A0A087XB72_POEFO Loading...

Oxidoreductase NAD-binding domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087XB72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 aa.

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(Predicted Aligned Error values between residue pairs)

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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	41.4	Very low	34.3	Very low	250 Å²	250	130.3 Å²	130.3	100%	1.232	84%	0.836	S	S	*	*				0	129.4	0	-82.5	172.4	167.2	0	0	107.8
2	S	32.5	Very low	34.2	Very low	125 Å²	125	127.2 Å²	127.2	87%	0.874	83%	0.831	S	S	*	*			trans	-87.4	150	-150.7	-42.1	0	0	0	0	113.9
3	A	36.3	Very low	34	Very low	91 Å²	91	135.8 Å²	135.8	75%	0.752	84%	0.836	S	S	*	*			trans	-69.5	168.1	152.5	0	0	0	0	0	109.1
4	P	46.8	Very low	33.8	Very low	119 Å²	119	142.7 Å²	142.7	77%	0.773	84%	0.839	S	S	*	*				-155.5	167.9	55.1	39.1	-15.4	0	0	0	118.9
5	C	31.6	Very low	33.7	Very low	119 Å²	119	146.1 Å²	146.1	80%	0.804	84%	0.84	S	S	*	*				26.6	137.3	129.7	-148.6	0	0	0	0	122.1
6	G	29.7	Very low	33.5	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	83%	0.83	S	S	*	*			trans	-168.6	105.2	159	0	0	0	0	0	113.7
7	L	32.9	Very low	33.3	Very low	147 Å²	147	147.7 Å²	147.7	77%	0.77	83%	0.834	S	S	*	*			trans	-69.4	163.6	161.7	-79.6	105	0	0	0	111
8	I	33	Very low	33.2	Very low	164 Å²	164	150.3 Å²	150.3	84%	0.841	84%	0.838	S	S	*	*				-174.5	129.9	123.7	-87.4	149.7	0	0	0	110.9
9	C	30	Very low	33.1	Very low	111 Å²	111	148.3 Å²	148.3	75%	0.75	84%	0.835	S	S	*	*			trans	-80.3	152.7	164.7	-71.6	0	0	0	0	112.1
10	T	31.8	Very low	33.7	Very low	137 Å²	137	147 Å²	147	84%	0.84	83%	0.833	S	S	*	*			trans	175.8	151.5	145.2	36.4	0	0	0	0	107.7
11	A	31.7	Very low	33.5	Very low	92 Å²	92	144.4 Å²	144.4	76%	0.76	83%	0.83	S	S	*	*			cis	-174.7	147.2	-20.6	0	0	0	0	0	104.2
12	A	32.3	Very low	33.1	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	81%	0.812	S	S	*	*			trans	-66.8	160.8	177.9	0	0	0	0	0	113.2
13	R	32	Very low	33.1	Very low	239 Å²	239	135.8 Å²	135.8	90%	0.902	81%	0.806	S	S	*	*			trans	-154	119.9	140.6	-106.5	168.7	-149.9	-147.1	5.7	111.8
14	R	31.3	Very low	33.2	Very low	233 Å²	233	137.6 Å²	137.6	88%	0.879	81%	0.81	S	S	*	*			trans	-82	150.8	163.7	-72.2	174.1	168.6	-171.9	-3.3	109.6
15	F	32.2	Very low	32.6	Very low	193 Å²	193	139.6 Å²	139.6	85%	0.846	81%	0.814	S	S	*	*			trans	-149.9	106.1	144	-89.8	-80.7	0	0	0	106.3
16	A	31	Very low	32.5	Very low	82 Å²	82	140.3 Å²	140.3	68%	0.678	82%	0.818	S	S	*	*				64.7	98.8	87.3	0	0	0	0	0	112.4
17	R	30.5	Very low	32.6	Very low	238 Å²	238	147.3 Å²	147.3	90%	0.898	82%	0.82	S	S	*	*				84.7	122.2	100.8	-98.8	-172	172	-175.3	-1.8	113.4
18	Q	30.3	Very low	32.4	Very low	194 Å²	194	147.6 Å²	147.6	91%	0.907	82%	0.822	S	S	*	*				-174.5	126.6	120.1	-97.2	168.8	28.1	0	0	111.6
19	S	31.6	Very low	32.3	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	82%	0.821	S	S	*	*			trans	-92.9	171.8	153.1	-56.7	0	0	0	0	106.9
20	P	44.7	Very low	32.4	Very low	122 Å²	122	150.7 Å²	150.7	79%	0.792	83%	0.831	S	S	*	*			cis	-152.9	-179.5	32.4	41.4	-18.1	0	0	0	119.2
21	A	30.5	Very low	32.4	Very low	94 Å²	94	147.2 Å²	147.2	78%	0.777	82%	0.822	S	S	*	*			trans	91.4	129.4	138.3	0	0	0	0	0	122.4
22	A	32.2	Very low	32.5	Very low	102 Å²	102	148.6 Å²	148.6	84%	0.843	82%	0.824	S	S	*	*			trans	106.6	117.1	136.6	0	0	0	0	0	118.2
23	A	33.5	Very low	32.5	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	82%	0.821	S	S	*	*			trans	-71.6	169.2	169.3	0	0	0	0	0	111.9
24	P	37.9	Very low	32.5	Very low	129 Å²	129	145.9 Å²	145.9	84%	0.838	82%	0.821	S	S	*	*				-139.2	164.5	98.2	30	-12.4	0	0	0	115.4
25	L	33.2	Very low	32.6	Very low	161 Å²	161	139.5 Å²	139.5	84%	0.843	81%	0.812	S	S	*	*			trans	-60.9	142.4	175.8	-78.5	103.2	0	0	0	113.3
26	C	30.8	Very low	32.7	Very low	134 Å²	134	137.4 Å²	137.4	91%	0.905	81%	0.81	S	S	*	*			trans	-142.1	127.5	145.9	-125.3	0	0	0	0	110.5
27	R	30.6	Very low	32.8	Very low	224 Å²	224	144 Å²	144	85%	0.845	82%	0.817	S	S	*	*			trans	-74.7	169	176.5	-82	177.3	164.4	-174.9	-3.9	111.3
28	L	29.8	Very low	33.1	Very low	154 Å²	154	143.3 Å²	143.3	81%	0.806	82%	0.815	S	S	*	*			trans	104	128	162.3	-64.5	153	0	0	0	112.8
29	L	31.3	Very low	33.3	Very low	158 Å²	158	141.6 Å²	141.6	83%	0.827	81%	0.812	S	S	*	*			cis	-154.3	142.3	7.1	-88.1	145.8	0	0	0	108.6
30	L	31.2	Very low	33.5	Very low	182 Å²	182	144.5 Å²	144.5	95%	0.953	82%	0.815	S	S	*	*			trans	-77	116.8	171.2	-76.3	155.5	0	0	0	109.8
31	G	32.8	Very low	33.1	Very low	63 Å²	63	143.4 Å²	143.4	65%	0.649	81%	0.811	S	S	*	*			trans	-92.2	144	162	0	0	0	0	0	110.5	G33	G31-G33 PolarHBondContact O-N 3.41Å
32	P	33.7	Very low	33.5	Very low	122 Å²	122	144 Å²	144	79%	0.792	81%	0.809	S	S	*	*			trans	-76.5	98	-179	30.5	-30.5	0	0	0	109.5	F34	P32-F34 PolarHBondContact O-N 3.44Å; P32-F34 VanDerWaalsContact O-N 3.15Å
33	G	31.6	Very low	34.2	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	81%	0.808	S	S	*	*			trans	-67.6	106.3	165.3	0	0	0	0	0	109.3	G31 S35	G31-G33 PolarHBondContact O-N 3.41Å; G33-S35 PolarHBondContact O-N 2.82Å
34	F	32.8	Very low	34.9	Very low	204 Å²	204	152.8 Å²	152.8	90%	0.895	81%	0.811	S	S	*	*			trans	-59.6	89.2	165.5	-95.8	-95.3	0	0	0	108.9	P32 N36	P32-F34 PolarHBondContact O-N 3.44Å; P32-F34 VanDerWaalsContact O-N 3.15Å; F34-N36 VanDerWaalsContact C-N 3.31Å; F34-N36 PolarHBondContact O-N 3.08Å
35	S	32.7	Very low	35.9	Very low	100 Å²	100	152.1 Å²	152.1	70%	0.699	80%	0.797	S	S	*	*			trans	-72.5	94	167.5	68.5	0	0	0	0	107.6	G33 R37	G33-S35 PolarHBondContact O-N 2.82Å; S35-R37 PolarHBondContact O-N 3.1Å
36	N	33.3	Very low	37.5	Very low	149 Å²	149	147.6 Å²	147.6	80%	0.797	78%	0.776	S	S	*	*			trans	-69.8	81.5	173.6	-146.9	-1.3	0	0	0	107.4	F34 R38	F34-N36 VanDerWaalsContact C-N 3.31Å; F34-N36 PolarHBondContact O-N 3.08Å; N36-R38 VanDerWaalsContact C-N 3.27Å; N36-R38 PolarHBondContact O-N 2.76Å
37	R	33.7	Very low	40	Very low	221 Å²	221	142.1 Å²	142.1	83%	0.834	74%	0.738	S	S	*	*			trans	-63.7	93	171	-82.8	-172.4	-177	-167.6	1.2	107.2	S35 N39	S35-R37 PolarHBondContact O-N 3.1Å; R37-N39 PolarHBondContact O-N 3.48Å
38	R	37.8	Very low	42.8	Very low	222 Å²	222	131.9 Å²	131.9	84%	0.838	70%	0.699	S	S	*	*			trans	-58.2	105.2	163.3	-70.1	-178.2	-171.7	167.8	2.8	106.7	N36 M40	N36-R38 VanDerWaalsContact C-N 3.27Å; N36-R38 PolarHBondContact O-N 2.76Å; R38-M40 PolarHBondContact O-N 2.8Å
39	N	33.5	Very low	45.7	Very low	159 Å²	159	127.1 Å²	127.1	85%	0.85	67%	0.674	S	S	*	*			trans	-62.1	87.1	163.9	-95.8	-12.2	0	0	0	107.7	R37 S41	R37-N39 PolarHBondContact O-N 3.48Å; N39-S41 PolarHBondContact O-N 3Å
40	M	36.7	Very low	48.6	Very low	172 Å²	172	125.6 Å²	125.6	85%	0.847	66%	0.663	S	S	*	*			trans	-72.4	82.7	161.1	-68.1	-153.3	-48.7	0	0	107.1	R38 S42	R38-M40 PolarHBondContact O-N 2.8Å; M40-S42 PolarHBondContact O-N 2.79Å
41	S	35.2	Very low	51.2	Low	100 Å²	100	120.5 Å²	120.5	70%	0.699	63%	0.631	S	S	*	*			trans	-66.4	90.2	159	179.1	0	0	0	0	106.7	N39 K43	N39-S41 PolarHBondContact O-N 3Å; S41-K43 PolarHBondContact O-N 2.95Å
42	S	39.8	Very low	54	Low	107 Å²	107	117.7 Å²	117.7	75%	0.748	60%	0.601	S	S	*	*			trans	-60.2	95.2	159.1	172.6	0	0	0	0	105.5	M40 K44	M40-S42 PolarHBondContact O-N 2.79Å; S42-K44 VanDerWaalsContact C-N 3.31Å; S42-K44 PolarHBondContact O-N 3.08Å
43	K	45.6	Very low	56.8	Low	189 Å²	189	115.3 Å²	115.3	82%	0.822	59%	0.592	S	S	*	*			trans	-56.8	104.3	168	-82.3	-175.9	177.2	-180	0	105.5	S41 Q45	S41-K43 PolarHBondContact O-N 2.95Å; K43-Q45 PolarHBondContact O-N 3.27Å
44	K	49.1	Very low	59.7	Low	188 Å²	188	117.5 Å²	117.5	82%	0.817	60%	0.596	S	S	*	*			trans	-48.7	112.1	174.6	-167.8	177.7	-178.9	-174.3	0	106.5	S42 T46	S42-K44 VanDerWaalsContact C-N 3.31Å; S42-K44 PolarHBondContact O-N 3.08Å; K44-T46 PolarHBondContact O-N 3.33Å
45	Q	57.9	Low	62.7	Low	116 Å²	116	110.3 Å²	110.3	54%	0.542	57%	0.567	S	S	.	*			trans	-64.3	104.7	-179	-163.1	174	17	0	0	105.8	K43 R51	K43-Q45 PolarHBondContact O-N 3.27Å; Q45-R51 VanDerWaalsContact CG-NH2 3.31Å
46	T	67.1	Low	65.7	Low	65 Å²	65	111 Å²	111	40%	0.399	56%	0.555	S	S	.	*			trans	-60.5	147.3	-176.3	29	0	0	0	0	110.4	K44 R51	K44-T46 PolarHBondContact O-N 3.33Å; T46-R51 WeakPolarHBondContact O-CD 3.3Å; T46-R51 PolarHBondContact O-NE 2.91Å; T46-R51 PolarHBondContact O-NH1 3.06Å; T46-R51 VanDerWaalsContact OG1-CG 3.28Å; T46-R51 WeakPolarHBondContact OG1-CG 3.49Å; T46-R51 PolarHBondContact OG1-NE 2.67Å
47	D	84.6	Confident	68.8	Low	20 Å²	20	106.2 Å²	106.2	11%	0.107	53%	0.526	C	S	.	.			trans	-67	152.9	-173.7	-163.3	77.1	0	0	0	111.3	L49 E50 R51 K104	D47-L49 VanDerWaalsContact C-N 3.25Å; D47-L49 PolarHBondContact O-N 3Å; D47-L49 PolarHBondContact OD2-N 3.41Å; D47-E50 HydrophobicContact CB-CB 4.32Å; D47-E50 HydrophobicContact CB-CG 3.98Å; D47-E50 PolarHBondContact N-OE2 2.98Å; D47-E50 PolarHBondContact O-N 2.97Å; D47-E50 VanDerWaalsContact O-N 3.16Å; D47-R51 VanDerWaalsContact O-CG 3.32Å; D47-R51 WeakPolarHBondContact O-CG 3.29Å; D47-R51 PolarHBondContact O-N 3.27Å; D47-K104 WeakPolarHBondContact OD1-CD 3.47Å; D47-K104 IonicContact OD1-NZ 3.78Å; D47-K104 PolarHBondContact OD1-NZ 2.85Å
48	H	89.1	Confident	71.8	Confident	8 Å²	8	96.9 Å²	96.9	4%	0.037	49%	0.492	C	S	.	.	H	α-helix	trans	-53.5	-45.6	177.8	168.6	58.8	0	0	0	111.4	E50 R51 T52 W94 D96 V105 G107	H48-E50 VanDerWaalsContact C-N 3.35Å; H48-E50 PolarHBondContact O-N 3.05Å; H48-R51 PolarHBondContact O-N 3.29Å; H48-T52 PolarHBondContact O-N 3.09Å; H48-T52 VanDerWaalsContact O-N 3.09Å; H48-T52 PolarHBondContact O-OG1 3.48Å; H48-W94 AromaticContact CE1-CE3 4Å; H48-W94 AromaticContact NE2-CE3 3.8Å; H48-W94 AromaticContact NE2-CH2 3.97Å; H48-W94 AromaticContact NE2-CZ3 3.57Å; H48-D96 IonicContact CD2-OD1 3.46Å; H48-D96 PolarHBondContact CD2-OD1 2.82Å; H48-D96 IonicContact CE1-OD1 2.81Å; H48-D96 IonicContact NE2-OD1 3.22Å; H48-D96 PolarHBondContact NE2-OD1 2.75Å; H48-V105 WeakPolarHBondContact CB-O 3.42Å; H48-G107 VanDerWaalsContact CE1-CA 3.42Å; H48-G107 WeakPolarHBondContact CE1-CA 3.29Å; H48-G107 WeakPolarHBondContact NE2-CA 3.42Å
49	L	91.1	Very high	74.6	Confident	54 Å²	54	94.3 Å²	94.3	28%	0.283	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-39.3	-179.6	-65.4	-179	0	0	0	112.4	D47 A53 D96 V105	D47-L49 VanDerWaalsContact C-N 3.25Å; D47-L49 PolarHBondContact O-N 3Å; D47-L49 PolarHBondContact OD2-N 3.41Å; L49-A53 WeakPolarHBondContact O-CA 3.4Å; L49-A53 WeakPolarHBondContact O-CB 3.36Å; L49-A53 PolarHBondContact O-N 2.87Å; L49-A53 VanDerWaalsContact O-N 3.15Å; L49-D96 WeakPolarHBondContact CD2-OD1 3.41Å; L49-V105 HydrophobicContact CD1-CB 4.29Å; L49-V105 HydrophobicContact CD1-CG2 3.95Å; L49-V105 HydrophobicContact CD2-CG1 4.26Å; L49-V105 HydrophobicContact CG-CB 4.19Å; L49-V105 HydrophobicContact CG-CG1 4.46Å; L49-V105 HydrophobicContact CG-CG2 4.4Å
50	E	90.7	Very high	77.6	Confident	127 Å²	127	88.4 Å²	88.4	59%	0.593	47%	0.468	S	S	*	.	H	α-helix	trans	-66.5	-43.7	177.7	-68.1	172.3	170.2	0	0	111.2	D47 H48 T52 A53	D47-E50 HydrophobicContact CB-CB 4.32Å; D47-E50 HydrophobicContact CB-CG 3.98Å; D47-E50 PolarHBondContact N-OE2 2.98Å; D47-E50 PolarHBondContact O-N 2.97Å; D47-E50 VanDerWaalsContact O-N 3.16Å; H48-E50 VanDerWaalsContact C-N 3.35Å; H48-E50 PolarHBondContact O-N 3.05Å; E50-T52 VanDerWaalsContact C-N 3.35Å; E50-T52 PolarHBondContact O-N 2.85Å; E50-A53 WeakPolarHBondContact O-CB 3.26Å; E50-A53 PolarHBondContact O-N 3.23Å
51	R	87.1	Confident	80.5	Confident	74 Å²	74	84.3 Å²	84.3	28%	0.279	45%	0.449	S	S	.	.	H	α-helix	trans	-71.8	-30.3	-174.6	-70.2	177.7	167.7	160.9	-21.2	113.5	Q45 T46 D47 H48 W311	Q45-R51 VanDerWaalsContact CG-NH2 3.31Å; T46-R51 WeakPolarHBondContact O-CD 3.3Å; T46-R51 PolarHBondContact O-NE 2.91Å; T46-R51 PolarHBondContact O-NH1 3.06Å; T46-R51 VanDerWaalsContact OG1-CG 3.28Å; T46-R51 WeakPolarHBondContact OG1-CG 3.49Å; T46-R51 PolarHBondContact OG1-NE 2.67Å; D47-R51 VanDerWaalsContact O-CG 3.32Å; D47-R51 WeakPolarHBondContact O-CG 3.29Å; D47-R51 PolarHBondContact O-N 3.27Å; H48-R51 PolarHBondContact O-N 3.29Å; R51-W311 HydrophobicContact CB-CH2 3.48Å; R51-W311 VanDerWaalsContact CB-CH2 3.48Å; R51-W311 HydrophobicContact CB-CZ2 3.25Å; R51-W311 HydrophobicContact CB-CZ3 4.32Å; R51-W311 HydrophobicContact CG-CH2 4.43Å; R51-W311 HydrophobicContact CG-CZ2 3.96Å
52	T	91.5	Very high	83.5	Confident	4 Å²	4	81.2 Å²	81.2	3%	0.025	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	17.9	179.3	54.1	0	0	0	0	111.7	H48 E50 S54 N55 R57 W94 W311	H48-T52 PolarHBondContact O-N 3.09Å; H48-T52 VanDerWaalsContact O-N 3.09Å; H48-T52 PolarHBondContact O-OG1 3.48Å; E50-T52 VanDerWaalsContact C-N 3.35Å; E50-T52 PolarHBondContact O-N 2.85Å; T52-S54 PolarHBondContact O-N 2.87Å; T52-S54 VanDerWaalsContact O-N 3.14Å; T52-N55 WeakPolarHBondContact CA-OD1 3.42Å; T52-N55 WeakPolarHBondContact CB-OD1 3.38Å; T52-N55 WeakPolarHBondContact O-CB 2.76Å; T52-N55 PolarHBondContact O-N 3.18Å; T52-N55 PolarHBondContact O-OD1 3.34Å; T52-R57 PolarHBondContact O-NH1 2.85Å; T52-R57 PolarHBondContact OG1-NH2 3.25Å; T52-W94 HydrophobicContact CG2-CZ2 4.37Å; T52-W311 HydrophobicContact CG2-CH2 3.62Å; T52-W311 HydrophobicContact CG2-CZ2 4.02Å
53	A	92.7	Very high	86.3	Confident	73 Å²	73	80.3 Å²	80.3	60%	0.603	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.9	-174.2	0	0	0	0	0	113.6	L49 E50	L49-A53 WeakPolarHBondContact O-CA 3.4Å; L49-A53 WeakPolarHBondContact O-CB 3.36Å; L49-A53 PolarHBondContact O-N 2.87Å; L49-A53 VanDerWaalsContact O-N 3.15Å; E50-A53 WeakPolarHBondContact O-CB 3.26Å; E50-A53 PolarHBondContact O-N 3.23Å
54	S	92.8	Very high	88.8	Confident	116 Å²	116	71.8 Å²	71.8	81%	0.811	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-7	177	59.6	0	0	0	0	114	T52	T52-S54 PolarHBondContact O-N 2.87Å; T52-S54 VanDerWaalsContact O-N 3.14Å
55	N	94.3	Very high	91.2	Very high	52 Å²	52	66.7 Å²	66.7	28%	0.278	36%	0.358	S	S	.	.	S	Bend	trans	-82.1	150.7	178.8	-68	106.8	0	0	0	111.4	T52 R57 W94 D155	T52-N55 WeakPolarHBondContact CA-OD1 3.42Å; T52-N55 WeakPolarHBondContact CB-OD1 3.38Å; T52-N55 WeakPolarHBondContact O-CB 2.76Å; T52-N55 PolarHBondContact O-N 3.18Å; T52-N55 PolarHBondContact O-OD1 3.34Å; N55-R57 PolarHBondContact O-N 2.99Å; N55-W94 HydrophobicContact CB-CZ2 4.22Å; N55-D155 VanDerWaalsContact CA-OD2 3.25Å; N55-D155 WeakPolarHBondContact CA-OD2 3.32Å; N55-D155 WeakPolarHBondContact CB-OD2 3.35Å; N55-D155 PolarHBondContact ND2-OD2 3Å
56	Y	96.3	Very high	93.1	Very high	116 Å²	116	61.1 Å²	61.1	46%	0.455	33%	0.332	S	S	.	.			trans	-53.7	140.2	170.7	173.1	-100.1	0	0	0	111.8	Q58 G153 G154 D155	Y56-Q58 HydrophobicContact CE1-CG 3.91Å; Y56-Q58 WeakPolarHBondContact OH-CG 3.13Å; Y56-G153 CarbonylContact O-C 3.58Å; Y56-G153 WeakPolarHBondContact O-CA 3.35Å; Y56-G154 PolarHBondContact O-N 3.27Å; Y56-D155 WeakPolarHBondContact CB-OD1 3.46Å; Y56-D155 PolarHBondContact N-OD1 2.93Å; Y56-D155 PolarHBondContact N-OD2 3.05Å
57	R	97.5	Very high	94.6	Very high	47 Å²	47	60.7 Å²	60.7	18%	0.177	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-138.9	138.5	168.7	-76.7	179.8	170.1	77	4	109.4	T52 N55 W94 D96 V152	T52-R57 PolarHBondContact O-NH1 2.85Å; T52-R57 PolarHBondContact OG1-NH2 3.25Å; N55-R57 PolarHBondContact O-N 2.99Å; R57-W94 HydrophobicContact CG-CH2 3.92Å; R57-W94 VanDerWaalsContact CZ-CH2 3.49Å; R57-W94 VanDerWaalsContact NH2-CH2 3.32Å; R57-D96 WeakPolarHBondContact CD-OD2 3.41Å; R57-D96 IonicContact CZ-OD1 2.74Å; R57-D96 IonicContact CZ-OD2 3.87Å; R57-D96 IonicContact NE-OD1 2.65Å; R57-D96 IonicContact NE-OD2 2.76Å; R57-D96 PolarHBondContact NE-OD2 2.88Å; R57-D96 IonicContact NH2-OD1 2.88Å; R57-D96 PolarHBondContact NH2-OD1 2.68Å; R57-D96 VanDerWaalsContact NH2-OD1 3.15Å; R57-D96 IonicContact NH2-OD2 3.77Å; R57-V152 WeakPolarHBondContact CA-O 3.07Å
58	Q	97.4	Very high	95.3	Very high	25 Å²	25	60.6 Å²	60.6	12%	0.117	33%	0.334	C	S	.	.			trans	-65.8	147.1	166.1	-69.6	-178.2	3.5	0	0	110.1	Y56 A60 S88 R151 V152	Y56-Q58 HydrophobicContact CE1-CG 3.91Å; Y56-Q58 WeakPolarHBondContact OH-CG 3.13Å; Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-S88 PolarHBondContact NE2-O 3.28Å; Q58-R151 WeakPolarHBondContact O-CD 3.25Å; Q58-R151 VanDerWaalsContact O-CG 3.29Å; Q58-R151 WeakPolarHBondContact O-CG 3.35Å; Q58-V152 HydrophobicContact CG-CB 4.16Å; Q58-V152 PolarHBondContact N-O 3.48Å
59	N	95.7	Very high	95.8	Very high	169 Å²	169	62.6 Å²	62.6	90%	0.904	35%	0.345	S	S	*	.	S	Bend	trans	-70.3	-30.5	176.5	-69.3	-29.2	0	0	0	112.5
60	A	96.8	Very high	96.1	Very high	34 Å²	34	63.5 Å²	63.5	28%	0.281	35%	0.352	S	S	.	.			trans	-75.2	138.6	-175.1	0	0	0	0	0	112	Q58 Y62 R151	Q58-A60 VanDerWaalsContact C-N 3.31Å; A60-Y62 HydrophobicContact CB-CD2 4.32Å; A60-Y62 HydrophobicContact CB-CE1 3.95Å; A60-Y62 HydrophobicContact CB-CE2 3.56Å; A60-Y62 VanDerWaalsContact CB-OH 3.31Å; A60-Y62 WeakPolarHBondContact CB-OH 3.45Å; A60-R151 WeakPolarHBondContact O-CG 3.45Å
61	L	98	Very high	96.4	Very high	87 Å²	87	62.3 Å²	62.3	46%	0.455	35%	0.354	S	S	.	.			trans	-112.9	117.5	170	178.8	66.6	0	0	0	107.7	Y98 A149 R151	L61-Y98 HydrophobicContact CD1-CD2 3.51Å; L61-Y98 HydrophobicContact CD1-CE2 3.64Å; L61-Y98 HydrophobicContact CD1-CG 4.34Å; L61-A149 HydrophobicContact CD1-CB 3.82Å; L61-A149 HydrophobicContact CD2-CB 4.24Å; L61-A149 HydrophobicContact CG-CB 3.95Å; L61-R151 HydrophobicContact CD1-CB 3.97Å
62	Y	98.4	Very high	96.9	Very high	35 Å²	35	60.9 Å²	60.9	14%	0.137	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134	-173.2	-63.3	-72.1	0	0	0	111.4	A60 H84 D86 F87 A149 M150	A60-Y62 HydrophobicContact CB-CD2 4.32Å; A60-Y62 HydrophobicContact CB-CE1 3.95Å; A60-Y62 HydrophobicContact CB-CE2 3.56Å; A60-Y62 VanDerWaalsContact CB-OH 3.31Å; A60-Y62 WeakPolarHBondContact CB-OH 3.45Å; Y62-H84 HydrophobicContact CD1-CB 3.57Å; Y62-H84 AromaticContact CD1-CG 3.76Å; Y62-H84 AromaticContact CD1-ND1 3.78Å; Y62-H84 HydrophobicContact CE1-CB 4.44Å; Y62-H84 AromaticContact CE1-ND1 3.9Å; Y62-H84 HydrophobicContact CG-CB 4.05Å; Y62-D86 HydrophobicContact CE1-CB 3.94Å; Y62-D86 PolarHBondContact OH-O 3.43Å; Y62-F87 HydrophobicContact CD2-CB 4.41Å; Y62-F87 AromaticContact CD2-CD2 3.53Å; Y62-F87 HydrophobicContact CD2-CD2 3.53Å; Y62-F87 HydrophobicContact CD2-CE2 4.22Å; Y62-F87 HydrophobicContact CD2-CG 4.32Å; Y62-F87 HydrophobicContact CE2-CD2 4.28Å; Y62-F87 AromaticContact CG-CD2 3.97Å; Y62-F87 HydrophobicContact CG-CD2 3.97Å; Y62-A149 CarbonylContact O-C 3.56Å; Y62-A149 VanDerWaalsContact O-CA 3.24Å; Y62-A149 WeakPolarHBondContact O-CA 3.46Å; Y62-M150 PolarHBondContact N-O 2.95Å; Y62-M150 PolarHBondContact O-N 3.48Å
63	P	98.3	Very high	97.1	Very high	88 Å²	88	61.1 Å²	61.1	57%	0.571	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	142.9	166.2	30.1	-33.8	0	0	0	109.5
64	A	98.7	Very high	97.3	Very high	9 Å²	9	66.5 Å²	66.5	7%	0.074	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.4	-179.7	0	0	0	0	0	110.8	I81 A82 V83 V148 M150	A64-I81 HydrophobicContact CB-CG2 3.71Å; A64-A82 VanDerWaalsContact CA-O 3.3Å; A64-A82 WeakPolarHBondContact CA-O 3.32Å; A64-A82 WeakPolarHBondContact CB-O 3.26Å; A64-V83 HydrophobicContact CB-CG1 4.17Å; A64-V148 HydrophobicContact CB-CG2 3.99Å; A64-V148 PolarHBondContact N-O 3.14Å; A64-V148 PolarHBondContact O-N 3.36Å; A64-M150 HydrophobicContact CB-CG 4.23Å; A64-M150 HydrophobicContact CB-SD 3.81Å
65	Q	98.8	Very high	97.5	Very high	81 Å²	81	63 Å²	63	38%	0.379	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.4	-178.3	-172	176.5	46.4	0	0	111.2	C67 I81 A82 G145 S146	Q65-C67 PolarHBondContact O-N 2.73Å; Q65-I81 CarbonylContact O-C 3.6Å; Q65-I81 WeakPolarHBondContact O-CA 3.41Å; Q65-A82 PolarHBondContact N-O 2.61Å; Q65-A82 PolarHBondContact O-N 3.35Å; Q65-G145 PolarHBondContact NE2-O 2.79Å; Q65-S146 WeakPolarHBondContact CA-O 3.32Å
66	V	98.9	Very high	97.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	116.6	172.7	-179.3	0	0	0	0	108.5	I69 L79 I81 G145 S146	V66-I69 HydrophobicContact CG1-CD1 4.05Å; V66-I69 HydrophobicContact CG1-CG1 3.73Å; V66-L79 HydrophobicContact CG1-CD2 4.33Å; V66-L79 HydrophobicContact CG2-CD1 4.48Å; V66-I81 HydrophobicContact CG2-CG1 4.43Å; V66-G145 PolarHBondContact O-N 3.35Å; V66-S146 PolarHBondContact N-O 3.02Å
67	C	98.8	Very high	97.8	Very high	55 Å²	55	57.4 Å²	57.4	37%	0.372	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-8.5	-179.9	63.5	0	0	0	0	113.3	Q65 R80	Q65-C67 PolarHBondContact O-N 2.73Å; C67-R80 PolarHBondContact N-O 2.95Å; C67-R80 PolarHBondContact SG-O 2.76Å; C67-R80 VanDerWaalsContact SG-O 3.37Å
68	G	98.8	Very high	97.9	Very high	18 Å²	18	58 Å²	58	19%	0.186	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	150.8	173.3	0	0	0	0	0	112.3	L79 R80	G68-L79 WeakPolarHBondContact O-CA 3.33Å; G68-R80 PolarHBondContact N-O 3.4Å; G68-R80 VanDerWaalsContact N-O 3.13Å; G68-R80 PolarHBondContact O-N 3.21Å
