrophobicContact CE2-CG2 4.33Å; F115-V122 HydrophobicContact CG-CG2 3.55Å; F115-V202 HydrophobicContact CE2-CG1 3.78Å; F115-V202 HydrophobicContact CZ-CG1 3.96Å; F115-T205 HydrophobicContact CE1-CG2 4.11Å; F115-T205 HydrophobicContact CZ-CG2 4.32Å; F115-L206 HydrophobicContact CD1-CD1 3.87Å; F115-L206 HydrophobicContact CE1-CB 4.03Å; F115-L206 HydrophobicContact CE1-CD1 3.88Å; F115-L206 HydrophobicContact CG-CD1 4.2Å; F115-L206 HydrophobicContact CZ-CB 3.85Å; F115-L206 HydrophobicContact CZ-CD1 4.21Å; F115-V209 HydrophobicContact CE1-CG2 4.39Å
116	H	98.6	Very high	98.7	Very high	81 Å²	81	36.5 Å²	36.5	38%	0.375	19%	0.186	S	C	.	.	H	α-helix	trans	-60.7	-39.4	177.7	-61	161.1	0	0	0	112.4	A112 K113 V118 N119 C120 E121	A112-H116 VanDerWaalsContact O-CG 3.27Å; A112-H116 PolarHBondContact O-N 3.05Å; K113-H116 PolarHBondContact O-N 3.49Å; H116-V118 PolarHBondContact O-N 3.4Å; H116-V118 VanDerWaalsContact O-N 3.13Å; H116-N119 PolarHBondContact O-N 3.19Å; H116-C120 PolarHBondContact CD2-O 2.81Å; H116-C120 PolarHBondContact N-O 2.82Å; H116-E121 IonicContact CD2-OE2 2.81Å; H116-E121 IonicContact NE2-OE2 3.92Å; H116-E121 PolarHBondContact NE2-OE2 2.93Å
117	D	98.6	Very high	98.7	Very high	108 Å²	108	35.5 Å²	35.5	58%	0.578	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.8	178.4	-72.7	-12.9	0	0	0	112.5	K113 F115	K113-D117 IonicContact NZ-OD1 2.75Å; K113-D117 PolarHBondContact NZ-OD1 3.03Å; K113-D117 IonicContact NZ-OD2 2.69Å; K113-D117 PolarHBondContact NZ-OD2 2.92Å; K113-D117 WeakPolarHBondContact O-CB 3.4Å; K113-D117 PolarHBondContact O-N 3.02Å; F115-D117 VanDerWaalsContact C-N 3.31Å; F115-D117 PolarHBondContact O-N 3.32Å
118	V	98.4	Very high	98.7	Very high	34 Å²	34	34.5 Å²	34.5	21%	0.206	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	25.4	174.6	-58.3	0	0	0	0	112.7	F115 H116 C120 L206 V209 K210 Q213	F115-V118 CarbonylContact O-C 3.51Å; F115-V118 WeakPolarHBondContact O-CG2 3.37Å; F115-V118 PolarHBondContact O-N 2.95Å; F115-V118 VanDerWaalsContact O-N 3.09Å; H116-V118 PolarHBondContact O-N 3.4Å; H116-V118 VanDerWaalsContact O-N 3.13Å; V118-C120 VanDerWaalsContact C-N 3.3Å; V118-C120 HydrophobicContact CG2-CB 4.17Å; V118-C120 PolarHBondContact O-N 3.24Å; V118-L206 HydrophobicContact CG2-CD1 4.43Å; V118-V209 HydrophobicContact CG2-CG1 4.1Å; V118-K210 HydrophobicContact CG1-CG 4.46Å; V118-Q213 PolarHBondContact O-NE2 2.92Å
119	N	98.7	Very high	98.7	Very high	83 Å²	83	35.7 Å²	35.7	44%	0.444	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	42	179.5	-168	46.4	0	0	0	113.5	G85 K86 Y87 F115 H116	G85-N119 PolarHBondContact O-ND2 2.84Å; K86-N119 WeakPolarHBondContact CG-OD1 3.37Å; Y87-N119 PolarHBondContact N-O 2.9Å; F115-N119 PolarHBondContact O-N 2.99Å; H116-N119 PolarHBondContact O-N 3.19Å
120	C	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131	176.8	-175	0	0	0	0	110.7	Y87 F115 H116 V118 V209	Y87-C120 CarbonylContact O-C 3.58Å; Y87-C120 VanDerWaalsContact O-CA 3.32Å; Y87-C120 WeakPolarHBondContact O-CA 3.19Å; F115-C120 CarbonylContact C-O 3.53Å; F115-C120 HydrophobicContact CB-CB 4.14Å; F115-C120 WeakPolarHBondContact CB-O 3.26Å; F115-C120 HydrophobicContact CD1-CB 4.38Å; F115-C120 WeakPolarHBondContact O-CA 3.33Å; F115-C120 WeakPolarHBondContact O-CB 3.2Å; F115-C120 PolarHBondContact O-N 2.81Å; F115-C120 VanDerWaalsContact O-O 3.12Å; H116-C120 PolarHBondContact CD2-O 2.81Å; H116-C120 PolarHBondContact N-O 2.82Å; V118-C120 VanDerWaalsContact C-N 3.3Å; V118-C120 HydrophobicContact CG2-CB 4.17Å; V118-C120 PolarHBondContact O-N 3.24Å; C120-V209 HydrophobicContact CB-CG1 3.99Å
121	E	98.8	Very high	98.7	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.192	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	157.3	172.2	-61.4	-67.6	163.4	0	0	110.3	F83 K86 Y87 L88 V89 H116	F83-E121 HydrophobicContact CD1-CB 3.68Å; F83-E121 HydrophobicContact CD1-CG 3.81Å; F83-E121 HydrophobicContact CE1-CB 3.74Å; F83-E121 HydrophobicContact CE1-CG 4.03Å; K86-E121 HydrophobicContact CD-CG 3.64Å; K86-E121 IonicContact NZ-OE1 2.72Å; K86-E121 PolarHBondContact NZ-OE1 3.43Å; Y87-E121 PolarHBondContact O-N 3.26Å; L88-E121 HydrophobicContact CD1-CB 4.37Å; V89-E121 PolarHBondContact N-O 2.52Å; H116-E121 IonicContact CD2-OE2 2.81Å; H116-E121 IonicContact NE2-OE2 3.92Å; H116-E121 PolarHBondContact NE2-OE2 2.93Å
122	V	98.9	Very high	98.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.2	178.1	-175.1	0	0	0	0	109.3	V89 F91 F108 F115 I151 P152	V89-V122 HydrophobicContact CB-CB 4.5Å; V89-V122 HydrophobicContact CB-CG1 4.28Å; V89-V122 HydrophobicContact CB-CG2 4.19Å; V89-V122 HydrophobicContact CG1-CG1 4.25Å; V89-V122 CarbonylContact O-C 3.59Å; V89-V122 WeakPolarHBondContact O-CA 3.41Å; F91-V122 HydrophobicContact CD1-CG1 4Å; F91-V122 HydrophobicContact CE1-CG1 3.81Å; F108-V122 HydrophobicContact CB-CG1 4.11Å; F108-V122 HydrophobicContact CD1-CG1 3.83Å; F108-V122 HydrophobicContact CG-CG1 4.06Å; F115-V122 HydrophobicContact CB-CG2 3.81Å; F115-V122 HydrophobicContact CD1-CG2 3.9Å; F115-V122 HydrophobicContact CD2-CG2 3.78Å; F115-V122 HydrophobicContact CE1-CG2 4.43Å; F115-V122 HydrophobicContact CE2-CG2 4.33Å; F115-V122 HydrophobicContact CG-CG2 3.55Å; V122-I151 HydrophobicContact CB-CG2 3.95Å; V122-I151 HydrophobicContact CG1-CD1 4.45Å; V122-I151 HydrophobicContact CG1-CG2 4.3Å; V122-P152 WeakPolarHBondContact O-CD 3.27Å
123	V	98.9	Very high	98.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.2	-178.7	-179	0	0	0	0	109.7	F83 L88 V89 L90 F91 V125 P152 L154	F83-V123 HydrophobicContact CE1-CG2 3.83Å; F83-V123 HydrophobicContact CE2-CG2 4.16Å; F83-V123 HydrophobicContact CZ-CG2 3.43Å; F83-V123 VanDerWaalsContact CZ-CG2 3.43Å; L88-V123 HydrophobicContact CD1-CB 4.16Å; L88-V123 HydrophobicContact CD1-CG2 3.55Å; V89-V123 PolarHBondContact O-N 3.42Å; L90-V123 HydrophobicContact CD1-CB 3.85Å; L90-V123 HydrophobicContact CD1-CG1 3.9Å; F91-V123 VanDerWaalsContact CD1-O 3.24Å; F91-V123 WeakPolarHBondContact CD1-O 3.23Å; F91-V123 PolarHBondContact N-O 3.35Å; V123-V125 HydrophobicContact CG1-CG2 4.38Å; V123-P152 HydrophobicContact CB-CG 4.26Å; V123-P152 HydrophobicContact CG1-CG 4.2Å; V123-P152 HydrophobicContact CG2-CG 3.77Å; V123-L154 HydrophobicContact CG1-CB 4.15Å
124	G	98.8	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.8	171.2	0	0	0	0	0	111.3	F91 P152 L153 L154	F91-G124 VanDerWaalsContact CE1-CA 3.47Å; F91-G124 CarbonylContact O-C 3.08Å; F91-G124 WeakPolarHBondContact O-CA 3.46Å; G124-P152 PolarHBondContact N-O 3.27Å; G124-P152 VanDerWaalsContact N-O 3.08Å; G124-L153 CarbonylContact O-C 3.39Å; G124-L153 WeakPolarHBondContact O-CA 3.46Å; G124-L154 PolarHBondContact O-N 2.93Å
125	V	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.3	-179.8	-167.6	0	0	0	0	110.3	L90 F91 F92 Y93 V123 L154 D156	L90-V125 HydrophobicContact CD1-CG2 3.47Å; L90-V125 VanDerWaalsContact CD1-CG2 3.47Å; L90-V125 HydrophobicContact CG-CG2 4.1Å; F91-V125 PolarHBondContact O-N 2.98Å; F92-V125 CarbonylContact C-O 3.52Å; F92-V125 VanDerWaalsContact CA-O 3.23Å; F92-V125 WeakPolarHBondContact CA-O 3.12Å; F92-V125 HydrophobicContact CD1-CB 3.74Å; F92-V125 HydrophobicContact CD1-CG1 3.82Å; F92-V125 HydrophobicContact CE1-CB 3.87Å; F92-V125 HydrophobicContact CE1-CG1 3.65Å; F92-V125 HydrophobicContact CE1-CG2 4.34Å; F92-V125 HydrophobicContact CG-CB 4.26Å; F92-V125 HydrophobicContact CZ-CB 4.49Å; F92-V125 HydrophobicContact CZ-CG1 4.49Å; F92-V125 HydrophobicContact CZ-CG2 4.5Å; Y93-V125 VanDerWaalsContact CD1-O 3.24Å; Y93-V125 WeakPolarHBondContact CD1-O 3.34Å; Y93-V125 WeakPolarHBondContact CE1-O 3.25Å; Y93-V125 PolarHBondContact N-O 3.13Å; V123-V125 HydrophobicContact CG1-CG2 4.38Å; V125-L154 HydrophobicContact CG1-CB 4.33Å; V125-L154 HydrophobicContact CG1-CD2 4.25Å; V125-L154 HydrophobicContact CG2-CB 4.09Å; V125-L154 HydrophobicContact CG2-CD2 4.11Å; V125-D156 HydrophobicContact CG1-CB 3.99Å
126	S	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	177.5	161.7	83.5	0	0	0	0	110.8	Y93 D128 H133 L154 D156	Y93-S126 VanDerWaalsContact CE2-CB 3.44Å; Y93-S126 VanDerWaalsContact O-CB 3.27Å; Y93-S126 WeakPolarHBondContact O-CB 3.44Å; S126-D128 PolarHBondContact O-N 2.7Å; S126-D128 WeakPolarHBondContact OG-CB 3.44Å; S126-D128 PolarHBondContact OG-N 3.42Å; S126-D128 PolarHBondContact OG-OD2 3.43Å; S126-H133 PolarHBondContact OG-CE1 2.86Å; S126-H133 VanDerWaalsContact OG-CE1 3.3Å; S126-L154 PolarHBondContact N-O 3.28Å; S126-D156 WeakPolarHBondContact O-CB 3.27Å; S126-D156 PolarHBondContact O-N 2.96Å
127	V	98.8	Very high	98.8	Very high	9 Å²	9	31 Å²	31	6%	0.055	17%	0.168	C	C	.	.	S	Bend	trans	-81.8	1.2	179.3	-58.6	0	0	0	0	113.3	L95 D156 K159 L168	L95-V127 HydrophobicContact CD2-CG2 4.06Å; V127-D156 WeakPolarHBondContact CA-O 3.46Å; V127-K159 HydrophobicContact CB-CG 4.1Å; V127-K159 HydrophobicContact CG1-CG 3.77Å; V127-L168 HydrophobicContact CG1-CD1 4.33Å
128	D	98.9	Very high	98.7	Very high	29 Å²	29	31.3 Å²	31.3	16%	0.155	17%	0.17	C	C	.	.	S	Bend	trans	-75.7	162.9	-180	-61.2	-73.6	0	0	0	111.5	L95 D96 S126 T132 S155	L95-D128 WeakPolarHBondContact CA-OD2 3.2Å; D96-D128 HydrophobicContact CB-CB 4.38Å; D96-D128 PolarHBondContact N-OD2 2.94Å; S126-D128 PolarHBondContact O-N 2.7Å; S126-D128 WeakPolarHBondContact OG-CB 3.44Å; S126-D128 PolarHBondContact OG-N 3.42Å; S126-D128 PolarHBondContact OG-OD2 3.43Å; D128-T132 HydrophobicContact CB-CG2 4.37Å; D128-S155 WeakPolarHBondContact O-CB 3.3Å; D128-S155 PolarHBondContact O-OG 2.75Å
129	S	98.8	Very high	98.7	Very high	26 Å²	26	31.4 Å²	31.4	18%	0.182	17%	0.171	C	C	.	.			trans	-76.9	151.5	177	80.5	0	0	0	0	111.5	F131 T132 H133 S155	S129-F131 PolarHBondContact O-N 3.08Å; S129-F131 VanDerWaalsContact O-N 3.16Å; S129-F131 PolarHBondContact OG-N 2.91Å; S129-T132 WeakPolarHBondContact O-CA 3.3Å; S129-T132 WeakPolarHBondContact O-CB 3.43Å; S129-T132 PolarHBondContact O-N 3.12Å; S129-T132 PolarHBondContact OG-N 3.25Å; S129-T132 VanDerWaalsContact OG-N 3.09Å; S129-T132 PolarHBondContact OG-OG1 3.25Å; S129-H133 PolarHBondContact O-N 3.43Å; S129-S155 WeakPolarHBondContact CA-OG 3.4Å
130	H	98.7	Very high	98.7	Very high	38 Å²	38	31.3 Å²	31.3	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-25	171.9	52.9	-86.6	0	0	0	112.9	T68 V70 F75 L134 S155	T68-H130 HydrophobicContact CG2-CB 4.08Å; V70-H130 HydrophobicContact CG2-CB 4.02Å; V70-H130 WeakPolarHBondContact CG2-O 3.47Å; F75-H130 HydrophobicContact CD1-CB 4.29Å; F75-H130 AromaticContact CD1-CD2 3.93Å; F75-H130 AromaticContact CD2-CD2 3.96Å; F75-H130 HydrophobicContact CE1-CB 4.3Å; F75-H130 AromaticContact CE1-CD2 3.85Å; F75-H130 AromaticContact CE2-CD2 3.88Å; F75-H130 AromaticContact CG-CD2 3.99Å; F75-H130 AromaticContact CZ-CD2 3.84Å; H130-L134 PolarHBondContact O-N 2.99Å; H130-L134 VanDerWaalsContact O-N 3.11Å; H130-S155 PolarHBondContact N-OG 2.88Å
131	F	98.8	Very high	98.7	Very high	131 Å²	131	35.8 Å²	35.8	58%	0.575	19%	0.192	S	C	*	.	H	α-helix	trans	-67.6	-42.1	170.5	-60.7	-74	0	0	0	112.2	F75 S129 L134 A135	F75-F131 AromaticContact CE2-CD1 3.96Å; F75-F131 HydrophobicContact CE2-CD1 3.96Å; F75-F131 AromaticContact CE2-CE1 3.64Å; F75-F131 HydrophobicContact CE2-CE1 3.64Å; F75-F131 HydrophobicContact CE2-CZ 4.4Å; F75-F131 AromaticContact CZ-CD1 3.73Å; F75-F131 HydrophobicContact CZ-CD1 3.73Å; F75-F131 AromaticContact CZ-CE1 3.93Å; F75-F131 HydrophobicContact CZ-CE1 3.93Å; S129-F131 PolarHBondContact O-N 3.08Å; S129-F131 VanDerWaalsContact O-N 3.16Å; S129-F131 PolarHBondContact OG-N 2.91Å; F131-L134 PolarHBondContact O-N 3.17Å; F131-A135 PolarHBondContact O-N 2.83Å
132	T	98.8	Very high	98.6	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-45.2	175.8	-49.2	0	0	0	0	110.5	D96 F97 D128 S129 L134 A135 W136	D96-T132 HydrophobicContact CB-CG2 3.8Å; D96-T132 VanDerWaalsContact OD2-C 3.32Å; D96-T132 VanDerWaalsContact OD2-CG2 3.26Å; D96-T132 WeakPolarHBondContact OD2-CG2 3.4Å; F97-T132 HydrophobicContact CD2-CG2 4.09Å; F97-T132 HydrophobicContact CE2-CG2 3.79Å; D128-T132 HydrophobicContact CB-CG2 4.37Å; S129-T132 WeakPolarHBondContact O-CA 3.3Å; S129-T132 WeakPolarHBondContact O-CB 3.43Å; S129-T132 PolarHBondContact O-N 3.12Å; S129-T132 PolarHBondContact OG-N 3.25Å; S129-T132 VanDerWaalsContact OG-N 3.09Å; S129-T132 PolarHBondContact OG-OG1 3.25Å; T132-L134 VanDerWaalsContact C-N 3.35Å; T132-L134 PolarHBondContact O-N 3.22Å; T132-A135 WeakPolarHBondContact O-CB 3.36Å; T132-A135 PolarHBondContact O-N 3.02Å; T132-W136 WeakPolarHBondContact O-CB 3.37Å; T132-W136 PolarHBondContact O-N 3.38Å
133	H	98.8	Very high	98.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.8	-48.3	175.2	-67.2	-18.8	0	0	0	111.9	V70 Y93 D96 S126 S129 A135 W136 I137 L153 L154	V70-H133 HydrophobicContact CB-CB 4.35Å; V70-H133 HydrophobicContact CG2-CB 3.61Å; Y93-H133 PolarHBondContact OH-CE1 2.62Å; Y93-H133 PolarHBondContact OH-ND1 3.41Å; D96-H133 IonicContact OD1-CE1 2.75Å; D96-H133 IonicContact OD1-ND1 2.69Å; D96-H133 PolarHBondContact OD1-ND1 2.97Å; D96-H133 WeakPolarHBondContact OD2-CA 3.43Å; D96-H133 IonicContact OD2-CE1 3.79Å; D96-H133 IonicContact OD2-CG 3.81Å; D96-H133 PolarHBondContact OD2-N 3.31Å; D96-H133 IonicContact OD2-ND1 2.86Å; D96-H133 PolarHBondContact OD2-ND1 3.05Å; S126-H133 PolarHBondContact OG-CE1 2.86Å; S126-H133 VanDerWaalsContact OG-CE1 3.3Å; S129-H133 PolarHBondContact O-N 3.43Å; H133-A135 PolarHBondContact O-N 2.89Å; H133-W136 PolarHBondContact O-N 3.16Å; H133-W136 VanDerWaalsContact O-N 3.16Å; H133-I137 VanDerWaalsContact O-CG1 3.29Å; H133-I137 WeakPolarHBondContact O-CG1 3.37Å; H133-I137 PolarHBondContact O-N 2.76Å; H133-L153 HydrophobicContact CB-CB 4.32Å; H133-L153 HydrophobicContact CB-CD1 4.36Å; H133-L153 PolarHBondContact CD2-O 3.49Å; H133-L154 PolarHBondContact NE2-O 3.23Å
134	L	98.6	Very high	98.4	Very high	40 Å²	40	49.6 Å²	49.6	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-41.7	179.1	-179.3	61.8	0	0	0	111.7	V70 F75 H130 F131 T132 W136 I137 N138	V70-L134 HydrophobicContact CG1-CB 4.31Å; V70-L134 HydrophobicContact CG1-CD1 4.05Å; V70-L134 HydrophobicContact CG2-CB 4.29Å; F75-L134 HydrophobicContact CE1-CB 4.03Å; F75-L134 HydrophobicContact CE1-CD2 3.83Å; F75-L134 HydrophobicContact CZ-CB 4.46Å; F75-L134 HydrophobicContact CZ-CD2 3.75Å; H130-L134 PolarHBondContact O-N 2.99Å; H130-L134 VanDerWaalsContact O-N 3.11Å; F131-L134 PolarHBondContact O-N 3.17Å; T132-L134 VanDerWaalsContact C-N 3.35Å; T132-L134 PolarHBondContact O-N 3.22Å; L134-W136 VanDerWaalsContact C-N 3.28Å; L134-W136 PolarHBondContact O-N 2.73Å; L134-I137 PolarHBondContact O-N 3Å; L134-N138 WeakPolarHBondContact O-CB 3.45Å; L134-N138 VanDerWaalsContact O-CG 3.23Å; L134-N138 PolarHBondContact O-N 2.87Å; L134-N138 PolarHBondContact O-ND2 2.82Å
135	A	98.7	Very high	98.4	Very high	48 Å²	48	49.6 Å²	49.6	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-38.5	174.6	0	0	0	0	0	111.9	F97 F131 T132 H133 N138 T139	F97-A135 HydrophobicContact CZ-CB 4.35Å; F131-A135 PolarHBondContact O-N 2.83Å; T132-A135 WeakPolarHBondContact O-CB 3.36Å; T132-A135 PolarHBondContact O-N 3.02Å; H133-A135 PolarHBondContact O-N 2.89Å; A135-N138 PolarHBondContact O-N 3.35Å; A135-T139 PolarHBondContact O-N 2.91Å; A135-T139 VanDerWaalsContact O-N 3.12Å; A135-T139 PolarHBondContact O-OG1 3.29Å
136	W	98.6	Very high	98.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-73.7	-36.5	-179.8	-161.3	29.6	0	0	0	113.1	Y93 D96 F97 C101 P102 I105 T132 H133 L134 N138 T139 G144 L146	Y93-W136 AromaticContact CE2-CZ3 3.8Å; Y93-W136 HydrophobicContact CE2-CZ3 3.8Å; D96-W136 HydrophobicContact CB-CD2 4.08Å; D96-W136 HydrophobicContact CB-CE3 3.73Å; D96-W136 HydrophobicContact CB-CZ3 4.14Å; D96-W136 VanDerWaalsContact CG-CE3 3.45Å; D96-W136 WeakPolarHBondContact OD1-CZ3 3.32Å; F97-W136 AromaticContact CD1-CD1 3.4Å; F97-W136 VanDerWaalsContact CD1-CD1 3.4Å; F97-W136 HydrophobicContact CD1-CG 4.19Å; F97-W136 AromaticContact CD1-NE1 3.82Å; F97-W136 HydrophobicContact CD2-CB 4.32Å; F97-W136 HydrophobicContact CD2-CG 4.16Å; F97-W136 HydrophobicContact CE1-CB 4.16Å; F97-W136 AromaticContact CE1-CD1 3.33Å; F97-W136 AromaticContact CE1-CG 4Å; F97-W136 HydrophobicContact CE1-CG 4Å; F97-W136 HydrophobicContact CE2-CB 3.66Å; F97-W136 AromaticContact CE2-CG 3.95Å; F97-W136 HydrophobicContact CE2-CG 3.95Å; F97-W136 AromaticContact CG-CD1 3.83Å; F97-W136 HydrophobicContact CG-CG 4.28Å; F97-W136 VanDerWaalsContact CZ-CA 3.5Å; F97-W136 HydrophobicContact CZ-CB 3.57Å; F97-W136 AromaticContact CZ-CD1 3.69Å; F97-W136 AromaticContact CZ-CG 3.87Å; F97-W136 HydrophobicContact CZ-CG 3.87Å; F97-W136 VanDerWaalsContact N-CE2 3.27Å; C101-W136 HydrophobicContact CB-CH2 3.89Å; P102-W136 HydrophobicContact CB-CH2 4.06Å; P102-W136 HydrophobicContact CB-CZ2 3.55Å; P102-W136 HydrophobicContact CG-CH2 4.42Å; P102-W136 HydrophobicContact CG-CZ2 3.84Å; I105-W136 HydrophobicContact CD1-CE3 4.5Å; I105-W136 HydrophobicContact CD1-CH2 3.85Å; I105-W136 HydrophobicContact CD1-CZ3 3.48Å; I105-W136 VanDerWaalsContact CD1-CZ3 3.48Å; T132-W136 WeakPolarHBondContact O-CB 3.37Å; T132-W136 PolarHBondContact O-N 3.38Å; H133-W136 PolarHBondContact O-N 3.16Å; H133-W136 VanDerWaalsContact O-N 3.16Å; L134-W136 VanDerWaalsContact C-N 3.28Å; L134-W136 PolarHBondContact O-N 2.73Å; W136-N138 VanDerWaalsContact C-N 3.32Å; W136-T139 WeakPolarHBondContact O-CB 3.35Å; W136-T139 PolarHBondContact O-N 2.85Å; W136-T139 VanDerWaalsContact O-N 3.14Å; W136-G144 PolarHBondContact NE1-O 2.83Å; W136-L146 HydrophobicContact CD2-CD1 3.88Å; W136-L146 HydrophobicContact CD2-CD2 4.13Å; W136-L146 HydrophobicContact CD2-CG 3.71Å; W136-L146 HydrophobicContact CE3-CD1 3.55Å; W136-L146 HydrophobicContact CE3-CD2 4.13Å; W136-L146 HydrophobicContact CE3-CG 3.86Å; W136-L146 HydrophobicContact CG-CD1 4.36Å; W136-L146 HydrophobicContact CG-CG 4.11Å; W136-L146 HydrophobicContact CH2-CD2 3.96Å; W136-L146 HydrophobicContact CZ2-CD2 3.96Å; W136-L146 HydrophobicContact CZ2-CG 4.45Å; W136-L146 HydrophobicContact CZ3-CD1 4.01Å; W136-L146 HydrophobicContact CZ3-CD2 4.03Å; W136-L146 HydrophobicContact CZ3-CG 4.27Å; W136-L146 PolarHBondContact O-N 3.44Å; W136-L146 VanDerWaalsContact O-N 3.09Å
137	I	98.5	Very high	98.2	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.092	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-44.6	168.5	-70.7	166.4	0	0	0	110.5	V70 H133 L134 T139 L146 G147 I149 L153	V70-I137 HydrophobicContact CB-CD1 4.05Å; V70-I137 HydrophobicContact CG1-CD1 3.64Å; H133-I137 VanDerWaalsContact O-CG1 3.29Å; H133-I137 WeakPolarHBondContact O-CG1 3.37Å; H133-I137 PolarHBondContact O-N 2.76Å; L134-I137 PolarHBondContact O-N 3Å; I137-T139 PolarHBondContact O-N 2.81Å; I137-L146 HydrophobicContact CG1-CD1 4.09Å; I137-G147 CarbonylContact O-C 3.59Å; I137-G147 VanDerWaalsContact O-CA 3.22Å; I137-G147 WeakPolarHBondContact O-CA 3.31Å; I137-G147 PolarHBondContact O-N 2.79Å; I137-I149 HydrophobicContact CD1-CD1 3.79Å; I137-I149 HydrophobicContact CD1-CG1 4.18Å; I137-I149 HydrophobicContact CG1-CD1 3.75Å; I137-I149 HydrophobicContact CG1-CG1 4.07Å; I137-L153 HydrophobicContact CD1-CD1 4.26Å; I137-L153 HydrophobicContact CG1-CD1 4.37Å
138	N	98.3	Very high	98	Very high	116 Å²	116	55.6 Å²	55.6	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.9	178.1	-69	-26.4	0	0	0	113.6	L134 A135 W136	L134-N138 WeakPolarHBondContact O-CB 3.45Å; L134-N138 VanDerWaalsContact O-CG 3.23Å; L134-N138 PolarHBondContact O-N 2.87Å; L134-N138 PolarHBondContact O-ND2 2.82Å; A135-N138 PolarHBondContact O-N 3.35Å; W136-N138 VanDerWaalsContact C-N 3.32Å
139	T	98.4	Very high	98	Very high	35 Å²	35	54.6 Å²	54.6	22%	0.215	31%	0.306	C	S	.	.	S	Bend	trans	-82.2	130.1	175.7	-58.4	0	0	0	0	109.7	A135 W136 I137 A143 G145 L146 G147	A135-T139 PolarHBondContact O-N 2.91Å; A135-T139 VanDerWaalsContact O-N 3.12Å; A135-T139 PolarHBondContact O-OG1 3.29Å; W136-T139 WeakPolarHBondContact O-CB 3.35Å; W136-T139 PolarHBondContact O-N 2.85Å; W136-T139 VanDerWaalsContact O-N 3.14Å; I137-T139 PolarHBondContact O-N 2.81Å; T139-A143 HydrophobicContact CG2-CB 4.14Å; T139-G145 CarbonylContact O-C 3.54Å; T139-G145 VanDerWaalsContact O-CA 3.3Å; T139-G145 WeakPolarHBondContact O-CA 3.43Å; T139-L146 PolarHBondContact O-N 3.08Å; T139-G147 PolarHBondContact O-N 2.74Å; T139-G147 VanDerWaalsContact O-N 3.08Å
140	P	98.2	Very high	97.9	Very high	81 Å²	81	58 Å²	58	53%	0.526	32%	0.319	S	S	.	.			trans	-62.1	143.8	178.4	-24.5	34.2	0	0	0	113	K142 A143 G145	P140-K142 PolarHBondContact O-N 3.46Å; P140-K142 VanDerWaalsContact O-N 3.13Å; P140-A143 WeakPolarHBondContact O-CA 3.36Å; P140-A143 PolarHBondContact O-N 3.01Å; P140-G145 PolarHBondContact O-N 2.92Å; P140-G145 VanDerWaalsContact O-N 3.09Å
141	R	98.1	Very high	97.9	Very high	94 Å²	94	56.3 Å²	56.3	36%	0.355	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-52.5	-36.7	175.7	-66.2	-174.6	-177.4	-172.6	3.1	113.3	I106 D110 A143 G144 G145 L146 N148	I106-R141 HydrophobicContact CD1-CG 3.88Å; D110-R141 IonicContact OD1-CZ 3.48Å; D110-R141 IonicContact OD1-NH1 3.23Å; D110-R141 PolarHBondContact OD1-NH1 3.16Å; D110-R141 IonicContact OD1-NH2 2.78Å; D110-R141 PolarHBondContact OD1-NH2 2.93Å; D110-R141 IonicContact OD2-CZ 3.83Å; D110-R141 IonicContact OD2-NH1 2.89Å; D110-R141 PolarHBondContact OD2-NH1 3.21Å; D110-R141 IonicContact OD2-NH2 3.86Å; R141-A143 PolarHBondContact O-N 3.37Å; R141-G144 PolarHBondContact O-N 3.17Å; R141-G145 WeakPolarHBondContact CA-O 3.4Å; R141-L146 WeakPolarHBondContact CG-O 3.46Å; R141-L146 PolarHBondContact NE-O 3.41Å; R141-N148 PolarHBondContact NH2-O 3.49Å
142	K	97.4	Very high	97.9	Very high	220 Å²	220	50.5 Å²	50.5	96%	0.957	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-63	-20.2	176.9	-68.4	-174.9	178.5	-179.7	0	114	P140	P140-K142 PolarHBondContact O-N 3.46Å; P140-K142 VanDerWaalsContact O-N 3.13Å