69	I	98.8	Very high	97.9	Very high	51 Å²	51	56.8 Å²	56.8	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	127.7	176	-54.9	-176.9	0	0	0	108.2	V66 K77 R78 L79 V144	V66-I69 HydrophobicContact CG1-CD1 4.05Å; V66-I69 HydrophobicContact CG1-CG1 3.73Å; I69-K77 HydrophobicContact CG2-CD 4.33Å; I69-R78 CarbonylContact C-O 3.59Å; I69-R78 WeakPolarHBondContact CA-O 3.46Å; I69-L79 HydrophobicContact CB-CD2 4.41Å; I69-L79 HydrophobicContact CD1-CD2 4.15Å; I69-L79 HydrophobicContact CG1-CD2 3.79Å; I69-L79 HydrophobicContact CG2-CD2 4.13Å; I69-V144 HydrophobicContact CG1-CG2 4.17Å
70	V	98.1	Very high	98.1	Very high	72 Å²	72	52.6 Å²	52.6	44%	0.436	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.3	175.5	178	0	0	0	0	108.9	E72 K77 R78	V70-E72 PolarHBondContact O-N 3.13Å; V70-K77 CarbonylContact O-C 3.55Å; V70-K77 WeakPolarHBondContact O-CA 3.44Å; V70-R78 PolarHBondContact N-O 3.43Å; V70-R78 PolarHBondContact O-N 3.43Å
71	T	97.9	Very high	98.2	Very high	102 Å²	102	51 Å²	51	63%	0.626	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	105.3	167.2	-59.5	0	0	0	0	108	S73	T71-S73 WeakPolarHBondContact CG2-O 3.2Å
72	E	96.5	Very high	98.2	Very high	44 Å²	44	48.5 Å²	48.5	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-34.2	-177.1	-169.5	70.2	-150.7	0	0	111.3	V70 V76 R78 L221 F222	V70-E72 PolarHBondContact O-N 3.13Å; E72-V76 HydrophobicContact CB-CB 4.39Å; E72-V76 HydrophobicContact CB-CG1 4.18Å; E72-V76 PolarHBondContact N-O 3.24Å; E72-R78 HydrophobicContact CB-CB 4.3Å; E72-R78 IonicContact OE2-CZ 3.2Å; E72-R78 IonicContact OE2-NE 3.24Å; E72-R78 PolarHBondContact OE2-NE 3.07Å; E72-R78 IonicContact OE2-NH2 3.93Å; E72-R78 PolarHBondContact OE2-NH2 3.5Å; E72-L221 HydrophobicContact CB-CD2 4.4Å; E72-L221 HydrophobicContact CG-CB 4.19Å; E72-L221 HydrophobicContact CG-CD2 3.8Å; E72-L221 HydrophobicContact CG-CG 4.47Å; E72-F222 HydrophobicContact CG-CD1 4.41Å; E72-F222 HydrophobicContact CG-CE1 4.05Å; E72-F222 VanDerWaalsContact OE1-CD1 3.28Å; E72-F222 WeakPolarHBondContact OE1-CD1 3.29Å; E72-F222 PolarHBondContact OE1-N 3.13Å
73	S	96.4	Very high	98.2	Very high	10 Å²	10	47.8 Å²	47.8	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	175.5	165.3	83.6	0	0	0	0	109.7	T71 T75 V76 E218 E219	T71-S73 WeakPolarHBondContact CG2-O 3.2Å; S73-T75 PolarHBondContact O-N 2.88Å; S73-T75 PolarHBondContact OG-N 2.84Å; S73-T75 VanDerWaalsContact OG-N 3.12Å; S73-V76 PolarHBondContact N-O 3.12Å; S73-V76 VanDerWaalsContact N-O 3.16Å; S73-V76 PolarHBondContact O-N 3.09Å; S73-V76 VanDerWaalsContact O-O 3.1Å; S73-V76 PolarHBondContact OG-N 3.43Å; S73-E218 VanDerWaalsContact CB-O 3.29Å; S73-E218 WeakPolarHBondContact CB-O 3.38Å; S73-E219 PolarHBondContact OG-OE1 3.42Å
74	E	95.6	Very high	98.2	Very high	186 Å²	186	46.9 Å²	46.9	87%	0.869	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.4	172.7	-66.9	-173.1	166.9	0	0	113.2
75	T	97.3	Very high	98.1	Very high	41 Å²	41	52.2 Å²	52.2	25%	0.252	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-4.7	-177.8	75.9	0	0	0	0	114.1	S73 K128 Y129 E219	S73-T75 PolarHBondContact O-N 2.88Å; S73-T75 PolarHBondContact OG-N 2.84Å; S73-T75 VanDerWaalsContact OG-N 3.12Å; T75-K128 CarbonylContact O-C 3.27Å; T75-K128 VanDerWaalsContact O-CA 3.28Å; T75-K128 WeakPolarHBondContact O-CA 3.5Å; T75-K128 WeakPolarHBondContact OG1-CE 3.46Å; T75-K128 PolarHBondContact OG1-NZ 3.24Å; T75-K128 VanDerWaalsContact OG1-NZ 3.15Å; T75-Y129 PolarHBondContact O-N 3.31Å; T75-E219 VanDerWaalsContact OG1-CD 3.23Å; T75-E219 PolarHBondContact OG1-OE1 3.04Å; T75-E219 PolarHBondContact OG1-OE2 2.92Å
76	V	98.5	Very high	98.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.4	-172.1	-177.2	0	0	0	0	111.5	E72 S73 A126 I127 K128 V176 L221	E72-V76 HydrophobicContact CB-CB 4.39Å; E72-V76 HydrophobicContact CB-CG1 4.18Å; E72-V76 PolarHBondContact N-O 3.24Å; S73-V76 PolarHBondContact N-O 3.12Å; S73-V76 VanDerWaalsContact N-O 3.16Å; S73-V76 PolarHBondContact O-N 3.09Å; S73-V76 VanDerWaalsContact O-O 3.1Å; S73-V76 PolarHBondContact OG-N 3.43Å; V76-A126 HydrophobicContact CG1-CB 3.91Å; V76-I127 WeakPolarHBondContact CA-O 3.32Å; V76-K128 HydrophobicContact CG2-CB 4.04Å; V76-K128 HydrophobicContact CG2-CG 4.24Å; V76-V176 HydrophobicContact CG2-CG1 4.07Å; V76-L221 HydrophobicContact CB-CD1 4.45Å; V76-L221 HydrophobicContact CB-CD2 3.95Å; V76-L221 HydrophobicContact CG1-CD1 3.98Å; V76-L221 HydrophobicContact CG1-CD2 4.2Å; V76-L221 HydrophobicContact CG2-CD1 4.15Å; V76-L221 HydrophobicContact CG2-CD2 3.91Å
77	K	98.7	Very high	98	Very high	50 Å²	50	53.8 Å²	53.8	22%	0.217	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	168.8	-75.4	-174.6	-179.6	-174.8	0	109.8	I69 V70 A126 I127 V138 H139	I69-K77 HydrophobicContact CG2-CD 4.33Å; V70-K77 CarbonylContact O-C 3.55Å; V70-K77 WeakPolarHBondContact O-CA 3.44Å; K77-A126 CarbonylContact O-C 3.56Å; K77-A126 WeakPolarHBondContact O-CA 3.47Å; K77-I127 PolarHBondContact N-O 3.33Å; K77-I127 PolarHBondContact O-N 3.1Å; K77-V138 HydrophobicContact CB-CG1 4.38Å; K77-H139 PolarHBondContact NZ-O 2.78Å
78	R	98.8	Very high	98	Very high	58 Å²	58	54.3 Å²	54.3	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.4	169.7	-178.7	157.8	55.5	102.7	4.6	110.2	I69 V70 E72 E124 L125 A126	I69-R78 CarbonylContact C-O 3.59Å; I69-R78 WeakPolarHBondContact CA-O 3.46Å; V70-R78 PolarHBondContact N-O 3.43Å; V70-R78 PolarHBondContact O-N 3.43Å; E72-R78 HydrophobicContact CB-CB 4.3Å; E72-R78 IonicContact OE2-CZ 3.2Å; E72-R78 IonicContact OE2-NE 3.24Å; E72-R78 PolarHBondContact OE2-NE 3.07Å; E72-R78 IonicContact OE2-NH2 3.93Å; E72-R78 PolarHBondContact OE2-NH2 3.5Å; R78-E124 HydrophobicContact CG-CB 4.48Å; R78-E124 IonicContact CZ-OE2 2.84Å; R78-E124 VanDerWaalsContact NH1-CD 3.28Å; R78-E124 IonicContact NH1-OE1 3.96Å; R78-E124 PolarHBondContact NH1-OE1 3.32Å; R78-E124 IonicContact NH1-OE2 3.15Å; R78-E124 PolarHBondContact NH1-OE2 3.34Å; R78-L125 CarbonylContact C-O 3.57Å; R78-L125 VanDerWaalsContact CA-O 3.31Å; R78-L125 WeakPolarHBondContact CA-O 3.29Å; R78-A126 HydrophobicContact CB-CB 4.4Å
79	L	98.9	Very high	98	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.7	173.2	-54.5	-175.5	0	0	0	109	V66 G68 I69 I81 F97 E124 L125 I127 V138	V66-L79 HydrophobicContact CG1-CD2 4.33Å; V66-L79 HydrophobicContact CG2-CD1 4.48Å; G68-L79 WeakPolarHBondContact O-CA 3.33Å; I69-L79 HydrophobicContact CB-CD2 4.41Å; I69-L79 HydrophobicContact CD1-CD2 4.15Å; I69-L79 HydrophobicContact CG1-CD2 3.79Å; I69-L79 HydrophobicContact CG2-CD2 4.13Å; L79-I81 HydrophobicContact CB-CD1 4.13Å; L79-I81 HydrophobicContact CB-CG1 4.02Å; L79-F97 HydrophobicContact CD1-CZ 4.34Å; L79-E124 CarbonylContact O-C 3.59Å; L79-E124 WeakPolarHBondContact O-CA 3.46Å; L79-L125 PolarHBondContact N-O 2.9Å; L79-L125 PolarHBondContact O-N 2.84Å; L79-I127 HydrophobicContact CD1-CD1 4.02Å; L79-V138 HydrophobicContact CD1-CG1 3.93Å; L79-V138 HydrophobicContact CD1-CG2 3.96Å; L79-V138 HydrophobicContact CD2-CG1 4.11Å; L79-V138 HydrophobicContact CG-CG1 4.16Å
80	R	98.8	Very high	98	Very high	81 Å²	81	55.2 Å²	55.2	31%	0.306	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.9	164.2	-172.3	177.7	162.4	118.1	-4.5	107.8	C67 G68 E120 V122 E124	C67-R80 PolarHBondContact N-O 2.95Å; C67-R80 PolarHBondContact SG-O 2.76Å; C67-R80 VanDerWaalsContact SG-O 3.37Å; G68-R80 PolarHBondContact N-O 3.4Å; G68-R80 VanDerWaalsContact N-O 3.13Å; G68-R80 PolarHBondContact O-N 3.21Å; R80-E120 IonicContact CZ-OE2 3.83Å; R80-E120 IonicContact NH1-OE2 3.54Å; R80-E120 PolarHBondContact NH1-OE2 3.07Å; R80-E120 IonicContact NH2-OE2 3.15Å; R80-E120 PolarHBondContact NH2-OE2 2.65Å; R80-V122 HydrophobicContact CG-CB 4.22Å; R80-V122 HydrophobicContact CG-CG1 4.4Å; R80-V122 HydrophobicContact CG-CG2 4.25Å; R80-E124 HydrophobicContact CB-CG 4.45Å; R80-E124 HydrophobicContact CG-CG 4.31Å
81	I	98.9	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.7	-165.5	-56.2	167.7	0	0	0	109.1	A64 Q65 V66 L79 V83 F97 V122 V123 L125 M150	A64-I81 HydrophobicContact CB-CG2 3.71Å; Q65-I81 CarbonylContact O-C 3.6Å; Q65-I81 WeakPolarHBondContact O-CA 3.41Å; V66-I81 HydrophobicContact CG2-CG1 4.43Å; L79-I81 HydrophobicContact CB-CD1 4.13Å; L79-I81 HydrophobicContact CB-CG1 4.02Å; I81-V83 HydrophobicContact CG2-CG1 4.24Å; I81-F97 HydrophobicContact CD1-CE2 3.89Å; I81-V122 CarbonylContact O-C 3.55Å; I81-V122 WeakPolarHBondContact O-CA 3.36Å; I81-V122 WeakPolarHBondContact O-CB 3.37Å; I81-V123 HydrophobicContact CB-CG2 4.24Å; I81-V123 PolarHBondContact N-O 3.33Å; I81-V123 PolarHBondContact O-N 3.46Å; I81-L125 HydrophobicContact CD1-CD1 3.52Å; I81-L125 HydrophobicContact CD1-CG 3.8Å; I81-M150 HydrophobicContact CD1-SD 4.03Å; I81-M150 HydrophobicContact CG2-SD 3.79Å
82	A	98.8	Very high	98	Very high	36 Å²	36	47 Å²	47	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.5	169.3	0	0	0	0	0	109.7	A64 Q65 V122	A64-A82 VanDerWaalsContact CA-O 3.3Å; A64-A82 WeakPolarHBondContact CA-O 3.32Å; A64-A82 WeakPolarHBondContact CB-O 3.26Å; Q65-A82 PolarHBondContact N-O 2.61Å; Q65-A82 PolarHBondContact O-N 3.35Å; A82-V122 HydrophobicContact CB-CG1 4.42Å
83	V	98.6	Very high	98.1	Very high	19 Å²	19	45.1 Å²	45.1	12%	0.115	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	166	-174.4	-64.3	0	0	0	0	111.6	A64 I81 F87 L117 G121 V123 M150	A64-V83 HydrophobicContact CB-CG1 4.17Å; I81-V83 HydrophobicContact CG2-CG1 4.24Å; V83-F87 HydrophobicContact CB-CB 3.85Å; V83-F87 HydrophobicContact CB-CD1 4.32Å; V83-F87 HydrophobicContact CB-CD2 4Å; V83-F87 HydrophobicContact CB-CG 3.8Å; V83-F87 HydrophobicContact CG1-CD1 4.46Å; V83-F87 HydrophobicContact CG1-CD2 4.13Å; V83-F87 HydrophobicContact CG1-CE2 4.32Å; V83-F87 HydrophobicContact CG1-CG 4.21Å; V83-F87 HydrophobicContact CG2-CB 3.66Å; V83-F87 HydrophobicContact CG2-CD1 3.94Å; V83-F87 HydrophobicContact CG2-CD2 4.47Å; V83-F87 HydrophobicContact CG2-CG 3.78Å; V83-L117 HydrophobicContact CG2-CD1 3.41Å; V83-L117 VanDerWaalsContact CG2-CD1 3.41Å; V83-G121 PolarHBondContact N-O 2.99Å; V83-G121 VanDerWaalsContact N-O 3.13Å; V83-V123 HydrophobicContact CG1-CG2 3.84Å; V83-M150 HydrophobicContact CG1-SD 4.49Å
84	H	97.9	Very high	98.2	Very high	70 Å²	70	44.7 Å²	44.7	32%	0.324	23%	0.232	S	C	.	.			trans	-58.9	146.1	174.5	-168.7	-93.6	0	0	0	111.7	Y62 D86 F87	Y62-H84 HydrophobicContact CD1-CB 3.57Å; Y62-H84 AromaticContact CD1-CG 3.76Å; Y62-H84 AromaticContact CD1-ND1 3.78Å; Y62-H84 HydrophobicContact CE1-CB 4.44Å; Y62-H84 AromaticContact CE1-ND1 3.9Å; Y62-H84 HydrophobicContact CG-CB 4.05Å; H84-D86 IonicContact CE1-OD2 3.8Å; H84-D86 PolarHBondContact CE1-OD2 2.84Å; H84-D86 VanDerWaalsContact CE1-OD2 3.25Å; H84-D86 PolarHBondContact ND1-N 2.69Å; H84-D86 IonicContact ND1-OD2 2.81Å; H84-D86 PolarHBondContact O-N 3.33Å; H84-F87 WeakPolarHBondContact O-CB 3.39Å; H84-F87 PolarHBondContact O-N 2.94Å
85	P	97	Very high	98.4	Very high	120 Å²	120	35.8 Å²	35.8	78%	0.779	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.5	179.3	-29.5	36.8	0	0	0	115.3	F87	P85-F87 PolarHBondContact O-N 3.41Å
86	D	97.4	Very high	98.4	Very high	108 Å²	108	33.9 Å²	33.9	58%	0.578	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.3	177.7	-58.1	-25.8	0	0	0	113.7	Y62 H84 S88	Y62-D86 HydrophobicContact CE1-CB 3.94Å; Y62-D86 PolarHBondContact OH-O 3.43Å; H84-D86 IonicContact CE1-OD2 3.8Å; H84-D86 PolarHBondContact CE1-OD2 2.84Å; H84-D86 VanDerWaalsContact CE1-OD2 3.25Å; H84-D86 PolarHBondContact ND1-N 2.69Å; H84-D86 IonicContact ND1-OD2 2.81Å; H84-D86 PolarHBondContact O-N 3.33Å; D86-S88 PolarHBondContact O-N 3.3Å
87	F	98.4	Very high	98.4	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.031	18%	0.178	C	C	.	.			trans	-62.4	131.6	175.6	-168.3	-80.4	0	0	0	109.1	Y62 V83 H84 P85 F89 V95 M110 L117 V123 M150 V152	Y62-F87 HydrophobicContact CD2-CB 4.41Å; Y62-F87 AromaticContact CD2-CD2 3.53Å; Y62-F87 HydrophobicContact CD2-CD2 3.53Å; Y62-F87 HydrophobicContact CD2-CE2 4.22Å; Y62-F87 HydrophobicContact CD2-CG 4.32Å; Y62-F87 HydrophobicContact CE2-CD2 4.28Å; Y62-F87 AromaticContact CG-CD2 3.97Å; Y62-F87 HydrophobicContact CG-CD2 3.97Å; V83-F87 HydrophobicContact CB-CB 3.85Å; V83-F87 HydrophobicContact CB-CD1 4.32Å; V83-F87 HydrophobicContact CB-CD2 4Å; V83-F87 HydrophobicContact CB-CG 3.8Å; V83-F87 HydrophobicContact CG1-CD1 4.46Å; V83-F87 HydrophobicContact CG1-CD2 4.13Å; V83-F87 HydrophobicContact CG1-CE2 4.32Å; V83-F87 HydrophobicContact CG1-CG 4.21Å; V83-F87 HydrophobicContact CG2-CB 3.66Å; V83-F87 HydrophobicContact CG2-CD1 3.94Å; V83-F87 HydrophobicContact CG2-CD2 4.47Å; V83-F87 HydrophobicContact CG2-CG 3.78Å; H84-F87 WeakPolarHBondContact O-CB 3.39Å; H84-F87 PolarHBondContact O-N 2.94Å; P85-F87 PolarHBondContact O-N 3.41Å; F87-F89 HydrophobicContact CE1-CB 4.39Å; F87-F89 HydrophobicContact CE1-CD1 4.06Å; F87-V95 HydrophobicContact CZ-CG1 4.04Å; F87-M110 HydrophobicContact CE1-SD 4.33Å; F87-M110 HydrophobicContact CZ-SD 4.45Å; F87-L117 HydrophobicContact CD1-CD1 4.44Å; F87-L117 HydrophobicContact CD1-CD2 3.92Å; F87-L117 WeakPolarHBondContact O-CD2 3.16Å; F87-V123 HydrophobicContact CD1-CG1 4.28Å; F87-V123 HydrophobicContact CE1-CG1 3.83Å; F87-M150 HydrophobicContact CE2-CB 3.99Å; F87-M150 HydrophobicContact CE2-CE 4.21Å; F87-M150 HydrophobicContact CZ-CE 4.02Å; F87-V152 HydrophobicContact CD2-CG2 4.5Å; F87-V152 HydrophobicContact CE1-CG2 3.73Å; F87-V152 HydrophobicContact CE2-CG2 3.7Å; F87-V152 HydrophobicContact CZ-CG2 3.25Å
88	S	98.1	Very high	98.4	Very high	65 Å²	65	34 Å²	34	46%	0.455	18%	0.178	S	C	.	.			trans	-147	145.9	177.2	58.1	0	0	0	0	110.3	Q58 D86	Q58-S88 PolarHBondContact NE2-O 3.28Å; D86-S88 PolarHBondContact O-N 3.3Å
89	F	98.6	Very high	98.4	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.075	17%	0.17	C	C	.	.			trans	-151.5	163.4	177.7	76.9	-75.1	0	0	0	110.9	F87 M110 S112 P114 L117 V123 V152	F87-F89 HydrophobicContact CE1-CB 4.39Å; F87-F89 HydrophobicContact CE1-CD1 4.06Å; F89-M110 HydrophobicContact CB-CE 3.66Å; F89-M110 HydrophobicContact CB-SD 4Å; F89-M110 HydrophobicContact CD1-SD 3.95Å; F89-M110 HydrophobicContact CD2-CB 4.44Å; F89-M110 HydrophobicContact CD2-CE 3.39Å; F89-M110 HydrophobicContact CD2-SD 3.47Å; F89-M110 WeakPolarHBondContact CD2-SD 3.23Å; F89-M110 HydrophobicContact CE1-SD 4.3Å; F89-M110 HydrophobicContact CE2-CB 4.1Å; F89-M110 HydrophobicContact CE2-CE 4.2Å; F89-M110 HydrophobicContact CE2-SD 3.86Å; F89-M110 HydrophobicContact CG-CE 3.66Å; F89-M110 HydrophobicContact CG-SD 3.53Å; F89-M110 VanDerWaalsContact CG-SD 3.53Å; F89-M110 HydrophobicContact CZ-SD 4.26Å; F89-S112 WeakPolarHBondContact CE2-O 3.47Å; F89-S112 WeakPolarHBondContact CZ-O 3.44Å; F89-P114 HydrophobicContact CE2-CG 4.18Å; F89-P114 HydrophobicContact CZ-CG 4.16Å; F89-L117 HydrophobicContact CD1-CD2 3.57Å; F89-L117 HydrophobicContact CE1-CB 3.94Å; F89-L117 HydrophobicContact CE1-CD2 3.68Å; F89-L117 HydrophobicContact CE1-CG 4.47Å; F89-V123 HydrophobicContact CD1-CG1 4.14Å; F89-V123 HydrophobicContact CE1-CG1 3.72Å; F89-V123 HydrophobicContact CZ-CG1 4.42Å; F89-V152 HydrophobicContact CB-CG1 3.9Å; F89-V152 HydrophobicContact CB-CG2 4.19Å
90	K	98.7	Very high	98.3	Very high	72 Å²	72	36.4 Å²	36.4	31%	0.313	20%	0.2	S	C	.	.			trans	-103.9	145.9	172	-58.8	-177.2	-180	-164.8	0	110.4	G92 Q93 Y157 D159	K90-G92 PolarHBondContact O-N 3.38Å; K90-Q93 HydrophobicContact CB-CG 4.23Å; K90-Q93 WeakPolarHBondContact O-CB 3.19Å; K90-Q93 WeakPolarHBondContact O-CG 3.22Å; K90-Q93 PolarHBondContact O-N 3.12Å; K90-Y157 HydrophobicContact CB-CD1 4.33Å; K90-Y157 HydrophobicContact CB-CD2 3.95Å; K90-Y157 HydrophobicContact CB-CG 3.73Å; K90-Y157 HydrophobicContact CD-CD1 4.06Å; K90-Y157 HydrophobicContact CD-CD2 3.42Å; K90-Y157 VanDerWaalsContact CD-CD2 3.42Å; K90-Y157 HydrophobicContact CD-CE1 4Å; K90-Y157 HydrophobicContact CD-CE2 3.39Å; K90-Y157 HydrophobicContact CD-CG 3.78Å; K90-Y157 HydrophobicContact CG-CD2 4.34Å; K90-Y157 HydrophobicContact CG-CG 4.42Å; K90-Y157 PolarHBondContact NZ-OH 2.82Å; K90-D159 HydrophobicContact CD-CB 3.95Å; K90-D159 WeakPolarHBondContact CD-OD2 3.36Å; K90-D159 WeakPolarHBondContact CE-OD2 3.47Å; K90-D159 IonicContact NZ-OD2 3.25Å; K90-D159 PolarHBondContact NZ-OD2 2.79Å
91	A	98.7	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-61.4	120	-176.5	0	0	0	0	0	111.2	P114 Y157 F158 S183 I184 H187	A91-P114 HydrophobicContact CB-CG 4.26Å; A91-Y157 CarbonylContact O-C 3.58Å; A91-Y157 WeakPolarHBondContact O-CA 3.32Å; A91-Y157 VanDerWaalsContact O-CB 3.23Å; A91-Y157 WeakPolarHBondContact O-CB 3.38Å; A91-F158 PolarHBondContact O-N 2.86Å; A91-S183 WeakPolarHBondContact CA-OG 3.34Å; A91-I184 HydrophobicContact CB-CG1 4.25Å; A91-I184 WeakPolarHBondContact O-CG1 3.39Å; A91-H187 HydrophobicContact CB-CB 3.39Å
92	G	98.5	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.3	-19.7	-173.5	0	0	0	0	0	114.7	K90 F156 P180 S183	K90-G92 PolarHBondContact O-N 3.38Å; G92-F156 CarbonylContact C-O 3.43Å; G92-F156 VanDerWaalsContact CA-O 3.3Å; G92-F156 WeakPolarHBondContact CA-O 3.45Å; G92-P180 VanDerWaalsContact O-CB 3.29Å; G92-P180 WeakPolarHBondContact O-CB 3.44Å; G92-S183 PolarHBondContact N-OG 2.87Å
93	Q	98.4	Very high	97.9	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	27%	0.268	C	S	.	.			trans	-67.6	165.1	179.5	-70.9	-169.4	-59.7	0	0	113.4	K90 M110 V152 G153 G154 F156 Y157	K90-Q93 HydrophobicContact CB-CG 4.23Å; K90-Q93 WeakPolarHBondContact O-CB 3.19Å; K90-Q93 WeakPolarHBondContact O-CG 3.22Å; K90-Q93 PolarHBondContact O-N 3.12Å; Q93-M110 HydrophobicContact CB-CE 3.67Å; Q93-M110 WeakPolarHBondContact O-CE 3.11Å; Q93-M110 PolarHBondContact O-N 2.75Å; Q93-V152 HydrophobicContact CB-CG1 4.2Å; Q93-G153 WeakPolarHBondContact CB-O 3.37Å; Q93-G154 PolarHBondContact NE2-O 2.79Å; Q93-F156 PolarHBondContact N-O 2.99Å; Q93-Y157 HydrophobicContact CG-CD1 4.06Å; Q93-Y157 HydrophobicContact CG-CG 4.47Å
94	W	98.3	Very high	97.8	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	172.8	174.8	56.3	-100.9	0	0	0	112	H48 T52 N55 R57 D96 F108 G153 W310	H48-W94 AromaticContact CE1-CE3 4Å; H48-W94 AromaticContact NE2-CE3 3.8Å; H48-W94 AromaticContact NE2-CH2 3.97Å; H48-W94 AromaticContact NE2-CZ3 3.57Å; T52-W94 HydrophobicContact CG2-CZ2 4.37Å; N55-W94 HydrophobicContact CB-CZ2 4.22Å; R57-W94 HydrophobicContact CG-CH2 3.92Å; R57-W94 VanDerWaalsContact CZ-CH2 3.49Å; R57-W94 VanDerWaalsContact NH2-CH2 3.32Å; W94-D96 HydrophobicContact CZ3-CB 4.26Å; W94-D96 VanDerWaalsContact CZ3-CG 3.48Å; W94-D96 WeakPolarHBondContact CZ3-OD1 3.03Å; W94-F108 CarbonylContact C-O 3.55Å; W94-F108 VanDerWaalsContact CA-O 3.28Å; W94-F108 WeakPolarHBondContact CA-O 3.45Å; W94-F108 VanDerWaalsContact CB-O 3.32Å; W94-F108 WeakPolarHBondContact CB-O 3.37Å; W94-G153 VanDerWaalsContact CE2-C 3.46Å; W94-G153 PolarHBondContact N-O 3.12Å; W94-G153 PolarHBondContact O-N 2.89Å; W94-G153 VanDerWaalsContact O-O 3.08Å; W94-W310 HydrophobicContact CB-CH2 3.78Å; W94-W310 HydrophobicContact CB-CZ2 3.81Å; W94-W310 AromaticContact CD1-CH2 3.9Å; W94-W310 AromaticContact CD1-CZ2 3.79Å; W94-W310 HydrophobicContact CD2-CH2 4.34Å; W94-W310 AromaticContact CG-CH2 3.72Å; W94-W310 HydrophobicContact CG-CH2 3.72Å; W94-W310 AromaticContact CG-CZ2 3.91Å; W94-W310 HydrophobicContact CG-CZ2 3.91Å
95	V	98.6	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.4	175.1	-59.7	0	0	0	0	111	F87 F97 F108 M110 L125 M150 R151 V152	F87-V95 HydrophobicContact CZ-CG1 4.04Å; V95-F97 HydrophobicContact CG2-CD2 4.49Å; V95-F97 PolarHBondContact O-N 2.67Å; V95-F108 PolarHBondContact N-O 3.35Å; V95-F108 PolarHBondContact O-N 3.19Å; V95-M110 HydrophobicContact CG1-CE 3.83Å; V95-M110 HydrophobicContact CG1-CG 4.09Å; V95-M110 HydrophobicContact CG1-SD 3.71Å; V95-L125 HydrophobicContact CG2-CD1 3.87Å; V95-L125 HydrophobicContact CG2-CD2 3.86Å; V95-M150 HydrophobicContact CB-CE 3.81Å; V95-M150 HydrophobicContact CG1-CE 3.57Å; V95-M150 HydrophobicContact CG2-CE 3.65Å; V95-R151 CarbonylContact C-O 3.55Å; V95-R151 VanDerWaalsContact CA-O 3.32Å; V95-R151 WeakPolarHBondContact CA-O 3.43Å; V95-V152 HydrophobicContact CG1-CG2 4.32Å
96	D	98.4	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	117.5	158.1	-71.8	-29.8	0	0	0	105.8	H48 L49 R57 W94 Y98 V105 G106 M150 R151	H48-D96 IonicContact CD2-OD1 3.46Å; H48-D96 PolarHBondContact CD2-OD1 2.82Å; H48-D96 IonicContact CE1-OD1 2.81Å; H48-D96 IonicContact NE2-OD1 3.22Å; H48-D96 PolarHBondContact NE2-OD1 2.75Å; L49-D96 WeakPolarHBondContact CD2-OD1 3.41Å; R57-D96 WeakPolarHBondContact CD-OD2 3.41Å; R57-D96 IonicContact CZ-OD1 2.74Å; R57-D96 IonicContact CZ-OD2 3.87Å; R57-D96 IonicContact NE-OD1 2.65Å; R57-D96 IonicContact NE-OD2 2.76Å; R57-D96 PolarHBondContact NE-OD2 2.88Å; R57-D96 IonicContact NH2-OD1 2.88Å; R57-D96 PolarHBondContact NH2-OD1 2.68Å; R57-D96 VanDerWaalsContact NH2-OD1 3.15Å; R57-D96 IonicContact NH2-OD2 3.77Å; W94-D96 HydrophobicContact CZ3-CB 4.26Å; W94-D96 VanDerWaalsContact CZ3-CG 3.48Å; W94-D96 WeakPolarHBondContact CZ3-OD1 3.03Å; D96-Y98 HydrophobicContact CB-CD2 4.25Å; D96-Y98 HydrophobicContact CB-CE2 3.49Å; D96-Y98 VanDerWaalsContact CB-CE2 3.49Å; D96-V105 HydrophobicContact CB-CG1 3.83Å; D96-G106 CarbonylContact C-O 3.51Å; D96-G106 WeakPolarHBondContact CA-O 3.39Å; D96-M150 WeakPolarHBondContact O-CA 3.09Å; D96-R151 HydrophobicContact CB-CB 4.24Å; D96-R151 PolarHBondContact N-O 3.18Å; D96-R151 PolarHBondContact O-N 2.88Å; D96-R151 VanDerWaalsContact O-N 3.12Å; D96-R151 IonicContact OD2-CZ 2.59Å; D96-R151 VanDerWaalsContact OD2-CZ 3.24Å; D96-R151 IonicContact OD2-NE 2.73Å; D96-R151 PolarHBondContact OD2-NE 2.84Å; D96-R151 IonicContact OD2-NH2 2.99Å; D96-R151 PolarHBondContact OD2-NH2 2.94Å
97	F	98.4	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	102.8	-173.3	-165.8	-101.4	0	0	0	110.1	L79 I81 V95 I99 G106 F108 L125 W137 V138 V148 M150	L79-F97 HydrophobicContact CD1-CZ 4.34Å; I81-F97 HydrophobicContact CD1-CE2 3.89Å; V95-F97 HydrophobicContact CG2-CD2 4.49Å; V95-F97 PolarHBondContact O-N 2.67Å; F97-I99 HydrophobicContact CD1-CD1 3.72Å; F97-I99 HydrophobicContact CD1-CG1 3.57Å; F97-I99 HydrophobicContact CE1-CD1 3.75Å; F97-I99 HydrophobicContact CE1-CG1 3.5Å; F97-I99 VanDerWaalsContact CE1-CG1 3.5Å; F97-G106 PolarHBondContact N-O 2.73Å; F97-G106 PolarHBondContact O-N 2.87Å; F97-G106 VanDerWaalsContact O-N 3.12Å; F97-F108 HydrophobicContact CB-CD2 3.69Å; F97-F108 HydrophobicContact CB-CE2 3.91Å; F97-F108 HydrophobicContact CD1-CD2 4.31Å; F97-F108 AromaticContact CD1-CE2 3.95Å; F97-F108 HydrophobicContact CD1-CE2 3.95Å; F97-F108 AromaticContact CG-CD2 3.97Å; F97-F108 HydrophobicContact CG-CD2 3.97Å; F97-F108 HydrophobicContact CG-CE2 4.06Å; F97-L125 HydrophobicContact CD2-CD1 3.8Å; F97-L125 HydrophobicContact CE2-CD1 3.89Å; F97-W137 HydrophobicContact CE1-CE3 4.46Å; F97-W137 HydrophobicContact CE1-CZ3 4.09Å; F97-W137 HydrophobicContact CZ-CZ3 4.47Å; F97-V138 HydrophobicContact CE1-CG2 4.31Å; F97-V148 HydrophobicContact CE1-CB 4.48Å; F97-V148 HydrophobicContact CE1-CG1 3.89Å; F97-V148 HydrophobicContact CE2-CB 4.16Å; F97-V148 HydrophobicContact CE2-CG1 4.25Å; F97-V148 HydrophobicContact CE2-CG2 3.7Å; F97-V148 HydrophobicContact CZ-CB 4.01Å; F97-V148 HydrophobicContact CZ-CG1 3.6Å; F97-V148 HydrophobicContact CZ-CG2 3.88Å; F97-M150 HydrophobicContact CD2-CG 3.94Å; F97-M150 HydrophobicContact CD2-SD 4.19Å; F97-M150 HydrophobicContact CE2-CG 4.33Å; F97-M150 HydrophobicContact CE2-SD 4.16Å
98	Y	98.5	Very high	97.6	Very high	55 Å²	55	36.7 Å²	36.7	22%	0.216	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.6	-177.5	-65	-93	0	0	0	110.5	L61 D96 V105 V148 A149 R151	L61-Y98 HydrophobicContact CD1-CD2 3.51Å; L61-Y98 HydrophobicContact CD1-CE2 3.64Å; L61-Y98 HydrophobicContact CD1-CG 4.34Å; D96-Y98 HydrophobicContact CB-CD2 4.25Å; D96-Y98 HydrophobicContact CB-CE2 3.49Å; D96-Y98 VanDerWaalsContact CB-CE2 3.49Å; Y98-V105 HydrophobicContact CD1-CG1 4.29Å; Y98-V105 HydrophobicContact CD1-CG2 3.69Å; Y98-V105 HydrophobicContact CD2-CG1 4.41Å; Y98-V105 HydrophobicContact CE1-CB 4.37Å; Y98-V105 HydrophobicContact CE1-CG1 4.01Å; Y98-V105 HydrophobicContact CE1-CG2 3.37Å; Y98-V105 HydrophobicContact CE2-CG1 4.15Å; Y98-V105 HydrophobicContact CG-CG1 4.48Å; Y98-V148 WeakPolarHBondContact O-CA 3.31Å; Y98-V148 WeakPolarHBondContact O-CB 3.42Å; Y98-A149 WeakPolarHBondContact CB-O 3.48Å; Y98-A149 PolarHBondContact N-O 2.88Å; Y98-A149 PolarHBondContact O-N 2.94Å; Y98-R151 HydrophobicContact CE2-CB 4.35Å; Y98-R151 PolarHBondContact OH-NH1 3.49Å; Y98-R151 PolarHBondContact OH-NH2 3.11Å
99	I	98.5	Very high	97.6	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.051	19%	0.193	C	C	.	.			trans	-113	124.2	-179.1	-58.5	156.6	0	0	0	108.4	F97 G101 V102 P134 W137 V148	F97-I99 HydrophobicContact CD1-CD1 3.72Å; F97-I99 HydrophobicContact CD1-CG1 3.57Å; F97-I99 HydrophobicContact CE1-CD1 3.75Å; F97-I99 HydrophobicContact CE1-CG1 3.5Å; F97-I99 VanDerWaalsContact CE1-CG1 3.5Å; I99-G101 PolarHBondContact O-N 3.39Å; I99-V102 HydrophobicContact CB-CB 3.95Å; I99-V102 HydrophobicContact CB-CG2 3.9Å; I99-V102 HydrophobicContact CG2-CB 4.18Å; I99-V102 HydrophobicContact CG2-CG2 3.57Å; I99-V102 PolarHBondContact O-N 3.02Å; I99-P134 HydrophobicContact CD1-CB 3.9Å; I99-W137 HydrophobicContact CD1-CB 4.19Å; I99-W137 HydrophobicContact CD1-CD2 3.88Å; I99-W137 HydrophobicContact CD1-CE3 3.57Å; I99-W137 HydrophobicContact CD1-CG 4.14Å; I99-W137 HydrophobicContact CD1-CZ3 4.26Å; I99-W137 HydrophobicContact CG1-CD2 4.29Å; I99-W137 HydrophobicContact CG1-CE3 3.97Å; I99-W137 HydrophobicContact CG1-CZ3 4.21Å; I99-W137 HydrophobicContact CG2-CD2 3.62Å; I99-W137 VanDerWaalsContact CG2-CE2 3.46Å; I99-W137 HydrophobicContact CG2-CE3 4.08Å; I99-W137 HydrophobicContact CG2-CG 3.99Å; I99-W137 HydrophobicContact CG2-CH2 4.29Å; I99-W137 HydrophobicContact CG2-CZ2 3.85Å; I99-W137 HydrophobicContact CG2-CZ3 4.39Å; I99-V148 HydrophobicContact CG1-CG1 4.27Å
100	P	97.9	Very high	97.6	Very high	99 Å²	99	33 Å²	33	64%	0.643	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	128.3	175.4	-26.6	35.2	0	0	0	112.1	V102 R147	P100-V102 VanDerWaalsContact C-N 3.29Å; P100-V102 PolarHBondContact O-N 2.9Å; P100-R147 VanDerWaalsContact CD-O 3.27Å; P100-R147 WeakPolarHBondContact CD-O 3.05Å
101	G	96.5	Very high	97.6	Very high	89 Å²	89	29.6 Å²	29.6	92%	0.918	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	1.2	-179.4	0	0	0	0	0	115.5	I99	I99-G101 PolarHBondContact O-N 3.39Å
102	V	97	Very high	97.6	Very high	35 Å²	35	29.6 Å²	29.6	21%	0.212	17%	0.174	C	C	.	.			trans	-108.7	116.3	172.3	-177.8	0	0	0	0	108.8	I99 P100 K104 P133 W137	I99-V102 HydrophobicContact CB-CB 3.95Å; I99-V102 HydrophobicContact CB-CG2 3.9Å; I99-V102 HydrophobicContact CG2-CB 4.18Å; I99-V102 HydrophobicContact CG2-CG2 3.57Å; I99-V102 PolarHBondContact O-N 3.02Å; P100-V102 VanDerWaalsContact C-N 3.29Å; P100-V102 PolarHBondContact O-N 2.9Å; V102-K104 PolarHBondContact O-N 3.28Å; V102-P133 HydrophobicContact CG1-CB 3.74Å; V102-W137 HydrophobicContact CG2-CG 4.32Å
103	E	93.6	Very high	97.6	Very high	190 Å²	190	29.8 Å²	29.8	89%	0.888	18%	0.176	S	C	*	.	S	Bend	trans	-64.6	-29.1	-176.5	-65.1	-175.8	165.7	0	0	113.6
104	K	95.6	Very high	97.6	Very high	82 Å²	82	30.2 Å²	30.2	36%	0.357	18%	0.179	S	C	.	.	S	Bend	trans	-88.3	136.2	-176.7	-66.4	-63.4	-176.4	-175	0	110.9	D47 V102 P133 P134	D47-K104 WeakPolarHBondContact OD1-CD 3.47Å; D47-K104 IonicContact OD1-NZ 3.78Å; D47-K104 PolarHBondContact OD1-NZ 2.85Å; V102-K104 PolarHBondContact O-N 3.28Å; K104-P133 HydrophobicContact CB-CB 4.3Å; K104-P133 HydrophobicContact CB-CG 4.22Å; K104-P133 HydrophobicContact CG-CG 3.96Å; K104-P134 HydrophobicContact CB-CG 4.16Å; K104-P134 WeakPolarHBondContact O-CG 3.45Å
105	V	96.6	Very high	97.6	Very high	12 Å²	12	30.6 Å²	30.6	7%	0.073	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-90.9	128	174.1	-177.3	0	0	0	0	108.9	H48 L49 D96 Y98	H48-V105 WeakPolarHBondContact CB-O 3.42Å; L49-V105 HydrophobicContact CD1-CB 4.29Å; L49-V105 HydrophobicContact CD1-CG2 3.95Å; L49-V105 HydrophobicContact CD2-CG1 4.26Å; L49-V105 HydrophobicContact CG-CB 4.19Å; L49-V105 HydrophobicContact CG-CG1 4.46Å; L49-V105 HydrophobicContact CG-CG2 4.4Å; D96-V105 HydrophobicContact CB-CG1 3.83Å; Y98-V105 HydrophobicContact CD1-CG1 4.29Å; Y98-V105 HydrophobicContact CD1-CG2 3.69Å; Y98-V105 HydrophobicContact CD2-CG1 4.41Å; Y98-V105 HydrophobicContact CE1-CB 4.37Å; Y98-V105 HydrophobicContact CE1-CG1 4.01Å; Y98-V105 HydrophobicContact CE1-CG2 3.37Å; Y98-V105 HydrophobicContact CE2-CG1 4.15Å; Y98-V105 HydrophobicContact CG-CG1 4.48Å
106	G	96.2	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	146.7	175.1	0	0	0	0	0	111.2	D96 F97	D96-G106 CarbonylContact C-O 3.51Å; D96-G106 WeakPolarHBondContact CA-O 3.39Å; F97-G106 PolarHBondContact N-O 2.73Å; F97-G106 PolarHBondContact O-N 2.87Å; F97-G106 VanDerWaalsContact O-N 3.12Å
107	G	96.5	Very high	97.6	Very high	12 Å²	12	32.6 Å²	32.6	12%	0.124	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.4	165.9	0	0	0	0	0	109.3	H48 W310	H48-G107 VanDerWaalsContact CE1-CA 3.42Å; H48-G107 WeakPolarHBondContact CE1-CA 3.29Å; H48-G107 WeakPolarHBondContact NE2-CA 3.42Å; G107-W310 VanDerWaalsContact O-CZ3 3.29Å; G107-W310 WeakPolarHBondContact O-CZ3 3.48Å
108	F	97.8	Very high	97.5	Very high	26 Å²	26	40.5 Å²	40.5	11%	0.114	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.1	-179.2	-56.9	-61.1	0	0	0	111.2	W94 V95 F97 L125 I127 P134 A135	W94-F108 CarbonylContact C-O 3.55Å; W94-F108 VanDerWaalsContact CA-O 3.28Å; W94-F108 WeakPolarHBondContact CA-O 3.45Å; W94-F108 VanDerWaalsContact CB-O 3.32Å; W94-F108 WeakPolarHBondContact CB-O 3.37Å; V95-F108 PolarHBondContact N-O 3.35Å; V95-F108 PolarHBondContact O-N 3.19Å; F97-F108 HydrophobicContact CB-CD2 3.69Å; F97-F108 HydrophobicContact CB-CE2 3.91Å; F97-F108 HydrophobicContact CD1-CD2 4.31Å; F97-F108 AromaticContact CD1-CE2 3.95Å; F97-F108 HydrophobicContact CD1-CE2 3.95Å; F97-F108 AromaticContact CG-CD2 3.97Å; F97-F108 HydrophobicContact CG-CD2 3.97Å; F97-F108 HydrophobicContact CG-CE2 4.06Å; F108-L125 HydrophobicContact CB-CD1 4.19Å; F108-L125 HydrophobicContact CB-CD2 4.18Å; F108-L125 HydrophobicContact CD2-CD1 4.39Å; F108-I127 HydrophobicContact CB-CD1 4.48Å; F108-I127 HydrophobicContact CB-CG1 4.42Å; F108-I127 HydrophobicContact CD1-CB 4.47Å; F108-I127 HydrophobicContact CD1-CD1 4.02Å; F108-I127 HydrophobicContact CD1-CG1 3.75Å; F108-I127 HydrophobicContact CD1-CG2 4.08Å; F108-I127 HydrophobicContact CD2-CD1 3.64Å; F108-I127 HydrophobicContact CD2-CG1 4.27Å; F108-I127 HydrophobicContact CE1-CB 4.37Å; F108-I127 HydrophobicContact CE1-CD1 4.13Å; F108-I127 HydrophobicContact CE1-CG1 4.02Å; F108-I127 HydrophobicContact CE1-CG2 3.52Å; F108-I127 HydrophobicContact CE2-CD1 3.75Å; F108-I127 HydrophobicContact CG-CD1 3.78Å; F108-I127 HydrophobicContact CG-CG1 3.89Å; F108-I127 HydrophobicContact CZ-CD1 4Å; F108-I127 HydrophobicContact CZ-CG1 4.39Å; F108-I127 HydrophobicContact CZ-CG2 3.88Å; F108-P134 HydrophobicContact CE2-CB 4.15Å; F108-P134 HydrophobicContact CZ-CB 3.99Å; F108-A135 HydrophobicContact CE1-CB 4.46Å; F108-A135 HydrophobicContact CZ-CB 4.38Å
109	S	98.4	Very high	97.5	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.5	170.3	-48.4	0	0	0	0	110.9	E308 W310	S109-E308 PolarHBondContact OG-OE2 2.99Å; S109-W310 WeakPolarHBondContact OG-CZ2 3.42Å; S109-W310 PolarHBondContact OG-NE1 3.15Å; S109-W310 VanDerWaalsContact OG-NE1 3.09Å
110	M	98.7	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-69.7	141.9	172.9	-72.1	163.8	-73.8	0	0	110.2	F87 F89 Q93 V95 V123 E124 L125 V152 N179 S183	F87-M110 HydrophobicContact CE1-SD 4.33Å; F87-M110 HydrophobicContact CZ-SD 4.45Å; F89-M110 HydrophobicContact CB-CE 3.66Å; F89-M110 HydrophobicContact CB-SD 4Å; F89-M110 HydrophobicContact CD1-SD 3.95Å; F89-M110 HydrophobicContact CD2-CB 4.44Å; F89-M110 HydrophobicContact CD2-CE 3.39Å; F89-M110 HydrophobicContact CD2-SD 3.47Å; F89-M110 WeakPolarHBondContact CD2-SD 3.23Å; F89-M110 HydrophobicContact CE1-SD 4.3Å; F89-M110 HydrophobicContact CE2-CB 4.1Å; F89-M110 HydrophobicContact CE2-CE 4.2Å; F89-M110 HydrophobicContact CE2-SD 3.86Å; F89-M110 HydrophobicContact CG-CE 3.66Å; F89-M110 HydrophobicContact CG-SD 3.53Å; F89-M110 VanDerWaalsContact CG-SD 3.53Å; F89-M110 HydrophobicContact CZ-SD 4.26Å; Q93-M110 HydrophobicContact CB-CE 3.67Å; Q93-M110 WeakPolarHBondContact O-CE 3.11Å; Q93-M110 PolarHBondContact O-N 2.75Å; V95-M110 HydrophobicContact CG1-CE 3.83Å; V95-M110 HydrophobicContact CG1-CG 4.09Å; V95-M110 HydrophobicContact CG1-SD 3.71Å; M110-V123 HydrophobicContact SD-CB 4.48Å; M110-V123 HydrophobicContact SD-CG1 4.35Å; M110-E124 WeakPolarHBondContact CA-O 3.35Å; M110-L125 HydrophobicContact CB-CD2 4.45Å; M110-L125 HydrophobicContact CG-CD2 3.78Å; M110-V152 HydrophobicContact CE-CG1 4.41Å; M110-N179 CarbonylContact O-C 3.56Å; M110-N179 VanDerWaalsContact O-O 3.07Å; M110-S183 WeakPolarHBondContact O-CB 3.39Å
111	C	98.7	Very high	97.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.			trans	-113.3	14.5	176.1	68.5	0	0	0	0	112.6	E124 N179 Y182 F222	C111-E124 PolarHBondContact N-O 3.27Å; C111-E124 VanDerWaalsContact SG-C 3.55Å; C111-E124 PolarHBondContact SG-O 3.01Å; C111-E124 VanDerWaalsContact SG-O 3.42Å; C111-N179 HydrophobicContact CB-CB 4.07Å; C111-Y182 HydrophobicContact CB-CD1 4.24Å; C111-Y182 WeakPolarHBondContact O-CD1 3.3Å; C111-Y182 WeakPolarHBondContact O-CE1 3.29Å; C111-F222 HydrophobicContact CB-CE2 4.06Å; C111-F222 HydrophobicContact CB-CZ 3.76Å
112	S	98.7	Very high	97.6	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.209	C	C	.	.	S	Bend	trans	-111.4	157.6	173.7	53.2	0	0	0	0	111.3	F89 V123 E124 S183	F89-S112 WeakPolarHBondContact CE2-O 3.47Å; F89-S112 WeakPolarHBondContact CZ-O 3.44Å; S112-V123 WeakPolarHBondContact OG-CA 3.25Å; S112-E124 PolarHBondContact OG-N 2.89Å; S112-S183 WeakPolarHBondContact O-CB 3.16Å; S112-S183 PolarHBondContact O-OG 2.99Å
113	S	98.5	Very high	97.7	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	20%	0.199	C	C	.	.			trans	-82.5	157.8	171.6	68.3	0	0	0	0	112.4	G115 L116 D190	S113-G115 PolarHBondContact O-N 3.2Å; S113-G115 PolarHBondContact OG-N 3.18Å; S113-L116 WeakPolarHBondContact O-CB 3.44Å; S113-L116 PolarHBondContact O-N 3.05Å; S113-L116 VanDerWaalsContact O-N 3.1Å; S113-L116 PolarHBondContact OG-N 3.18Å; S113-D190 WeakPolarHBondContact CB-OD2 3.32Å; S113-D190 PolarHBondContact OG-OD2 3.28Å
114	P	98.4	Very high	98	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-26.2	167.8	-25.9	35.3	0	0	0	113.4	F89 A91 L117 Q118	F89-P114 HydrophobicContact CE2-CG 4.18Å; F89-P114 HydrophobicContact CZ-CG 4.16Å; A91-P114 HydrophobicContact CB-CG 4.26Å; P114-L117 WeakPolarHBondContact O-CB 3.35Å; P114-L117 PolarHBondContact O-N 3.13Å; P114-Q118 WeakPolarHBondContact O-CG 3.44Å; P114-Q118 PolarHBondContact O-N 2.93Å
115	G	97.7	Very high	98.1	Very high	9 Å²	9	28.3 Å²	28.3	9%	0.093	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-36.7	174.5	0	0	0	0	0	113.1	S113 Q118 R119	S113-G115 PolarHBondContact O-N 3.2Å; S113-G115 PolarHBondContact OG-N 3.18Å; G115-Q118 PolarHBondContact O-N 3.45Å; G115-R119 WeakPolarHBondContact O-CG 3.46Å; G115-R119 PolarHBondContact O-N 2.83Å; G115-R119 VanDerWaalsContact O-N 3.12Å; G115-R119 PolarHBondContact O-NH1 2.91Å
116	L	98.4	Very high	98.2	Very high	20 Å²	20	27.8 Å²	27.8	11%	0.105	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-45.5	173.8	-176.3	69.9	0	0	0	111.1	S113 Q118 R119 E120 V122 E124	S113-L116 WeakPolarHBondContact O-CB 3.44Å; S113-L116 PolarHBondContact O-N 3.05Å; S113-L116 VanDerWaalsContact O-N 3.1Å; S113-L116 PolarHBondContact OG-N 3.18Å; L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 PolarHBondContact O-N 2.85Å; L116-R119 PolarHBondContact O-N 3.02Å; L116-E120 HydrophobicContact CD1-CB 4.44Å; L116-E120 VanDerWaalsContact CD1-CD 3.45Å; L116-E120 HydrophobicContact CD1-CG 4.33Å; L116-E120 WeakPolarHBondContact CD1-OE1 3.32Å; L116-E120 WeakPolarHBondContact O-CB 3.5Å; L116-E120 PolarHBondContact O-N 2.91Å; L116-V122 HydrophobicContact CD1-CG2 4.44Å; L116-V122 HydrophobicContact CD2-CG2 3.96Å; L116-V122 HydrophobicContact CG-CG2 3.93Å; L116-E124 HydrophobicContact CD2-CG 4.03Å
117	L	98.6	Very high	98.3	Very high	21 Å²	21	28 Å²	28	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-45.7	177.4	170.7	62.8	0	0	0	111.7	V83 F87 F89 P114 R119 G121 V122 V123	V83-L117 HydrophobicContact CG2-CD1 3.41Å; V83-L117 VanDerWaalsContact CG2-CD1 3.41Å; F87-L117 HydrophobicContact CD1-CD1 4.44Å; F87-L117 HydrophobicContact CD1-CD2 3.92Å; F87-L117 WeakPolarHBondContact O-CD2 3.16Å; F89-L117 HydrophobicContact CD1-CD2 3.57Å; F89-L117 HydrophobicContact CE1-CB 3.94Å; F89-L117 HydrophobicContact CE1-CD2 3.68Å; F89-L117 HydrophobicContact CE1-CG 4.47Å; P114-L117 WeakPolarHBondContact O-CB 3.35Å; P114-L117 PolarHBondContact O-N 3.13Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.37Å; L117-G121 VanDerWaalsContact O-CA 3.29Å; L117-G121 WeakPolarHBondContact O-CA 3.33Å; L117-G121 PolarHBondContact O-N 3.36Å; L117-V122 WeakPolarHBondContact CA-O 3.39Å; L117-V123 HydrophobicContact CB-CG1 4.48Å; L117-V123 HydrophobicContact CD1-CG1 4.3Å
118	Q	97.6	Very high	98.4	Very high	166 Å²	166	31.4 Å²	31.4	78%	0.776	15%	0.154	S	C	*	.	H	α-helix	trans	-62.8	-38.7	178.5	-71.3	172.1	34.2	0	0	112.9	P114 G115 L116	P114-Q118 WeakPolarHBondContact O-CG 3.44Å; P114-Q118 PolarHBondContact O-N 2.93Å; G115-Q118 PolarHBondContact O-N 3.45Å; L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 PolarHBondContact O-N 2.85Å
119	R	97.7	Very high	98.4	Very high	152 Å²	152	35.1 Å²	35.1	57%	0.574	17%	0.168	S	C	*	.	H	α-helix	trans	-79.3	-35.8	-177	-68.4	-173.6	-55.6	-99.9	3	113.2	G115 L116 L117 D190	G115-R119 WeakPolarHBondContact O-CG 3.46Å; G115-R119 PolarHBondContact O-N 2.83Å; G115-R119 VanDerWaalsContact O-N 3.12Å; G115-R119 PolarHBondContact O-NH1 2.91Å; L116-R119 PolarHBondContact O-N 3.02Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.37Å; R119-D190 IonicContact NH1-OD1 3.67Å; R119-D190 PolarHBondContact NH1-OD1 3.22Å
120	E	98.4	Very high	98.2	Very high	92 Å²	92	36.8 Å²	36.8	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-128.5	-6.2	-163.2	-66.5	173.3	-138.6	0	0	113.6	R80 L116 V122	R80-E120 IonicContact CZ-OE2 3.83Å; R80-E120 IonicContact NH1-OE2 3.54Å; R80-E120 PolarHBondContact NH1-OE2 3.07Å; R80-E120 IonicContact NH2-OE2 3.15Å; R80-E120 PolarHBondContact NH2-OE2 2.65Å; L116-E120 HydrophobicContact CD1-CB 4.44Å; L116-E120 VanDerWaalsContact CD1-CD 3.45Å; L116-E120 HydrophobicContact CD1-CG 4.33Å; L116-E120 WeakPolarHBondContact CD1-OE1 3.32Å; L116-E120 WeakPolarHBondContact O-CB 3.5Å; L116-E120 PolarHBondContact O-N 2.91Å; E120-V122 HydrophobicContact CB-CG2 3.85Å; E120-V122 PolarHBondContact O-N 3.31Å
121	G	98.6	Very high	98.1	Very high	33 Å²	33	45.6 Å²	45.6	34%	0.34	22%	0.22	S	C	.	.	S	Bend	trans	66.5	24.5	-179.4	0	0	0	0	0	113.5	V83 L117	V83-G121 PolarHBondContact N-O 2.99Å; V83-G121 VanDerWaalsContact N-O 3.13Å; L117-G121 VanDerWaalsContact O-CA 3.29Å; L117-G121 WeakPolarHBondContact O-CA 3.33Å; L117-G121 PolarHBondContact O-N 3.36Å
122	V	98.8	Very high	97.9	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.7	-176.9	-59.7	0	0	0	0	112.8	R80 I81 A82 L116 L117 E120	R80-V122 HydrophobicContact CG-CB 4.22Å; R80-V122 HydrophobicContact CG-CG1 4.4Å; R80-V122 HydrophobicContact CG-CG2 4.25Å; I81-V122 CarbonylContact O-C 3.55Å; I81-V122 WeakPolarHBondContact O-CA 3.36Å; I81-V122 WeakPolarHBondContact O-CB 3.37Å; A82-V122 HydrophobicContact CB-CG1 4.42Å; L116-V122 HydrophobicContact CD1-CG2 4.44Å; L116-V122 HydrophobicContact CD2-CG2 3.96Å; L116-V122 HydrophobicContact CG-CG2 3.93Å; L117-V122 WeakPolarHBondContact CA-O 3.39Å; E120-V122 HydrophobicContact CB-CG2 3.85Å; E120-V122 PolarHBondContact O-N 3.31Å
123	V	98.8	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.5	165.2	-59.1	0	0	0	0	110.4	I81 V83 F87 F89 M110 S112 L117 M150	I81-V123 HydrophobicContact CB-CG2 4.24Å; I81-V123 PolarHBondContact N-O 3.33Å; I81-V123 PolarHBondContact O-N 3.46Å; V83-V123 HydrophobicContact CG1-CG2 3.84Å; F87-V123 HydrophobicContact CD1-CG1 4.28Å; F87-V123 HydrophobicContact CE1-CG1 3.83Å; F89-V123 HydrophobicContact CD1-CG1 4.14Å; F89-V123 HydrophobicContact CE1-CG1 3.72Å; F89-V123 HydrophobicContact CZ-CG1 4.42Å; M110-V123 HydrophobicContact SD-CB 4.48Å; M110-V123 HydrophobicContact SD-CG1 4.35Å; S112-V123 WeakPolarHBondContact OG-CA 3.25Å; L117-V123 HydrophobicContact CB-CG1 4.48Å; L117-V123 HydrophobicContact CD1-CG1 4.3Å; V123-M150 HydrophobicContact CG2-CE 3.72Å
124	E	98.9	Very high	97.8	Very high	20 Å²	20	51 Å²	51	9%	0.093	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.6	178.8	-58.5	-171	156.8	0	0	112.4	R78 L79 R80 M110 C111 S112 L116	R78-E124 HydrophobicContact CG-CB 4.48Å; R78-E124 IonicContact CZ-OE2 2.84Å; R78-E124 VanDerWaalsContact NH1-CD 3.28Å; R78-E124 IonicContact NH1-OE1 3.96Å; R78-E124 PolarHBondContact NH1-OE1 3.32Å; R78-E124 IonicContact NH1-OE2 3.15Å; R78-E124 PolarHBondContact NH1-OE2 3.34Å; L79-E124 CarbonylContact O-C 3.59Å; L79-E124 WeakPolarHBondContact O-CA 3.46Å; R80-E124 HydrophobicContact CB-CG 4.45Å; R80-E124 HydrophobicContact CG-CG 4.31Å; M110-E124 WeakPolarHBondContact CA-O 3.35Å; C111-E124 PolarHBondContact N-O 3.27Å; C111-E124 VanDerWaalsContact SG-C 3.55Å; C111-E124 PolarHBondContact SG-O 3.01Å; C111-E124 VanDerWaalsContact SG-O 3.42Å; S112-E124 PolarHBondContact OG-N 2.89Å; L116-E124 HydrophobicContact CD2-CG 4.03Å