143	A	97.1	Very high	97.9	Very high	75 Å²	75	48.5 Å²	48.5	62%	0.62	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-104.3	15.8	177.2	0	0	0	0	0	112.3	T139 P140 R141 G145	T139-A143 HydrophobicContact CG2-CB 4.14Å; P140-A143 WeakPolarHBondContact O-CA 3.36Å; P140-A143 PolarHBondContact O-N 3.01Å; R141-A143 PolarHBondContact O-N 3.37Å; A143-G145 VanDerWaalsContact C-N 3.32Å
144	G	96.4	Very high	97.9	Very high	38 Å²	38	48.5 Å²	48.5	39%	0.392	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	12.3	-176.8	0	0	0	0	0	114.4	W136 R141	W136-G144 PolarHBondContact NE1-O 2.83Å; R141-G144 PolarHBondContact O-N 3.17Å
145	G	98.1	Very high	97.9	Very high	1 Å²	1	47 Å²	47	1%	0.01	27%	0.267	C	S	.	.			trans	-83.6	-175.8	171.1	0	0	0	0	0	113.6	T139 P140 R141 A143	T139-G145 CarbonylContact O-C 3.54Å; T139-G145 VanDerWaalsContact O-CA 3.3Å; T139-G145 WeakPolarHBondContact O-CA 3.43Å; P140-G145 PolarHBondContact O-N 2.92Å; P140-G145 VanDerWaalsContact O-N 3.09Å; R141-G145 WeakPolarHBondContact CA-O 3.4Å; A143-G145 VanDerWaalsContact C-N 3.32Å
146	L	98.4	Very high	97.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.			trans	-96.1	-28.7	179.2	-55.3	177.7	0	0	0	112.6	P102 I105 I106 W136 I137 T139 R141 I149 L153	P102-L146 HydrophobicContact CB-CD2 3.78Å; I105-L146 HydrophobicContact CB-CD2 4.06Å; I105-L146 HydrophobicContact CD1-CD1 4.42Å; I105-L146 HydrophobicContact CD1-CD2 4.21Å; I105-L146 HydrophobicContact CG2-CD1 3.99Å; I105-L146 HydrophobicContact CG2-CD2 3.93Å; I106-L146 HydrophobicContact CG1-CD2 4.37Å; W136-L146 HydrophobicContact CD2-CD1 3.88Å; W136-L146 HydrophobicContact CD2-CD2 4.13Å; W136-L146 HydrophobicContact CD2-CG 3.71Å; W136-L146 HydrophobicContact CE3-CD1 3.55Å; W136-L146 HydrophobicContact CE3-CD2 4.13Å; W136-L146 HydrophobicContact CE3-CG 3.86Å; W136-L146 HydrophobicContact CG-CD1 4.36Å; W136-L146 HydrophobicContact CG-CG 4.11Å; W136-L146 HydrophobicContact CH2-CD2 3.96Å; W136-L146 HydrophobicContact CZ2-CD2 3.96Å; W136-L146 HydrophobicContact CZ2-CG 4.45Å; W136-L146 HydrophobicContact CZ3-CD1 4.01Å; W136-L146 HydrophobicContact CZ3-CD2 4.03Å; W136-L146 HydrophobicContact CZ3-CG 4.27Å; W136-L146 PolarHBondContact O-N 3.44Å; W136-L146 VanDerWaalsContact O-N 3.09Å; I137-L146 HydrophobicContact CG1-CD1 4.09Å; T139-L146 PolarHBondContact O-N 3.08Å; R141-L146 WeakPolarHBondContact CG-O 3.46Å; R141-L146 PolarHBondContact NE-O 3.41Å; L146-I149 HydrophobicContact CB-CG2 3.81Å; L146-I149 HydrophobicContact CD1-CD1 4.19Å; L146-L153 HydrophobicContact CD1-CD1 3.57Å
147	G	97	Very high	97.9	Very high	17 Å²	17	49.8 Å²	49.8	18%	0.175	28%	0.275	C	S	.	.			trans	60	-154.1	-166.6	0	0	0	0	0	111.7	I137 T139 I149	I137-G147 CarbonylContact O-C 3.59Å; I137-G147 VanDerWaalsContact O-CA 3.22Å; I137-G147 WeakPolarHBondContact O-CA 3.31Å; I137-G147 PolarHBondContact O-N 2.79Å; T139-G147 PolarHBondContact O-N 2.74Å; T139-G147 VanDerWaalsContact O-N 3.08Å; G147-I149 PolarHBondContact O-N 2.95Å
148	N	94.3	Very high	97.9	Very high	117 Å²	117	54.6 Å²	54.6	63%	0.626	30%	0.301	S	S	*	.	S	Bend	trans	-64.7	128.6	175.4	-166.9	37.3	0	0	0	110.5	R141	R141-N148 PolarHBondContact NH2-O 3.49Å
149	I	97.3	Very high	97.9	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.041	28%	0.283	C	S	.	.			trans	-128.7	152.4	177	62	170	0	0	0	111.2	I105 S109 I137 L146 G147 L153	I105-I149 HydrophobicContact CG2-CD1 4.41Å; S109-I149 WeakPolarHBondContact OG-CA 3.42Å; S109-I149 WeakPolarHBondContact OG-CB 3.36Å; I137-I149 HydrophobicContact CD1-CD1 3.79Å; I137-I149 HydrophobicContact CD1-CG1 4.18Å; I137-I149 HydrophobicContact CG1-CD1 3.75Å; I137-I149 HydrophobicContact CG1-CG1 4.07Å; L146-I149 HydrophobicContact CB-CG2 3.81Å; L146-I149 HydrophobicContact CD1-CD1 4.19Å; G147-I149 PolarHBondContact O-N 2.95Å; I149-L153 HydrophobicContact CD1-CD1 3.77Å; I149-L153 HydrophobicContact CD1-CD2 4.34Å; I149-L153 HydrophobicContact CD1-CG 3.78Å
150	H	97.2	Very high	97.9	Very high	97 Å²	97	53.8 Å²	53.8	45%	0.449	29%	0.29	S	S	.	.	S	Bend	trans	-109.1	8.3	-172.1	-62.2	-98.8	0	0	0	113.2	S109 A112	S109-H150 PolarHBondContact OG-N 3.49Å; A112-H150 HydrophobicContact CB-CB 3.95Å
151	I	98.5	Very high	97.9	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	27%	0.268	C	S	.	.	S	Bend	trans	-123.6	145.5	179.7	60.1	175.4	0	0	0	109.7	F91 I105 F108 A112 V122	F91-I151 HydrophobicContact CE1-CD1 3.93Å; F91-I151 HydrophobicContact CZ-CD1 3.99Å; I105-I151 HydrophobicContact CG2-CD1 4.27Å; F108-I151 HydrophobicContact CB-CD1 3.94Å; A112-I151 HydrophobicContact CB-CG2 3.89Å; V122-I151 HydrophobicContact CB-CG2 3.95Å; V122-I151 HydrophobicContact CG1-CD1 4.45Å; V122-I151 HydrophobicContact CG1-CG2 4.3Å
152	P	98.6	Very high	97.9	Very high	10 Å²	10	46 Å²	46	7%	0.065	25%	0.251	C	S	.	.			trans	-68	145.6	171.9	29.6	-37	0	0	0	112.3	A69 V70 H71 L78 V122 V123 G124	A69-P152 HydrophobicContact CB-CB 4.34Å; V70-P152 WeakPolarHBondContact O-CA 3.11Å; H71-P152 HydrophobicContact CB-CB 4.09Å; L78-P152 HydrophobicContact CD1-CB 3.66Å; L78-P152 HydrophobicContact CD1-CG 4.01Å; V122-P152 WeakPolarHBondContact O-CD 3.27Å; V123-P152 HydrophobicContact CB-CG 4.26Å; V123-P152 HydrophobicContact CG1-CG 4.2Å; V123-P152 HydrophobicContact CG2-CG 3.77Å; G124-P152 PolarHBondContact N-O 3.27Å; G124-P152 VanDerWaalsContact N-O 3.08Å
153	L	98.9	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.2	168	-61	-176.3	0	0	0	110	A69 V70 Y93 I105 G124 H133 I137 L146 I149	A69-L153 CarbonylContact C-O 3.55Å; A69-L153 WeakPolarHBondContact CA-O 3.44Å; A69-L153 WeakPolarHBondContact CB-O 3.44Å; V70-L153 PolarHBondContact N-O 3.21Å; V70-L153 PolarHBondContact O-N 3.14Å; Y93-L153 HydrophobicContact CE1-CD2 4.27Å; I105-L153 HydrophobicContact CD1-CD2 4.4Å; I105-L153 HydrophobicContact CG2-CD2 4.08Å; G124-L153 CarbonylContact O-C 3.39Å; G124-L153 WeakPolarHBondContact O-CA 3.46Å; H133-L153 HydrophobicContact CB-CB 4.32Å; H133-L153 HydrophobicContact CB-CD1 4.36Å; H133-L153 PolarHBondContact CD2-O 3.49Å; I137-L153 HydrophobicContact CD1-CD1 4.26Å; I137-L153 HydrophobicContact CG1-CD1 4.37Å; L146-L153 HydrophobicContact CD1-CD1 3.57Å; I149-L153 HydrophobicContact CD1-CD1 3.77Å; I149-L153 HydrophobicContact CD1-CD2 4.34Å; I149-L153 HydrophobicContact CD1-CG 3.78Å
154	L	98.9	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.6	-177.5	-167.4	77.5	0	0	0	111	F65 A67 A69 L78 V123 G124 V125 S126 H133 I161	F65-L154 HydrophobicContact CD2-CD2 3.73Å; F65-L154 HydrophobicContact CE2-CD2 3.87Å; F65-L154 HydrophobicContact CG-CD2 4.49Å; A67-L154 HydrophobicContact CB-CD1 3.82Å; A67-L154 HydrophobicContact CB-CD2 4.34Å; A67-L154 HydrophobicContact CB-CG 3.96Å; A67-L154 WeakPolarHBondContact O-CD1 3.44Å; A69-L154 HydrophobicContact CB-CB 4.46Å; A69-L154 HydrophobicContact CB-CD1 3.88Å; L78-L154 HydrophobicContact CB-CD1 4.05Å; V123-L154 HydrophobicContact CG1-CB 4.15Å; G124-L154 PolarHBondContact O-N 2.93Å; V125-L154 HydrophobicContact CG1-CB 4.33Å; V125-L154 HydrophobicContact CG1-CD2 4.25Å; V125-L154 HydrophobicContact CG2-CB 4.09Å; V125-L154 HydrophobicContact CG2-CD2 4.11Å; S126-L154 PolarHBondContact N-O 3.28Å; H133-L154 PolarHBondContact NE2-O 3.23Å; L154-I161 HydrophobicContact CD2-CD1 3.78Å
155	S	98.9	Very high	98.1	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.6	179.2	176.8	0	0	0	0	111.6	A67 T68 D128 S129 H130 L157	A67-S155 WeakPolarHBondContact CB-O 3.38Å; T68-S155 WeakPolarHBondContact O-CB 3.44Å; T68-S155 PolarHBondContact O-N 3.27Å; D128-S155 WeakPolarHBondContact O-CB 3.3Å; D128-S155 PolarHBondContact O-OG 2.75Å; S129-S155 WeakPolarHBondContact CA-OG 3.4Å; H130-S155 PolarHBondContact N-OG 2.88Å; S155-L157 PolarHBondContact O-N 3.3Å
156	D	98.8	Very high	98.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.216	C	C	.	.			trans	-98.1	55.8	174.4	-177.6	33.2	0	0	0	111.4	V125 S126 V127 N158 K159 Q160 I161 S162	V125-D156 HydrophobicContact CG1-CB 3.99Å; S126-D156 WeakPolarHBondContact O-CB 3.27Å; S126-D156 PolarHBondContact O-N 2.96Å; V127-D156 WeakPolarHBondContact CA-O 3.46Å; D156-N158 PolarHBondContact O-N 3.11Å; D156-N158 VanDerWaalsContact O-N 3.17Å; D156-N158 PolarHBondContact OD1-OD1 3.46Å; D156-K159 WeakPolarHBondContact O-CA 3.48Å; D156-K159 PolarHBondContact O-N 2.73Å; D156-K159 WeakPolarHBondContact OD1-CA 3.36Å; D156-K159 PolarHBondContact OD1-N 2.72Å; D156-K159 VanDerWaalsContact OD2-C 3.31Å; D156-K159 VanDerWaalsContact OD2-CA 3.25Å; D156-K159 WeakPolarHBondContact OD2-CA 3.32Å; D156-Q160 PolarHBondContact OD1-N 3.14Å; D156-I161 HydrophobicContact CB-CB 4.18Å; D156-I161 HydrophobicContact CB-CD1 4.19Å; D156-I161 HydrophobicContact CB-CG1 4.43Å; D156-I161 WeakPolarHBondContact OD1-CB 3.27Å; D156-I161 WeakPolarHBondContact OD1-CG1 3.47Å; D156-I161 PolarHBondContact OD1-N 3.21Å; D156-I161 PolarHBondContact OD2-N 3.23Å; D156-S162 WeakPolarHBondContact OD2-CB 3.48Å; D156-S162 PolarHBondContact OD2-N 2.94Å; D156-S162 PolarHBondContact OD2-OG 2.9Å
157	L	98.5	Very high	98.1	Very high	105 Å²	105	40.4 Å²	40.4	55%	0.55	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.2	-170.8	-169.4	64.1	0	0	0	113.2	S155 K159	S155-L157 PolarHBondContact O-N 3.3Å; L157-K159 VanDerWaalsContact C-N 3.32Å; L157-K159 PolarHBondContact O-NZ 3.49Å
158	N	97.8	Very high	98.2	Very high	119 Å²	119	40.6 Å²	40.6	64%	0.636	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.4	177.5	71.3	10.5	0	0	0	113.9	D156 Q160	D156-N158 PolarHBondContact O-N 3.11Å; D156-N158 VanDerWaalsContact O-N 3.17Å; D156-N158 PolarHBondContact OD1-OD1 3.46Å; N158-Q160 PolarHBondContact O-N 3.39Å; N158-Q160 VanDerWaalsContact O-N 3.16Å; N158-Q160 VanDerWaalsContact OD1-CB 3.23Å; N158-Q160 WeakPolarHBondContact OD1-CB 3.19Å; N158-Q160 PolarHBondContact OD1-N 3.3Å
159	K	98.6	Very high	98.4	Very high	56 Å²	56	37.7 Å²	37.7	24%	0.243	20%	0.197	C	C	.	.	S	Bend	trans	65.4	12.3	175.7	-56.2	163.9	176.4	40.2	0	113.7	V127 D156 L157 R163 L168 G173	V127-K159 HydrophobicContact CB-CG 4.1Å; V127-K159 HydrophobicContact CG1-CG 3.77Å; D156-K159 WeakPolarHBondContact O-CA 3.48Å; D156-K159 PolarHBondContact O-N 2.73Å; D156-K159 WeakPolarHBondContact OD1-CA 3.36Å; D156-K159 PolarHBondContact OD1-N 2.72Å; D156-K159 VanDerWaalsContact OD2-C 3.31Å; D156-K159 VanDerWaalsContact OD2-CA 3.25Å; D156-K159 WeakPolarHBondContact OD2-CA 3.32Å; L157-K159 VanDerWaalsContact C-N 3.32Å; L157-K159 PolarHBondContact O-NZ 3.49Å; K159-R163 VanDerWaalsContact O-CB 3.3Å; K159-R163 WeakPolarHBondContact O-CB 3.23Å; K159-R163 PolarHBondContact O-N 3.17Å; K159-R163 VanDerWaalsContact O-N 3.14Å; K159-L168 HydrophobicContact CB-CD1 4.02Å; K159-L168 HydrophobicContact CB-CD2 3.84Å; K159-L168 HydrophobicContact CD-CD1 4.36Å; K159-L168 HydrophobicContact CG-CD1 4.24Å; K159-G173 WeakPolarHBondContact CE-O 3.45Å
160	Q	98.3	Very high	98.2	Very high	78 Å²	78	42.9 Å²	42.9	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-74.6	-38.9	-175	-169.8	57.8	43.4	0	0	110.5	D156 N158 R163 D164	D156-Q160 PolarHBondContact OD1-N 3.14Å; N158-Q160 PolarHBondContact O-N 3.39Å; N158-Q160 VanDerWaalsContact O-N 3.16Å; N158-Q160 VanDerWaalsContact OD1-CB 3.23Å; N158-Q160 WeakPolarHBondContact OD1-CB 3.19Å; N158-Q160 PolarHBondContact OD1-N 3.3Å; Q160-R163 PolarHBondContact O-N 3.28Å; Q160-D164 PolarHBondContact NE2-OD1 2.83Å; Q160-D164 PolarHBondContact NE2-OD2 3.3Å; Q160-D164 WeakPolarHBondContact O-CB 3.24Å; Q160-D164 PolarHBondContact O-N 3.41Å
161	I	98.6	Very high	98.2	Very high	12 Å²	12	42 Å²	42	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-47.2	179.6	-53.3	172.6	0	0	0	109.3	F65 A67 F92 L154 D156 R163 D164 Y165	F65-I161 HydrophobicContact CB-CD1 3.91Å; F65-I161 HydrophobicContact CB-CG1 3.92Å; F65-I161 HydrophobicContact CB-CG2 3.96Å; F65-I161 HydrophobicContact CG-CG2 4.45Å; A67-I161 HydrophobicContact CB-CD1 3.79Å; F92-I161 HydrophobicContact CE1-CG2 3.99Å; F92-I161 HydrophobicContact CZ-CG2 3.9Å; L154-I161 HydrophobicContact CD2-CD1 3.78Å; D156-I161 HydrophobicContact CB-CB 4.18Å; D156-I161 HydrophobicContact CB-CD1 4.19Å; D156-I161 HydrophobicContact CB-CG1 4.43Å; D156-I161 WeakPolarHBondContact OD1-CB 3.27Å; D156-I161 WeakPolarHBondContact OD1-CG1 3.47Å; D156-I161 PolarHBondContact OD1-N 3.21Å; D156-I161 PolarHBondContact OD2-N 3.23Å; I161-R163 PolarHBondContact O-N 3.44Å; I161-D164 PolarHBondContact O-N 2.91Å; I161-Y165 HydrophobicContact CG2-CD2 3.95Å; I161-Y165 HydrophobicContact CG2-CE2 4.08Å; I161-Y165 VanDerWaalsContact O-CD2 3.3Å; I161-Y165 WeakPolarHBondContact O-CD2 3.39Å; I161-Y165 PolarHBondContact O-N 2.97Å
162	S	98.7	Very high	98.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-35.1	176.9	-57.6	0	0	0	0	112.2	D156 G166 V167 L168	D156-S162 WeakPolarHBondContact OD2-CB 3.48Å; D156-S162 PolarHBondContact OD2-N 2.94Å; D156-S162 PolarHBondContact OD2-OG 2.9Å; S162-G166 PolarHBondContact O-N 3.03Å; S162-V167 WeakPolarHBondContact O-CG2 3.24Å; S162-V167 PolarHBondContact O-N 3.04Å; S162-L168 PolarHBondContact O-N 2.84Å; S162-L168 VanDerWaalsContact O-N 3.16Å
163	R	98.2	Very high	98	Very high	100 Å²	100	46.7 Å²	46.7	38%	0.377	28%	0.277	S	S	.	.	H	α-helix	trans	-71.8	-44.4	176.4	-173	179.8	-62.7	103.8	9	112	K159 Q160 I161 Y165 G166 L168 D170	K159-R163 VanDerWaalsContact O-CB 3.3Å; K159-R163 WeakPolarHBondContact O-CB 3.23Å; K159-R163 PolarHBondContact O-N 3.17Å; K159-R163 VanDerWaalsContact O-N 3.14Å; Q160-R163 PolarHBondContact O-N 3.28Å; I161-R163 PolarHBondContact O-N 3.44Å; R163-Y165 VanDerWaalsContact C-N 3.27Å; R163-Y165 PolarHBondContact O-N 2.83Å; R163-G166 PolarHBondContact O-N 2.85Å; R163-L168 HydrophobicContact CB-CD2 4.21Å; R163-D170 IonicContact NH2-OD1 3.91Å
164	D	98.3	Very high	98	Very high	56 Å²	56	47.8 Å²	47.8	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-33.8	179.6	-68	-19.5	0	0	0	111.5	A55 A56 P63 Q160 I161 G166	A55-D164 WeakPolarHBondContact CA-O 3.37Å; A56-D164 PolarHBondContact N-O 2.82Å; P63-D164 HydrophobicContact CB-CB 3.94Å; P63-D164 WeakPolarHBondContact CG-O 3.38Å; Q160-D164 PolarHBondContact NE2-OD1 2.83Å; Q160-D164 PolarHBondContact NE2-OD2 3.3Å; Q160-D164 WeakPolarHBondContact O-CB 3.24Å; Q160-D164 PolarHBondContact O-N 3.41Å; I161-D164 PolarHBondContact O-N 2.91Å; D164-G166 VanDerWaalsContact C-N 3.29Å
165	Y	98.5	Very high	98	Very high	6 Å²	6	47.8 Å²	47.8	2%	0.024	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1	172.2	-79.7	-99	0	0	0	113.8	A56 P63 F65 L90 F92 I161 R163 V167 F180 I182	A56-Y165 HydrophobicContact CB-CD1 3.78Å; A56-Y165 HydrophobicContact CB-CE1 4.36Å; A56-Y165 HydrophobicContact CB-CG 4.33Å; P63-Y165 HydrophobicContact CB-CD2 4.21Å; P63-Y165 HydrophobicContact CB-CE2 3.95Å; P63-Y165 HydrophobicContact CG-CD2 4.35Å; P63-Y165 HydrophobicContact CG-CE2 4.32Å; P63-Y165 WeakPolarHBondContact O-CE2 3.49Å; P63-Y165 PolarHBondContact O-OH 2.69Å; P63-Y165 VanDerWaalsContact O-OH 3.07Å; F65-Y165 HydrophobicContact CD1-CE2 4.23Å; L90-Y165 HydrophobicContact CD2-CD1 4.26Å; L90-Y165 HydrophobicContact CD2-CE1 3.57Å; L90-Y165 HydrophobicContact CD2-CE2 3.94Å; L90-Y165 WeakPolarHBondContact CD2-OH 3.37Å; F92-Y165 HydrophobicContact CE2-CD1 4Å; F92-Y165 HydrophobicContact CE2-CD2 4.42Å; F92-Y165 AromaticContact CE2-CG 3.83Å; F92-Y165 HydrophobicContact CE2-CG 3.83Å; F92-Y165 HydrophobicContact CZ-CD1 4.28Å; F92-Y165 AromaticContact CZ-CD2 3.88Å; F92-Y165 HydrophobicContact CZ-CD2 3.88Å; F92-Y165 AromaticContact CZ-CG 3.7Å; F92-Y165 HydrophobicContact CZ-CG 3.7Å; I161-Y165 HydrophobicContact CG2-CD2 3.95Å; I161-Y165 HydrophobicContact CG2-CE2 4.08Å; I161-Y165 VanDerWaalsContact O-CD2 3.3Å; I161-Y165 WeakPolarHBondContact O-CD2 3.39Å; I161-Y165 PolarHBondContact O-N 2.97Å; R163-Y165 VanDerWaalsContact C-N 3.27Å; R163-Y165 PolarHBondContact O-N 2.83Å; Y165-V167 VanDerWaalsContact C-N 3.31Å; Y165-V167 PolarHBondContact O-N 2.87Å; Y165-F180 HydrophobicContact CD1-CD1 4.06Å; Y165-F180 AromaticContact CD1-CD2 3.61Å; Y165-F180 HydrophobicContact CD1-CD2 3.61Å; Y165-F180 HydrophobicContact CD1-CE1 4.05Å; Y165-F180 AromaticContact CD1-CE2 3.6Å; Y165-F180 HydrophobicContact CD1-CE2 3.6Å; Y165-F180 AromaticContact CD1-CG 3.86Å; Y165-F180 HydrophobicContact CD1-CG 3.86Å; Y165-F180 AromaticContact CD1-CZ 3.83Å; Y165-F180 HydrophobicContact CD1-CZ 3.83Å; Y165-F180 HydrophobicContact CE1-CB 4.48Å; Y165-F180 HydrophobicContact CE1-CD1 4.46Å; Y165-F180 HydrophobicContact CE1-CD2 4.15Å; Y165-F180 HydrophobicContact CE1-CG 4.1Å; Y165-F180 HydrophobicContact CG-CE2 4.24Å; Y165-F180 HydrophobicContact CG-CZ 4.45Å; Y165-F180 WeakPolarHBondContact O-CZ 3.39Å; Y165-I182 HydrophobicContact CE1-CD1 4.41Å
166	G	98.1	Very high	98	Very high	52 Å²	52	49 Å²	49	54%	0.536	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	24.3	174.1	0	0	0	0	0	115	S162 R163 D164	S162-G166 PolarHBondContact O-N 3.03Å; R163-G166 PolarHBondContact O-N 2.85Å; D164-G166 VanDerWaalsContact C-N 3.29Å
167	V	98.5	Very high	98	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	29%	0.29	C	S	.	.			trans	-112.6	-4.9	-176.1	-67	0	0	0	0	113.4	F92 S162 Y165 A175 L176 F180 V193	F92-V167 HydrophobicContact CB-CG2 4.2Å; F92-V167 HydrophobicContact CD1-CG2 3.83Å; F92-V167 HydrophobicContact CD2-CG2 3.91Å; F92-V167 HydrophobicContact CE1-CG2 4.15Å; F92-V167 HydrophobicContact CE2-CG2 4.24Å; F92-V167 HydrophobicContact CG-CG2 3.7Å; F92-V167 HydrophobicContact CZ-CG2 4.35Å; S162-V167 WeakPolarHBondContact O-CG2 3.24Å; S162-V167 PolarHBondContact O-N 3.04Å; Y165-V167 VanDerWaalsContact C-N 3.31Å; Y165-V167 PolarHBondContact O-N 2.87Å; V167-A175 HydrophobicContact CG2-CB 4.28Å; V167-A175 CarbonylContact O-C 3.46Å; V167-A175 WeakPolarHBondContact O-CA 3.27Å; V167-L176 PolarHBondContact O-N 3.43Å; V167-F180 HydrophobicContact CG1-CE2 4Å; V167-F180 HydrophobicContact CG1-CZ 3.92Å; V167-V193 HydrophobicContact CG1-CG2 4.37Å
168	L	98.6	Very high	98	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.2	176.6	-174.3	68.8	0	0	0	111.4	V127 K159 S162 R163 D170	V127-L168 HydrophobicContact CG1-CD1 4.33Å; K159-L168 HydrophobicContact CB-CD1 4.02Å; K159-L168 HydrophobicContact CB-CD2 3.84Å; K159-L168 HydrophobicContact CD-CD1 4.36Å; K159-L168 HydrophobicContact CG-CD1 4.24Å; S162-L168 PolarHBondContact O-N 2.84Å; S162-L168 VanDerWaalsContact O-N 3.16Å; R163-L168 HydrophobicContact CB-CD2 4.21Å; L168-D170 WeakPolarHBondContact CD2-OD1 3.5Å
169	L	98	Very high	98.1	Very high	56 Å²	56	38.8 Å²	38.8	29%	0.293	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	101.6	161.9	-60.9	177.3	0	0	0	108.6	G171 P172 G173 I174 L176	L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 2.94Å; L169-P172 HydrophobicContact CB-CG 4.16Å; L169-P172 HydrophobicContact CD1-CG 4.45Å; L169-P172 WeakPolarHBondContact O-CD 3.21Å; L169-G173 WeakPolarHBondContact O-CA 3.35Å; L169-G173 PolarHBondContact O-N 2.96Å; L169-I174 PolarHBondContact N-O 3.32Å; L169-L176 HydrophobicContact CD1-CD2 3.75Å; L169-L176 HydrophobicContact CD1-CG 4.08Å; L169-L176 HydrophobicContact CD2-CD1 4.03Å; L169-L176 HydrophobicContact CD2-CD2 4.26Å; L169-L176 HydrophobicContact CD2-CG 3.95Å; L169-L176 HydrophobicContact CG-CD2 4.12Å; L169-L176 HydrophobicContact CG-CG 3.88Å
170	D	94.7	Very high	98.1	Very high	117 Å²	117	36.2 Å²	36.2	63%	0.626	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.8	-174.5	-74.9	-64.5	0	0	0	113.6	R163 L168	R163-D170 IonicContact NH2-OD1 3.91Å; L168-D170 WeakPolarHBondContact CD2-OD1 3.5Å
171	G	96.2	Very high	98.1	Very high	80 Å²	80	32.5 Å²	32.5	83%	0.825	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-60.5	179.9	0	0	0	0	0	112.8	L169 G173	L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 2.94Å; G171-G173 VanDerWaalsContact C-N 3.31Å
172	P	96.2	Very high	98.1	Very high	92 Å²	92	32 Å²	32	60%	0.597	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.7	175.6	-18.3	31.9	0	0	0	114.5	L169 I174	L169-P172 HydrophobicContact CB-CG 4.16Å; L169-P172 HydrophobicContact CD1-CG 4.45Å; L169-P172 WeakPolarHBondContact O-CD 3.21Å; P172-I174 HydrophobicContact CB-CD1 4.18Å; P172-I174 HydrophobicContact CB-CG1 4.12Å
173	G	97.9	Very high	98.1	Very high	18 Å²	18	32.3 Å²	32.3	19%	0.186	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	28.5	-179.6	0	0	0	0	0	114.5	K159 L169 G171	K159-G173 WeakPolarHBondContact CE-O 3.45Å; L169-G173 WeakPolarHBondContact O-CA 3.35Å; L169-G173 PolarHBondContact O-N 2.96Å; G171-G173 VanDerWaalsContact C-N 3.31Å
174	I	98.5	Very high	98.1	Very high	24 Å²	24	28.9 Å²	28.9	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.2	-178.1	70.6	-171.1	0	0	0	110.7	P94 L95 L169 P172 L196	P94-I174 HydrophobicContact CB-CD1 4.25Å; L95-I174 HydrophobicContact CD1-CG2 3.96Å; L95-I174 HydrophobicContact CD2-CG2 3.84Å; L95-I174 HydrophobicContact CG-CG2 3.77Å; L169-I174 PolarHBondContact N-O 3.32Å; P172-I174 HydrophobicContact CB-CD1 4.18Å; P172-I174 HydrophobicContact CB-CG1 4.12Å; I174-L196 HydrophobicContact CD1-CD1 4.35Å; I174-L196 HydrophobicContact CD1-CD2 4.39Å
175	A	98.4	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	146.5	173.2	0	0	0	0	0	112	F92 P94 V167	F92-A175 HydrophobicContact CB-CB 3.98Å; F92-A175 HydrophobicContact CD1-CB 4.3Å; P94-A175 VanDerWaalsContact CA-O 3.31Å; P94-A175 WeakPolarHBondContact CA-O 3.46Å; V167-A175 HydrophobicContact CG2-CB 4.28Å; V167-A175 CarbonylContact O-C 3.46Å; V167-A175 WeakPolarHBondContact O-CA 3.27Å
176	L	98.6	Very high	98.1	Very high	34 Å²	34	33.4 Å²	33.4	18%	0.178	22%	0.224	C	C	.	.			trans	-66.3	171.7	159.3	-73.6	174.6	0	0	0	110.7	V167 L169 G178 V193 L196	V167-L176 PolarHBondContact O-N 3.43Å; L169-L176 HydrophobicContact CD1-CD2 3.75Å; L169-L176 HydrophobicContact CD1-CG 4.08Å; L169-L176 HydrophobicContact CD2-CD1 4.03Å; L169-L176 HydrophobicContact CD2-CD2 4.26Å; L169-L176 HydrophobicContact CD2-CG 3.95Å; L169-L176 HydrophobicContact CG-CD2 4.12Å; L169-L176 HydrophobicContact CG-CG 3.88Å; L176-G178 PolarHBondContact O-N 2.72Å; L176-V193 HydrophobicContact CB-CG1 3.84Å; L176-V193 HydrophobicContact CD1-CG1 3.8Å; L176-V193 HydrophobicContact CG-CG1 4.45Å; L176-L196 HydrophobicContact CD2-CD2 4.01Å; L176-L196 HydrophobicContact CD2-CG 4.29Å