125	L	98.9	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.5	176	-55.9	178.9	0	0	0	109.5	R78 L79 I81 V95 F97 F108 M110 I127	R78-L125 CarbonylContact C-O 3.57Å; R78-L125 VanDerWaalsContact CA-O 3.31Å; R78-L125 WeakPolarHBondContact CA-O 3.29Å; L79-L125 PolarHBondContact N-O 2.9Å; L79-L125 PolarHBondContact O-N 2.84Å; I81-L125 HydrophobicContact CD1-CD1 3.52Å; I81-L125 HydrophobicContact CD1-CG 3.8Å; V95-L125 HydrophobicContact CG2-CD1 3.87Å; V95-L125 HydrophobicContact CG2-CD2 3.86Å; F97-L125 HydrophobicContact CD2-CD1 3.8Å; F97-L125 HydrophobicContact CE2-CD1 3.89Å; F108-L125 HydrophobicContact CB-CD1 4.19Å; F108-L125 HydrophobicContact CB-CD2 4.18Å; F108-L125 HydrophobicContact CD2-CD1 4.39Å; M110-L125 HydrophobicContact CB-CD2 4.45Å; M110-L125 HydrophobicContact CG-CD2 3.78Å; L125-I127 HydrophobicContact CB-CD1 3.97Å; L125-I127 HydrophobicContact CB-CG1 4.08Å; L125-I127 HydrophobicContact CD1-CD1 4.28Å
126	A	98.6	Very high	97.7	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.1	172.6	0	0	0	0	0	111	V76 K77 R78 N179 F222	V76-A126 HydrophobicContact CG1-CB 3.91Å; K77-A126 CarbonylContact O-C 3.56Å; K77-A126 WeakPolarHBondContact O-CA 3.47Å; R78-A126 HydrophobicContact CB-CB 4.4Å; A126-N179 PolarHBondContact O-ND2 3.36Å; A126-F222 HydrophobicContact CB-CE1 4.32Å; A126-F222 HydrophobicContact CB-CZ 3.6Å
127	I	98.5	Very high	97.8	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.9	-165.3	-60.9	171.6	0	0	0	109	V76 K77 L79 F108 L125 A135 V138 H139	V76-I127 WeakPolarHBondContact CA-O 3.32Å; K77-I127 PolarHBondContact N-O 3.33Å; K77-I127 PolarHBondContact O-N 3.1Å; L79-I127 HydrophobicContact CD1-CD1 4.02Å; F108-I127 HydrophobicContact CB-CD1 4.48Å; F108-I127 HydrophobicContact CB-CG1 4.42Å; F108-I127 HydrophobicContact CD1-CB 4.47Å; F108-I127 HydrophobicContact CD1-CD1 4.02Å; F108-I127 HydrophobicContact CD1-CG1 3.75Å; F108-I127 HydrophobicContact CD1-CG2 4.08Å; F108-I127 HydrophobicContact CD2-CD1 3.64Å; F108-I127 HydrophobicContact CD2-CG1 4.27Å; F108-I127 HydrophobicContact CE1-CB 4.37Å; F108-I127 HydrophobicContact CE1-CD1 4.13Å; F108-I127 HydrophobicContact CE1-CG1 4.02Å; F108-I127 HydrophobicContact CE1-CG2 3.52Å; F108-I127 HydrophobicContact CE2-CD1 3.75Å; F108-I127 HydrophobicContact CG-CD1 3.78Å; F108-I127 HydrophobicContact CG-CG1 3.89Å; F108-I127 HydrophobicContact CZ-CD1 4Å; F108-I127 HydrophobicContact CZ-CG1 4.39Å; F108-I127 HydrophobicContact CZ-CG2 3.88Å; L125-I127 HydrophobicContact CB-CD1 3.97Å; L125-I127 HydrophobicContact CB-CG1 4.08Å; L125-I127 HydrophobicContact CD1-CD1 4.28Å; I127-A135 HydrophobicContact CG2-CB 4.04Å; I127-V138 HydrophobicContact CB-CG1 4.13Å; I127-V138 HydrophobicContact CD1-CB 4.46Å; I127-V138 HydrophobicContact CD1-CG1 4.13Å; I127-V138 HydrophobicContact CD1-CG2 3.81Å; I127-V138 HydrophobicContact CG2-CB 4.4Å; I127-V138 HydrophobicContact CG2-CG1 4.27Å; I127-H139 PolarHBondContact O-NE2 3.15Å
128	K	97.5	Very high	97.8	Very high	83 Å²	83	53.1 Å²	53.1	36%	0.361	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.1	173.3	-172.3	159.5	-173	135.5	0	111.1	T75 V76 A130 V176 E219	T75-K128 CarbonylContact O-C 3.27Å; T75-K128 VanDerWaalsContact O-CA 3.28Å; T75-K128 WeakPolarHBondContact O-CA 3.5Å; T75-K128 WeakPolarHBondContact OG1-CE 3.46Å; T75-K128 PolarHBondContact OG1-NZ 3.24Å; T75-K128 VanDerWaalsContact OG1-NZ 3.15Å; V76-K128 HydrophobicContact CG2-CB 4.04Å; V76-K128 HydrophobicContact CG2-CG 4.24Å; K128-A130 PolarHBondContact O-N 2.96Å; K128-V176 HydrophobicContact CB-CG1 3.68Å; K128-V176 HydrophobicContact CD-CG1 4.11Å; K128-V176 HydrophobicContact CG-CG1 4.49Å; K128-E219 IonicContact NZ-OE2 2.76Å; K128-E219 PolarHBondContact NZ-OE2 3.01Å
129	Y	97.6	Very high	97.8	Very high	105 Å²	105	46.5 Å²	46.5	41%	0.412	22%	0.224	S	C	.	.			trans	-57.9	129.7	173	177.3	-96.4	0	0	0	110.5	T75 H136 H139	T75-Y129 PolarHBondContact O-N 3.31Å; Y129-H136 AromaticContact CE2-ND1 3.7Å; Y129-H139 HydrophobicContact CD2-CB 3.65Å; Y129-H139 AromaticContact CD2-CG 3.73Å; Y129-H139 AromaticContact CD2-ND1 3.98Å; Y129-H139 HydrophobicContact CE2-CB 4.26Å; Y129-H139 PolarHBondContact N-NE2 3.4Å
130	A	95.8	Very high	97.8	Very high	39 Å²	39	43.1 Å²	43.1	32%	0.322	22%	0.22	S	C	.	.			trans	-148.5	161.8	169.3	0	0	0	0	0	109.5	K128 H132 A135 H136	K128-A130 PolarHBondContact O-N 2.96Å; A130-H132 HydrophobicContact CB-CB 4.4Å; A130-H132 PolarHBondContact O-N 2.92Å; A130-A135 HydrophobicContact CB-CB 4.01Å; A130-H136 WeakPolarHBondContact O-CA 3.33Å; A130-H136 WeakPolarHBondContact O-CB 3.44Å; A130-H136 PolarHBondContact O-N 2.83Å
131	K	95.6	Very high	97.8	Very high	186 Å²	186	42.8 Å²	42.8	81%	0.809	22%	0.224	S	C	*	.	S	Bend	trans	-74	-10.1	172	-65.9	-174.6	178.2	-177.6	0	113
132	H	94.3	Very high	97.8	Very high	61 Å²	61	41.7 Å²	41.7	28%	0.282	21%	0.211	S	C	.	.	S	Bend	trans	-61.5	129.8	175	-178	58.6	0	0	0	109.5	A130 P134 A135 H136	A130-H132 HydrophobicContact CB-CB 4.4Å; A130-H132 PolarHBondContact O-N 2.92Å; H132-P134 VanDerWaalsContact CD2-CD 3.47Å; H132-P134 WeakPolarHBondContact CD2-CD 3.42Å; H132-P134 WeakPolarHBondContact NE2-CD 3.31Å; H132-A135 PolarHBondContact O-N 3.28Å; H132-A135 VanDerWaalsContact O-N 3.11Å; H132-H136 PolarHBondContact O-N 2.81Å
133	P	97.1	Very high	97.8	Very high	57 Å²	57	45.5 Å²	45.5	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-54.7	-43	-161.9	-26.7	33.9	0	0	0	116.1	V102 K104 H136 W137	V102-P133 HydrophobicContact CG1-CB 3.74Å; K104-P133 HydrophobicContact CB-CB 4.3Å; K104-P133 HydrophobicContact CB-CG 4.22Å; K104-P133 HydrophobicContact CG-CG 3.96Å; P133-H136 PolarHBondContact O-N 2.84Å; P133-W137 VanDerWaalsContact O-CB 3.31Å; P133-W137 WeakPolarHBondContact O-CB 3.39Å; P133-W137 PolarHBondContact O-N 3.19Å
134	P	97.4	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-47.6	176.5	-25.7	36.7	0	0	0	113.5	I99 K104 F108 H132 H136 W137 V138	I99-P134 HydrophobicContact CD1-CB 3.9Å; K104-P134 HydrophobicContact CB-CG 4.16Å; K104-P134 WeakPolarHBondContact O-CG 3.45Å; F108-P134 HydrophobicContact CE2-CB 4.15Å; F108-P134 HydrophobicContact CZ-CB 3.99Å; H132-P134 VanDerWaalsContact CD2-CD 3.47Å; H132-P134 WeakPolarHBondContact CD2-CD 3.42Å; H132-P134 WeakPolarHBondContact NE2-CD 3.31Å; P134-H136 VanDerWaalsContact C-N 3.34Å; P134-H136 PolarHBondContact O-N 3.47Å; P134-W137 PolarHBondContact O-N 2.89Å; P134-V138 WeakPolarHBondContact O-CG2 3.31Å; P134-V138 PolarHBondContact O-N 2.94Å
135	A	97.6	Very high	97.8	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-38.8	177.9	0	0	0	0	0	111.3	F108 I127 A130 H132 V138 H139	F108-A135 HydrophobicContact CE1-CB 4.46Å; F108-A135 HydrophobicContact CZ-CB 4.38Å; I127-A135 HydrophobicContact CG2-CB 4.04Å; A130-A135 HydrophobicContact CB-CB 4.01Å; H132-A135 PolarHBondContact O-N 3.28Å; H132-A135 VanDerWaalsContact O-N 3.11Å; A135-V138 PolarHBondContact O-N 3.45Å; A135-H139 PolarHBondContact O-CD2 2.92Å; A135-H139 PolarHBondContact O-N 2.59Å
136	H	98.1	Very high	97.8	Very high	71 Å²	71	51.5 Å²	51.5	33%	0.329	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-48.2	175.1	-170.6	67.8	0	0	0	111.2	Y129 A130 H132 P133 P134 V138 H139 T140	Y129-H136 AromaticContact CE2-ND1 3.7Å; A130-H136 WeakPolarHBondContact O-CA 3.33Å; A130-H136 WeakPolarHBondContact O-CB 3.44Å; A130-H136 PolarHBondContact O-N 2.83Å; H132-H136 PolarHBondContact O-N 2.81Å; P133-H136 PolarHBondContact O-N 2.84Å; P134-H136 VanDerWaalsContact C-N 3.34Å; P134-H136 PolarHBondContact O-N 3.47Å; H136-V138 VanDerWaalsContact C-N 3.32Å; H136-V138 PolarHBondContact O-N 3.01Å; H136-H139 CarbonylContact O-C 3.59Å; H136-H139 WeakPolarHBondContact O-CA 3.25Å; H136-H139 PolarHBondContact O-N 2.99Å; H136-T140 VanDerWaalsContact CE1-CG2 3.44Å; H136-T140 WeakPolarHBondContact CE1-CG2 3.45Å; H136-T140 PolarHBondContact NE2-OG1 3.49Å; H136-T140 PolarHBondContact O-N 3.46Å; H136-T140 PolarHBondContact O-OG1 3.49Å
137	W	98.6	Very high	97.8	Very high	32 Å²	32	60.6 Å²	60.6	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-43	177.9	178.6	94.1	0	0	0	112.1	F97 I99 V102 P133 P134 H139 T140 V141 C142 V148	F97-W137 HydrophobicContact CE1-CE3 4.46Å; F97-W137 HydrophobicContact CE1-CZ3 4.09Å; F97-W137 HydrophobicContact CZ-CZ3 4.47Å; I99-W137 HydrophobicContact CD1-CB 4.19Å; I99-W137 HydrophobicContact CD1-CD2 3.88Å; I99-W137 HydrophobicContact CD1-CE3 3.57Å; I99-W137 HydrophobicContact CD1-CG 4.14Å; I99-W137 HydrophobicContact CD1-CZ3 4.26Å; I99-W137 HydrophobicContact CG1-CD2 4.29Å; I99-W137 HydrophobicContact CG1-CE3 3.97Å; I99-W137 HydrophobicContact CG1-CZ3 4.21Å; I99-W137 HydrophobicContact CG2-CD2 3.62Å; I99-W137 VanDerWaalsContact CG2-CE2 3.46Å; I99-W137 HydrophobicContact CG2-CE3 4.08Å; I99-W137 HydrophobicContact CG2-CG 3.99Å; I99-W137 HydrophobicContact CG2-CH2 4.29Å; I99-W137 HydrophobicContact CG2-CZ2 3.85Å; I99-W137 HydrophobicContact CG2-CZ3 4.39Å; V102-W137 HydrophobicContact CG2-CG 4.32Å; P133-W137 VanDerWaalsContact O-CB 3.31Å; P133-W137 WeakPolarHBondContact O-CB 3.39Å; P133-W137 PolarHBondContact O-N 3.19Å; P134-W137 PolarHBondContact O-N 2.89Å; W137-H139 PolarHBondContact O-N 3.22Å; W137-T140 PolarHBondContact O-N 3.15Å; W137-V141 HydrophobicContact CG-CB 4.13Å; W137-V141 PolarHBondContact O-N 3.43Å; W137-C142 HydrophobicContact CD2-CB 4.29Å; W137-C142 HydrophobicContact CE3-CB 3.76Å; W137-C142 HydrophobicContact CH2-CB 3.66Å; W137-C142 HydrophobicContact CZ2-CB 4.19Å; W137-C142 HydrophobicContact CZ3-CB 3.43Å; W137-C142 VanDerWaalsContact CZ3-CB 3.43Å; W137-C142 VanDerWaalsContact CZ3-SG 3.52Å; W137-C142 PolarHBondContact O-N 2.95Å; W137-V148 HydrophobicContact CH2-CG1 4.13Å; W137-V148 HydrophobicContact CZ3-CG1 4.36Å
138	V	98.6	Very high	97.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.7	-36.1	174.7	167.8	0	0	0	0	111.8	K77 L79 F97 I127 P134 A135 H136 C142	K77-V138 HydrophobicContact CB-CG1 4.38Å; L79-V138 HydrophobicContact CD1-CG1 3.93Å; L79-V138 HydrophobicContact CD1-CG2 3.96Å; L79-V138 HydrophobicContact CD2-CG1 4.11Å; L79-V138 HydrophobicContact CG-CG1 4.16Å; F97-V138 HydrophobicContact CE1-CG2 4.31Å; I127-V138 HydrophobicContact CB-CG1 4.13Å; I127-V138 HydrophobicContact CD1-CB 4.46Å; I127-V138 HydrophobicContact CD1-CG1 4.13Å; I127-V138 HydrophobicContact CD1-CG2 3.81Å; I127-V138 HydrophobicContact CG2-CB 4.4Å; I127-V138 HydrophobicContact CG2-CG1 4.27Å; P134-V138 WeakPolarHBondContact O-CG2 3.31Å; P134-V138 PolarHBondContact O-N 2.94Å; A135-V138 PolarHBondContact O-N 3.45Å; H136-V138 VanDerWaalsContact C-N 3.32Å; H136-V138 PolarHBondContact O-N 3.01Å; V138-C142 WeakPolarHBondContact O-CB 3.11Å
139	H	98.6	Very high	97.8	Very high	28 Å²	28	57.9 Å²	57.9	13%	0.13	31%	0.306	C	S	.	.	H	α-helix	trans	-86.9	-28	-177	-81.3	-100.4	0	0	0	114.3	K77 I127 Y129 A135 H136 W137	K77-H139 PolarHBondContact NZ-O 2.78Å; I127-H139 PolarHBondContact O-NE2 3.15Å; Y129-H139 HydrophobicContact CD2-CB 3.65Å; Y129-H139 AromaticContact CD2-CG 3.73Å; Y129-H139 AromaticContact CD2-ND1 3.98Å; Y129-H139 HydrophobicContact CE2-CB 4.26Å; Y129-H139 PolarHBondContact N-NE2 3.4Å; A135-H139 PolarHBondContact O-CD2 2.92Å; A135-H139 PolarHBondContact O-N 2.59Å; H136-H139 CarbonylContact O-C 3.59Å; H136-H139 WeakPolarHBondContact O-CA 3.25Å; H136-H139 PolarHBondContact O-N 2.99Å; W137-H139 PolarHBondContact O-N 3.22Å
140	T	98	Very high	97.9	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-115.4	-24.7	-170.8	58.8	0	0	0	0	115.4	H136 W137	H136-T140 VanDerWaalsContact CE1-CG2 3.44Å; H136-T140 WeakPolarHBondContact CE1-CG2 3.45Å; H136-T140 PolarHBondContact NE2-OG1 3.49Å; H136-T140 PolarHBondContact O-N 3.46Å; H136-T140 PolarHBondContact O-OG1 3.49Å; W137-T140 PolarHBondContact O-N 3.15Å
141	V	98.3	Very high	98	Very high	86 Å²	86	53.5 Å²	53.5	52%	0.521	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-34.3	-172.5	-177	0	0	0	0	112.3	W137 T143	W137-V141 HydrophobicContact CG-CB 4.13Å; W137-V141 PolarHBondContact O-N 3.43Å; V141-T143 PolarHBondContact O-N 2.74Å
142	C	98.6	Very high	98.2	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.068	24%	0.242	C	C	.	.			trans	-60.1	129.3	-176.5	-175.4	0	0	0	0	112.5	W137 V138	W137-C142 HydrophobicContact CD2-CB 4.29Å; W137-C142 HydrophobicContact CE3-CB 3.76Å; W137-C142 HydrophobicContact CH2-CB 3.66Å; W137-C142 HydrophobicContact CZ2-CB 4.19Å; W137-C142 HydrophobicContact CZ3-CB 3.43Å; W137-C142 VanDerWaalsContact CZ3-CB 3.43Å; W137-C142 VanDerWaalsContact CZ3-SG 3.52Å; W137-C142 PolarHBondContact O-N 2.95Å; V138-C142 WeakPolarHBondContact O-CB 3.11Å
143	T	98.6	Very high	98.3	Very high	86 Å²	86	41.8 Å²	41.8	53%	0.528	23%	0.229	S	C	.	.			trans	-129.9	161.7	174.1	57.1	0	0	0	0	110.7	V141 G145 S146	V141-T143 PolarHBondContact O-N 2.74Å; T143-G145 PolarHBondContact O-N 3.15Å; T143-S146 PolarHBondContact N-OG 3.18Å; T143-S146 WeakPolarHBondContact O-CB 3.29Å; T143-S146 PolarHBondContact O-N 3.19Å; T143-S146 PolarHBondContact O-OG 3.01Å; T143-S146 PolarHBondContact OG1-OG 3.36Å
144	V	98.8	Very high	98.3	Very high	94 Å²	94	39 Å²	39	57%	0.57	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	134	168.2	175.3	0	0	0	0	109.1	I69	I69-V144 HydrophobicContact CG1-CG2 4.17Å
145	G	98.6	Very high	98.2	Very high	33 Å²	33	42.8 Å²	42.8	34%	0.34	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-12.4	-172.3	0	0	0	0	0	114.3	Q65 V66 T143 R147	Q65-G145 PolarHBondContact NE2-O 2.79Å; V66-G145 PolarHBondContact O-N 3.35Å; T143-G145 PolarHBondContact O-N 3.15Å; G145-R147 PolarHBondContact O-N 2.83Å
146	S	98.8	Very high	98.2	Very high	19 Å²	19	43 Å²	43	13%	0.133	23%	0.231	C	C	.	.			trans	-58.9	132	177.5	-63.9	0	0	0	0	111.4	Q65 V66 T143	Q65-S146 WeakPolarHBondContact CA-O 3.32Å; V66-S146 PolarHBondContact N-O 3.02Å; T143-S146 PolarHBondContact N-OG 3.18Å; T143-S146 WeakPolarHBondContact O-CB 3.29Å; T143-S146 PolarHBondContact O-N 3.19Å; T143-S146 PolarHBondContact O-OG 3.01Å; T143-S146 PolarHBondContact OG1-OG 3.36Å
147	R	98.6	Very high	98.2	Very high	193 Å²	193	43.2 Å²	43.2	73%	0.728	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.1	-179.3	-64.9	-178.6	176.2	-129.4	-1	110.5	P100 G145	P100-R147 VanDerWaalsContact CD-O 3.27Å; P100-R147 WeakPolarHBondContact CD-O 3.05Å; G145-R147 PolarHBondContact O-N 2.83Å
148	V	98.7	Very high	98.2	Very high	8 Å²	8	42 Å²	42	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	171.7	178.6	-63	0	0	0	0	109.1	A64 F97 Y98 I99 W137 M150	A64-V148 HydrophobicContact CB-CG2 3.99Å; A64-V148 PolarHBondContact N-O 3.14Å; A64-V148 PolarHBondContact O-N 3.36Å; F97-V148 HydrophobicContact CE1-CB 4.48Å; F97-V148 HydrophobicContact CE1-CG1 3.89Å; F97-V148 HydrophobicContact CE2-CB 4.16Å; F97-V148 HydrophobicContact CE2-CG1 4.25Å; F97-V148 HydrophobicContact CE2-CG2 3.7Å; F97-V148 HydrophobicContact CZ-CB 4.01Å; F97-V148 HydrophobicContact CZ-CG1 3.6Å; F97-V148 HydrophobicContact CZ-CG2 3.88Å; Y98-V148 WeakPolarHBondContact O-CA 3.31Å; Y98-V148 WeakPolarHBondContact O-CB 3.42Å; I99-V148 HydrophobicContact CG1-CG1 4.27Å; W137-V148 HydrophobicContact CH2-CG1 4.13Å; W137-V148 HydrophobicContact CZ3-CG1 4.36Å; V148-M150 HydrophobicContact CG2-CG 4.4Å; V148-M150 HydrophobicContact CG2-SD 4.43Å
149	A	98.6	Very high	98	Very high	22 Å²	22	45.5 Å²	45.5	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.9	166.1	0	0	0	0	0	109.9	L61 Y62 Y98	L61-A149 HydrophobicContact CD1-CB 3.82Å; L61-A149 HydrophobicContact CD2-CB 4.24Å; L61-A149 HydrophobicContact CG-CB 3.95Å; Y62-A149 CarbonylContact O-C 3.56Å; Y62-A149 VanDerWaalsContact O-CA 3.24Å; Y62-A149 WeakPolarHBondContact O-CA 3.46Å; Y98-A149 WeakPolarHBondContact CB-O 3.48Å; Y98-A149 PolarHBondContact N-O 2.88Å; Y98-A149 PolarHBondContact O-N 2.94Å
150	M	98.6	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.6	-172	-69.5	174.1	54.5	0	0	110.6	Y62 A64 I81 V83 F87 V95 D96 F97 V123 V148	Y62-M150 PolarHBondContact N-O 2.95Å; Y62-M150 PolarHBondContact O-N 3.48Å; A64-M150 HydrophobicContact CB-CG 4.23Å; A64-M150 HydrophobicContact CB-SD 3.81Å; I81-M150 HydrophobicContact CD1-SD 4.03Å; I81-M150 HydrophobicContact CG2-SD 3.79Å; V83-M150 HydrophobicContact CG1-SD 4.49Å; F87-M150 HydrophobicContact CE2-CB 3.99Å; F87-M150 HydrophobicContact CE2-CE 4.21Å; F87-M150 HydrophobicContact CZ-CE 4.02Å; V95-M150 HydrophobicContact CB-CE 3.81Å; V95-M150 HydrophobicContact CG1-CE 3.57Å; V95-M150 HydrophobicContact CG2-CE 3.65Å; D96-M150 WeakPolarHBondContact O-CA 3.09Å; F97-M150 HydrophobicContact CD2-CG 3.94Å; F97-M150 HydrophobicContact CD2-SD 4.19Å; F97-M150 HydrophobicContact CE2-CG 4.33Å; F97-M150 HydrophobicContact CE2-SD 4.16Å; V123-M150 HydrophobicContact CG2-CE 3.72Å; V148-M150 HydrophobicContact CG2-CG 4.4Å; V148-M150 HydrophobicContact CG2-SD 4.43Å
151	R	98.5	Very high	97.4	Very high	53 Å²	53	48 Å²	48	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.1	171.3	173.3	174.3	66.4	-160.9	13.2	109.2	Q58 A60 L61 V95 D96 Y98	Q58-R151 WeakPolarHBondContact O-CD 3.25Å; Q58-R151 VanDerWaalsContact O-CG 3.29Å; Q58-R151 WeakPolarHBondContact O-CG 3.35Å; A60-R151 WeakPolarHBondContact O-CG 3.45Å; L61-R151 HydrophobicContact CD1-CB 3.97Å; V95-R151 CarbonylContact C-O 3.55Å; V95-R151 VanDerWaalsContact CA-O 3.32Å; V95-R151 WeakPolarHBondContact CA-O 3.43Å; D96-R151 HydrophobicContact CB-CB 4.24Å; D96-R151 PolarHBondContact N-O 3.18Å; D96-R151 PolarHBondContact O-N 2.88Å; D96-R151 VanDerWaalsContact O-N 3.12Å; D96-R151 IonicContact OD2-CZ 2.59Å; D96-R151 VanDerWaalsContact OD2-CZ 3.24Å; D96-R151 IonicContact OD2-NE 2.73Å; D96-R151 PolarHBondContact OD2-NE 2.84Å; D96-R151 IonicContact OD2-NH2 2.99Å; D96-R151 PolarHBondContact OD2-NH2 2.94Å; Y98-R151 HydrophobicContact CE2-CB 4.35Å; Y98-R151 PolarHBondContact OH-NH1 3.49Å; Y98-R151 PolarHBondContact OH-NH2 3.11Å
152	V	98.6	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.3	-178.4	178.7	0	0	0	0	110.2	R57 Q58 F87 F89 Q93 V95 M110	R57-V152 WeakPolarHBondContact CA-O 3.07Å; Q58-V152 HydrophobicContact CG-CB 4.16Å; Q58-V152 PolarHBondContact N-O 3.48Å; F87-V152 HydrophobicContact CD2-CG2 4.5Å; F87-V152 HydrophobicContact CE1-CG2 3.73Å; F87-V152 HydrophobicContact CE2-CG2 3.7Å; F87-V152 HydrophobicContact CZ-CG2 3.25Å; F89-V152 HydrophobicContact CB-CG1 3.9Å; F89-V152 HydrophobicContact CB-CG2 4.19Å; Q93-V152 HydrophobicContact CB-CG1 4.2Å; V95-V152 HydrophobicContact CG1-CG2 4.32Å; M110-V152 HydrophobicContact CE-CG1 4.41Å
153	G	97.8	Very high	96.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	178.6	172	0	0	0	0	0	112.9	Y56 Q93 W94	Y56-G153 CarbonylContact O-C 3.58Å; Y56-G153 WeakPolarHBondContact O-CA 3.35Å; Q93-G153 WeakPolarHBondContact CB-O 3.37Å; W94-G153 VanDerWaalsContact CE2-C 3.46Å; W94-G153 PolarHBondContact N-O 3.12Å; W94-G153 PolarHBondContact O-N 2.89Å; W94-G153 VanDerWaalsContact O-O 3.08Å
154	G	96.3	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.			trans	101.7	143	178.6	0	0	0	0	0	113.7	Y56 Q93	Y56-G154 PolarHBondContact O-N 3.27Å; Q93-G154 PolarHBondContact NE2-O 2.79Å
155	D	95.8	Very high	95.6	Very high	78 Å²	78	48.7 Å²	48.7	42%	0.417	27%	0.271	S	S	.	.	S	Bend	trans	-101.7	-1.5	179.8	-51.6	-72.7	0	0	0	111.9	N55 Y56 Y157	N55-D155 VanDerWaalsContact CA-OD2 3.25Å; N55-D155 WeakPolarHBondContact CA-OD2 3.32Å; N55-D155 WeakPolarHBondContact CB-OD2 3.35Å; N55-D155 PolarHBondContact ND2-OD2 3Å; Y56-D155 WeakPolarHBondContact CB-OD1 3.46Å; Y56-D155 PolarHBondContact N-OD1 2.93Å; Y56-D155 PolarHBondContact N-OD2 3.05Å; D155-Y157 PolarHBondContact O-N 3Å
156	F	97.5	Very high	95.3	Very high	9 Å²	9	50.4 Å²	50.4	4%	0.039	28%	0.282	C	S	.	.			trans	-89.5	89.9	-179.5	-174.9	-100.7	0	0	0	109.8	G92 Q93 P180 L181 I184 Y280 C282 L306 E308	G92-F156 CarbonylContact C-O 3.43Å; G92-F156 VanDerWaalsContact CA-O 3.3Å; G92-F156 WeakPolarHBondContact CA-O 3.45Å; Q93-F156 PolarHBondContact N-O 2.99Å; F156-P180 HydrophobicContact CD1-CB 3.97Å; F156-P180 HydrophobicContact CD1-CG 4.34Å; F156-P180 HydrophobicContact CE1-CB 3.8Å; F156-P180 HydrophobicContact CE1-CG 3.9Å; F156-L181 HydrophobicContact CE1-CD2 3.74Å; F156-L181 HydrophobicContact CZ-CD2 3.66Å; F156-I184 HydrophobicContact CE1-CD1 4.35Å; F156-Y280 HydrophobicContact CD2-CD1 4.09Å; F156-Y280 HydrophobicContact CE1-CD1 4.17Å; F156-Y280 AromaticContact CE2-CD1 3.59Å; F156-Y280 HydrophobicContact CE2-CD1 3.59Å; F156-Y280 HydrophobicContact CE2-CG 4.34Å; F156-Y280 AromaticContact CZ-CD1 3.66Å; F156-Y280 HydrophobicContact CZ-CD1 3.66Å; F156-Y280 HydrophobicContact CZ-CG 4.19Å; F156-C282 HydrophobicContact CE1-CB 4.44Å; F156-C282 HydrophobicContact CZ-CB 4.32Å; F156-L306 HydrophobicContact CD2-CB 4.05Å; F156-L306 HydrophobicContact CE2-CB 3.98Å; F156-E308 HydrophobicContact CB-CB 4.14Å; F156-E308 HydrophobicContact CD1-CB 4Å; F156-E308 HydrophobicContact CD2-CB 4Å; F156-E308 HydrophobicContact CE1-CB 4.36Å; F156-E308 HydrophobicContact CE2-CB 4.35Å; F156-E308 HydrophobicContact CG-CB 3.79Å; F156-E308 HydrophobicContact CZ-CB 4.5Å