177	R	98.8	Very high	98.1	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.038	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	63.5	175.5	-63.7	-176.4	-169.4	-62.7	-19.9	111.1	P94 E104 N194 L196 V198	P94-R177 HydrophobicContact CG-CG 4.34Å; E104-R177 IonicContact OE2-CZ 3.3Å; E104-R177 IonicContact OE2-NH1 2.8Å; E104-R177 PolarHBondContact OE2-NH1 2.8Å; R177-N194 HydrophobicContact CB-CB 3.93Å; R177-N194 PolarHBondContact N-O 2.88Å; R177-N194 PolarHBondContact O-N 3.42Å; R177-N194 VanDerWaalsContact O-N 3.13Å; R177-L196 VanDerWaalsContact CZ-O 3.26Å; R177-L196 PolarHBondContact NE-O 3.3Å; R177-L196 PolarHBondContact NH2-O 2.8Å; R177-V198 VanDerWaalsContact CD-O 3.27Å; R177-V198 WeakPolarHBondContact CD-O 3.44Å
178	G	98.8	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	139.2	175.8	0	0	0	0	0	112.3	F91 F92 L176 S192 R200	F91-G178 CarbonylContact C-O 3.39Å; F91-G178 WeakPolarHBondContact CA-O 3.24Å; F92-G178 PolarHBondContact N-O 2.85Å; L176-G178 PolarHBondContact O-N 2.72Å; G178-S192 CarbonylContact C-O 3.57Å; G178-S192 WeakPolarHBondContact CA-O 3.41Å; G178-R200 PolarHBondContact O-NH1 3.15Å
179	L	98.9	Very high	98.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.6	173.8	179.5	152.9	0	0	0	109.1	V89 F91 F108 I181 M191 S192 T205	V89-L179 HydrophobicContact CG1-CD1 4.1Å; V89-L179 HydrophobicContact CG1-CD2 4.47Å; V89-L179 HydrophobicContact CG1-CG 4.17Å; F91-L179 HydrophobicContact CB-CB 4.18Å; F91-L179 HydrophobicContact CB-CD1 4.14Å; F91-L179 HydrophobicContact CB-CG 4.12Å; F108-L179 HydrophobicContact CE2-CD1 4.33Å; F108-L179 HydrophobicContact CZ-CD1 3.71Å; L179-I181 HydrophobicContact CD2-CG1 4.02Å; L179-M191 CarbonylContact O-C 3.51Å; L179-M191 VanDerWaalsContact O-CA 3.23Å; L179-M191 WeakPolarHBondContact O-CA 3.24Å; L179-S192 PolarHBondContact N-O 3.22Å; L179-S192 PolarHBondContact O-N 2.79Å; L179-T205 HydrophobicContact CD1-CG2 4.02Å; L179-T205 HydrophobicContact CD2-CG2 4.18Å
180	F	98.9	Very high	98.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.2	-179.3	-58.1	-91.9	0	0	0	109.7	A56 V89 L90 F92 Y165 V167 I182 V188 H190 M191	A56-F180 HydrophobicContact CB-CD1 4.03Å; A56-F180 HydrophobicContact CB-CE1 3.54Å; A56-F180 HydrophobicContact CB-CZ 4.19Å; V89-F180 WeakPolarHBondContact CA-O 3.37Å; L90-F180 PolarHBondContact N-O 2.8Å; L90-F180 PolarHBondContact O-N 2.75Å; F92-F180 HydrophobicContact CD2-CD2 4.15Å; F92-F180 AromaticContact CD2-CE2 3.89Å; F92-F180 HydrophobicContact CD2-CE2 3.89Å; F92-F180 AromaticContact CE2-CD2 3.88Å; F92-F180 HydrophobicContact CE2-CD2 3.88Å; F92-F180 AromaticContact CE2-CE2 3.72Å; F92-F180 HydrophobicContact CE2-CE2 3.72Å; Y165-F180 HydrophobicContact CD1-CD1 4.06Å; Y165-F180 AromaticContact CD1-CD2 3.61Å; Y165-F180 HydrophobicContact CD1-CD2 3.61Å; Y165-F180 HydrophobicContact CD1-CE1 4.05Å; Y165-F180 AromaticContact CD1-CE2 3.6Å; Y165-F180 HydrophobicContact CD1-CE2 3.6Å; Y165-F180 AromaticContact CD1-CG 3.86Å; Y165-F180 HydrophobicContact CD1-CG 3.86Å; Y165-F180 AromaticContact CD1-CZ 3.83Å; Y165-F180 HydrophobicContact CD1-CZ 3.83Å; Y165-F180 HydrophobicContact CE1-CB 4.48Å; Y165-F180 HydrophobicContact CE1-CD1 4.46Å; Y165-F180 HydrophobicContact CE1-CD2 4.15Å; Y165-F180 HydrophobicContact CE1-CG 4.1Å; Y165-F180 HydrophobicContact CG-CE2 4.24Å; Y165-F180 HydrophobicContact CG-CZ 4.45Å; Y165-F180 WeakPolarHBondContact O-CZ 3.39Å; V167-F180 HydrophobicContact CG1-CE2 4Å; V167-F180 HydrophobicContact CG1-CZ 3.92Å; F180-I182 HydrophobicContact CB-CG1 4.42Å; F180-V188 HydrophobicContact CD1-CG1 4.27Å; F180-H190 WeakPolarHBondContact CA-O 3.42Å; F180-M191 HydrophobicContact CD1-CB 3.68Å; F180-M191 HydrophobicContact CE1-CB 3.73Å
181	I	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.4	168.4	-56	177.7	0	0	0	107	Y87 V89 L179 K189 H190 T205 L208 V209	Y87-I181 HydrophobicContact CD1-CG2 4Å; Y87-I181 HydrophobicContact CE1-CG2 4.36Å; V89-I181 HydrophobicContact CG2-CG1 4.46Å; L179-I181 HydrophobicContact CD2-CG1 4.02Å; I181-K189 PolarHBondContact O-N 3.36Å; I181-H190 HydrophobicContact CB-CB 4.1Å; I181-H190 HydrophobicContact CD1-CB 4.05Å; I181-H190 HydrophobicContact CG1-CB 4.2Å; I181-H190 PolarHBondContact N-O 3.3Å; I181-H190 PolarHBondContact O-N 3.46Å; I181-T205 HydrophobicContact CD1-CG2 4.38Å; I181-L208 HydrophobicContact CD1-CB 3.57Å; I181-L208 HydrophobicContact CD1-CD1 4.25Å; I181-V209 HydrophobicContact CD1-CG2 4.09Å; I181-V209 HydrophobicContact CG2-CG2 4.05Å
182	I	98.9	Very high	98.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	-176.6	-57.6	165	0	0	0	107.9	A62 L80 Y87 L88 L90 Y165 F180 V187 V188	A62-I182 HydrophobicContact CB-CD1 3.68Å; A62-I182 HydrophobicContact CB-CG1 3.96Å; A62-I182 HydrophobicContact CB-CG2 4.04Å; L80-I182 HydrophobicContact CD1-CD1 4.17Å; Y87-I182 CarbonylContact C-O 3.59Å; Y87-I182 WeakPolarHBondContact CA-O 3.37Å; L88-I182 HydrophobicContact CB-CB 4.26Å; L88-I182 HydrophobicContact CD2-CD1 4.03Å; L88-I182 HydrophobicContact CG-CD1 4.45Å; L88-I182 PolarHBondContact N-O 2.86Å; L88-I182 PolarHBondContact O-N 2.94Å; L90-I182 HydrophobicContact CB-CD1 4.28Å; Y165-I182 HydrophobicContact CE1-CD1 4.41Å; F180-I182 HydrophobicContact CB-CG1 4.42Å; I182-V187 WeakPolarHBondContact CA-O 3.34Å; I182-V188 HydrophobicContact CG1-CG2 4.43Å
183	D	98.8	Very high	98.6	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	16%	0.162	C	C	.	.			trans	-81.4	173.4	-178	81.2	4.7	0	0	0	113	Y87 N185 G186 V187 K189	Y87-D183 HydrophobicContact CE1-CB 4.11Å; D183-N185 PolarHBondContact O-N 2.76Å; D183-N185 VanDerWaalsContact OD1-C 3.31Å; D183-N185 VanDerWaalsContact OD1-CA 3.29Å; D183-N185 WeakPolarHBondContact OD1-CA 3.09Å; D183-N185 WeakPolarHBondContact OD1-CB 3.35Å; D183-N185 PolarHBondContact OD1-N 2.92Å; D183-G186 PolarHBondContact O-N 2.89Å; D183-G186 PolarHBondContact OD1-N 2.69Å; D183-V187 PolarHBondContact N-O 3.34Å; D183-V187 PolarHBondContact OD1-N 3.23Å; D183-K189 HydrophobicContact CB-CD 4.03Å; D183-K189 HydrophobicContact CB-CG 3.78Å; D183-K189 WeakPolarHBondContact OD2-CE 3.33Å; D183-K189 IonicContact OD2-NZ 2.64Å; D183-K189 PolarHBondContact OD2-NZ 2.86Å
184	P	98.7	Very high	98.6	Very high	28 Å²	28	29.8 Å²	29.8	18%	0.182	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.6	178.8	-29.3	39.1	0	0	0	115.7	G85 K86 Y87	G85-P184 PolarHBondContact N-O 3.12Å; K86-P184 WeakPolarHBondContact O-CA 3.32Å; Y87-P184 HydrophobicContact CD2-CG 3.73Å; Y87-P184 VanDerWaalsContact CE2-CD 3.42Å; Y87-P184 HydrophobicContact CE2-CG 3.79Å
185	N	98	Very high	98.6	Very high	136 Å²	136	33.8 Å²	33.8	73%	0.727	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.7	178	-58.5	-55	0	0	0	112.4	D183 V187	D183-N185 PolarHBondContact O-N 2.76Å; D183-N185 VanDerWaalsContact OD1-C 3.31Å; D183-N185 VanDerWaalsContact OD1-CA 3.29Å; D183-N185 WeakPolarHBondContact OD1-CA 3.09Å; D183-N185 WeakPolarHBondContact OD1-CB 3.35Å; D183-N185 PolarHBondContact OD1-N 2.92Å; N185-V187 HydrophobicContact CB-CG2 4.46Å
186	G	98.1	Very high	98.6	Very high	20 Å²	20	36.6 Å²	36.6	21%	0.206	20%	0.201	C	C	.	.	S	Bend	trans	79	20.9	-179.1	0	0	0	0	0	113.7	P61 A62 D183	P61-G186 CarbonylContact C-O 3.49Å; P61-G186 WeakPolarHBondContact CA-O 3.48Å; A62-G186 PolarHBondContact N-O 2.6Å; D183-G186 PolarHBondContact O-N 2.89Å; D183-G186 PolarHBondContact OD1-N 2.69Å
187	V	98.6	Very high	98.5	Very high	35 Å²	35	39.5 Å²	39.5	21%	0.212	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-97.7	134.5	179	-179.9	0	0	0	0	110.3	I182 D183 N185 K189	I182-V187 WeakPolarHBondContact CA-O 3.34Å; D183-V187 PolarHBondContact N-O 3.34Å; D183-V187 PolarHBondContact OD1-N 3.23Å; N185-V187 HydrophobicContact CB-CG2 4.46Å; V187-K189 PolarHBondContact O-N 3.34Å
188	V	98.8	Very high	98.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.6	175.7	-177.3	0	0	0	0	109.5	A57 V58 T59 Q60 A62 F180 I182	A57-V188 WeakPolarHBondContact O-CB 3.25Å; V58-V188 CarbonylContact C-O 3.58Å; V58-V188 WeakPolarHBondContact CA-O 3.34Å; V58-V188 HydrophobicContact CG2-CG1 4.36Å; T59-V188 PolarHBondContact N-O 2.8Å; Q60-V188 PolarHBondContact O-N 2.83Å; A62-V188 HydrophobicContact CB-CG2 3.74Å; F180-V188 HydrophobicContact CD1-CG1 4.27Å; I182-V188 HydrophobicContact CG1-CG2 4.43Å
189	K	98.8	Very high	98.4	Very high	53 Å²	53	44.8 Å²	44.8	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-31.8	177.3	-58.6	-57.4	-139.7	-154.7	0	113	V58 I181 D183 V187 F212 E216	V58-K189 WeakPolarHBondContact CG1-O 3.44Å; I181-K189 PolarHBondContact O-N 3.36Å; D183-K189 HydrophobicContact CB-CD 4.03Å; D183-K189 HydrophobicContact CB-CG 3.78Å; D183-K189 WeakPolarHBondContact OD2-CE 3.33Å; D183-K189 IonicContact OD2-NZ 2.64Å; D183-K189 PolarHBondContact OD2-NZ 2.86Å; V187-K189 PolarHBondContact O-N 3.34Å; K189-F212 HydrophobicContact CB-CD1 4.01Å; K189-F212 HydrophobicContact CB-CD2 3.95Å; K189-F212 HydrophobicContact CB-CE1 3.89Å; K189-F212 HydrophobicContact CB-CE2 3.85Å; K189-F212 HydrophobicContact CB-CG 4.05Å; K189-F212 HydrophobicContact CB-CZ 3.81Å; K189-F212 HydrophobicContact CG-CD1 4.43Å; K189-F212 HydrophobicContact CG-CG 4.44Å; K189-F212 VanDerWaalsContact O-CZ 3.26Å; K189-F212 WeakPolarHBondContact O-CZ 3.36Å; K189-E216 WeakPolarHBondContact CE-OE1 3.26Å; K189-E216 IonicContact NZ-OE1 3.09Å; K189-E216 PolarHBondContact NZ-OE1 3.47Å; K189-E216 VanDerWaalsContact NZ-OE1 3.09Å
190	H	98.8	Very high	98.4	Very high	46 Å²	46	46.3 Å²	46.3	21%	0.213	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.6	179.7	172.2	82.5	0	0	0	110.4	F180 I181 S192 F212	F180-H190 WeakPolarHBondContact CA-O 3.42Å; I181-H190 HydrophobicContact CB-CB 4.1Å; I181-H190 HydrophobicContact CD1-CB 4.05Å; I181-H190 HydrophobicContact CG1-CB 4.2Å; I181-H190 PolarHBondContact N-O 3.3Å; I181-H190 PolarHBondContact O-N 3.46Å; H190-S192 PolarHBondContact NE2-OG 3.07Å; H190-F212 HydrophobicContact CB-CE2 3.78Å; H190-F212 HydrophobicContact CB-CZ 4.11Å
191	M	98.4	Very high	98.4	Very high	81 Å²	81	49.1 Å²	49.1	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.2	167.7	61.8	-175.6	-93.5	0	0	109.9	V58 L179 F180	V58-M191 HydrophobicContact CG2-CG 3.93Å; V58-M191 HydrophobicContact CG2-SD 4.35Å; L179-M191 CarbonylContact O-C 3.51Å; L179-M191 VanDerWaalsContact O-CA 3.23Å; L179-M191 WeakPolarHBondContact O-CA 3.24Å; F180-M191 HydrophobicContact CD1-CB 3.68Å; F180-M191 HydrophobicContact CE1-CB 3.73Å
192	S	98.6	Very high	98.4	Very high	35 Å²	35	49.6 Å²	49.6	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.5	168.9	47.9	0	0	0	0	109.5	G178 L179 H190	G178-S192 CarbonylContact C-O 3.57Å; G178-S192 WeakPolarHBondContact CA-O 3.41Å; L179-S192 PolarHBondContact N-O 3.22Å; L179-S192 PolarHBondContact O-N 2.79Å; H190-S192 PolarHBondContact NE2-OG 3.07Å