157	Y	98.3	Very high	95.1	Very high	76 Å²	76	50.3 Å²	50.3	30%	0.298	28%	0.281	S	S	.	.			trans	-149.6	158.6	178.6	60.3	-101.8	0	0	0	113.5	K90 A91 Q93 D155 D159 Y280	K90-Y157 HydrophobicContact CB-CD1 4.33Å; K90-Y157 HydrophobicContact CB-CD2 3.95Å; K90-Y157 HydrophobicContact CB-CG 3.73Å; K90-Y157 HydrophobicContact CD-CD1 4.06Å; K90-Y157 HydrophobicContact CD-CD2 3.42Å; K90-Y157 VanDerWaalsContact CD-CD2 3.42Å; K90-Y157 HydrophobicContact CD-CE1 4Å; K90-Y157 HydrophobicContact CD-CE2 3.39Å; K90-Y157 HydrophobicContact CD-CG 3.78Å; K90-Y157 HydrophobicContact CG-CD2 4.34Å; K90-Y157 HydrophobicContact CG-CG 4.42Å; K90-Y157 PolarHBondContact NZ-OH 2.82Å; A91-Y157 CarbonylContact O-C 3.58Å; A91-Y157 WeakPolarHBondContact O-CA 3.32Å; A91-Y157 VanDerWaalsContact O-CB 3.23Å; A91-Y157 WeakPolarHBondContact O-CB 3.38Å; Q93-Y157 HydrophobicContact CG-CD1 4.06Å; Q93-Y157 HydrophobicContact CG-CG 4.47Å; D155-Y157 PolarHBondContact O-N 3Å; Y157-D159 HydrophobicContact CD2-CB 3.69Å; Y157-D159 HydrophobicContact CE2-CB 3.83Å; Y157-Y280 WeakPolarHBondContact O-CE1 3.47Å; Y157-Y280 PolarHBondContact O-OH 3.35Å
158	F	98	Very high	95.1	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-107	121	168.5	-177.8	-120	0	0	0	110	A91 P160 V167 L169 I184 L191 I205 L278 Y280	A91-F158 PolarHBondContact O-N 2.86Å; F158-P160 HydrophobicContact CD1-CG 4.36Å; F158-P160 HydrophobicContact CE1-CB 4.45Å; F158-P160 HydrophobicContact CE1-CG 3.63Å; F158-P160 HydrophobicContact CE2-CB 4.02Å; F158-P160 HydrophobicContact CE2-CG 4.05Å; F158-P160 HydrophobicContact CZ-CB 3.78Å; F158-P160 HydrophobicContact CZ-CG 3.45Å; F158-P160 VanDerWaalsContact CZ-CG 3.45Å; F158-V167 HydrophobicContact CE2-CG1 4.07Å; F158-V167 HydrophobicContact CZ-CG1 4.01Å; F158-L169 HydrophobicContact CD1-CD1 4.11Å; F158-L169 HydrophobicContact CD2-CD2 3.99Å; F158-L169 HydrophobicContact CE1-CD1 3.9Å; F158-L169 HydrophobicContact CE2-CD1 4.45Å; F158-L169 HydrophobicContact CE2-CD2 3.76Å; F158-L169 HydrophobicContact CG-CD1 4.45Å; F158-L169 HydrophobicContact CZ-CD1 4.08Å; F158-L169 HydrophobicContact CZ-CD2 4.11Å; F158-L169 HydrophobicContact CZ-CG 4.49Å; F158-I184 HydrophobicContact CB-CB 4.39Å; F158-I184 HydrophobicContact CB-CD1 4.22Å; F158-I184 HydrophobicContact CB-CG1 3.91Å; F158-I184 HydrophobicContact CB-CG2 3.72Å; F158-I184 HydrophobicContact CD1-CG2 4.14Å; F158-I184 HydrophobicContact CG-CG2 4.16Å; F158-L191 HydrophobicContact CE1-CD1 4.31Å; F158-I205 HydrophobicContact CZ-CG1 4.32Å; F158-L278 HydrophobicContact CD2-CD2 4.37Å; F158-Y280 WeakPolarHBondContact CA-OH 3.17Å; F158-Y280 HydrophobicContact CB-CE2 4.19Å; F158-Y280 HydrophobicContact CD2-CE2 4.13Å; F158-Y280 HydrophobicContact CG-CE2 4.49Å
159	D	95.3	Very high	95.1	Very high	75 Å²	75	42 Å²	42	40%	0.401	25%	0.25	S	S	.	.			trans	-149.2	73.9	-176.8	-176.2	28	0	0	0	109.6	K90 Y157	K90-D159 HydrophobicContact CD-CB 3.95Å; K90-D159 WeakPolarHBondContact CD-OD2 3.36Å; K90-D159 WeakPolarHBondContact CE-OD2 3.47Å; K90-D159 IonicContact NZ-OD2 3.25Å; K90-D159 PolarHBondContact NZ-OD2 2.79Å; Y157-D159 HydrophobicContact CD2-CB 3.69Å; Y157-D159 HydrophobicContact CE2-CB 3.83Å
160	P	94.4	Very high	95.1	Very high	28 Å²	28	41 Å²	41	18%	0.182	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-72.5	140.5	-176.8	31.7	-36.3	0	0	0	111	F158 L191 F203	F158-P160 HydrophobicContact CD1-CG 4.36Å; F158-P160 HydrophobicContact CE1-CB 4.45Å; F158-P160 HydrophobicContact CE1-CG 3.63Å; F158-P160 HydrophobicContact CE2-CB 4.02Å; F158-P160 HydrophobicContact CE2-CG 4.05Å; F158-P160 HydrophobicContact CZ-CB 3.78Å; F158-P160 HydrophobicContact CZ-CG 3.45Å; F158-P160 VanDerWaalsContact CZ-CG 3.45Å; P160-L191 HydrophobicContact CG-CD1 3.53Å; P160-F203 HydrophobicContact CG-CD1 4.1Å; P160-F203 WeakPolarHBondContact O-CE1 3.25Å
161	L	90.1	Very high	95.1	Very high	132 Å²	132	41 Å²	41	69%	0.691	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-73.6	142.9	172.1	-65	174.9	0	0	0	110.8	S163 G164	L161-S163 PolarHBondContact O-N 3.08Å; L161-G164 PolarHBondContact O-N 2.65Å; L161-G164 VanDerWaalsContact O-N 3.08Å
162	P	89.6	Confident	95.1	Very high	57 Å²	57	38.5 Å²	38.5	37%	0.37	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.5	167.7	-22.2	32	0	0	0	110.6	G164 R201 F203	P162-G164 PolarHBondContact O-N 3.19Å; P162-G164 VanDerWaalsContact O-N 3.1Å; P162-R201 HydrophobicContact CB-CB 4.28Å; P162-R201 HydrophobicContact CB-CG 4.4Å; P162-F203 HydrophobicContact CB-CE1 4.34Å; P162-F203 HydrophobicContact CG-CE1 3.77Å; P162-F203 HydrophobicContact CG-CZ 3.96Å
163	S	86.9	Confident	95.1	Very high	93 Å²	93	38.5 Å²	38.5	65%	0.65	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	18.5	-177.2	-56.5	0	0	0	0	114.8	L161 R202	L161-S163 PolarHBondContact O-N 3.08Å; S163-R202 PolarHBondContact N-O 3.37Å
164	G	88.2	Confident	95.1	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	24%	0.235	C	C	.	.			trans	-67.4	178.6	172	0	0	0	0	0	113.4	L161 P162 N204	L161-G164 PolarHBondContact O-N 2.65Å; L161-G164 VanDerWaalsContact O-N 3.08Å; P162-G164 PolarHBondContact O-N 3.19Å; P162-G164 VanDerWaalsContact O-N 3.1Å; G164-N204 PolarHBondContact O-ND2 3.14Å
165	P	90.5	Very high	95.1	Very high	122 Å²	122	40 Å²	40	79%	0.792	25%	0.248	S	C	*	.			trans	-60.7	152.9	176.6	27.4	-34.7	0	0	0	111.5	V167	P165-V167 PolarHBondContact O-N 3.48Å
166	A	91.8	Very high	95.1	Very high	69 Å²	69	38.6 Å²	38.6	57%	0.57	24%	0.242	S	C	*	.			trans	-63	134.8	173.5	0	0	0	0	0	110.6	N204	A166-N204 VanDerWaalsContact CA-O 3.29Å; A166-N204 WeakPolarHBondContact CA-O 3.15Å; A166-N204 HydrophobicContact CB-CB 4.33Å
167	V	95.7	Very high	95.1	Very high	18 Å²	18	38.3 Å²	38.3	11%	0.109	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.1	179.4	66	0	0	0	0	111	F158 P165 L169 N204 G206 L278	F158-V167 HydrophobicContact CE2-CG1 4.07Å; F158-V167 HydrophobicContact CZ-CG1 4.01Å; P165-V167 PolarHBondContact O-N 3.48Å; V167-L169 HydrophobicContact CG2-CD2 4.11Å; V167-N204 PolarHBondContact N-O 2.91Å; V167-G206 PolarHBondContact O-N 2.72Å; V167-L278 HydrophobicContact CG2-CB 3.61Å; V167-L278 HydrophobicContact CG2-CD2 4.29Å
168	D	97.7	Very high	95.2	Very high	24 Å²	24	34.8 Å²	34.8	13%	0.128	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135	166.2	-71.6	-33.7	0	0	0	109.1	G206 S207 R276 T277 L278	D168-G206 VanDerWaalsContact OD1-CA 3.26Å; D168-G206 WeakPolarHBondContact OD1-CA 3.49Å; D168-S207 CarbonylContact C-O 3.54Å; D168-S207 WeakPolarHBondContact CA-O 3.3Å; D168-S207 PolarHBondContact OD1-N 2.88Å; D168-S207 PolarHBondContact OD1-OG 3.18Å; D168-R276 HydrophobicContact CB-CG 4.24Å; D168-R276 PolarHBondContact N-O 3.34Å; D168-R276 VanDerWaalsContact N-O 3.09Å; D168-R276 WeakPolarHBondContact OD2-CD 3.35Å; D168-R276 VanDerWaalsContact OD2-CG 3.3Å; D168-R276 WeakPolarHBondContact OD2-CG 3.27Å; D168-T277 CarbonylContact O-C 3.47Å; D168-T277 VanDerWaalsContact O-CA 3.26Å; D168-T277 WeakPolarHBondContact O-CA 3.28Å; D168-L278 PolarHBondContact O-N 3.38Å
169	L	98.6	Very high	95.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.8	-179.7	-58.3	-179.5	0	0	0	110.3	F158 V167 L171 I184 T188 S207 A208 H209 L278 Y280	F158-L169 HydrophobicContact CD1-CD1 4.11Å; F158-L169 HydrophobicContact CD2-CD2 3.99Å; F158-L169 HydrophobicContact CE1-CD1 3.9Å; F158-L169 HydrophobicContact CE2-CD1 4.45Å; F158-L169 HydrophobicContact CE2-CD2 3.76Å; F158-L169 HydrophobicContact CG-CD1 4.45Å; F158-L169 HydrophobicContact CZ-CD1 4.08Å; F158-L169 HydrophobicContact CZ-CD2 4.11Å; F158-L169 HydrophobicContact CZ-CG 4.49Å; V167-L169 HydrophobicContact CG2-CD2 4.11Å; L169-L171 HydrophobicContact CB-CD2 4.2Å; L169-L171 HydrophobicContact CB-CG 4.43Å; L169-I184 HydrophobicContact CD1-CG2 4.07Å; L169-T188 HydrophobicContact CD1-CG2 4.14Å; L169-T188 WeakPolarHBondContact CD1-OG1 3.45Å; L169-S207 PolarHBondContact N-O 2.95Å; L169-A208 HydrophobicContact CB-CB 3.86Å; L169-A208 HydrophobicContact CD1-CB 4.3Å; L169-A208 HydrophobicContact CG-CB 4.49Å; L169-A208 CarbonylContact O-C 3.52Å; L169-A208 VanDerWaalsContact O-CA 3.31Å; L169-A208 WeakPolarHBondContact O-CA 3.3Å; L169-H209 PolarHBondContact O-N 2.94Å; L169-L278 WeakPolarHBondContact CA-O 3.37Å; L169-L278 HydrophobicContact CD2-CB 4.19Å; L169-Y280 HydrophobicContact CD2-CD2 4.39Å; L169-Y280 HydrophobicContact CD2-CE2 4.04Å
170	L	98.8	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	106.7	164.5	177.1	59.1	0	0	0	108.7	V172 H209 L268 N271 V272 T277 L278 C279 Y280 L295	L170-V172 HydrophobicContact CD1-CG2 4.12Å; L170-V172 HydrophobicContact CD2-CG2 4.44Å; L170-V172 HydrophobicContact CG-CG2 3.93Å; L170-H209 HydrophobicContact CD1-CB 4.32Å; L170-L268 HydrophobicContact CD2-CD2 4.12Å; L170-N271 HydrophobicContact CD1-CB 4.19Å; L170-V272 HydrophobicContact CD2-CG2 3.88Å; L170-T277 HydrophobicContact CB-CG2 3.71Å; L170-L278 PolarHBondContact N-O 3.24Å; L170-C279 HydrophobicContact CB-CB 4.28Å; L170-C279 CarbonylContact O-C 3.55Å; L170-C279 VanDerWaalsContact O-CA 3.25Å; L170-C279 WeakPolarHBondContact O-CA 3.35Å; L170-C279 PolarHBondContact O-SG 3.23Å; L170-Y280 PolarHBondContact O-N 2.79Å; L170-L295 HydrophobicContact CD2-CD2 3.75Å
171	L	98.9	Very high	95.6	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.9	-179	-52.2	-178	0	0	0	108.7	L169 L181 I184 L185 H209 L210 C211 Y280	L169-L171 HydrophobicContact CB-CD2 4.2Å; L169-L171 HydrophobicContact CB-CG 4.43Å; L171-L181 HydrophobicContact CB-CB 4.4Å; L171-L181 HydrophobicContact CB-CD1 4.05Å; L171-I184 HydrophobicContact CD1-CG2 4.48Å; L171-I184 HydrophobicContact CD2-CG2 3.99Å; L171-L185 HydrophobicContact CD1-CB 4.13Å; L171-L185 HydrophobicContact CD1-CD1 4.27Å; L171-H209 PolarHBondContact N-O 2.77Å; L171-L210 HydrophobicContact CB-CB 4.45Å; L171-L210 HydrophobicContact CB-CD1 3.68Å; L171-L210 CarbonylContact O-C 3.57Å; L171-L210 WeakPolarHBondContact O-CA 3.43Å; L171-C211 PolarHBondContact O-N 3.09Å; L171-Y280 HydrophobicContact CD2-CD2 4.11Å; L171-Y280 HydrophobicContact CD2-CG 4.38Å
172	V	98.8	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	106.6	-177.9	179.4	0	0	0	0	110.7	L170 L181 C211 I263 L268 Y280 L281 C282 M287 V291	L170-V172 HydrophobicContact CD1-CG2 4.12Å; L170-V172 HydrophobicContact CD2-CG2 4.44Å; L170-V172 HydrophobicContact CG-CG2 3.93Å; V172-L181 WeakPolarHBondContact O-CD1 3.18Å; V172-C211 CarbonylContact C-O 3.54Å; V172-C211 WeakPolarHBondContact CA-O 3.29Å; V172-C211 HydrophobicContact CG2-CB 4.31Å; V172-I263 HydrophobicContact CG1-CD1 3.82Å; V172-L268 HydrophobicContact CG2-CD2 4.07Å; V172-Y280 PolarHBondContact N-O 2.77Å; V172-L281 HydrophobicContact CB-CD2 3.46Å; V172-L281 VanDerWaalsContact CB-CD2 3.46Å; V172-L281 HydrophobicContact CB-CG 4.27Å; V172-L281 HydrophobicContact CG1-CD2 3.66Å; V172-L281 HydrophobicContact CG2-CD2 4.05Å; V172-L281 WeakPolarHBondContact O-CA 3.41Å; V172-C282 PolarHBondContact O-N 3.02Å; V172-M287 HydrophobicContact CG1-CE 4.37Å; V172-V291 HydrophobicContact CG1-CG1 4.33Å; V172-V291 HydrophobicContact CG1-CG2 4.3Å; V172-V291 HydrophobicContact CG2-CG1 4.48Å
173	A	98.4	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.9	-174.9	0	0	0	0	0	113	I178 L181 L210 C211 Y212 S213 C282	A173-I178 HydrophobicContact CB-CB 3.96Å; A173-I178 HydrophobicContact CB-CD1 3.73Å; A173-I178 HydrophobicContact CB-CG1 4.44Å; A173-L181 HydrophobicContact CB-CD1 3.82Å; A173-L210 HydrophobicContact CB-CD1 4.49Å; A173-C211 PolarHBondContact N-O 3.2Å; A173-Y212 HydrophobicContact CB-CD2 3.46Å; A173-Y212 VanDerWaalsContact CB-CD2 3.46Å; A173-Y212 HydrophobicContact CB-CE2 4.15Å; A173-Y212 HydrophobicContact CB-CG 4.06Å; A173-S213 PolarHBondContact O-N 3.02Å; A173-C282 CarbonylContact C-O 3.48Å; A173-C282 WeakPolarHBondContact CA-O 3.5Å
174	G	97.6	Very high	97	Very high	6 Å²	6	17.6 Å²	17.6	6%	0.062	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.4	167.5	0	0	0	0	0	111.6	V176 G177 S213 C282 G283	G174-V176 PolarHBondContact O-N 3.34Å; G174-G177 PolarHBondContact O-N 3.07Å; G174-S213 WeakPolarHBondContact CA-O 3.46Å; G174-C282 PolarHBondContact N-O 3.16Å; G174-G283 WeakPolarHBondContact O-CA 3.44Å
175	G	96.2	Very high	97.5	Very high	27 Å²	27	17 Å²	17	28%	0.278	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	58.2	-127.6	-179.7	0	0	0	0	0	112.5	G177 I178 Y212 S213	G175-G177 PolarHBondContact O-N 2.65Å; G175-I178 VanDerWaalsContact O-CG2 3.29Å; G175-I178 WeakPolarHBondContact O-CG2 3.13Å; G175-I178 PolarHBondContact O-N 3.13Å; G175-Y212 VanDerWaalsContact O-CE2 3.24Å; G175-Y212 WeakPolarHBondContact O-CE2 3.39Å; G175-Y212 PolarHBondContact O-OH 3.43Å; G175-Y212 VanDerWaalsContact O-OH 3.11Å; G175-S213 PolarHBondContact N-O 2.91Å
176	V	96.7	Very high	97.9	Very high	48 Å²	48	12.4 Å²	12.4	29%	0.291	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-73.8	-5.6	176.8	-68.1	0	0	0	0	114.5	V76 K128 G174 I178 N179 L221	V76-V176 HydrophobicContact CG2-CG1 4.07Å; K128-V176 HydrophobicContact CB-CG1 3.68Å; K128-V176 HydrophobicContact CD-CG1 4.11Å; K128-V176 HydrophobicContact CG-CG1 4.49Å; G174-V176 PolarHBondContact O-N 3.34Å; V176-I178 PolarHBondContact O-N 3.36Å; V176-N179 PolarHBondContact O-N 2.94Å; V176-N179 VanDerWaalsContact O-N 3.09Å; V176-L221 HydrophobicContact CG1-CD1 4.16Å
177	G	97.6	Very high	98.2	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.031	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-62.2	-8.3	168.6	0	0	0	0	0	113.4	G174 G175 N179 P180 C282	G174-G177 PolarHBondContact O-N 3.07Å; G175-G177 PolarHBondContact O-N 2.65Å; G177-N179 VanDerWaalsContact C-N 3.26Å; G177-N179 PolarHBondContact O-N 2.84Å; G177-P180 WeakPolarHBondContact O-CD 3.46Å; G177-C282 WeakPolarHBondContact CA-O 3.24Å; G177-C282 WeakPolarHBondContact CA-SG 3.23Å; G177-C282 VanDerWaalsContact O-CB 3.27Å; G177-C282 WeakPolarHBondContact O-CB 3.39Å
178	I	98.7	Very high	98.3	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-62.9	-28.1	169.1	-170.7	57.1	0	0	0	113.3	A173 G175 V176 L181 Y182 L210 Y212 L221 F222 I226	A173-I178 HydrophobicContact CB-CB 3.96Å; A173-I178 HydrophobicContact CB-CD1 3.73Å; A173-I178 HydrophobicContact CB-CG1 4.44Å; G175-I178 VanDerWaalsContact O-CG2 3.29Å; G175-I178 WeakPolarHBondContact O-CG2 3.13Å; G175-I178 PolarHBondContact O-N 3.13Å; V176-I178 PolarHBondContact O-N 3.36Å; I178-L181 HydrophobicContact CD1-CB 4.49Å; I178-L181 CarbonylContact O-C 3.55Å; I178-L181 PolarHBondContact O-N 3.38Å; I178-L181 VanDerWaalsContact O-N 3.11Å; I178-Y182 VanDerWaalsContact O-CB 3.31Å; I178-Y182 WeakPolarHBondContact O-CB 3.34Å; I178-Y182 PolarHBondContact O-N 3.34Å; I178-L210 HydrophobicContact CD1-CD1 3.99Å; I178-L210 HydrophobicContact CD1-CD2 4.08Å; I178-Y212 HydrophobicContact CB-CD2 4.19Å; I178-Y212 HydrophobicContact CB-CE1 4.15Å; I178-Y212 HydrophobicContact CB-CE2 3.74Å; I178-Y212 HydrophobicContact CD1-CD1 4Å; I178-Y212 HydrophobicContact CD1-CD2 4.3Å; I178-Y212 HydrophobicContact CD1-CE1 4.31Å; I178-Y212 HydrophobicContact CD1-CG 4Å; I178-Y212 HydrophobicContact CG1-CD1 4.09Å; I178-Y212 HydrophobicContact CG1-CD2 4.45Å; I178-Y212 HydrophobicContact CG1-CE1 3.87Å; I178-Y212 HydrophobicContact CG1-CE2 4.28Å; I178-Y212 HydrophobicContact CG1-CG 4.38Å; I178-Y212 HydrophobicContact CG2-CE1 4.41Å; I178-Y212 HydrophobicContact CG2-CE2 4.2Å; I178-Y212 WeakPolarHBondContact CG2-OH 3.48Å; I178-L221 HydrophobicContact CG2-CB 4.05Å; I178-L221 HydrophobicContact CG2-CD1 3.87Å; I178-L221 HydrophobicContact CG2-CG 4.29Å; I178-F222 HydrophobicContact CG1-CD2 4.15Å; I178-F222 HydrophobicContact CG2-CD2 4.27Å; I178-F222 HydrophobicContact CG2-CE2 4.06Å; I178-I226 HydrophobicContact CD1-CD1 4.29Å
179	N	98.8	Very high	98.3	Very high	9 Å²	9	8.3 Å²	8.3	5%	0.048	5%	0.052	C	C	.	.	H	α-helix	trans	-52.8	-58.2	-172.8	-70.2	-2.7	0	0	0	114.2	M110 C111 A126 V176 G177 L181 Y182 S183	M110-N179 CarbonylContact O-C 3.56Å; M110-N179 VanDerWaalsContact O-O 3.07Å; C111-N179 HydrophobicContact CB-CB 4.07Å; A126-N179 PolarHBondContact O-ND2 3.36Å; V176-N179 PolarHBondContact O-N 2.94Å; V176-N179 VanDerWaalsContact O-N 3.09Å; G177-N179 VanDerWaalsContact C-N 3.26Å; G177-N179 PolarHBondContact O-N 2.84Å; N179-L181 VanDerWaalsContact C-N 3.27Å; N179-L181 PolarHBondContact O-N 3.06Å; N179-Y182 PolarHBondContact O-N 2.93Å; N179-S183 PolarHBondContact O-N 2.9Å
180	P	98.7	Very high	98.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.9	-31.1	-179.8	28.9	-35.8	0	0	0	111.8	G92 F156 G177 S183 I184 C282	G92-P180 VanDerWaalsContact O-CB 3.29Å; G92-P180 WeakPolarHBondContact O-CB 3.44Å; F156-P180 HydrophobicContact CD1-CB 3.97Å; F156-P180 HydrophobicContact CD1-CG 4.34Å; F156-P180 HydrophobicContact CE1-CB 3.8Å; F156-P180 HydrophobicContact CE1-CG 3.9Å; G177-P180 WeakPolarHBondContact O-CD 3.46Å; P180-S183 WeakPolarHBondContact O-CB 3.45Å; P180-S183 PolarHBondContact O-N 3.11Å; P180-I184 WeakPolarHBondContact O-CG1 3.39Å; P180-I184 PolarHBondContact O-N 2.75Å; P180-C282 HydrophobicContact CG-CB 3.97Å
181	L	98.8	Very high	98	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-72.9	-34	179.4	-55	-162.8	0	0	0	112.3	F156 L171 V172 A173 I178 N179 I184 L185 Y280 C282	F156-L181 HydrophobicContact CE1-CD2 3.74Å; F156-L181 HydrophobicContact CZ-CD2 3.66Å; L171-L181 HydrophobicContact CB-CB 4.4Å; L171-L181 HydrophobicContact CB-CD1 4.05Å; V172-L181 WeakPolarHBondContact O-CD1 3.18Å; A173-L181 HydrophobicContact CB-CD1 3.82Å; I178-L181 HydrophobicContact CD1-CB 4.49Å; I178-L181 CarbonylContact O-C 3.55Å; I178-L181 PolarHBondContact O-N 3.38Å; I178-L181 VanDerWaalsContact O-N 3.11Å; N179-L181 VanDerWaalsContact C-N 3.27Å; N179-L181 PolarHBondContact O-N 3.06Å; L181-I184 HydrophobicContact CD2-CD1 4.31Å; L181-I184 PolarHBondContact O-N 2.82Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 PolarHBondContact O-N 3.48Å; L181-Y280 WeakPolarHBondContact CD1-O 3.44Å; L181-C282 HydrophobicContact CD2-CB 4.45Å; L181-C282 HydrophobicContact CG-CB 4.38Å
182	Y	98.9	Very high	97.8	Very high	20 Å²	20	10.2 Å²	10.2	8%	0.078	6%	0.063	C	C	.	.	H	α-helix	trans	-68.7	-39.2	173.1	-177.7	-118.8	0	0	0	110.8	C111 I178 N179 I184 L185 L186 F222 S225 I226	C111-Y182 HydrophobicContact CB-CD1 4.24Å; C111-Y182 WeakPolarHBondContact O-CD1 3.3Å; C111-Y182 WeakPolarHBondContact O-CE1 3.29Å; I178-Y182 VanDerWaalsContact O-CB 3.31Å; I178-Y182 WeakPolarHBondContact O-CB 3.34Å; I178-Y182 PolarHBondContact O-N 3.34Å; N179-Y182 PolarHBondContact O-N 2.93Å; Y182-I184 VanDerWaalsContact C-N 3.34Å; Y182-I184 PolarHBondContact O-N 3.16Å; Y182-L185 HydrophobicContact CD2-CD2 4.43Å; Y182-L185 PolarHBondContact O-N 3.48Å; Y182-L186 HydrophobicContact CD1-CD1 4.04Å; Y182-L186 HydrophobicContact CD2-CG 4.31Å; Y182-L186 HydrophobicContact CE1-CD1 3.53Å; Y182-L186 HydrophobicContact CE1-CG 4.16Å; Y182-L186 HydrophobicContact CE2-CD1 4.23Å; Y182-L186 HydrophobicContact CE2-CD2 3.99Å; Y182-L186 HydrophobicContact CE2-CG 3.95Å; Y182-L186 WeakPolarHBondContact O-CB 3.37Å; Y182-L186 WeakPolarHBondContact O-CG 3.48Å; Y182-L186 PolarHBondContact O-N 2.85Å; Y182-F222 HydrophobicContact CD1-CB 4.22Å; Y182-F222 HydrophobicContact CD1-CD1 4.12Å; Y182-F222 AromaticContact CD1-CD2 3.44Å; Y182-F222 HydrophobicContact CD1-CD2 3.44Å; Y182-F222 VanDerWaalsContact CD1-CD2 3.44Å; Y182-F222 HydrophobicContact CD1-CE1 4.37Å; Y182-F222 AromaticContact CD1-CE2 3.72Å; Y182-F222 HydrophobicContact CD1-CE2 3.72Å; Y182-F222 AromaticContact CD1-CG 3.64Å; Y182-F222 HydrophobicContact CD1-CG 3.64Å; Y182-F222 HydrophobicContact CD1-CZ 4.17Å; Y182-F222 HydrophobicContact CD2-CB 3.97Å; Y182-F222 HydrophobicContact CD2-CD2 4.15Å; Y182-F222 HydrophobicContact CD2-CG 4.23Å; Y182-F222 HydrophobicContact CE1-CB 4.01Å; Y182-F222 AromaticContact CE1-CD1 3.83Å; Y182-F222 HydrophobicContact CE1-CD1 3.83Å; Y182-F222 AromaticContact CE1-CD2 3.97Å; Y182-F222 HydrophobicContact CE1-CD2 3.97Å; Y182-F222 HydrophobicContact CE1-CE1 4.29Å; Y182-F222 HydrophobicContact CE1-CE2 4.39Å; Y182-F222 AromaticContact CE1-CG 3.64Å; Y182-F222 HydrophobicContact CE1-CG 3.64Å; Y182-F222 HydrophobicContact CE2-CB 3.75Å; Y182-F222 HydrophobicContact CE2-CG 4.24Å; Y182-F222 HydrophobicContact CG-CB 4.21Å; Y182-F222 AromaticContact CG-CD2 3.56Å; Y182-F222 HydrophobicContact CG-CD2 3.56Å; Y182-F222 HydrophobicContact CG-CE2 4.12Å; Y182-F222 AromaticContact CG-CG 3.96Å; Y182-F222 HydrophobicContact CG-CG 3.96Å; Y182-F222 AromaticContact CZ-CG 3.95Å; Y182-S225 VanDerWaalsContact OH-CB 3.26Å; Y182-S225 WeakPolarHBondContact OH-CB 3.26Å; Y182-S225 PolarHBondContact OH-OG 2.89Å; Y182-I226 HydrophobicContact CD2-CD1 4.3Å; Y182-I226 HydrophobicContact CD2-CG1 3.85Å; Y182-I226 HydrophobicContact CE2-CG1 3.94Å
183	S	98.9	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.7	-46.7	169.1	179.9	0	0	0	0	111.7	A91 G92 M110 S112 N179 P180 L186 H187	A91-S183 WeakPolarHBondContact CA-OG 3.34Å; G92-S183 PolarHBondContact N-OG 2.87Å; M110-S183 WeakPolarHBondContact O-CB 3.39Å; S112-S183 WeakPolarHBondContact O-CB 3.16Å; S112-S183 PolarHBondContact O-OG 2.99Å; N179-S183 PolarHBondContact O-N 2.9Å; P180-S183 WeakPolarHBondContact O-CB 3.45Å; P180-S183 PolarHBondContact O-N 3.11Å; S183-L186 PolarHBondContact O-N 3.25Å; S183-H187 WeakPolarHBondContact O-CB 3.48Å; S183-H187 PolarHBondContact O-N 3.46Å
184	I	98.9	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-45.5	175.9	-69.1	168.3	0	0	0	111.4	A91 F156 F158 L169 L171 P180 L181 Y182 H187 T188 Y280	A91-I184 HydrophobicContact CB-CG1 4.25Å; A91-I184 WeakPolarHBondContact O-CG1 3.39Å; F156-I184 HydrophobicContact CE1-CD1 4.35Å; F158-I184 HydrophobicContact CB-CB 4.39Å; F158-I184 HydrophobicContact CB-CD1 4.22Å; F158-I184 HydrophobicContact CB-CG1 3.91Å; F158-I184 HydrophobicContact CB-CG2 3.72Å; F158-I184 HydrophobicContact CD1-CG2 4.14Å; F158-I184 HydrophobicContact CG-CG2 4.16Å; L169-I184 HydrophobicContact CD1-CG2 4.07Å; L171-I184 HydrophobicContact CD1-CG2 4.48Å; L171-I184 HydrophobicContact CD2-CG2 3.99Å; P180-I184 WeakPolarHBondContact O-CG1 3.39Å; P180-I184 PolarHBondContact O-N 2.75Å; L181-I184 HydrophobicContact CD2-CD1 4.31Å; L181-I184 PolarHBondContact O-N 2.82Å; Y182-I184 VanDerWaalsContact C-N 3.34Å; Y182-I184 PolarHBondContact O-N 3.16Å; I184-H187 PolarHBondContact O-N 3.34Å; I184-T188 WeakPolarHBondContact O-CB 3.32Å; I184-T188 PolarHBondContact O-N 3.2Å; I184-T188 PolarHBondContact O-OG1 2.8Å; I184-Y280 HydrophobicContact CD1-CD1 3.66Å; I184-Y280 HydrophobicContact CD1-CD2 4.36Å; I184-Y280 HydrophobicContact CD1-CE1 3.99Å; I184-Y280 HydrophobicContact CD1-CG 3.87Å
185	L	98.8	Very high	96.9	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-47.1	178.5	-176.1	73	0	0	0	111.4	L171 L181 Y182 T188 S189 A208 I226 F237	L171-L185 HydrophobicContact CD1-CB 4.13Å; L171-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 PolarHBondContact O-N 3.48Å; Y182-L185 HydrophobicContact CD2-CD2 4.43Å; Y182-L185 PolarHBondContact O-N 3.48Å; L185-T188 WeakPolarHBondContact O-CB 3.33Å; L185-T188 PolarHBondContact O-N 3.01Å; L185-S189 PolarHBondContact O-N 3.41Å; L185-A208 HydrophobicContact CD1-CB 4.46Å; L185-I226 HydrophobicContact CD2-CB 4.5Å; L185-I226 HydrophobicContact CD2-CG1 4.06Å; L185-I226 HydrophobicContact CD2-CG2 4.28Å; L185-F237 HydrophobicContact CD1-CD1 4.39Å; L185-F237 HydrophobicContact CD1-CD2 3.92Å; L185-F237 HydrophobicContact CD1-CE1 4.38Å; L185-F237 HydrophobicContact CD1-CE2 3.87Å; L185-F237 HydrophobicContact CD1-CG 4.19Å; L185-F237 HydrophobicContact CD1-CZ 4.12Å; L185-F237 HydrophobicContact CG-CE2 4.36Å
186	L	98.8	Very high	96.3	Very high	26 Å²	26	26.3 Å²	26.3	14%	0.136	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-41.4	177.2	-70.4	-179.2	0	0	0	111.7	Y182 S183 T188 S189 D190 K229	Y182-L186 HydrophobicContact CD1-CD1 4.04Å; Y182-L186 HydrophobicContact CD2-CG 4.31Å; Y182-L186 HydrophobicContact CE1-CD1 3.53Å; Y182-L186 HydrophobicContact CE1-CG 4.16Å; Y182-L186 HydrophobicContact CE2-CD1 4.23Å; Y182-L186 HydrophobicContact CE2-CD2 3.99Å; Y182-L186 HydrophobicContact CE2-CG 3.95Å; Y182-L186 WeakPolarHBondContact O-CB 3.37Å; Y182-L186 WeakPolarHBondContact O-CG 3.48Å; Y182-L186 PolarHBondContact O-N 2.85Å; S183-L186 PolarHBondContact O-N 3.25Å; L186-T188 VanDerWaalsContact C-N 3.34Å; L186-S189 VanDerWaalsContact O-CB 3.31Å; L186-S189 WeakPolarHBondContact O-CB 3.5Å; L186-S189 PolarHBondContact O-N 3.25Å; L186-D190 PolarHBondContact O-N 2.81Å; L186-K229 HydrophobicContact CD2-CG 4.49Å
187	H	98.4	Very high	95.6	Very high	24 Å²	24	28.8 Å²	28.8	11%	0.111	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-41.5	175.8	-177.1	45.7	0	0	0	111.9	A91 S183 I184 S189 D190 L191	A91-H187 HydrophobicContact CB-CB 3.39Å; S183-H187 WeakPolarHBondContact O-CB 3.48Å; S183-H187 PolarHBondContact O-N 3.46Å; I184-H187 PolarHBondContact O-N 3.34Å; H187-S189 VanDerWaalsContact C-N 3.27Å; H187-S189 PolarHBondContact O-N 3.43Å; H187-D190 WeakPolarHBondContact O-CB 3.11Å; H187-D190 PolarHBondContact O-N 3.49Å; H187-D190 VanDerWaalsContact O-N 3.12Å; H187-L191 WeakPolarHBondContact O-CG 3.31Å; H187-L191 PolarHBondContact O-N 2.96Å
188	T	97.9	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-41.2	174.7	-54.2	0	0	0	0	110.6	L169 I184 L185 L186 L191 L192 I205 F237	L169-T188 HydrophobicContact CD1-CG2 4.14Å; L169-T188 WeakPolarHBondContact CD1-OG1 3.45Å; I184-T188 WeakPolarHBondContact O-CB 3.32Å; I184-T188 PolarHBondContact O-N 3.2Å; I184-T188 PolarHBondContact O-OG1 2.8Å; L185-T188 WeakPolarHBondContact O-CB 3.33Å; L185-T188 PolarHBondContact O-N 3.01Å; L186-T188 VanDerWaalsContact C-N 3.34Å; T188-L191 PolarHBondContact O-N 3.3Å; T188-L192 WeakPolarHBondContact O-CG 3.49Å; T188-L192 PolarHBondContact O-N 2.9Å; T188-I205 HydrophobicContact CG2-CD1 3.98Å; T188-I205 HydrophobicContact CG2-CG1 4.48Å; T188-I205 HydrophobicContact CG2-CG2 3.62Å; T188-F237 HydrophobicContact CG2-CE1 3.57Å; T188-F237 HydrophobicContact CG2-CZ 3.59Å
189	S	97.3	Very high	92.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-46.4	172.6	-178.4	0	0	0	0	112.2	L185 L186 H187 L191 L192 R193 F233	L185-S189 PolarHBondContact O-N 3.41Å; L186-S189 VanDerWaalsContact O-CB 3.31Å; L186-S189 WeakPolarHBondContact O-CB 3.5Å; L186-S189 PolarHBondContact O-N 3.25Å; H187-S189 VanDerWaalsContact C-N 3.27Å; H187-S189 PolarHBondContact O-N 3.43Å; S189-L191 VanDerWaalsContact C-N 3.31Å; S189-L191 PolarHBondContact O-N 3.35Å; S189-L192 PolarHBondContact O-N 3.46Å; S189-R193 WeakPolarHBondContact O-CG 3.41Å; S189-R193 PolarHBondContact O-N 3.44Å; S189-F233 WeakPolarHBondContact OG-CE2 3.39Å
190	D	96.3	Very high	90.6	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-43.9	176.9	-70.7	-41.7	0	0	0	110.8	S113 R119 L186 H187 R193 L194	S113-D190 WeakPolarHBondContact CB-OD2 3.32Å; S113-D190 PolarHBondContact OG-OD2 3.28Å; R119-D190 IonicContact NH1-OD1 3.67Å; R119-D190 PolarHBondContact NH1-OD1 3.22Å; L186-D190 PolarHBondContact O-N 2.81Å; H187-D190 WeakPolarHBondContact O-CB 3.11Å; H187-D190 PolarHBondContact O-N 3.49Å; H187-D190 VanDerWaalsContact O-N 3.12Å; D190-R193 PolarHBondContact O-N 3.24Å; D190-L194 WeakPolarHBondContact O-CG 3.46Å; D190-L194 PolarHBondContact O-N 3.42Å; D190-L194 VanDerWaalsContact O-N 3.09Å
191	L	95	Very high	89.2	Confident	9 Å²	9	48 Å²	48	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-39.9	177.9	-64.6	177.8	0	0	0	112.8	F158 P160 H187 T188 S189 L194 N195 F203 I205	F158-L191 HydrophobicContact CE1-CD1 4.31Å; P160-L191 HydrophobicContact CG-CD1 3.53Å; H187-L191 WeakPolarHBondContact O-CG 3.31Å; H187-L191 PolarHBondContact O-N 2.96Å; T188-L191 PolarHBondContact O-N 3.3Å; S189-L191 VanDerWaalsContact C-N 3.31Å; S189-L191 PolarHBondContact O-N 3.35Å; L191-L194 HydrophobicContact CD2-CD1 4.37Å; L191-L194 WeakPolarHBondContact O-CB 3.36Å; L191-L194 PolarHBondContact O-N 3.42Å; L191-N195 PolarHBondContact O-N 2.69Å; L191-F203 HydrophobicContact CB-CB 4.46Å; L191-F203 HydrophobicContact CB-CD2 4.18Å; L191-F203 HydrophobicContact CB-CG 4.29Å; L191-F203 HydrophobicContact CD1-CD1 4.31Å; L191-F203 HydrophobicContact CD1-CG 4.4Å; L191-F203 HydrophobicContact CD2-CD1 4.13Å; L191-F203 HydrophobicContact CD2-CD2 3.88Å; L191-F203 HydrophobicContact CD2-CE1 3.91Å; L191-F203 HydrophobicContact CD2-CE2 3.68Å; L191-F203 HydrophobicContact CD2-CG 4.11Å; L191-F203 HydrophobicContact CD2-CZ 3.68Å; L191-I205 HydrophobicContact CB-CD1 3.73Å; L191-I205 HydrophobicContact CD1-CD1 3.86Å; L191-I205 HydrophobicContact CG-CD1 4.48Å
192	L	94.3	Very high	88.6	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-38.9	175.7	-70.9	174.8	0	0	0	112	T188 S189 L194 N195 Q196 I205 F233 N236 F237	T188-L192 WeakPolarHBondContact O-CG 3.49Å; T188-L192 PolarHBondContact O-N 2.9Å; S189-L192 PolarHBondContact O-N 3.46Å; L192-L194 VanDerWaalsContact C-N 3.32Å; L192-L194 PolarHBondContact O-N 2.77Å; L192-N195 WeakPolarHBondContact O-CB 3.4Å; L192-N195 PolarHBondContact O-N 3.15Å; L192-Q196 PolarHBondContact O-N 2.73Å; L192-I205 HydrophobicContact CD2-CB 4.22Å; L192-I205 HydrophobicContact CD2-CG2 4.5Å; L192-F233 HydrophobicContact CB-CD1 4.06Å; L192-F233 HydrophobicContact CB-CE1 3.69Å; L192-F233 HydrophobicContact CB-CZ 4.19Å; L192-F233 HydrophobicContact CD1-CB 4.43Å; L192-F233 HydrophobicContact CD1-CD1 3.88Å; L192-F233 HydrophobicContact CD1-CE1 4.33Å; L192-F233 HydrophobicContact CD1-CG 4.05Å; L192-N236 HydrophobicContact CD1-CB 3.86Å; L192-F237 HydrophobicContact CD1-CE1 3.78Å; L192-F237 HydrophobicContact CD1-CZ 3.77Å
193	R	93.8	Very high	88.2	Confident	108 Å²	108	55.8 Å²	55.8	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-38.9	173.1	-68.2	-176.3	179.3	-162.8	4.9	111.9	S189 D190 Q196 S197 E232 F233	S189-R193 WeakPolarHBondContact O-CG 3.41Å; S189-R193 PolarHBondContact O-N 3.44Å; D190-R193 PolarHBondContact O-N 3.24Å; R193-Q196 PolarHBondContact O-N 2.7Å; R193-S197 PolarHBondContact O-N 3.43Å; R193-S197 PolarHBondContact O-OG 3.26Å; R193-E232 IonicContact CZ-OE1 3.19Å; R193-E232 IonicContact CZ-OE2 2.68Å; R193-E232 IonicContact NE-OE1 2.88Å; R193-E232 PolarHBondContact NE-OE1 2.9Å; R193-E232 IonicContact NH2-OE1 3.02Å; R193-E232 PolarHBondContact NH2-OE1 3Å; R193-E232 IonicContact NH2-OE2 3.87Å; R193-E232 PolarHBondContact NH2-OE2 3.15Å; R193-F233 HydrophobicContact CG-CZ 3.75Å
194	L	91.4	Very high	87.9	Confident	85 Å²	85	59.4 Å²	59.4	45%	0.445	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-40.1	175.5	-69.7	173.7	0	0	0	111.9	D190 L191 L192 Q196 S197 S198	D190-L194 WeakPolarHBondContact O-CG 3.46Å; D190-L194 PolarHBondContact O-N 3.42Å; D190-L194 VanDerWaalsContact O-N 3.09Å; L191-L194 HydrophobicContact CD2-CD1 4.37Å; L191-L194 WeakPolarHBondContact O-CB 3.36Å; L191-L194 PolarHBondContact O-N 3.42Å; L192-L194 VanDerWaalsContact C-N 3.32Å; L192-L194 PolarHBondContact O-N 2.77Å; L194-Q196 VanDerWaalsContact C-N 3.26Å; L194-Q196 PolarHBondContact O-N 2.76Å; L194-S197 PolarHBondContact O-N 2.81Å; L194-S197 VanDerWaalsContact O-N 3.08Å; L194-S198 WeakPolarHBondContact O-CB 3.26Å; L194-S198 PolarHBondContact O-N 3.09Å
195	N	89.9	Confident	87.7	Confident	32 Å²	32	60 Å²	60	17%	0.171	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-36.6	174.7	-76.4	-7.8	0	0	0	113	L191 L192 S197 R202 F203	L191-N195 PolarHBondContact O-N 2.69Å; L192-N195 WeakPolarHBondContact O-CB 3.4Å; L192-N195 PolarHBondContact O-N 3.15Å; N195-S197 VanDerWaalsContact C-N 3.34Å; N195-R202 VanDerWaalsContact OD1-CA 3.29Å; N195-R202 WeakPolarHBondContact OD1-CA 3.4Å; N195-F203 PolarHBondContact ND2-O 2.76Å; N195-F203 PolarHBondContact OD1-N 2.85Å
196	Q	85.3	Confident	87.4	Confident	146 Å²	146	61.4 Å²	61.4	68%	0.682	34%	0.339	S	S	*	.	H	α-helix	trans	-73.3	-28	177.6	-66.6	172.7	-1.2	0	0	112.2	L192 R193 L194	L192-Q196 PolarHBondContact O-N 2.73Å; R193-Q196 PolarHBondContact O-N 2.7Å; L194-Q196 VanDerWaalsContact C-N 3.26Å; L194-Q196 PolarHBondContact O-N 2.76Å
197	S	81.9	Confident	87.3	Confident	100 Å²	100	62.1 Å²	62.1	70%	0.699	35%	0.347	S	S	*	.	H	α-helix	trans	-99.3	-18.2	-171	-51	0	0	0	0	114.2	R193 L194 N195	R193-S197 PolarHBondContact O-N 3.43Å; R193-S197 PolarHBondContact O-OG 3.26Å; L194-S197 PolarHBondContact O-N 2.81Å; L194-S197 VanDerWaalsContact O-N 3.08Å; N195-S197 VanDerWaalsContact C-N 3.34Å
198	S	68.8	Low	87.3	Confident	57 Å²	57	61 Å²	61	40%	0.399	34%	0.341	S	S	.	.			trans	-126.1	128.3	-169.6	-61.3	0	0	0	0	113.3	L194 G200	L194-S198 WeakPolarHBondContact O-CB 3.26Å; L194-S198 PolarHBondContact O-N 3.09Å; S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 2.84Å
199	A	61.3	Low	87.3	Confident	109 Å²	109	61.5 Å²	61.5	90%	0.901	34%	0.343	S	S	*	.	S	Bend	trans	-77.3	-9.1	-179.7	0	0	0	0	0	115.2
200	G	58.9	Low	87.4	Confident	69 Å²	69	61.6 Å²	61.6	71%	0.711	34%	0.344	S	S	*	.	S	Bend	trans	-120.4	-16.2	-165.5	0	0	0	0	0	118.1	S198	S198-G200 VanDerWaalsContact C-N 3.34Å; S198-G200 PolarHBondContact O-N 2.84Å
201	R	70.3	Confident	87.5	Confident	181 Å²	181	60.4 Å²	60.4	68%	0.683	34%	0.337	S	S	*	.			trans	-134.8	92.6	-179.8	-71.3	-178	179.4	167.2	-0.1	109.4	P162	P162-R201 HydrophobicContact CB-CB 4.28Å; P162-R201 HydrophobicContact CB-CG 4.4Å
202	R	85.1	Confident	87.7	Confident	158 Å²	158	60 Å²	60	60%	0.596	34%	0.335	S	S	*	.			trans	-97.1	130.5	177.1	-71.8	-173.2	179.1	174.8	1.2	110.7	S163 N195	S163-R202 PolarHBondContact N-O 3.37Å; N195-R202 VanDerWaalsContact OD1-CA 3.29Å; N195-R202 WeakPolarHBondContact OD1-CA 3.4Å
203	F	91.4	Very high	87.9	Confident	27 Å²	27	60.3 Å²	60.3	12%	0.118	34%	0.339	C	S	.	.			trans	-94.1	124.7	171.3	-60	-87.7	0	0	0	108.7	P160 P162 L191 N195 I205	P160-F203 HydrophobicContact CG-CD1 4.1Å; P160-F203 WeakPolarHBondContact O-CE1 3.25Å; P162-F203 HydrophobicContact CB-CE1 4.34Å; P162-F203 HydrophobicContact CG-CE1 3.77Å; P162-F203 HydrophobicContact CG-CZ 3.96Å; L191-F203 HydrophobicContact CB-CB 4.46Å; L191-F203 HydrophobicContact CB-CD2 4.18Å; L191-F203 HydrophobicContact CB-CG 4.29Å; L191-F203 HydrophobicContact CD1-CD1 4.31Å; L191-F203 HydrophobicContact CD1-CG 4.4Å; L191-F203 HydrophobicContact CD2-CD1 4.13Å; L191-F203 HydrophobicContact CD2-CD2 3.88Å; L191-F203 HydrophobicContact CD2-CE1 3.91Å; L191-F203 HydrophobicContact CD2-CE2 3.68Å; L191-F203 HydrophobicContact CD2-CG 4.11Å; L191-F203 HydrophobicContact CD2-CZ 3.68Å; N195-F203 PolarHBondContact ND2-O 2.76Å; N195-F203 PolarHBondContact OD1-N 2.85Å; F203-I205 VanDerWaalsContact C-N 3.27Å; F203-I205 HydrophobicContact CB-CD1 3.98Å; F203-I205 HydrophobicContact CB-CG1 4.36Å; F203-I205 PolarHBondContact O-N 3.38Å
204	N	91.4	Very high	88.1	Confident	76 Å²	76	55.6 Å²	55.6	41%	0.406	32%	0.322	S	S	.	.			trans	-85.9	68.8	-176.3	-67.5	-25.7	0	0	0	110.8	G164 A166 V167	G164-N204 PolarHBondContact O-ND2 3.14Å; A166-N204 VanDerWaalsContact CA-O 3.29Å; A166-N204 WeakPolarHBondContact CA-O 3.15Å; A166-N204 HydrophobicContact CB-CB 4.33Å; V167-N204 PolarHBondContact N-O 2.91Å
205	I	94.3	Very high	88.3	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.062	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.6	174.9	-60.1	153.4	0	0	0	107.2	F158 T188 L191 L192 F203	F158-I205 HydrophobicContact CZ-CG1 4.32Å; T188-I205 HydrophobicContact CG2-CD1 3.98Å; T188-I205 HydrophobicContact CG2-CG1 4.48Å; T188-I205 HydrophobicContact CG2-CG2 3.62Å; L191-I205 HydrophobicContact CB-CD1 3.73Å; L191-I205 HydrophobicContact CD1-CD1 3.86Å; L191-I205 HydrophobicContact CG-CD1 4.48Å; L192-I205 HydrophobicContact CD2-CB 4.22Å; L192-I205 HydrophobicContact CD2-CG2 4.5Å; F203-I205 VanDerWaalsContact C-N 3.27Å; F203-I205 HydrophobicContact CB-CD1 3.98Å; F203-I205 HydrophobicContact CB-CG1 4.36Å; F203-I205 PolarHBondContact O-N 3.38Å
206	G	93.6	Very high	88.6	Confident	34 Å²	34	56.8 Å²	56.8	35%	0.351	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-67.8	177.3	0	0	0	0	0	110.5	V167 D168 N236	V167-G206 PolarHBondContact O-N 2.72Å; D168-G206 VanDerWaalsContact OD1-CA 3.26Å; D168-G206 WeakPolarHBondContact OD1-CA 3.49Å; G206-N236 PolarHBondContact O-ND2 3.44Å
207	S	96.3	Very high	89.2	Confident	42 Å²	42	50 Å²	50	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.6	-177.6	61.1	0	0	0	0	112.4	D168 L169 N236	D168-S207 CarbonylContact C-O 3.54Å; D168-S207 WeakPolarHBondContact CA-O 3.3Å; D168-S207 PolarHBondContact OD1-N 2.88Å; D168-S207 PolarHBondContact OD1-OG 3.18Å; L169-S207 PolarHBondContact N-O 2.95Å; S207-N236 CarbonylContact C-O 3.55Å; S207-N236 WeakPolarHBondContact CA-O 3.34Å; S207-N236 WeakPolarHBondContact CB-O 3.45Å
208	A	98.2	Very high	89.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	117.1	166	0	0	0	0	0	109.6	L169 L185 N236 F237 T238	L169-A208 HydrophobicContact CB-CB 3.86Å; L169-A208 HydrophobicContact CD1-CB 4.3Å; L169-A208 HydrophobicContact CG-CB 4.49Å; L169-A208 CarbonylContact O-C 3.52Å; L169-A208 VanDerWaalsContact O-CA 3.31Å; L169-A208 WeakPolarHBondContact O-CA 3.3Å; L185-A208 HydrophobicContact CD1-CB 4.46Å; A208-N236 PolarHBondContact N-O 3.17Å; A208-F237 HydrophobicContact CB-CD1 3.58Å; A208-F237 HydrophobicContact CB-CE1 3.61Å; A208-F237 WeakPolarHBondContact O-CA 3.38Å; A208-T238 PolarHBondContact O-N 3.48Å; A208-T238 VanDerWaalsContact O-N 3.15Å
209	H	98.6	Very high	91.2	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.046	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.8	173.3	-171.5	68.9	0	0	0	110.4	L169 L170 L171 C211 T238 N240 E267 N271	L169-H209 PolarHBondContact O-N 2.94Å; L170-H209 HydrophobicContact CD1-CB 4.32Å; L171-H209 PolarHBondContact N-O 2.77Å; H209-C211 PolarHBondContact CD2-SG 3.02Å; H209-C211 PolarHBondContact NE2-SG 2.92Å; H209-T238 WeakPolarHBondContact CA-O 3.44Å; H209-T238 PolarHBondContact ND1-OG1 3.3Å; H209-N240 PolarHBondContact CE1-ND2 2.99Å; H209-N240 VanDerWaalsContact CE1-ND2 3.28Å; H209-N240 PolarHBondContact NE2-ND2 2.94Å; H209-E267 IonicContact NE2-OE1 3.2Å; H209-N271 HydrophobicContact CB-CB 4.13Å; H209-N271 PolarHBondContact CD2-ND2 3.37Å; H209-N271 VanDerWaalsContact CG-CG 3.48Å; H209-N271 VanDerWaalsContact CG-OD1 3.22Å; H209-N271 PolarHBondContact ND1-OD1 3.04Å; H209-N271 PolarHBondContact NE2-ND2 3.5Å
210	L	98.9	Very high	93	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.6	175.1	176.7	68.9	0	0	0	111.4	L171 A173 I178 I226 T238 C239 N240 F241	L171-L210 HydrophobicContact CB-CB 4.45Å; L171-L210 HydrophobicContact CB-CD1 3.68Å; L171-L210 CarbonylContact O-C 3.57Å; L171-L210 WeakPolarHBondContact O-CA 3.43Å; A173-L210 HydrophobicContact CB-CD1 4.49Å; I178-L210 HydrophobicContact CD1-CD1 3.99Å; I178-L210 HydrophobicContact CD1-CD2 4.08Å; L210-I226 HydrophobicContact CD2-CD1 3.84Å; L210-I226 HydrophobicContact CD2-CG1 4.34Å; L210-I226 HydrophobicContact CD2-CG2 3.74Å; L210-T238 PolarHBondContact N-O 3.3Å; L210-C239 HydrophobicContact CB-CB 4.03Å; L210-C239 HydrophobicContact CD2-CB 4.39Å; L210-C239 CarbonylContact O-C 3.56Å; L210-C239 VanDerWaalsContact O-CA 3.25Å; L210-C239 WeakPolarHBondContact O-CA 3.37Å; L210-N240 PolarHBondContact O-N 3.31Å; L210-F241 HydrophobicContact CD2-CE1 4.49Å
211	C	98.7	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.1	162.3	-56.9	0	0	0	0	108.8	L171 V172 A173 H209 N240 I263 E267	L171-C211 PolarHBondContact O-N 3.09Å; V172-C211 CarbonylContact C-O 3.54Å; V172-C211 WeakPolarHBondContact CA-O 3.29Å; V172-C211 HydrophobicContact CG2-CB 4.31Å; A173-C211 PolarHBondContact N-O 3.2Å; H209-C211 PolarHBondContact CD2-SG 3.02Å; H209-C211 PolarHBondContact NE2-SG 2.92Å; C211-N240 WeakPolarHBondContact CA-O 3.47Å; C211-I263 HydrophobicContact CB-CD1 3.71Å; C211-I263 HydrophobicContact CB-CG1 4.09Å; C211-I263 HydrophobicContact CB-CG2 4.12Å; C211-E267 PolarHBondContact SG-OE1 2.94Å
212	Y	98.7	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.6	-177.3	173.2	-150.5	0	0	0	111.9	A173 G175 I178 E219 L220 L221 N240 F241 H242	A173-Y212 HydrophobicContact CB-CD2 3.46Å; A173-Y212 VanDerWaalsContact CB-CD2 3.46Å; A173-Y212 HydrophobicContact CB-CE2 4.15Å; A173-Y212 HydrophobicContact CB-CG 4.06Å; G175-Y212 VanDerWaalsContact O-CE2 3.24Å; G175-Y212 WeakPolarHBondContact O-CE2 3.39Å; G175-Y212 PolarHBondContact O-OH 3.43Å; G175-Y212 VanDerWaalsContact O-OH 3.11Å; I178-Y212 HydrophobicContact CB-CD2 4.19Å; I178-Y212 HydrophobicContact CB-CE1 4.15Å; I178-Y212 HydrophobicContact CB-CE2 3.74Å; I178-Y212 HydrophobicContact CD1-CD1 4Å; I178-Y212 HydrophobicContact CD1-CD2 4.3Å; I178-Y212 HydrophobicContact CD1-CE1 4.31Å; I178-Y212 HydrophobicContact CD1-CG 4Å; I178-Y212 HydrophobicContact CG1-CD1 4.09Å; I178-Y212 HydrophobicContact CG1-CD2 4.45Å; I178-Y212 HydrophobicContact CG1-CE1 3.87Å; I178-Y212 HydrophobicContact CG1-CE2 4.28Å; I178-Y212 HydrophobicContact CG1-CG 4.38Å; I178-Y212 HydrophobicContact CG2-CE1 4.41Å; I178-Y212 HydrophobicContact CG2-CE2 4.2Å; I178-Y212 WeakPolarHBondContact CG2-OH 3.48Å; Y212-E219 PolarHBondContact OH-O 2.95Å; Y212-L220 HydrophobicContact CD1-CD2 3.68Å; Y212-L220 HydrophobicContact CE1-CB 4.15Å; Y212-L220 HydrophobicContact CE1-CD2 3.69Å; Y212-L220 HydrophobicContact CG-CD2 4.19Å; Y212-L221 PolarHBondContact OH-N 3.22Å; Y212-L221 VanDerWaalsContact OH-N 3.16Å; Y212-N240 PolarHBondContact N-O 3.39Å; Y212-F241 AromaticContact CD1-CD1 3.87Å; Y212-F241 HydrophobicContact CD1-CD1 3.87Å; Y212-F241 AromaticContact CD1-CE1 3.94Å; Y212-F241 HydrophobicContact CD1-CE1 3.94Å; Y212-F241 HydrophobicContact CG-CD1 4.35Å; Y212-F241 CarbonylContact O-C 3.59Å; Y212-F241 VanDerWaalsContact O-CA 3.32Å; Y212-F241 WeakPolarHBondContact O-CA 3.34Å; Y212-H242 PolarHBondContact O-N 3.13Å
213	S	98.4	Very high	96.8	Very high	18 Å²	18	25.6 Å²	25.6	13%	0.126	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.6	177.8	-169.6	0	0	0	0	113.3	A173 G174 G175 H242	A173-S213 PolarHBondContact O-N 3.02Å; G174-S213 WeakPolarHBondContact CA-O 3.46Å; G175-S213 PolarHBondContact N-O 2.91Å; S213-H242 CarbonylContact C-O 3.49Å; S213-H242 VanDerWaalsContact CA-O 3.23Å; S213-H242 WeakPolarHBondContact CA-O 3.41Å; S213-H242 PolarHBondContact OG-O 3.16Å