193	V	98.6	Very high	98.3	Very high	67 Å²	67	54.4 Å²	54.4	41%	0.406	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	115.6	178.5	-175.1	0	0	0	0	107.9	V167 L176	V167-V193 HydrophobicContact CG1-CG2 4.37Å; L176-V193 HydrophobicContact CB-CG1 3.84Å; L176-V193 HydrophobicContact CD1-CG1 3.8Å; L176-V193 HydrophobicContact CG-CG1 4.45Å
194	N	98.8	Very high	98.3	Very high	45 Å²	45	57.8 Å²	57.8	24%	0.241	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148.7	171.3	-70.1	18.8	0	0	0	110.1	R177 V198 G199	R177-N194 HydrophobicContact CB-CB 3.93Å; R177-N194 PolarHBondContact N-O 2.88Å; R177-N194 PolarHBondContact O-N 3.42Å; R177-N194 VanDerWaalsContact O-N 3.13Å; N194-V198 WeakPolarHBondContact CB-O 3.43Å; N194-V198 PolarHBondContact ND2-O 3.18Å; N194-V198 VanDerWaalsContact ND2-O 3.11Å; N194-G199 PolarHBondContact ND2-O 3Å
195	D	98.2	Very high	98.4	Very high	108 Å²	108	56.8 Å²	56.8	58%	0.578	32%	0.322	S	S	*	.			trans	-64.9	162.6	163.1	-167.9	16.2	0	0	0	110.5	V198	D195-V198 PolarHBondContact O-N 2.68Å
196	L	97.3	Very high	98.4	Very high	59 Å²	59	50.5 Å²	50.5	31%	0.309	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-39	-172.7	-57.3	179.2	0	0	0	115.6	P94 I174 L176 R177 V198	P94-L196 HydrophobicContact CB-CD2 4.22Å; P94-L196 HydrophobicContact CG-CD2 3.6Å; I174-L196 HydrophobicContact CD1-CD1 4.35Å; I174-L196 HydrophobicContact CD1-CD2 4.39Å; L176-L196 HydrophobicContact CD2-CD2 4.01Å; L176-L196 HydrophobicContact CD2-CG 4.29Å; R177-L196 VanDerWaalsContact CZ-O 3.26Å; R177-L196 PolarHBondContact NE-O 3.3Å; R177-L196 PolarHBondContact NH2-O 2.8Å; L196-V198 PolarHBondContact O-N 2.85Å
197	P	97.5	Very high	98.4	Very high	95 Å²	95	51.9 Å²	51.9	62%	0.617	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.1	-172.2	30.5	-33.1	0	0	0	114.9
198	V	98.1	Very high	98.4	Very high	88 Å²	88	51.3 Å²	51.3	53%	0.533	28%	0.283	S	S	.	.			trans	-117.3	116.2	-172.3	-176.4	0	0	0	0	111.6	R177 N194 D195 L196	R177-V198 VanDerWaalsContact CD-O 3.27Å; R177-V198 WeakPolarHBondContact CD-O 3.44Å; N194-V198 WeakPolarHBondContact CB-O 3.43Å; N194-V198 PolarHBondContact ND2-O 3.18Å; N194-V198 VanDerWaalsContact ND2-O 3.11Å; D195-V198 PolarHBondContact O-N 2.68Å; L196-V198 PolarHBondContact O-N 2.85Å
199	G	97.7	Very high	98.4	Very high	33 Å²	33	51.3 Å²	51.3	34%	0.34	28%	0.283	S	S	.	.			trans	-70.3	160.3	175.4	0	0	0	0	0	113.8	E104 N194	E104-G199 WeakPolarHBondContact OE1-CA 3.5Å; N194-G199 PolarHBondContact ND2-O 3Å
200	R	98.6	Very high	98.4	Very high	33 Å²	33	51.5 Å²	51.5	13%	0.125	28%	0.284	C	S	.	.			trans	-87.2	169.2	177.8	-70.1	160.4	-72.3	-159.7	-5.7	112.4	F92 E104 G178	F92-R200 VanDerWaalsContact O-CZ 3.29Å; F92-R200 PolarHBondContact O-NH1 3.32Å; F92-R200 PolarHBondContact O-NH2 2.72Å; E104-R200 VanDerWaalsContact CD-NH2 3.27Å; E104-R200 WeakPolarHBondContact OE1-CB 3.43Å; E104-R200 IonicContact OE1-CZ 3.6Å; E104-R200 PolarHBondContact OE1-N 3.08Å; E104-R200 IonicContact OE1-NE 3.75Å; E104-R200 PolarHBondContact OE1-NE 3.43Å; E104-R200 IonicContact OE1-NH2 3.43Å; E104-R200 PolarHBondContact OE1-NH2 3.34Å; E104-R200 IonicContact OE2-CZ 2.75Å; E104-R200 IonicContact OE2-NE 3.22Å; E104-R200 IonicContact OE2-NH2 3.7Å; E104-R200 PolarHBondContact OE2-NH2 2.96Å; G178-R200 PolarHBondContact O-NH1 3.15Å
201	S	98.6	Very high	98.4	Very high	62 Å²	62	49.8 Å²	49.8	43%	0.434	28%	0.277	S	S	.	.			trans	-104.6	118	173.6	176.1	0	0	0	0	111.2	E203 E204 T205	S201-E203 VanDerWaalsContact C-N 3.32Å; S201-E204 PolarHBondContact OG-N 3.09Å; S201-T205 PolarHBondContact O-N 3.17Å; S201-T205 PolarHBondContact O-OG1 2.9Å
202	V	98.3	Very high	98.4	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-35.5	174.9	179.7	0	0	0	0	111.1	S107 F108 K111 F115 T205 L206	S107-V202 VanDerWaalsContact OG-CG2 3.23Å; S107-V202 WeakPolarHBondContact OG-CG2 3.34Å; F108-V202 HydrophobicContact CD1-CB 4.4Å; F108-V202 HydrophobicContact CD1-CG1 3.76Å; F108-V202 HydrophobicContact CD1-CG2 3.94Å; F108-V202 HydrophobicContact CD2-CG2 3.85Å; F108-V202 HydrophobicContact CE1-CB 4.25Å; F108-V202 HydrophobicContact CE1-CG1 3.88Å; F108-V202 HydrophobicContact CE1-CG2 3.95Å; F108-V202 HydrophobicContact CE2-CG2 3.86Å; F108-V202 HydrophobicContact CG-CG1 4.38Å; F108-V202 HydrophobicContact CG-CG2 3.87Å; F108-V202 HydrophobicContact CZ-CG2 3.91Å; K111-V202 HydrophobicContact CB-CG1 4.16Å; K111-V202 HydrophobicContact CD-CB 4.28Å; K111-V202 HydrophobicContact CD-CG1 3.58Å; K111-V202 HydrophobicContact CG-CG1 4.47Å; F115-V202 HydrophobicContact CE2-CG1 3.78Å; F115-V202 HydrophobicContact CZ-CG1 3.96Å; V202-T205 WeakPolarHBondContact O-CB 3.36Å; V202-T205 PolarHBondContact O-N 3.49Å; V202-L206 PolarHBondContact O-N 3.27Å
203	E	98.1	Very high	98.4	Very high	104 Å²	104	48.7 Å²	48.7	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-41.4	178.3	-55.8	-64.5	-175.4	0	0	111.9	K111 S201 T205 L206 R207	K111-E203 WeakPolarHBondContact CE-OE1 3.12Å; K111-E203 IonicContact NZ-OE1 3.46Å; K111-E203 PolarHBondContact NZ-OE1 3.1Å; K111-E203 IonicContact NZ-OE2 2.66Å; K111-E203 PolarHBondContact NZ-OE2 3.13Å; S201-E203 VanDerWaalsContact C-N 3.32Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.79Å; E203-L206 PolarHBondContact O-N 3.07Å; E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 2.88Å
204	E	98.8	Very high	98.4	Very high	77 Å²	77	47.7 Å²	47.7	36%	0.36	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-40.1	176.1	177.2	56.1	-165.3	0	0	110.9	S201 L206 R207 L208	S201-E204 PolarHBondContact OG-N 3.09Å; E204-L206 PolarHBondContact O-N 3.37Å; E204-R207 WeakPolarHBondContact O-CB 3.25Å; E204-R207 PolarHBondContact O-N 2.87Å; E204-R207 IonicContact OE1-CZ 2.79Å; E204-R207 IonicContact OE1-NE 3.54Å; E204-R207 PolarHBondContact OE1-NE 3.37Å; E204-R207 IonicContact OE1-NH2 2.7Å; E204-R207 PolarHBondContact OE1-NH2 3.32Å; E204-R207 IonicContact OE2-CZ 3.42Å; E204-R207 IonicContact OE2-NE 3.48Å; E204-R207 PolarHBondContact OE2-NE 3.09Å; E204-R207 IonicContact OE2-NH2 3.58Å; E204-L208 HydrophobicContact CG-CD1 4.16Å; E204-L208 WeakPolarHBondContact O-CG 3.42Å; E204-L208 PolarHBondContact O-N 3.23Å
205	T	98.9	Very high	98.4	Very high	7 Å²	7	48 Å²	48	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-47.4	176	-54.3	0	0	0	0	110.9	V89 F108 F115 L179 I181 S201 V202 E203 R207 L208 V209	V89-T205 HydrophobicContact CB-CG2 4.49Å; V89-T205 HydrophobicContact CG1-CG2 3.84Å; V89-T205 HydrophobicContact CG2-CG2 3.76Å; F108-T205 HydrophobicContact CE1-CG2 4Å; F108-T205 HydrophobicContact CZ-CG2 4.26Å; F115-T205 HydrophobicContact CE1-CG2 4.11Å; F115-T205 HydrophobicContact CZ-CG2 4.32Å; L179-T205 HydrophobicContact CD1-CG2 4.02Å; L179-T205 HydrophobicContact CD2-CG2 4.18Å; I181-T205 HydrophobicContact CD1-CG2 4.38Å; S201-T205 PolarHBondContact O-N 3.17Å; S201-T205 PolarHBondContact O-OG1 2.9Å; V202-T205 WeakPolarHBondContact O-CB 3.36Å; V202-T205 PolarHBondContact O-N 3.49Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.79Å; T205-R207 VanDerWaalsContact C-N 3.34Å; T205-R207 PolarHBondContact O-N 3.48Å; T205-L208 PolarHBondContact O-N 2.89Å; T205-V209 WeakPolarHBondContact O-CG2 3.37Å; T205-V209 PolarHBondContact O-N 3.25Å
206	L	98.7	Very high	98.3	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-37.9	177.7	-175.3	61.4	0	0	0	112.2	E114 F115 V118 V202 E203 E204 V209 K210	E114-L206 HydrophobicContact CB-CD1 4.46Å; E114-L206 HydrophobicContact CB-CD2 3.84Å; E114-L206 VanDerWaalsContact OE2-CD2 3.24Å; E114-L206 WeakPolarHBondContact OE2-CD2 3.46Å; F115-L206 HydrophobicContact CD1-CD1 3.87Å; F115-L206 HydrophobicContact CE1-CB 4.03Å; F115-L206 HydrophobicContact CE1-CD1 3.88Å; F115-L206 HydrophobicContact CG-CD1 4.2Å; F115-L206 HydrophobicContact CZ-CB 3.85Å; F115-L206 HydrophobicContact CZ-CD1 4.21Å; V118-L206 HydrophobicContact CG2-CD1 4.43Å; V202-L206 PolarHBondContact O-N 3.27Å; E203-L206 PolarHBondContact O-N 3.07Å; E204-L206 PolarHBondContact O-N 3.37Å; L206-V209 PolarHBondContact O-N 3.11Å; L206-K210 HydrophobicContact CG-CD 4.29Å; L206-K210 WeakPolarHBondContact O-CG 3.18Å; L206-K210 PolarHBondContact O-N 3.13Å; L206-K210 VanDerWaalsContact O-N 3.08Å
207	R	98.8	Very high	98.3	Very high	48 Å²	48	49.5 Å²	49.5	18%	0.181	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174.5	-169.7	-165	72.3	72.1	4.2	111.1	E203 E204 T205 K210 A211 W226	E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 2.88Å; E204-R207 WeakPolarHBondContact O-CB 3.25Å; E204-R207 PolarHBondContact O-N 2.87Å; E204-R207 IonicContact OE1-CZ 2.79Å; E204-R207 IonicContact OE1-NE 3.54Å; E204-R207 PolarHBondContact OE1-NE 3.37Å; E204-R207 IonicContact OE1-NH2 2.7Å; E204-R207 PolarHBondContact OE1-NH2 3.32Å; E204-R207 IonicContact OE2-CZ 3.42Å; E204-R207 IonicContact OE2-NE 3.48Å; E204-R207 PolarHBondContact OE2-NE 3.09Å; E204-R207 IonicContact OE2-NH2 3.58Å; T205-R207 VanDerWaalsContact C-N 3.34Å; T205-R207 PolarHBondContact O-N 3.48Å; R207-K210 PolarHBondContact O-N 3.33Å; R207-A211 WeakPolarHBondContact O-CB 3.23Å; R207-A211 PolarHBondContact O-N 3.27Å; R207-W226 WeakPolarHBondContact CD-O 3.47Å; R207-W226 VanDerWaalsContact CG-O 3.26Å; R207-W226 WeakPolarHBondContact CG-O 3.29Å; R207-W226 PolarHBondContact NH1-O 2.93Å
208	L	98.9	Very high	98.3	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.12	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-44.8	178.2	-72.4	168.5	0	0	0	112.1	I181 E204 T205 K210 A211 F212	I181-L208 HydrophobicContact CD1-CB 3.57Å; I181-L208 HydrophobicContact CD1-CD1 4.25Å; E204-L208 HydrophobicContact CG-CD1 4.16Å; E204-L208 WeakPolarHBondContact O-CG 3.42Å; E204-L208 PolarHBondContact O-N 3.23Å; T205-L208 PolarHBondContact O-N 2.89Å; L208-K210 VanDerWaalsContact C-N 3.34Å; L208-K210 PolarHBondContact O-N 2.84Å; L208-A211 PolarHBondContact O-N 3.45Å; L208-A211 VanDerWaalsContact O-N 3.17Å; L208-F212 HydrophobicContact CB-CE2 4.45Å; L208-F212 WeakPolarHBondContact O-CD2 3.26Å; L208-F212 PolarHBondContact O-N 3.21Å
209	V	98.8	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-50.4	174.5	171	0	0	0	0	110.6	V89 F115 V118 C120 I181 T205 L206 A211 F212 Q213	V89-V209 HydrophobicContact CG2-CG2 3.94Å; F115-V209 HydrophobicContact CE1-CG2 4.39Å; V118-V209 HydrophobicContact CG2-CG1 4.1Å; C120-V209 HydrophobicContact CB-CG1 3.99Å; I181-V209 HydrophobicContact CD1-CG2 4.09Å; I181-V209 HydrophobicContact CG2-CG2 4.05Å; T205-V209 WeakPolarHBondContact O-CG2 3.37Å; T205-V209 PolarHBondContact O-N 3.25Å; L206-V209 PolarHBondContact O-N 3.11Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 2.98Å; V209-F212 PolarHBondContact O-N 3.01Å; V209-Q213 WeakPolarHBondContact O-CG 2.91Å; V209-Q213 PolarHBondContact O-N 3.47Å; V209-Q213 VanDerWaalsContact O-N 3.1Å
210	K	98.7	Very high	98.1	Very high	58 Å²	58	49 Å²	49	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-36.1	178.4	-71.5	172.2	179.3	170.5	0	112.4	V118 L206 R207 L208 F214 W226 P228	V118-K210 HydrophobicContact CG1-CG 4.46Å; L206-K210 HydrophobicContact CG-CD 4.29Å; L206-K210 WeakPolarHBondContact O-CG 3.18Å; L206-K210 PolarHBondContact O-N 3.13Å; L206-K210 VanDerWaalsContact O-N 3.08Å; R207-K210 PolarHBondContact O-N 3.33Å; L208-K210 VanDerWaalsContact C-N 3.34Å; L208-K210 PolarHBondContact O-N 2.84Å; K210-F214 WeakPolarHBondContact O-CB 3.48Å; K210-F214 PolarHBondContact O-N 2.88Å; K210-W226 HydrophobicContact CB-CZ3 4.29Å; K210-P228 HydrophobicContact CD-CG 4.01Å