214	A	97.6	Very high	97.1	Very high	8 Å²	8	27.3 Å²	27.3	7%	0.066	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	177.4	172.5	0	0	0	0	0	111.4	E219 L220 H242 V243 T244	A214-E219 HydrophobicContact CB-CB 4.17Å; A214-E219 WeakPolarHBondContact CB-O 3.42Å; A214-L220 HydrophobicContact CB-CD2 3.62Å; A214-L220 HydrophobicContact CB-CG 4.05Å; A214-H242 PolarHBondContact N-O 3.09Å; A214-V243 WeakPolarHBondContact O-CA 3.43Å; A214-T244 PolarHBondContact O-N 2.95Å; A214-T244 VanDerWaalsContact O-N 3.1Å; A214-T244 PolarHBondContact O-OG1 3.05Å
215	K	96.4	Very high	97.4	Very high	110 Å²	110	25.1 Å²	25.1	48%	0.478	14%	0.144	S	C	.	.	S	Bend	trans	-67.5	-45.8	177.2	-175.2	-178.1	175.3	-172.1	0	111	T244 Q245	K215-T244 PolarHBondContact O-N 2.79Å; K215-Q245 HydrophobicContact CG-CB 3.79Å; K215-Q245 HydrophobicContact CG-CG 4.21Å; K215-Q245 CarbonylContact O-C 3.54Å; K215-Q245 VanDerWaalsContact O-C 3.27Å; K215-Q245 WeakPolarHBondContact O-CA 3.24Å; K215-Q245 PolarHBondContact O-N 3.31Å
216	N	97.2	Very high	97.6	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.171	14%	0.141	C	C	.	.	S	Bend	trans	-157.3	176.1	-174.1	56.1	4.5	0	0	0	109.2	E218 E219 L220	N216-E218 VanDerWaalsContact CB-OE2 3.3Å; N216-E218 WeakPolarHBondContact CB-OE2 3.36Å; N216-E218 PolarHBondContact ND2-OE2 3.22Å; N216-E218 PolarHBondContact O-N 2.93Å; N216-E219 PolarHBondContact O-N 2.72Å; N216-E219 VanDerWaalsContact O-N 3.16Å; N216-E219 VanDerWaalsContact OD1-CB 3.29Å; N216-E219 WeakPolarHBondContact OD1-CB 3Å; N216-E219 WeakPolarHBondContact OD1-CG 3.46Å; N216-E219 PolarHBondContact OD1-N 3.09Å; N216-E219 VanDerWaalsContact OD1-N 3.13Å; N216-L220 PolarHBondContact O-N 3.4Å
217	T	97.1	Very high	97.8	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.1	-179.9	37.9	0	0	0	0	114.1	E219 L220 K223 V243 Q246 V250 L254 V258	T217-E219 VanDerWaalsContact C-N 3.32Å; T217-L220 HydrophobicContact CG2-CD1 4.33Å; T217-L220 PolarHBondContact O-N 2.86Å; T217-K223 WeakPolarHBondContact O-CE 3.17Å; T217-K223 PolarHBondContact O-NZ 2.8Å; T217-V243 HydrophobicContact CG2-CG1 4.36Å; T217-Q246 PolarHBondContact OG1-NE2 3Å; T217-Q246 PolarHBondContact OG1-OE1 3.42Å; T217-V250 HydrophobicContact CG2-CB 4.49Å; T217-V250 HydrophobicContact CG2-CG1 4.11Å; T217-V250 HydrophobicContact CG2-CG2 3.98Å; T217-L254 HydrophobicContact CG2-CD1 4.19Å; T217-V258 HydrophobicContact CG2-CG2 4.41Å
218	E	96.1	Very high	97.9	Very high	86 Å²	86	28.4 Å²	28.4	40%	0.402	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-72.5	-28	178.3	-59.6	69.8	-130.6	0	0	111.8	S73 N216	S73-E218 VanDerWaalsContact CB-O 3.29Å; S73-E218 WeakPolarHBondContact CB-O 3.38Å; N216-E218 VanDerWaalsContact CB-OE2 3.3Å; N216-E218 WeakPolarHBondContact CB-OE2 3.36Å; N216-E218 PolarHBondContact ND2-OE2 3.22Å; N216-E218 PolarHBondContact O-N 2.93Å
219	E	97	Very high	97.9	Very high	24 Å²	24	29.7 Å²	29.7	11%	0.112	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-95.4	4.3	178	-69.1	-80.5	121.3	0	0	113.3	S73 T75 K128 Y212 A214 N216 T217 L221	S73-E219 PolarHBondContact OG-OE1 3.42Å; T75-E219 VanDerWaalsContact OG1-CD 3.23Å; T75-E219 PolarHBondContact OG1-OE1 3.04Å; T75-E219 PolarHBondContact OG1-OE2 2.92Å; K128-E219 IonicContact NZ-OE2 2.76Å; K128-E219 PolarHBondContact NZ-OE2 3.01Å; Y212-E219 PolarHBondContact OH-O 2.95Å; A214-E219 HydrophobicContact CB-CB 4.17Å; A214-E219 WeakPolarHBondContact CB-O 3.42Å; N216-E219 PolarHBondContact O-N 2.72Å; N216-E219 VanDerWaalsContact O-N 3.16Å; N216-E219 VanDerWaalsContact OD1-CB 3.29Å; N216-E219 WeakPolarHBondContact OD1-CB 3Å; N216-E219 WeakPolarHBondContact OD1-CG 3.46Å; N216-E219 PolarHBondContact OD1-N 3.09Å; N216-E219 VanDerWaalsContact OD1-N 3.13Å; T217-E219 VanDerWaalsContact C-N 3.32Å; E219-L221 PolarHBondContact O-N 2.81Å
220	L	97.9	Very high	97.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.154	C	C	.	.			trans	-79.3	93.8	165.6	-67.8	171.8	0	0	0	109	Y212 A214 N216 T217 K223 F241 V243 V258	Y212-L220 HydrophobicContact CD1-CD2 3.68Å; Y212-L220 HydrophobicContact CE1-CB 4.15Å; Y212-L220 HydrophobicContact CE1-CD2 3.69Å; Y212-L220 HydrophobicContact CG-CD2 4.19Å; A214-L220 HydrophobicContact CB-CD2 3.62Å; A214-L220 HydrophobicContact CB-CG 4.05Å; N216-L220 PolarHBondContact O-N 3.4Å; T217-L220 HydrophobicContact CG2-CD1 4.33Å; T217-L220 PolarHBondContact O-N 2.86Å; L220-K223 HydrophobicContact CB-CB 4.11Å; L220-K223 HydrophobicContact CB-CD 4.16Å; L220-K223 HydrophobicContact CB-CG 4.47Å; L220-K223 WeakPolarHBondContact O-CG 3.42Å; L220-K223 PolarHBondContact O-NZ 3.37Å; L220-F241 HydrophobicContact CD1-CB 3.67Å; L220-F241 HydrophobicContact CD1-CD1 4.42Å; L220-F241 HydrophobicContact CD1-CD2 4.18Å; L220-F241 HydrophobicContact CD1-CG 3.84Å; L220-F241 HydrophobicContact CD2-CB 4Å; L220-F241 HydrophobicContact CD2-CD1 4.02Å; L220-F241 HydrophobicContact CD2-CG 4.17Å; L220-V243 HydrophobicContact CD1-CG1 4.15Å; L220-V258 HydrophobicContact CD1-CG2 4.4Å
221	L	98.4	Very high	97.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	146.4	177.3	-48.1	-179.4	0	0	0	110.5	E72 V76 V176 I178 Y212 E219 K223	E72-L221 HydrophobicContact CB-CD2 4.4Å; E72-L221 HydrophobicContact CG-CB 4.19Å; E72-L221 HydrophobicContact CG-CD2 3.8Å; E72-L221 HydrophobicContact CG-CG 4.47Å; V76-L221 HydrophobicContact CB-CD1 4.45Å; V76-L221 HydrophobicContact CB-CD2 3.95Å; V76-L221 HydrophobicContact CG1-CD1 3.98Å; V76-L221 HydrophobicContact CG1-CD2 4.2Å; V76-L221 HydrophobicContact CG2-CD1 4.15Å; V76-L221 HydrophobicContact CG2-CD2 3.91Å; V176-L221 HydrophobicContact CG1-CD1 4.16Å; I178-L221 HydrophobicContact CG2-CB 4.05Å; I178-L221 HydrophobicContact CG2-CD1 3.87Å; I178-L221 HydrophobicContact CG2-CG 4.29Å; Y212-L221 PolarHBondContact OH-N 3.22Å; Y212-L221 VanDerWaalsContact OH-N 3.16Å; E219-L221 PolarHBondContact O-N 2.81Å; L221-K223 PolarHBondContact O-N 2.85Å
222	F	98.5	Very high	97.7	Very high	8 Å²	8	36 Å²	36	4%	0.035	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	9.7	175.9	-36.8	-56.1	0	0	0	116.1	E72 C111 A126 I178 Y182 S224 S225 I226	E72-F222 HydrophobicContact CG-CD1 4.41Å; E72-F222 HydrophobicContact CG-CE1 4.05Å; E72-F222 VanDerWaalsContact OE1-CD1 3.28Å; E72-F222 WeakPolarHBondContact OE1-CD1 3.29Å; E72-F222 PolarHBondContact OE1-N 3.13Å; C111-F222 HydrophobicContact CB-CE2 4.06Å; C111-F222 HydrophobicContact CB-CZ 3.76Å; A126-F222 HydrophobicContact CB-CE1 4.32Å; A126-F222 HydrophobicContact CB-CZ 3.6Å; I178-F222 HydrophobicContact CG1-CD2 4.15Å; I178-F222 HydrophobicContact CG2-CD2 4.27Å; I178-F222 HydrophobicContact CG2-CE2 4.06Å; Y182-F222 HydrophobicContact CD1-CB 4.22Å; Y182-F222 HydrophobicContact CD1-CD1 4.12Å; Y182-F222 AromaticContact CD1-CD2 3.44Å; Y182-F222 HydrophobicContact CD1-CD2 3.44Å; Y182-F222 VanDerWaalsContact CD1-CD2 3.44Å; Y182-F222 HydrophobicContact CD1-CE1 4.37Å; Y182-F222 AromaticContact CD1-CE2 3.72Å; Y182-F222 HydrophobicContact CD1-CE2 3.72Å; Y182-F222 AromaticContact CD1-CG 3.64Å; Y182-F222 HydrophobicContact CD1-CG 3.64Å; Y182-F222 HydrophobicContact CD1-CZ 4.17Å; Y182-F222 HydrophobicContact CD2-CB 3.97Å; Y182-F222 HydrophobicContact CD2-CD2 4.15Å; Y182-F222 HydrophobicContact CD2-CG 4.23Å; Y182-F222 HydrophobicContact CE1-CB 4.01Å; Y182-F222 AromaticContact CE1-CD1 3.83Å; Y182-F222 HydrophobicContact CE1-CD1 3.83Å; Y182-F222 AromaticContact CE1-CD2 3.97Å; Y182-F222 HydrophobicContact CE1-CD2 3.97Å; Y182-F222 HydrophobicContact CE1-CE1 4.29Å; Y182-F222 HydrophobicContact CE1-CE2 4.39Å; Y182-F222 AromaticContact CE1-CG 3.64Å; Y182-F222 HydrophobicContact CE1-CG 3.64Å; Y182-F222 HydrophobicContact CE2-CB 3.75Å; Y182-F222 HydrophobicContact CE2-CG 4.24Å; Y182-F222 HydrophobicContact CG-CB 4.21Å; Y182-F222 AromaticContact CG-CD2 3.56Å; Y182-F222 HydrophobicContact CG-CD2 3.56Å; Y182-F222 HydrophobicContact CG-CE2 4.12Å; Y182-F222 AromaticContact CG-CG 3.96Å; Y182-F222 HydrophobicContact CG-CG 3.96Å; Y182-F222 AromaticContact CZ-CG 3.95Å; F222-S224 VanDerWaalsContact C-N 3.27Å; F222-S224 PolarHBondContact O-N 2.86Å; F222-S224 VanDerWaalsContact O-N 3.13Å; F222-S225 PolarHBondContact O-N 2.76Å; F222-I226 HydrophobicContact CB-CD1 4.05Å; F222-I226 HydrophobicContact CB-CG1 4.28Å; F222-I226 WeakPolarHBondContact O-CG1 3.3Å; F222-I226 PolarHBondContact O-N 2.91Å
223	K	97.9	Very high	97.6	Very high	39 Å²	39	36.2 Å²	36.2	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-49.3	-44.2	-173.3	55.5	175.8	171.6	-79.1	0	113.7	T217 L220 L221 I226 I227 F241 L254	T217-K223 WeakPolarHBondContact O-CE 3.17Å; T217-K223 PolarHBondContact O-NZ 2.8Å; L220-K223 HydrophobicContact CB-CB 4.11Å; L220-K223 HydrophobicContact CB-CD 4.16Å; L220-K223 HydrophobicContact CB-CG 4.47Å; L220-K223 WeakPolarHBondContact O-CG 3.42Å; L220-K223 PolarHBondContact O-NZ 3.37Å; L221-K223 PolarHBondContact O-N 2.85Å; K223-I226 PolarHBondContact O-N 3.22Å; K223-I227 VanDerWaalsContact O-CG1 3.3Å; K223-I227 WeakPolarHBondContact O-CG1 3.32Å; K223-I227 PolarHBondContact O-N 2.96Å; K223-F241 HydrophobicContact CB-CE2 4.15Å; K223-F241 HydrophobicContact CB-CZ 4.12Å; K223-L254 HydrophobicContact CD-CD1 3.82Å; K223-L254 HydrophobicContact CD-CD2 4.11Å
224	S	97.3	Very high	97.5	Very high	63 Å²	63	39.5 Å²	39.5	44%	0.441	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-47.9	-179.9	-52.7	0	0	0	0	111.1	F222 I226 I227 E228	F222-S224 VanDerWaalsContact C-N 3.27Å; F222-S224 PolarHBondContact O-N 2.86Å; F222-S224 VanDerWaalsContact O-N 3.13Å; S224-I226 VanDerWaalsContact C-N 3.34Å; S224-I226 PolarHBondContact O-N 2.81Å; S224-I227 PolarHBondContact O-N 3.35Å; S224-E228 VanDerWaalsContact O-CG 3.3Å; S224-E228 WeakPolarHBondContact O-CG 3.46Å; S224-E228 PolarHBondContact O-N 2.91Å
225	S	98	Very high	97.4	Very high	30 Å²	30	46.3 Å²	46.3	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-66.6	-36.3	179	-167.1	0	0	0	0	112.3	Y182 F222 E228 K229	Y182-S225 VanDerWaalsContact OH-CB 3.26Å; Y182-S225 WeakPolarHBondContact OH-CB 3.26Å; Y182-S225 PolarHBondContact OH-OG 2.89Å; F222-S225 PolarHBondContact O-N 2.76Å; S225-E228 WeakPolarHBondContact O-CB 3.3Å; S225-E228 PolarHBondContact O-N 3.02Å; S225-K229 VanDerWaalsContact O-CG 3.25Å; S225-K229 WeakPolarHBondContact O-CG 3.06Å; S225-K229 PolarHBondContact O-N 2.8Å
226	I	98.7	Very high	97.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-48.4	173.9	-68.2	164	0	0	0	110.4	I178 Y182 L185 L210 F222 K223 S224 E228 K229 C230 C239 F241	I178-I226 HydrophobicContact CD1-CD1 4.29Å; Y182-I226 HydrophobicContact CD2-CD1 4.3Å; Y182-I226 HydrophobicContact CD2-CG1 3.85Å; Y182-I226 HydrophobicContact CE2-CG1 3.94Å; L185-I226 HydrophobicContact CD2-CB 4.5Å; L185-I226 HydrophobicContact CD2-CG1 4.06Å; L185-I226 HydrophobicContact CD2-CG2 4.28Å; L210-I226 HydrophobicContact CD2-CD1 3.84Å; L210-I226 HydrophobicContact CD2-CG1 4.34Å; L210-I226 HydrophobicContact CD2-CG2 3.74Å; F222-I226 HydrophobicContact CB-CD1 4.05Å; F222-I226 HydrophobicContact CB-CG1 4.28Å; F222-I226 WeakPolarHBondContact O-CG1 3.3Å; F222-I226 PolarHBondContact O-N 2.91Å; K223-I226 PolarHBondContact O-N 3.22Å; S224-I226 VanDerWaalsContact C-N 3.34Å; S224-I226 PolarHBondContact O-N 2.81Å; I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.19Å; I226-K229 PolarHBondContact O-N 2.84Å; I226-K229 VanDerWaalsContact O-N 3.15Å; I226-C230 PolarHBondContact O-N 3.1Å; I226-C239 HydrophobicContact CG2-CB 3.89Å; I226-F241 HydrophobicContact CB-CZ 4.14Å; I226-F241 HydrophobicContact CD1-CE1 4.24Å; I226-F241 HydrophobicContact CD1-CZ 4.48Å; I226-F241 HydrophobicContact CG2-CE1 4.11Å; I226-F241 HydrophobicContact CG2-CZ 3.81Å
227	I	98.5	Very high	97.5	Very high	32 Å²	32	41.7 Å²	41.7	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-43.9	177.1	-69.9	165.6	0	0	0	110.7	K223 S224 K229 C230 G231 F241 L254 F257	K223-I227 VanDerWaalsContact O-CG1 3.3Å; K223-I227 WeakPolarHBondContact O-CG1 3.32Å; K223-I227 PolarHBondContact O-N 2.96Å; S224-I227 PolarHBondContact O-N 3.35Å; I227-K229 VanDerWaalsContact C-N 3.27Å; I227-K229 PolarHBondContact O-N 3.15Å; I227-C230 WeakPolarHBondContact O-CB 3.26Å; I227-C230 PolarHBondContact O-N 3.43Å; I227-G231 PolarHBondContact O-N 3.13Å; I227-F241 HydrophobicContact CD1-CE2 3.96Å; I227-F241 HydrophobicContact CG1-CE2 3.92Å; I227-F241 HydrophobicContact CG1-CZ 4.34Å; I227-L254 HydrophobicContact CD1-CD2 3.5Å; I227-L254 VanDerWaalsContact CD1-CD2 3.5Å; I227-F257 HydrophobicContact CD1-CD2 3.73Å; I227-F257 HydrophobicContact CD1-CE2 4Å; I227-F257 HydrophobicContact CD1-CG 4.24Å; I227-F257 HydrophobicContact CG1-CD1 4.33Å; I227-F257 HydrophobicContact CG1-CD2 3.94Å; I227-F257 HydrophobicContact CG1-CE1 4.38Å; I227-F257 HydrophobicContact CG1-CE2 4Å; I227-F257 HydrophobicContact CG1-CG 4.11Å; I227-F257 HydrophobicContact CG1-CZ 4.23Å; I227-F257 HydrophobicContact CG2-CE1 4.45Å; I227-F257 HydrophobicContact CG2-CE2 3.79Å; I227-F257 HydrophobicContact CG2-CZ 3.73Å
228	E	98.2	Very high	97.5	Very high	124 Å²	124	44.9 Å²	44.9	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-57.5	-40.6	175.6	-73.6	165.3	-168.6	0	0	111.5	S224 S225 I226 G231 E232	S224-E228 VanDerWaalsContact O-CG 3.3Å; S224-E228 WeakPolarHBondContact O-CG 3.46Å; S224-E228 PolarHBondContact O-N 2.91Å; S225-E228 WeakPolarHBondContact O-CB 3.3Å; S225-E228 PolarHBondContact O-N 3.02Å; I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.19Å; E228-G231 CarbonylContact O-C 2.93Å; E228-G231 PolarHBondContact O-N 2.75Å; E228-E232 WeakPolarHBondContact O-CB 3.46Å; E228-E232 PolarHBondContact O-N 2.77Å
229	K	98.2	Very high	97.6	Very high	28 Å²	28	41.1 Å²	41.1	12%	0.122	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-36.8	177	-66.6	-67.7	160.9	-166.8	0	113	L186 S225 I226 I227 G231 E232 F233 F237	L186-K229 HydrophobicContact CD2-CG 4.49Å; S225-K229 VanDerWaalsContact O-CG 3.25Å; S225-K229 WeakPolarHBondContact O-CG 3.06Å; S225-K229 PolarHBondContact O-N 2.8Å; I226-K229 PolarHBondContact O-N 2.84Å; I226-K229 VanDerWaalsContact O-N 3.15Å; I227-K229 VanDerWaalsContact C-N 3.27Å; I227-K229 PolarHBondContact O-N 3.15Å; K229-G231 VanDerWaalsContact C-N 3.31Å; K229-E232 IonicContact NZ-OE2 2.67Å; K229-E232 PolarHBondContact NZ-OE2 3.03Å; K229-E232 PolarHBondContact O-N 2.77Å; K229-F233 PolarHBondContact O-N 2.89Å; K229-F237 HydrophobicContact CB-CD2 4.07Å; K229-F237 HydrophobicContact CB-CE2 4.45Å
230	C	97.9	Very high	97.7	Very high	14 Å²	14	41.3 Å²	41.3	10%	0.095	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-39.4	169.4	-68.8	0	0	0	0	111.6	I226 I227 F233 P234	I226-C230 PolarHBondContact O-N 3.1Å; I227-C230 WeakPolarHBondContact O-CB 3.26Å; I227-C230 PolarHBondContact O-N 3.43Å; C230-F233 CarbonylContact O-C 3.42Å; C230-P234 WeakPolarHBondContact O-CA 3.21Å
231	G	97.6	Very high	97.7	Very high	58 Å²	58	41.2 Å²	41.2	60%	0.598	24%	0.239	S	C	*	.	H	α-helix	trans	-69.1	-33	175.1	0	0	0	0	0	113.9	I227 E228 K229	I227-G231 PolarHBondContact O-N 3.13Å; E228-G231 CarbonylContact O-C 2.93Å; E228-G231 PolarHBondContact O-N 2.75Å; K229-G231 VanDerWaalsContact C-N 3.31Å
232	E	96.8	Very high	97.7	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-72.4	-38.3	177.1	-167.8	-173.4	159.8	0	0	112.2	R193 E228 K229 P234	R193-E232 IonicContact CZ-OE1 3.19Å; R193-E232 IonicContact CZ-OE2 2.68Å; R193-E232 IonicContact NE-OE1 2.88Å; R193-E232 PolarHBondContact NE-OE1 2.9Å; R193-E232 IonicContact NH2-OE1 3.02Å; R193-E232 PolarHBondContact NH2-OE1 3Å; R193-E232 IonicContact NH2-OE2 3.87Å; R193-E232 PolarHBondContact NH2-OE2 3.15Å; E228-E232 WeakPolarHBondContact O-CB 3.46Å; E228-E232 PolarHBondContact O-N 2.77Å; K229-E232 IonicContact NZ-OE2 2.67Å; K229-E232 PolarHBondContact NZ-OE2 3.03Å; K229-E232 PolarHBondContact O-N 2.77Å; E232-P234 VanDerWaalsContact C-CD 3.46Å; E232-P234 WeakPolarHBondContact O-CD 3.43Å
233	F	96.8	Very high	97.7	Very high	6 Å²	6	41 Å²	41	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-124.6	64.4	-179.8	-58.4	-83.3	0	0	0	112	S189 L192 R193 K229 C230 N235 N236 F237	S189-F233 WeakPolarHBondContact OG-CE2 3.39Å; L192-F233 HydrophobicContact CB-CD1 4.06Å; L192-F233 HydrophobicContact CB-CE1 3.69Å; L192-F233 HydrophobicContact CB-CZ 4.19Å; L192-F233 HydrophobicContact CD1-CB 4.43Å; L192-F233 HydrophobicContact CD1-CD1 3.88Å; L192-F233 HydrophobicContact CD1-CE1 4.33Å; L192-F233 HydrophobicContact CD1-CG 4.05Å; R193-F233 HydrophobicContact CG-CZ 3.75Å; K229-F233 PolarHBondContact O-N 2.89Å; C230-F233 CarbonylContact O-C 3.42Å; F233-N235 PolarHBondContact O-N 3.37Å; F233-N235 VanDerWaalsContact O-N 3.11Å; F233-N236 HydrophobicContact CB-CB 4.11Å; F233-N236 PolarHBondContact O-N 2.93Å; F233-F237 HydrophobicContact CB-CD2 4.21Å; F233-F237 HydrophobicContact CB-CG 4.28Å; F233-F237 HydrophobicContact CD2-CD2 4.22Å; F233-F237 HydrophobicContact CD2-CE2 4.14Å; F233-F237 PolarHBondContact O-N 3.16Å
234	P	96.3	Very high	97.7	Very high	87 Å²	87	42 Å²	42	57%	0.565	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.1	-170.4	25.9	-35.4	0	0	0	114.1	C230 E232	C230-P234 WeakPolarHBondContact O-CA 3.21Å; E232-P234 VanDerWaalsContact C-CD 3.46Å; E232-P234 WeakPolarHBondContact O-CD 3.43Å
235	N	95.2	Very high	97.6	Very high	151 Å²	151	44 Å²	44	81%	0.807	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.1	176	-64.5	-33.8	0	0	0	113.4	F233	F233-N235 PolarHBondContact O-N 3.37Å; F233-N235 VanDerWaalsContact O-N 3.11Å
236	N	96.3	Very high	97.5	Very high	41 Å²	41	44.7 Å²	44.7	22%	0.219	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-39.6	-177.5	-57.4	99.4	0	0	0	111.4	L192 G206 S207 A208 F233	L192-N236 HydrophobicContact CD1-CB 3.86Å; G206-N236 PolarHBondContact O-ND2 3.44Å; S207-N236 CarbonylContact C-O 3.55Å; S207-N236 WeakPolarHBondContact CA-O 3.34Å; S207-N236 WeakPolarHBondContact CB-O 3.45Å; A208-N236 PolarHBondContact N-O 3.17Å; F233-N236 HydrophobicContact CB-CB 4.11Å; F233-N236 PolarHBondContact O-N 2.93Å
237	F	98.2	Very high	97.2	Very high	3 Å²	3	56 Å²	56	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132	-169	-69.4	-5.1	0	0	0	112.7	L185 T188 L192 A208 K229 F233	L185-F237 HydrophobicContact CD1-CD1 4.39Å; L185-F237 HydrophobicContact CD1-CD2 3.92Å; L185-F237 HydrophobicContact CD1-CE1 4.38Å; L185-F237 HydrophobicContact CD1-CE2 3.87Å; L185-F237 HydrophobicContact CD1-CG 4.19Å; L185-F237 HydrophobicContact CD1-CZ 4.12Å; L185-F237 HydrophobicContact CG-CE2 4.36Å; T188-F237 HydrophobicContact CG2-CE1 3.57Å; T188-F237 HydrophobicContact CG2-CZ 3.59Å; L192-F237 HydrophobicContact CD1-CE1 3.78Å; L192-F237 HydrophobicContact CD1-CZ 3.77Å; A208-F237 HydrophobicContact CB-CD1 3.58Å; A208-F237 HydrophobicContact CB-CE1 3.61Å; A208-F237 WeakPolarHBondContact O-CA 3.38Å; K229-F237 HydrophobicContact CB-CD2 4.07Å; K229-F237 HydrophobicContact CB-CE2 4.45Å; F233-F237 HydrophobicContact CB-CD2 4.21Å; F233-F237 HydrophobicContact CB-CG 4.28Å; F233-F237 HydrophobicContact CD2-CD2 4.22Å; F233-F237 HydrophobicContact CD2-CE2 4.14Å; F233-F237 PolarHBondContact O-N 3.16Å
238	T	98.3	Very high	96.8	Very high	70 Å²	70	57.5 Å²	57.5	43%	0.429	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.2	171.7	51.5	0	0	0	0	109.7	A208 H209 L210	A208-T238 PolarHBondContact O-N 3.48Å; A208-T238 VanDerWaalsContact O-N 3.15Å; H209-T238 WeakPolarHBondContact CA-O 3.44Å; H209-T238 PolarHBondContact ND1-OG1 3.3Å; L210-T238 PolarHBondContact N-O 3.3Å
239	C	98.5	Very high	96.4	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.054	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.5	178.3	67.6	0	0	0	0	112.3	L210 I226	L210-C239 HydrophobicContact CB-CB 4.03Å; L210-C239 HydrophobicContact CD2-CB 4.39Å; L210-C239 CarbonylContact O-C 3.56Å; L210-C239 VanDerWaalsContact O-CA 3.25Å; L210-C239 WeakPolarHBondContact O-CA 3.37Å; I226-C239 HydrophobicContact CG2-CB 3.89Å
240	N	98.5	Very high	96.3	Very high	27 Å²	27	54.7 Å²	54.7	14%	0.144	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.9	169	-71	-42.8	0	0	0	108.9	H209 L210 C211 Y212 K259 E267	H209-N240 PolarHBondContact CE1-ND2 2.99Å; H209-N240 VanDerWaalsContact CE1-ND2 3.28Å; H209-N240 PolarHBondContact NE2-ND2 2.94Å; L210-N240 PolarHBondContact O-N 3.31Å; C211-N240 WeakPolarHBondContact CA-O 3.47Å; Y212-N240 PolarHBondContact N-O 3.39Å; N240-K259 PolarHBondContact ND2-NZ 3.12Å; N240-K259 WeakPolarHBondContact OD1-CE 3.47Å; N240-E267 WeakPolarHBondContact CB-OE1 3.32Å; N240-E267 VanDerWaalsContact ND2-CD 3.25Å; N240-E267 PolarHBondContact ND2-OE1 2.96Å