211	A	98.8	Very high	98.1	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-47.3	177.8	0	0	0	0	0	111.8	R207 L208 V209 Q213 F214 V215 C222 W226	R207-A211 WeakPolarHBondContact O-CB 3.23Å; R207-A211 PolarHBondContact O-N 3.27Å; L208-A211 PolarHBondContact O-N 3.45Å; L208-A211 VanDerWaalsContact O-N 3.17Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 2.98Å; A211-Q213 PolarHBondContact O-N 2.66Å; A211-F214 WeakPolarHBondContact O-CB 3.39Å; A211-F214 PolarHBondContact O-N 3.09Å; A211-V215 WeakPolarHBondContact O-CG2 3.46Å; A211-V215 PolarHBondContact O-N 3.02Å; A211-C222 HydrophobicContact CB-CB 4.43Å; A211-W226 VanDerWaalsContact CA-CZ3 3.43Å; A211-W226 HydrophobicContact CB-CE3 3.69Å; A211-W226 HydrophobicContact CB-CZ3 3.73Å
212	F	98.7	Very high	98.1	Very high	55 Å²	55	49 Å²	49	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-43.2	177.6	-73.6	-63.2	0	0	0	112.1	Y87 K189 H190 L208 V209 F214 V215 E216	Y87-F212 HydrophobicContact CE1-CB 4.07Å; K189-F212 HydrophobicContact CB-CD1 4.01Å; K189-F212 HydrophobicContact CB-CD2 3.95Å; K189-F212 HydrophobicContact CB-CE1 3.89Å; K189-F212 HydrophobicContact CB-CE2 3.85Å; K189-F212 HydrophobicContact CB-CG 4.05Å; K189-F212 HydrophobicContact CB-CZ 3.81Å; K189-F212 HydrophobicContact CG-CD1 4.43Å; K189-F212 HydrophobicContact CG-CG 4.44Å; K189-F212 VanDerWaalsContact O-CZ 3.26Å; K189-F212 WeakPolarHBondContact O-CZ 3.36Å; H190-F212 HydrophobicContact CB-CE2 3.78Å; H190-F212 HydrophobicContact CB-CZ 4.11Å; L208-F212 HydrophobicContact CB-CE2 4.45Å; L208-F212 WeakPolarHBondContact O-CD2 3.26Å; L208-F212 PolarHBondContact O-N 3.21Å; V209-F212 PolarHBondContact O-N 3.01Å; F212-F214 VanDerWaalsContact C-N 3.3Å; F212-F214 PolarHBondContact O-N 3.43Å; F212-V215 PolarHBondContact O-N 2.95Å; F212-E216 WeakPolarHBondContact O-CG 3.44Å; F212-E216 PolarHBondContact O-N 2.89Å
213	Q	98.5	Very high	98.1	Very high	38 Å²	38	49.7 Å²	49.7	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-38.3	175	-71.2	177.1	-6.9	0	0	112.8	Y87 V118 V209 A211 E216 T217	Y87-Q213 HydrophobicContact CD2-CG 3.88Å; Y87-Q213 VanDerWaalsContact CD2-NE2 3.3Å; Y87-Q213 HydrophobicContact CE2-CG 3.4Å; V118-Q213 PolarHBondContact O-NE2 2.92Å; V209-Q213 WeakPolarHBondContact O-CG 2.91Å; V209-Q213 PolarHBondContact O-N 3.47Å; V209-Q213 VanDerWaalsContact O-N 3.1Å; A211-Q213 PolarHBondContact O-N 2.66Å; Q213-E216 PolarHBondContact O-N 3.18Å; Q213-T217 WeakPolarHBondContact O-CB 3.23Å; Q213-T217 PolarHBondContact O-N 3.47Å; Q213-T217 PolarHBondContact O-OG1 2.81Å
214	F	98.5	Very high	98.1	Very high	46 Å²	46	49.4 Å²	49.4	20%	0.202	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-49.3	176.5	-178.1	-84.3	0	0	0	111.4	K210 A211 F212 E216 T217 H218 E220 W226 T232	K210-F214 WeakPolarHBondContact O-CB 3.48Å; K210-F214 PolarHBondContact O-N 2.88Å; A211-F214 WeakPolarHBondContact O-CB 3.39Å; A211-F214 PolarHBondContact O-N 3.09Å; F212-F214 VanDerWaalsContact C-N 3.3Å; F212-F214 PolarHBondContact O-N 3.43Å; F214-E216 VanDerWaalsContact C-N 3.32Å; F214-E216 PolarHBondContact O-N 3.39Å; F214-T217 PolarHBondContact O-N 2.88Å; F214-H218 AromaticContact CD2-CE1 3.6Å; F214-H218 AromaticContact CD2-ND1 3.47Å; F214-H218 WeakPolarHBondContact CD2-ND1 3.48Å; F214-H218 HydrophobicContact CE1-CB 4.06Å; F214-H218 AromaticContact CE2-CE1 3.57Å; F214-H218 AromaticContact CE2-CG 3.93Å; F214-H218 AromaticContact CE2-ND1 3.5Å; F214-H218 AromaticContact CG-ND1 3.77Å; F214-H218 HydrophobicContact CZ-CB 4.16Å; F214-H218 AromaticContact CZ-CG 3.83Å; F214-H218 AromaticContact CZ-ND1 3.8Å; F214-H218 PolarHBondContact O-N 3.16Å; F214-H218 PolarHBondContact O-ND1 3.11Å; F214-E220 HydrophobicContact CE1-CB 4.23Å; F214-W226 HydrophobicContact CB-CH2 3.88Å; F214-W226 HydrophobicContact CB-CZ2 4.03Å; F214-W226 HydrophobicContact CD1-CZ2 4.33Å; F214-W226 HydrophobicContact CD2-CH2 4.34Å; F214-W226 AromaticContact CD2-CZ2 3.84Å; F214-W226 HydrophobicContact CD2-CZ2 3.84Å; F214-W226 HydrophobicContact CE2-CZ2 4.43Å; F214-W226 HydrophobicContact CG-CH2 4.16Å; F214-W226 AromaticContact CG-CZ2 3.78Å; F214-W226 HydrophobicContact CG-CZ2 3.78Å; F214-T232 HydrophobicContact CD1-CG2 4.24Å; F214-T232 HydrophobicContact CE1-CG2 3.54Å; F214-T232 HydrophobicContact CZ-CG2 3.87Å
215	V	98.1	Very high	98	Very high	52 Å²	52	50.7 Å²	50.7	32%	0.315	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-43.2	179.2	174.9	0	0	0	0	110.8	A211 F212 T217 G219 E220	A211-V215 WeakPolarHBondContact O-CG2 3.46Å; A211-V215 PolarHBondContact O-N 3.02Å; F212-V215 PolarHBondContact O-N 2.95Å; V215-T217 VanDerWaalsContact C-N 3.32Å; V215-T217 PolarHBondContact O-N 3.04Å; V215-G219 WeakPolarHBondContact O-CA 3.14Å; V215-G219 PolarHBondContact O-N 3.19Å; V215-E220 WeakPolarHBondContact CG1-O 3.34Å; V215-E220 WeakPolarHBondContact CG2-O 3.29Å
216	E	96.1	Very high	98	Very high	88 Å²	88	50.7 Å²	50.7	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-34.9	178	-73.5	179.2	167.8	0	0	113	Y87 K189 F212 Q213 F214	Y87-E216 PolarHBondContact OH-OE1 2.89Å; Y87-E216 VanDerWaalsContact OH-OE1 3.13Å; Y87-E216 PolarHBondContact OH-OE2 3.16Å; K189-E216 WeakPolarHBondContact CE-OE1 3.26Å; K189-E216 IonicContact NZ-OE1 3.09Å; K189-E216 PolarHBondContact NZ-OE1 3.47Å; K189-E216 VanDerWaalsContact NZ-OE1 3.09Å; F212-E216 WeakPolarHBondContact O-CG 3.44Å; F212-E216 PolarHBondContact O-N 2.89Å; Q213-E216 PolarHBondContact O-N 3.18Å; F214-E216 VanDerWaalsContact C-N 3.32Å; F214-E216 PolarHBondContact O-N 3.39Å
217	T	96.8	Very high	97.9	Very high	109 Å²	109	53.8 Å²	53.8	67%	0.669	32%	0.315	S	S	*	.	H	α-helix	trans	-80.7	-36.8	-178.2	-55.4	0	0	0	0	112.7	Q213 F214 V215	Q213-T217 WeakPolarHBondContact O-CB 3.23Å; Q213-T217 PolarHBondContact O-N 3.47Å; Q213-T217 PolarHBondContact O-OG1 2.81Å; F214-T217 PolarHBondContact O-N 2.88Å; V215-T217 VanDerWaalsContact C-N 3.32Å; V215-T217 PolarHBondContact O-N 3.04Å
218	H	97.3	Very high	97.8	Very high	111 Å²	111	54.8 Å²	54.8	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-110	-19.7	-168.7	-57.3	84.3	0	0	0	114.2	F214 E220	F214-H218 AromaticContact CD2-CE1 3.6Å; F214-H218 AromaticContact CD2-ND1 3.47Å; F214-H218 WeakPolarHBondContact CD2-ND1 3.48Å; F214-H218 HydrophobicContact CE1-CB 4.06Å; F214-H218 AromaticContact CE2-CE1 3.57Å; F214-H218 AromaticContact CE2-CG 3.93Å; F214-H218 AromaticContact CE2-ND1 3.5Å; F214-H218 AromaticContact CG-ND1 3.77Å; F214-H218 HydrophobicContact CZ-CB 4.16Å; F214-H218 AromaticContact CZ-CG 3.83Å; F214-H218 AromaticContact CZ-ND1 3.8Å; F214-H218 PolarHBondContact O-N 3.16Å; F214-H218 PolarHBondContact O-ND1 3.11Å; H218-E220 PolarHBondContact O-N 2.75Å
219	G	96.1	Very high	97.6	Very high	49 Å²	49	64 Å²	64	51%	0.505	37%	0.367	S	S	.	.	S	Bend	trans	71.3	6.2	-175.9	0	0	0	0	0	114.9	V215 P235	V215-G219 WeakPolarHBondContact O-CA 3.14Å; V215-G219 PolarHBondContact O-N 3.19Å; G219-P235 WeakPolarHBondContact O-CD 3.48Å
220	E	97.1	Very high	97.5	Very high	47 Å²	47	65.7 Å²	65.7	22%	0.22	38%	0.379	C	S	.	.			trans	-90.3	164.9	169.5	-64.3	-172.7	-176.4	0	0	110.9	F214 V215 H218 T232 K234	F214-E220 HydrophobicContact CE1-CB 4.23Å; V215-E220 WeakPolarHBondContact CG1-O 3.34Å; V215-E220 WeakPolarHBondContact CG2-O 3.29Å; H218-E220 PolarHBondContact O-N 2.75Å; E220-T232 WeakPolarHBondContact OE2-CB 3.47Å; E220-T232 PolarHBondContact OE2-OG1 2.92Å; E220-K234 HydrophobicContact CG-CG 4.06Å
221	V	97.9	Very high	97.4	Very high	60 Å²	60	65.2 Å²	65.2	36%	0.364	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-107.4	146.2	176.9	-57.7	0	0	0	0	112.3	I233 P235	V221-I233 HydrophobicContact CG2-CB 3.72Å; V221-I233 HydrophobicContact CG2-CG1 4.38Å; V221-I233 WeakPolarHBondContact CG2-O 3.18Å; V221-I233 PolarHBondContact N-O 3.27Å; V221-I233 PolarHBondContact O-N 2.84Å; V221-P235 HydrophobicContact CG1-CB 4.14Å; V221-P235 HydrophobicContact CG1-CG 4.46Å
222	C	98.4	Very high	97.4	Very high	34 Å²	34	66.1 Å²	66.1	23%	0.23	39%	0.386	C	S	.	.			trans	-89.7	124.6	179.3	-65.1	0	0	0	0	110.9	A211 W226	A211-C222 HydrophobicContact CB-CB 4.43Å; C222-W226 HydrophobicContact CB-CB 3.82Å; C222-W226 HydrophobicContact CB-CD2 4.01Å; C222-W226 HydrophobicContact CB-CE3 4.48Å; C222-W226 HydrophobicContact CB-CG 3.71Å
223	P	98.2	Very high	97.4	Very high	24 Å²	24	64.7 Å²	64.7	16%	0.156	38%	0.381	C	S	.	.			trans	-69.7	175.7	175	29.5	-36.9	0	0	0	113.1	S225 W226 P231 I233 Y243	P223-S225 PolarHBondContact O-N 3.1Å; P223-W226 HydrophobicContact CG-CB 4.28Å; P223-W226 VanDerWaalsContact O-CB 3.24Å; P223-W226 WeakPolarHBondContact O-CB 3.23Å; P223-W226 PolarHBondContact O-N 3.27Å; P223-P231 WeakPolarHBondContact CD-O 3.42Å; P223-P231 WeakPolarHBondContact CG-O 3.37Å; P223-I233 HydrophobicContact CB-CD1 4.41Å; P223-Y243 HydrophobicContact CB-CE2 4.35Å; P223-Y243 WeakPolarHBondContact CB-OH 3.38Å; P223-Y243 HydrophobicContact CG-CE2 3.93Å
224	A	97.8	Very high	97.4	Very high	98 Å²	98	66.9 Å²	66.9	81%	0.81	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	138.1	173.4	0	0	0	0	0	111.3	W226	A224-W226 PolarHBondContact O-N 2.69Å; A224-W226 VanDerWaalsContact O-N 3.12Å
225	S	96.4	Very high	97.3	Very high	104 Å²	104	68.8 Å²	68.8	73%	0.727	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	23.1	-178.7	-53.6	0	0	0	0	114.9	P223 T227	P223-S225 PolarHBondContact O-N 3.1Å; S225-T227 PolarHBondContact O-N 3.32Å
226	W	98.5	Very high	97.3	Very high	7 Å²	7	69.7 Å²	69.7	3%	0.027	41%	0.413	C	S	.	.			trans	-56.9	135.9	176.5	176.3	92.9	0	0	0	111.7	R207 K210 A211 F214 C222 P223 A224 P228 S230	R207-W226 WeakPolarHBondContact CD-O 3.47Å; R207-W226 VanDerWaalsContact CG-O 3.26Å; R207-W226 WeakPolarHBondContact CG-O 3.29Å; R207-W226 PolarHBondContact NH1-O 2.93Å; K210-W226 HydrophobicContact CB-CZ3 4.29Å; A211-W226 VanDerWaalsContact CA-CZ3 3.43Å; A211-W226 HydrophobicContact CB-CE3 3.69Å; A211-W226 HydrophobicContact CB-CZ3 3.73Å; F214-W226 HydrophobicContact CB-CH2 3.88Å; F214-W226 HydrophobicContact CB-CZ2 4.03Å; F214-W226 HydrophobicContact CD1-CZ2 4.33Å; F214-W226 HydrophobicContact CD2-CH2 4.34Å; F214-W226 AromaticContact CD2-CZ2 3.84Å; F214-W226 HydrophobicContact CD2-CZ2 3.84Å; F214-W226 HydrophobicContact CE2-CZ2 4.43Å; F214-W226 HydrophobicContact CG-CH2 4.16Å; F214-W226 AromaticContact CG-CZ2 3.78Å; F214-W226 HydrophobicContact CG-CZ2 3.78Å; C222-W226 HydrophobicContact CB-CB 3.82Å; C222-W226 HydrophobicContact CB-CD2 4.01Å; C222-W226 HydrophobicContact CB-CE3 4.48Å; C222-W226 HydrophobicContact CB-CG 3.71Å; P223-W226 HydrophobicContact CG-CB 4.28Å; P223-W226 VanDerWaalsContact O-CB 3.24Å; P223-W226 WeakPolarHBondContact O-CB 3.23Å; P223-W226 PolarHBondContact O-N 3.27Å; A224-W226 PolarHBondContact O-N 2.69Å; A224-W226 VanDerWaalsContact O-N 3.12Å; W226-P228 HydrophobicContact CH2-CG 4.38Å; W226-S230 PolarHBondContact NE1-O 2.89Å
227	T	97.6	Very high	97.4	Very high	68 Å²	68	70 Å²	70	42%	0.417	42%	0.423	S	S	.	.			trans	-126.3	161.1	170.4	60.4	0	0	0	0	109.8	S225 K229 S230	S225-T227 PolarHBondContact O-N 3.32Å; T227-K229 PolarHBondContact O-N 2.78Å; T227-S230 PolarHBondContact N-OG 3.35Å; T227-S230 WeakPolarHBondContact O-CB 3.12Å; T227-S230 PolarHBondContact O-N 3.23Å; T227-S230 PolarHBondContact O-OG 2.73Å; T227-S230 PolarHBondContact OG1-OG 3.09Å
228	P	96.3	Very high	97.4	Very high	70 Å²	70	71.3 Å²	71.3	46%	0.455	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	133.4	176.9	-28.1	35.9	0	0	0	112	K210 W226 S230	K210-P228 HydrophobicContact CD-CG 4.01Å; W226-P228 HydrophobicContact CH2-CG 4.38Å; P228-S230 VanDerWaalsContact C-N 3.29Å; P228-S230 PolarHBondContact O-N 2.92Å
229	K	94.1	Very high	97.4	Very high	215 Å²	215	66.8 Å²	66.8	94%	0.935	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-0.7	-174.3	-46.5	172.8	-179.1	178.2	0	116	T227	T227-K229 PolarHBondContact O-N 2.78Å
230	S	97.2	Very high	97.5	Very high	36 Å²	36	65.5 Å²	65.5	25%	0.252	39%	0.388	S	S	.	.	S	Bend	trans	-68.2	151.7	169.9	-63.4	0	0	0	0	110.9	W226 T227 P228	W226-S230 PolarHBondContact NE1-O 2.89Å; T227-S230 PolarHBondContact N-OG 3.35Å; T227-S230 WeakPolarHBondContact O-CB 3.12Å; T227-S230 PolarHBondContact O-N 3.23Å; T227-S230 PolarHBondContact O-OG 2.73Å; T227-S230 PolarHBondContact OG1-OG 3.09Å; P228-S230 VanDerWaalsContact C-N 3.29Å; P228-S230 PolarHBondContact O-N 2.92Å
231	P	97.5	Very high	97.6	Very high	49 Å²	49	68.9 Å²	68.9	32%	0.318	40%	0.402	S	S	.	.			trans	-58.1	147.2	173.5	-20.7	32.3	0	0	0	112.2	P223 Y243 K246 V247	P223-P231 WeakPolarHBondContact CD-O 3.42Å; P223-P231 WeakPolarHBondContact CG-O 3.37Å; P231-Y243 HydrophobicContact CB-CD2 3.85Å; P231-Y243 HydrophobicContact CB-CE2 3.83Å; P231-K246 HydrophobicContact CB-CD 4.47Å; P231-K246 HydrophobicContact CG-CD 4.47Å; P231-V247 HydrophobicContact CB-CG1 4.48Å; P231-V247 HydrophobicContact CG-CG1 4.5Å
232	T	98.3	Very high	97.6	Very high	28 Å²	28	71.7 Å²	71.7	17%	0.172	41%	0.411	C	S	.	.			trans	-127.8	170.6	-176.7	40.4	0	0	0	0	110.5	F214 E220 Y243	F214-T232 HydrophobicContact CD1-CG2 4.24Å; F214-T232 HydrophobicContact CE1-CG2 3.54Å; F214-T232 HydrophobicContact CZ-CG2 3.87Å; E220-T232 WeakPolarHBondContact OE2-CB 3.47Å; E220-T232 PolarHBondContact OE2-OG1 2.92Å; T232-Y243 WeakPolarHBondContact O-CD2 3.2Å
233	I	98.5	Very high	97.6	Very high	26 Å²	26	72 Å²	72	13%	0.133	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-120.7	125.1	-172.4	-41.5	-179.2	0	0	0	109.6	V221 P223 P235 Y243	V221-I233 HydrophobicContact CG2-CB 3.72Å; V221-I233 HydrophobicContact CG2-CG1 4.38Å; V221-I233 WeakPolarHBondContact CG2-O 3.18Å; V221-I233 PolarHBondContact N-O 3.27Å; V221-I233 PolarHBondContact O-N 2.84Å; P223-I233 HydrophobicContact CB-CD1 4.41Å; I233-P235 WeakPolarHBondContact O-CD 3.41Å; I233-Y243 HydrophobicContact CB-CG 4.49Å; I233-Y243 HydrophobicContact CD1-CD1 3.75Å; I233-Y243 HydrophobicContact CD1-CE1 3.79Å; I233-Y243 HydrophobicContact CD1-CG 4.18Å; I233-Y243 HydrophobicContact CG1-CD1 3.72Å; I233-Y243 HydrophobicContact CG1-CD2 3.83Å; I233-Y243 HydrophobicContact CG1-CE1 4.07Å; I233-Y243 HydrophobicContact CG1-CE2 4.15Å; I233-Y243 HydrophobicContact CG1-CG 3.6Å
234	K	98.3	Very high	97.5	Very high	84 Å²	84	76 Å²	76	37%	0.365	42%	0.423	S	S	.	.			trans	-70.5	122.2	166.3	-68.9	167.7	-175.3	156.5	0	108.4	E220 T236 S240 E242	E220-K234 HydrophobicContact CG-CG 4.06Å; K234-T236 PolarHBondContact O-N 3.37Å; K234-S240 PolarHBondContact O-N 3.41Å; K234-E242 IonicContact NZ-OE2 2.72Å; K234-E242 PolarHBondContact NZ-OE2 3Å
235	P	97.4	Very high	97.6	Very high	86 Å²	86	78.4 Å²	78.4	56%	0.558	42%	0.417	S	S	*	.	S	Bend	trans	-79.8	54.6	-169.8	33.5	-37.4	0	0	0	112.7	G219 V221 I233	G219-P235 WeakPolarHBondContact O-CD 3.48Å; V221-P235 HydrophobicContact CG1-CB 4.14Å; V221-P235 HydrophobicContact CG1-CG 4.46Å; I233-P235 WeakPolarHBondContact O-CD 3.41Å
236	T	98.1	Very high	97.6	Very high	70 Å²	70	80.6 Å²	80.6	43%	0.429	41%	0.414	S	S	.	.	S	Bend	trans	-134.4	149.9	174	60.4	0	0	0	0	109.4	K234 E238 G239 S240	K234-T236 PolarHBondContact O-N 3.37Å; T236-E238 VanDerWaalsContact C-N 3.27Å; T236-E238 PolarHBondContact O-N 2.99Å; T236-G239 PolarHBondContact O-N 3.37Å; T236-G239 WeakPolarHBondContact OG1-CA 3Å; T236-G239 PolarHBondContact OG1-N 3.43Å; T236-S240 VanDerWaalsContact O-CB 3.25Å; T236-S240 WeakPolarHBondContact O-CB 3.44Å; T236-S240 PolarHBondContact O-N 3.18Å; T236-S240 PolarHBondContact O-OG 3.09Å
237	P	97.7	Very high	97.5	Very high	96 Å²	96	83.3 Å²	83.3	62%	0.623	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-42.5	179.7	-27.3	36	0	0	0	113.2	S240	P237-S240 PolarHBondContact O-OG 3.08Å; P237-S240 VanDerWaalsContact O-OG 3.06Å
238	E	97.8	Very high	97.3	Very high	135 Å²	135	88.6 Å²	88.6	63%	0.631	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-47.9	179.3	-66.1	66.6	-145.6	0	0	111.9	T236 S240 K241	T236-E238 VanDerWaalsContact C-N 3.27Å; T236-E238 PolarHBondContact O-N 2.99Å; E238-S240 VanDerWaalsContact C-N 3.27Å; E238-S240 PolarHBondContact O-N 2.86Å; E238-K241 WeakPolarHBondContact O-CB 3.37Å; E238-K241 PolarHBondContact O-N 3.25Å
239	G	97	Very high	97.4	Very high	17 Å²	17	89.5 Å²	89.5	18%	0.175	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.1	-176.8	0	0	0	0	0	113.5	T236 K241	T236-G239 PolarHBondContact O-N 3.37Å; T236-G239 WeakPolarHBondContact OG1-CA 3Å; T236-G239 PolarHBondContact OG1-N 3.43Å; G239-K241 PolarHBondContact O-N 3.14Å
240	S	98.1	Very high	97.6	Very high	22 Å²	22	82.9 Å²	82.9	15%	0.154	43%	0.431	C	S	.	.	H	α-helix	trans	-66.7	-24.1	178.2	69.3	0	0	0	0	113.6	K234 T236 P237 E238 E242 Y243 F244	K234-S240 PolarHBondContact O-N 3.41Å; T236-S240 VanDerWaalsContact O-CB 3.25Å; T236-S240 WeakPolarHBondContact O-CB 3.44Å; T236-S240 PolarHBondContact O-N 3.18Å; T236-S240 PolarHBondContact O-OG 3.09Å; P237-S240 PolarHBondContact O-OG 3.08Å; P237-S240 VanDerWaalsContact O-OG 3.06Å; E238-S240 VanDerWaalsContact C-N 3.27Å; E238-S240 PolarHBondContact O-N 2.86Å; S240-E242 VanDerWaalsContact C-N 3.29Å; S240-E242 PolarHBondContact O-N 3.12Å; S240-Y243 PolarHBondContact O-N 3.34Å; S240-Y243 VanDerWaalsContact O-N 3.15Å; S240-F244 WeakPolarHBondContact O-CD2 3.48Å; S240-F244 PolarHBondContact O-N 2.87Å
241	K	98	Very high	97.6	Very high	117 Å²	117	85.5 Å²	85.5	51%	0.509	44%	0.441	S	S	.	.	H	α-helix	trans	-61.7	-35.5	-178.6	-64.1	178	-177.7	175.2	0	112.6	E238 G239 Y243 F244 E245	E238-K241 WeakPolarHBondContact O-CB 3.37Å; E238-K241 PolarHBondContact O-N 3.25Å; G239-K241 PolarHBondContact O-N 3.14Å; K241-Y243 PolarHBondContact O-N 3.23Å; K241-F244 PolarHBondContact O-N 3.13Å; K241-F244 VanDerWaalsContact O-N 3.15Å; K241-E245 WeakPolarHBondContact O-CB 3.38Å; K241-E245 WeakPolarHBondContact O-CG 3.3Å; K241-E245 PolarHBondContact O-N 3.25Å
242	E	98	Very high	97.6	Very high	119 Å²	119	87.6 Å²	87.6	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-54.8	-41.4	176.1	-176.6	-174.5	166.2	0	0	111.8	K234 S240 K246	K234-E242 IonicContact NZ-OE2 2.72Å; K234-E242 PolarHBondContact NZ-OE2 3Å; S240-E242 VanDerWaalsContact C-N 3.29Å; S240-E242 PolarHBondContact O-N 3.12Å; E242-K246 VanDerWaalsContact O-CB 3.3Å; E242-K246 WeakPolarHBondContact O-CB 3.22Å; E242-K246 PolarHBondContact O-N 3.34Å
243	Y	98.1	Very high	97.6	Very high	42 Å²	42	91.4 Å²	91.4	17%	0.165	47%	0.466	C	S	.	.	H	α-helix	trans	-69.8	-50	176.4	172.9	-93.6	0	0	0	111.4	P223 P231 T232 I233 S240 K241 E245 K246 V247	P223-Y243 HydrophobicContact CB-CE2 4.35Å; P223-Y243 WeakPolarHBondContact CB-OH 3.38Å; P223-Y243 HydrophobicContact CG-CE2 3.93Å; P231-Y243 HydrophobicContact CB-CD2 3.85Å; P231-Y243 HydrophobicContact CB-CE2 3.83Å; T232-Y243 WeakPolarHBondContact O-CD2 3.2Å; I233-Y243 HydrophobicContact CB-CG 4.49Å; I233-Y243 HydrophobicContact CD1-CD1 3.75Å; I233-Y243 HydrophobicContact CD1-CE1 3.79Å; I233-Y243 HydrophobicContact CD1-CG 4.18Å; I233-Y243 HydrophobicContact CG1-CD1 3.72Å; I233-Y243 HydrophobicContact CG1-CD2 3.83Å; I233-Y243 HydrophobicContact CG1-CE1 4.07Å; I233-Y243 HydrophobicContact CG1-CE2 4.15Å; I233-Y243 HydrophobicContact CG1-CG 3.6Å; S240-Y243 PolarHBondContact O-N 3.34Å; S240-Y243 VanDerWaalsContact O-N 3.15Å; K241-Y243 PolarHBondContact O-N 3.23Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-E245 PolarHBondContact O-N 2.89Å; Y243-K246 PolarHBondContact O-N 3.09Å; Y243-V247 HydrophobicContact CD1-CG2 4.16Å; Y243-V247 HydrophobicContact CD2-CG1 4.14Å; Y243-V247 HydrophobicContact CE1-CG1 4.37Å; Y243-V247 HydrophobicContact CE1-CG2 3.75Å; Y243-V247 HydrophobicContact CE2-CG1 3.77Å; Y243-V247 WeakPolarHBondContact O-CG2 3.15Å; Y243-V247 PolarHBondContact O-N 3.05Å; Y243-V247 VanDerWaalsContact O-N 3.14Å
244	F	97.9	Very high	97.5	Very high	108 Å²	108	95.7 Å²	95.7	47%	0.474	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-33.4	-175.3	-68.4	-60.8	0	0	0	113	S240 K241 N248	S240-F244 WeakPolarHBondContact O-CD2 3.48Å; S240-F244 PolarHBondContact O-N 2.87Å; K241-F244 PolarHBondContact O-N 3.13Å; K241-F244 VanDerWaalsContact O-N 3.15Å; F244-N248 PolarHBondContact O-ND2 3.19Å
245	E	97.9	Very high	97.4	Very high	148 Å²	148	96.6 Å²	96.6	69%	0.692	50%	0.497	S	S	*	.	H	α-helix	trans	-70.5	-31.5	172.2	-71.8	173.7	-173.9	0	0	112.5	K241 Y243	K241-E245 WeakPolarHBondContact O-CB 3.38Å; K241-E245 WeakPolarHBondContact O-CG 3.3Å; K241-E245 PolarHBondContact O-N 3.25Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-E245 PolarHBondContact O-N 2.89Å
246	K	96.6	Very high	97.4	Very high	150 Å²	150	97.4 Å²	97.4	65%	0.652	49%	0.492	S	S	*	.	H	α-helix	trans	-77.4	-30.1	-177.6	-179.5	175.3	179.3	176.7	0	113.5	P231 E242 Y243	P231-K246 HydrophobicContact CB-CD 4.47Å; P231-K246 HydrophobicContact CG-CD 4.47Å; E242-K246 VanDerWaalsContact O-CB 3.3Å; E242-K246 WeakPolarHBondContact O-CB 3.22Å; E242-K246 PolarHBondContact O-N 3.34Å; Y243-K246 PolarHBondContact O-N 3.09Å
247	V	96.6	Very high	97.4	Very high	64 Å²	64	99.7 Å²	99.7	39%	0.388	50%	0.498	S	S	.	.			trans	-103	0.8	-172	-55.3	0	0	0	0	114.3	P231 Y243	P231-V247 HydrophobicContact CB-CG1 4.48Å; P231-V247 HydrophobicContact CG-CG1 4.5Å; Y243-V247 HydrophobicContact CD1-CG2 4.16Å; Y243-V247 HydrophobicContact CD2-CG1 4.14Å; Y243-V247 HydrophobicContact CE1-CG1 4.37Å; Y243-V247 HydrophobicContact CE1-CG2 3.75Å; Y243-V247 HydrophobicContact CE2-CG1 3.77Å; Y243-V247 WeakPolarHBondContact O-CG2 3.15Å; Y243-V247 PolarHBondContact O-N 3.05Å; Y243-V247 VanDerWaalsContact O-N 3.14Å
248	N	95	Very high	97.4	Very high	178 Å²	178	100 Å²	100	95%	0.952	49%	0.486	S	S	*	.			trans	-126.6	0	175.9	-61.3	-76.5	0	0	0	110.2	F244	F244-N248 PolarHBondContact O-ND2 3.19Å

Retrieved 248 of 248 residues in 167.6 ms (Link to these results)

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