241	F	98.7	Very high	96	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.7	172.6	-58.6	-47.7	0	0	0	110.3	L210 Y212 L220 K223 I226 I227 F257 V258 K259	L210-F241 HydrophobicContact CD2-CE1 4.49Å; Y212-F241 AromaticContact CD1-CD1 3.87Å; Y212-F241 HydrophobicContact CD1-CD1 3.87Å; Y212-F241 AromaticContact CD1-CE1 3.94Å; Y212-F241 HydrophobicContact CD1-CE1 3.94Å; Y212-F241 HydrophobicContact CG-CD1 4.35Å; Y212-F241 CarbonylContact O-C 3.59Å; Y212-F241 VanDerWaalsContact O-CA 3.32Å; Y212-F241 WeakPolarHBondContact O-CA 3.34Å; L220-F241 HydrophobicContact CD1-CB 3.67Å; L220-F241 HydrophobicContact CD1-CD1 4.42Å; L220-F241 HydrophobicContact CD1-CD2 4.18Å; L220-F241 HydrophobicContact CD1-CG 3.84Å; L220-F241 HydrophobicContact CD2-CB 4Å; L220-F241 HydrophobicContact CD2-CD1 4.02Å; L220-F241 HydrophobicContact CD2-CG 4.17Å; K223-F241 HydrophobicContact CB-CE2 4.15Å; K223-F241 HydrophobicContact CB-CZ 4.12Å; I226-F241 HydrophobicContact CB-CZ 4.14Å; I226-F241 HydrophobicContact CD1-CE1 4.24Å; I226-F241 HydrophobicContact CD1-CZ 4.48Å; I226-F241 HydrophobicContact CG2-CE1 4.11Å; I226-F241 HydrophobicContact CG2-CZ 3.81Å; I227-F241 HydrophobicContact CD1-CE2 3.96Å; I227-F241 HydrophobicContact CG1-CE2 3.92Å; I227-F241 HydrophobicContact CG1-CZ 4.34Å; F241-F257 HydrophobicContact CD2-CB 3.72Å; F241-F257 HydrophobicContact CE2-CB 4Å; F241-F257 PolarHBondContact N-O 3.28Å; F241-V258 HydrophobicContact CB-CG2 4Å; F241-V258 HydrophobicContact CD2-CG2 4.18Å; F241-V258 CarbonylContact O-C 3.53Å; F241-V258 WeakPolarHBondContact O-CA 3.27Å; F241-K259 PolarHBondContact O-N 3.39Å
242	H	98.5	Very high	95.9	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.019	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.9	-179.3	-75.8	-98.4	0	0	0	110.4	Y212 S213 A214 K259 R262 I263 E267	Y212-H242 PolarHBondContact O-N 3.13Å; S213-H242 CarbonylContact C-O 3.49Å; S213-H242 VanDerWaalsContact CA-O 3.23Å; S213-H242 WeakPolarHBondContact CA-O 3.41Å; S213-H242 PolarHBondContact OG-O 3.16Å; A214-H242 PolarHBondContact N-O 3.09Å; H242-K259 WeakPolarHBondContact CA-O 3.09Å; H242-R262 PolarHBondContact ND1-O 3.35Å; H242-I263 HydrophobicContact CB-CG1 4.24Å; H242-I263 PolarHBondContact ND1-N 3.24Å; H242-E267 IonicContact CD2-OE1 3.43Å; H242-E267 IonicContact CE1-OE2 3.03Å; H242-E267 PolarHBondContact CE1-OE2 3.41Å; H242-E267 VanDerWaalsContact NE2-CD 3.27Å; H242-E267 IonicContact NE2-OE1 3.79Å; H242-E267 PolarHBondContact NE2-OE1 3.26Å; H242-E267 IonicContact NE2-OE2 2.77Å; H242-E267 PolarHBondContact NE2-OE2 3.08Å
243	V	98.3	Very high	95.7	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.5	179.1	-66.1	0	0	0	0	110.8	A214 T217 L220 Q246 V258 K259 G261	A214-V243 WeakPolarHBondContact O-CA 3.43Å; T217-V243 HydrophobicContact CG2-CG1 4.36Å; L220-V243 HydrophobicContact CD1-CG1 4.15Å; V243-Q246 HydrophobicContact CB-CB 4.06Å; V243-Q246 HydrophobicContact CG2-CB 3.63Å; V243-Q246 HydrophobicContact CG2-CG 4.24Å; V243-V258 HydrophobicContact CG1-CG1 4.14Å; V243-V258 HydrophobicContact CG2-CG1 3.66Å; V243-K259 PolarHBondContact N-O 3Å; V243-G261 PolarHBondContact O-N 3.43Å
244	T	97.1	Very high	95.6	Very high	59 Å²	59	62.8 Å²	62.8	36%	0.362	35%	0.349	S	S	.	.	S	Bend	trans	-97.5	-17.3	-171.8	52.5	0	0	0	0	114.4	A214 K215 G261 R262	A214-T244 PolarHBondContact O-N 2.95Å; A214-T244 VanDerWaalsContact O-N 3.1Å; A214-T244 PolarHBondContact O-OG1 3.05Å; K215-T244 PolarHBondContact O-N 2.79Å; T244-G261 WeakPolarHBondContact CG2-O 3.2Å; T244-R262 HydrophobicContact CG2-CG 4.07Å
245	Q	96.3	Very high	95.6	Very high	107 Å²	107	63.6 Å²	63.6	50%	0.5	35%	0.345	S	S	.	.	S	Bend	trans	-144.6	40.5	-177.3	-55	-177.5	22	0	0	111.4	K215 R247	K215-Q245 HydrophobicContact CG-CB 3.79Å; K215-Q245 HydrophobicContact CG-CG 4.21Å; K215-Q245 CarbonylContact O-C 3.54Å; K215-Q245 VanDerWaalsContact O-C 3.27Å; K215-Q245 WeakPolarHBondContact O-CA 3.24Å; K215-Q245 PolarHBondContact O-N 3.31Å; Q245-R247 PolarHBondContact O-N 3.38Å
246	Q	95.9	Very high	95.7	Very high	44 Å²	44	61.3 Å²	61.3	21%	0.206	34%	0.338	C	S	.	.			trans	-68.7	124	175.5	-172.8	65.5	25.3	0	0	110.2	T217 V243 A248 V250	T217-Q246 PolarHBondContact OG1-NE2 3Å; T217-Q246 PolarHBondContact OG1-OE1 3.42Å; V243-Q246 HydrophobicContact CB-CB 4.06Å; V243-Q246 HydrophobicContact CG2-CB 3.63Å; V243-Q246 HydrophobicContact CG2-CG 4.24Å; Q246-A248 VanDerWaalsContact CG-O 3.3Å; Q246-A248 WeakPolarHBondContact CG-O 3.47Å; Q246-A248 PolarHBondContact NE2-O 3.37Å; Q246-V250 HydrophobicContact CG-CG2 3.91Å
247	R	91.8	Very high	95.7	Very high	238 Å²	238	61.9 Å²	61.9	90%	0.898	34%	0.339	S	S	*	.			trans	-111.6	-39.9	177.5	-64.2	-177.3	-178.6	-175.9	-1.5	112.7	Q245	Q245-R247 PolarHBondContact O-N 3.38Å
248	A	90.4	Very high	95.7	Very high	63 Å²	63	62.7 Å²	62.7	52%	0.521	34%	0.344	S	S	.	.	S	Bend	trans	-79.2	161.2	175.4	0	0	0	0	0	110.8	Q246	Q246-A248 VanDerWaalsContact CG-O 3.3Å; Q246-A248 WeakPolarHBondContact CG-O 3.47Å; Q246-A248 PolarHBondContact NE2-O 3.37Å
249	G	90.2	Very high	95.7	Very high	70 Å²	70	63.4 Å²	63.4	72%	0.722	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58.8	143.8	170.4	0	0	0	0	0	111.2
250	V	94.2	Very high	95.6	Very high	24 Å²	24	68.4 Å²	68.4	15%	0.145	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-80.2	133	172.2	172.9	0	0	0	0	108.4	T217 Q246 L254 Q255 V258	T217-V250 HydrophobicContact CG2-CB 4.49Å; T217-V250 HydrophobicContact CG2-CG1 4.11Å; T217-V250 HydrophobicContact CG2-CG2 3.98Å; Q246-V250 HydrophobicContact CG-CG2 3.91Å; V250-L254 HydrophobicContact CG1-CB 3.78Å; V250-Q255 HydrophobicContact CG1-CG 4.21Å; V250-Q255 PolarHBondContact O-NE2 3.16Å; V250-V258 HydrophobicContact CG1-CB 4.09Å; V250-V258 HydrophobicContact CG1-CG1 4.3Å; V250-V258 HydrophobicContact CG1-CG2 4.06Å; V250-V258 HydrophobicContact CG2-CG1 4.08Å
251	E	93.4	Very high	95.5	Very high	101 Å²	101	68.4 Å²	68.4	47%	0.472	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-57.1	139.7	179.7	-62.6	-176.6	97.1	0	0	111.2	H253 L254 Q255	E251-H253 PolarHBondContact O-N 2.77Å; E251-H253 VanDerWaalsContact O-N 3.08Å; E251-H253 IonicContact OE1-CE1 2.82Å; E251-H253 IonicContact OE2-CE1 2.76Å; E251-H253 PolarHBondContact OE2-CE1 2.8Å; E251-L254 HydrophobicContact CB-CD1 4.31Å; E251-L254 HydrophobicContact CB-CG 4.37Å; E251-L254 PolarHBondContact O-N 2.86Å; E251-Q255 PolarHBondContact O-N 3.11Å
252	P	94.3	Very high	95.4	Very high	115 Å²	115	78.1 Å²	78.1	75%	0.747	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.6	-172.7	-30	35.6	0	0	0	114.8	L254 Q255	P252-L254 VanDerWaalsContact C-N 3.26Å; P252-L254 PolarHBondContact O-N 2.77Å; P252-Q255 WeakPolarHBondContact O-CB 3.29Å; P252-Q255 PolarHBondContact O-N 3.14Å
253	H	93.2	Very high	95.4	Very high	104 Å²	104	79.1 Å²	79.1	48%	0.481	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.9	-179.6	73.5	-86.6	0	0	0	113.6	E251	E251-H253 PolarHBondContact O-N 2.77Å; E251-H253 VanDerWaalsContact O-N 3.08Å; E251-H253 IonicContact OE1-CE1 2.82Å; E251-H253 IonicContact OE2-CE1 2.76Å; E251-H253 PolarHBondContact OE2-CE1 2.8Å
254	L	95.3	Very high	95.3	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-22.3	177	-61.5	179.7	0	0	0	112.8	T217 K223 I227 V250 E251 P252 P256 F257 V258	T217-L254 HydrophobicContact CG2-CD1 4.19Å; K223-L254 HydrophobicContact CD-CD1 3.82Å; K223-L254 HydrophobicContact CD-CD2 4.11Å; I227-L254 HydrophobicContact CD1-CD2 3.5Å; I227-L254 VanDerWaalsContact CD1-CD2 3.5Å; V250-L254 HydrophobicContact CG1-CB 3.78Å; E251-L254 HydrophobicContact CB-CD1 4.31Å; E251-L254 HydrophobicContact CB-CG 4.37Å; E251-L254 PolarHBondContact O-N 2.86Å; P252-L254 VanDerWaalsContact C-N 3.26Å; P252-L254 PolarHBondContact O-N 2.77Å; L254-P256 VanDerWaalsContact C-N 3.32Å; L254-F257 PolarHBondContact O-N 2.9Å; L254-V258 HydrophobicContact CB-CG2 3.99Å; L254-V258 WeakPolarHBondContact O-CG2 3.43Å; L254-V258 PolarHBondContact O-N 3.28Å; L254-V258 VanDerWaalsContact O-N 3.1Å
255	Q	94.9	Very high	95.3	Very high	104 Å²	104	80.9 Å²	80.9	49%	0.486	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-42.1	-176.7	-69.3	-78.7	-3.9	0	0	114.3	V250 E251 P252 F257 V258	V250-Q255 HydrophobicContact CG1-CG 4.21Å; V250-Q255 PolarHBondContact O-NE2 3.16Å; E251-Q255 PolarHBondContact O-N 3.11Å; P252-Q255 WeakPolarHBondContact O-CB 3.29Å; P252-Q255 PolarHBondContact O-N 3.14Å; Q255-F257 PolarHBondContact O-N 2.89Å; Q255-F257 VanDerWaalsContact O-N 3.17Å; Q255-V258 PolarHBondContact O-N 3.48Å
256	P	96.8	Very high	95.4	Very high	103 Å²	103	81.9 Å²	81.9	67%	0.669	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.8	179.7	-22.5	35.1	0	0	0	114.2	L254	L254-P256 VanDerWaalsContact C-N 3.32Å
257	F	97.5	Very high	95.4	Very high	52 Å²	52	80.3 Å²	80.3	23%	0.228	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-18.2	-174.4	-54.4	-81.3	0	0	0	112.6	I227 F241 L254 Q255	I227-F257 HydrophobicContact CD1-CD2 3.73Å; I227-F257 HydrophobicContact CD1-CE2 4Å; I227-F257 HydrophobicContact CD1-CG 4.24Å; I227-F257 HydrophobicContact CG1-CD1 4.33Å; I227-F257 HydrophobicContact CG1-CD2 3.94Å; I227-F257 HydrophobicContact CG1-CE1 4.38Å; I227-F257 HydrophobicContact CG1-CE2 4Å; I227-F257 HydrophobicContact CG1-CG 4.11Å; I227-F257 HydrophobicContact CG1-CZ 4.23Å; I227-F257 HydrophobicContact CG2-CE1 4.45Å; I227-F257 HydrophobicContact CG2-CE2 3.79Å; I227-F257 HydrophobicContact CG2-CZ 3.73Å; F241-F257 HydrophobicContact CD2-CB 3.72Å; F241-F257 HydrophobicContact CE2-CB 4Å; F241-F257 PolarHBondContact N-O 3.28Å; L254-F257 PolarHBondContact O-N 2.9Å; Q255-F257 PolarHBondContact O-N 2.89Å; Q255-F257 VanDerWaalsContact O-N 3.17Å
258	V	97.9	Very high	95.6	Very high	21 Å²	21	69.1 Å²	69.1	13%	0.127	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	-171	176.8	0	0	0	0	111.4	T217 L220 F241 V243 V250 L254 Q255	T217-V258 HydrophobicContact CG2-CG2 4.41Å; L220-V258 HydrophobicContact CD1-CG2 4.4Å; F241-V258 HydrophobicContact CB-CG2 4Å; F241-V258 HydrophobicContact CD2-CG2 4.18Å; F241-V258 CarbonylContact O-C 3.53Å; F241-V258 WeakPolarHBondContact O-CA 3.27Å; V243-V258 HydrophobicContact CG1-CG1 4.14Å; V243-V258 HydrophobicContact CG2-CG1 3.66Å; V250-V258 HydrophobicContact CG1-CB 4.09Å; V250-V258 HydrophobicContact CG1-CG1 4.3Å; V250-V258 HydrophobicContact CG1-CG2 4.06Å; V250-V258 HydrophobicContact CG2-CG1 4.08Å; L254-V258 HydrophobicContact CB-CG2 3.99Å; L254-V258 WeakPolarHBondContact O-CG2 3.43Å; L254-V258 PolarHBondContact O-N 3.28Å; L254-V258 VanDerWaalsContact O-N 3.1Å; Q255-V258 PolarHBondContact O-N 3.48Å
259	K	97.4	Very high	96	Very high	84 Å²	84	71.8 Å²	71.8	37%	0.365	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.1	172.1	-58.7	-178.7	-171.2	175	0	109.8	N240 F241 H242 V243 E267	N240-K259 PolarHBondContact ND2-NZ 3.12Å; N240-K259 WeakPolarHBondContact OD1-CE 3.47Å; F241-K259 PolarHBondContact O-N 3.39Å; H242-K259 WeakPolarHBondContact CA-O 3.09Å; V243-K259 PolarHBondContact N-O 3Å; K259-E267 IonicContact NZ-OE2 3.89Å; K259-E267 PolarHBondContact NZ-OE2 3.06Å
260	S	96.8	Very high	96.3	Very high	113 Å²	113	72.3 Å²	72.3	79%	0.79	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.2	173.1	-173.7	0	0	0	0	110.3
261	G	96.4	Very high	96.3	Very high	27 Å²	27	73.6 Å²	73.6	28%	0.278	40%	0.4	S	S	.	.	S	Bend	trans	107.9	-156.7	177	0	0	0	0	0	113.7	V243 T244	V243-G261 PolarHBondContact O-N 3.43Å; T244-G261 WeakPolarHBondContact CG2-O 3.2Å
262	R	96.9	Very high	96.5	Very high	204 Å²	204	69.9 Å²	69.9	77%	0.77	38%	0.384	S	S	*	.	S	Bend	trans	-99	157.3	179.1	-68.2	-174.1	173.6	96.2	-0.6	109.8	H242 T244 T264	H242-R262 PolarHBondContact ND1-O 3.35Å; T244-R262 HydrophobicContact CG2-CG 4.07Å; R262-T264 WeakPolarHBondContact O-CG2 3.42Å; R262-T264 PolarHBondContact O-N 3.36Å
263	I	97.7	Very high	96.6	Very high	26 Å²	26	66.4 Å²	66.4	13%	0.133	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-53.7	129	170	-57.9	166.1	0	0	0	108.8	V172 C211 H242 L268	V172-I263 HydrophobicContact CG1-CD1 3.82Å; C211-I263 HydrophobicContact CB-CD1 3.71Å; C211-I263 HydrophobicContact CB-CG1 4.09Å; C211-I263 HydrophobicContact CB-CG2 4.12Å; H242-I263 HydrophobicContact CB-CG1 4.24Å; H242-I263 PolarHBondContact ND1-N 3.24Å; I263-L268 HydrophobicContact CG2-CD1 4.45Å; I263-L268 HydrophobicContact CG2-CD2 4.02Å; I263-L268 HydrophobicContact CG2-CG 4.04Å
264	T	97.1	Very high	96.7	Very high	60 Å²	60	63.7 Å²	63.7	37%	0.368	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-100.2	161	-174.1	83.3	0	0	0	0	111.9	R262 E266 E267 L268	R262-T264 WeakPolarHBondContact O-CG2 3.42Å; R262-T264 PolarHBondContact O-N 3.36Å; T264-E266 VanDerWaalsContact C-N 3.3Å; T264-E266 WeakPolarHBondContact CB-OE2 3.28Å; T264-E266 PolarHBondContact O-N 3.43Å; T264-E266 PolarHBondContact OG1-OE2 3.38Å; T264-E267 PolarHBondContact O-N 2.94Å; T264-E267 PolarHBondContact OG1-N 2.87Å; T264-L268 WeakPolarHBondContact O-CG 3.39Å; T264-L268 PolarHBondContact O-N 2.82Å
265	A	97.4	Very high	96.6	Very high	38 Å²	38	71.9 Å²	71.9	31%	0.314	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-36.5	178.5	0	0	0	0	0	111.5	E267 L268 Q269 T294 F298	A265-E267 VanDerWaalsContact C-N 3.33Å; A265-E267 PolarHBondContact O-N 3.43Å; A265-L268 PolarHBondContact O-N 3.29Å; A265-Q269 WeakPolarHBondContact O-CB 3.32Å; A265-Q269 PolarHBondContact O-N 2.87Å; A265-T294 HydrophobicContact CB-CG2 3.93Å; A265-F298 HydrophobicContact CB-CZ 4.09Å; A265-F298 WeakPolarHBondContact O-CE2 3.44Å; A265-F298 WeakPolarHBondContact O-CZ 3.5Å
266	E	97.1	Very high	96.6	Very high	128 Å²	128	72.7 Å²	72.7	60%	0.598	39%	0.388	S	S	*	.	H	α-helix	trans	-63.9	-39.8	179.2	-56.6	71.4	-153	0	0	111.2	T264 Q269 A270	T264-E266 VanDerWaalsContact C-N 3.3Å; T264-E266 WeakPolarHBondContact CB-OE2 3.28Å; T264-E266 PolarHBondContact O-N 3.43Å; T264-E266 PolarHBondContact OG1-OE2 3.38Å; E266-Q269 PolarHBondContact O-N 2.71Å; E266-A270 WeakPolarHBondContact O-CB 3.07Å; E266-A270 PolarHBondContact O-N 3.04Å
267	E	96.1	Very high	96.7	Very high	11 Å²	11	67.9 Å²	67.9	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-65.8	-42.3	175.5	-177.1	171.6	147.9	0	0	111.9	H209 C211 N240 H242 K259 T264 A265 A270 N271	H209-E267 IonicContact NE2-OE1 3.2Å; C211-E267 PolarHBondContact SG-OE1 2.94Å; N240-E267 WeakPolarHBondContact CB-OE1 3.32Å; N240-E267 VanDerWaalsContact ND2-CD 3.25Å; N240-E267 PolarHBondContact ND2-OE1 2.96Å; H242-E267 IonicContact CD2-OE1 3.43Å; H242-E267 IonicContact CE1-OE2 3.03Å; H242-E267 PolarHBondContact CE1-OE2 3.41Å; H242-E267 VanDerWaalsContact NE2-CD 3.27Å; H242-E267 IonicContact NE2-OE1 3.79Å; H242-E267 PolarHBondContact NE2-OE1 3.26Å; H242-E267 IonicContact NE2-OE2 2.77Å; H242-E267 PolarHBondContact NE2-OE2 3.08Å; K259-E267 IonicContact NZ-OE2 3.89Å; K259-E267 PolarHBondContact NZ-OE2 3.06Å; T264-E267 PolarHBondContact O-N 2.94Å; T264-E267 PolarHBondContact OG1-N 2.87Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-E267 PolarHBondContact O-N 3.43Å; E267-A270 PolarHBondContact O-N 3.29Å; E267-N271 PolarHBondContact O-ND2 2.88Å
268	L	97.6	Very high	96.7	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-42.7	175.4	-65.9	170.6	0	0	0	111.2	L170 V172 I263 T264 A265 A270 N271 V272 V291 T294 L295 F298	L170-L268 HydrophobicContact CD2-CD2 4.12Å; V172-L268 HydrophobicContact CG2-CD2 4.07Å; I263-L268 HydrophobicContact CG2-CD1 4.45Å; I263-L268 HydrophobicContact CG2-CD2 4.02Å; I263-L268 HydrophobicContact CG2-CG 4.04Å; T264-L268 WeakPolarHBondContact O-CG 3.39Å; T264-L268 PolarHBondContact O-N 2.82Å; A265-L268 PolarHBondContact O-N 3.29Å; L268-A270 VanDerWaalsContact C-N 3.32Å; L268-A270 PolarHBondContact O-N 3.44Å; L268-N271 CarbonylContact O-C 3.5Å; L268-N271 PolarHBondContact O-N 3.06Å; L268-N271 VanDerWaalsContact O-N 3.15Å; L268-V272 PolarHBondContact O-N 3.39Å; L268-V291 HydrophobicContact CD1-CB 4.45Å; L268-V291 HydrophobicContact CD1-CG1 3.82Å; L268-V291 HydrophobicContact CD1-CG2 4.26Å; L268-V291 HydrophobicContact CD2-CG1 4.08Å; L268-T294 HydrophobicContact CD1-CG2 3.99Å; L268-L295 HydrophobicContact CB-CD2 4.31Å; L268-L295 HydrophobicContact CD2-CD2 4.5Å; L268-F298 HydrophobicContact CB-CE2 4.11Å
269	Q	97.4	Very high	96.7	Very high	118 Å²	118	65.9 Å²	65.9	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-61.7	-40.2	179.2	-167	175	24.5	0	0	111.9	A265 E266 N271 V272 F298	A265-Q269 WeakPolarHBondContact O-CB 3.32Å; A265-Q269 PolarHBondContact O-N 2.87Å; E266-Q269 PolarHBondContact O-N 2.71Å; Q269-N271 PolarHBondContact O-N 3.11Å; Q269-V272 PolarHBondContact O-N 3.06Å; Q269-F298 HydrophobicContact CB-CD2 4.12Å; Q269-F298 HydrophobicContact CB-CE1 4.37Å; Q269-F298 HydrophobicContact CB-CE2 3.59Å; Q269-F298 HydrophobicContact CB-CZ 3.73Å; Q269-F298 HydrophobicContact CG-CD2 4.42Å; Q269-F298 HydrophobicContact CG-CE1 4.35Å; Q269-F298 HydrophobicContact CG-CE2 4.24Å; Q269-F298 HydrophobicContact CG-CZ 4.19Å
270	A	96.4	Very high	96.8	Very high	81 Å²	81	62.2 Å²	62.2	67%	0.669	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-17.5	178.7	0	0	0	0	0	113.8	E266 E267 L268	E266-A270 WeakPolarHBondContact O-CB 3.07Å; E266-A270 PolarHBondContact O-N 3.04Å; E267-A270 PolarHBondContact O-N 3.29Å; L268-A270 VanDerWaalsContact C-N 3.32Å; L268-A270 PolarHBondContact O-N 3.44Å
271	N	95.6	Very high	96.9	Very high	51 Å²	51	56.9 Å²	56.9	27%	0.273	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	15.8	-175.1	-64	-80.8	0	0	0	113	L170 H209 E267 L268 Q269	L170-N271 HydrophobicContact CD1-CB 4.19Å; H209-N271 HydrophobicContact CB-CB 4.13Å; H209-N271 PolarHBondContact CD2-ND2 3.37Å; H209-N271 VanDerWaalsContact CG-CG 3.48Å; H209-N271 VanDerWaalsContact CG-OD1 3.22Å; H209-N271 PolarHBondContact ND1-OD1 3.04Å; H209-N271 PolarHBondContact NE2-ND2 3.5Å; E267-N271 PolarHBondContact O-ND2 2.88Å; L268-N271 CarbonylContact O-C 3.5Å; L268-N271 PolarHBondContact O-N 3.06Å; L268-N271 VanDerWaalsContact O-N 3.15Å; Q269-N271 PolarHBondContact O-N 3.11Å
272	V	96.4	Very high	96.9	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.139	28%	0.28	C	S	.	.			trans	-115.1	128.8	174.3	137.3	0	0	0	0	110.4	L170 L268 Q269 P274 T277 L295 F298 L300	L170-V272 HydrophobicContact CD2-CG2 3.88Å; L268-V272 PolarHBondContact O-N 3.39Å; Q269-V272 PolarHBondContact O-N 3.06Å; V272-P274 HydrophobicContact CG1-CG 4.29Å; V272-T277 HydrophobicContact CG2-CG2 4Å; V272-L295 HydrophobicContact CG2-CD2 3.56Å; V272-F298 HydrophobicContact CG1-CB 4.29Å; V272-L300 HydrophobicContact CG2-CD2 4.16Å
273	D	96.2	Very high	96.9	Very high	42 Å²	42	46.2 Å²	46.2	23%	0.225	25%	0.247	C	C	.	.			trans	-120	112.7	157.5	173.4	-19.5	0	0	0	107.4	Q275 R276 T277	D273-Q275 PolarHBondContact O-N 2.72Å; D273-Q275 WeakPolarHBondContact OD1-CB 3.28Å; D273-Q275 PolarHBondContact OD1-N 2.89Å; D273-R276 HydrophobicContact CB-CG 3.61Å; D273-R276 PolarHBondContact O-N 2.89Å; D273-R276 WeakPolarHBondContact OD2-CD 3.37Å; D273-R276 IonicContact OD2-CZ 3.18Å; D273-R276 IonicContact OD2-NE 2.67Å; D273-R276 PolarHBondContact OD2-NE 3.23Å; D273-R276 IonicContact OD2-NH2 3.06Å; D273-R276 PolarHBondContact OD2-NH2 3.22Å; D273-T277 PolarHBondContact N-OG1 2.97Å; D273-T277 WeakPolarHBondContact O-CB 3.45Å; D273-T277 PolarHBondContact O-N 3.26Å; D273-T277 PolarHBondContact O-OG1 3.42Å; D273-T277 VanDerWaalsContact O-OG1 3.13Å
274	P	95.1	Very high	96.7	Very high	47 Å²	47	48.1 Å²	48.1	31%	0.305	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.5	-178.3	-30.9	37.8	0	0	0	115.2	V272 F298 R304	V272-P274 HydrophobicContact CG1-CG 4.29Å; P274-F298 WeakPolarHBondContact CG-O 3.33Å; P274-R304 PolarHBondContact O-NH1 2.94Å
275	Q	93.8	Very high	96.5	Very high	173 Å²	173	47.9 Å²	47.9	81%	0.808	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-21.5	-177.1	-60.4	-174	8.2	0	0	113.8	D273 R304	D273-Q275 PolarHBondContact O-N 2.72Å; D273-Q275 WeakPolarHBondContact OD1-CB 3.28Å; D273-Q275 PolarHBondContact OD1-N 2.89Å; Q275-R304 PolarHBondContact O-NH1 3.46Å
276	R	95.3	Very high	96.4	Very high	120 Å²	120	50.5 Å²	50.5	45%	0.453	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-16.4	-176.7	68.3	-174.5	73.7	179.2	16.2	116	D168 D273 R304	D168-R276 HydrophobicContact CB-CG 4.24Å; D168-R276 PolarHBondContact N-O 3.34Å; D168-R276 VanDerWaalsContact N-O 3.09Å; D168-R276 WeakPolarHBondContact OD2-CD 3.35Å; D168-R276 VanDerWaalsContact OD2-CG 3.3Å; D168-R276 WeakPolarHBondContact OD2-CG 3.27Å; D273-R276 HydrophobicContact CB-CG 3.61Å; D273-R276 PolarHBondContact O-N 2.89Å; D273-R276 WeakPolarHBondContact OD2-CD 3.37Å; D273-R276 IonicContact OD2-CZ 3.18Å; D273-R276 IonicContact OD2-NE 2.67Å; D273-R276 PolarHBondContact OD2-NE 3.23Å; D273-R276 IonicContact OD2-NH2 3.06Å; D273-R276 PolarHBondContact OD2-NH2 3.22Å; R276-R304 VanDerWaalsContact C-CZ 3.49Å; R276-R304 VanDerWaalsContact CA-NH1 3.33Å; R276-R304 PolarHBondContact O-NH2 2.8Å
277	T	98.1	Very high	96.3	Very high	2 Å²	2	46 Å²	46	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.6	-175.9	-59.4	0	0	0	0	112.3	D168 L170 V272 D273 L300 R304	D168-T277 CarbonylContact O-C 3.47Å; D168-T277 VanDerWaalsContact O-CA 3.26Å; D168-T277 WeakPolarHBondContact O-CA 3.28Å; L170-T277 HydrophobicContact CB-CG2 3.71Å; V272-T277 HydrophobicContact CG2-CG2 4Å; D273-T277 PolarHBondContact N-OG1 2.97Å; D273-T277 WeakPolarHBondContact O-CB 3.45Å; D273-T277 PolarHBondContact O-N 3.26Å; D273-T277 PolarHBondContact O-OG1 3.42Å; D273-T277 VanDerWaalsContact O-OG1 3.13Å; T277-L300 WeakPolarHBondContact O-CD1 3.29Å; T277-R304 PolarHBondContact O-NE 2.9Å; T277-R304 PolarHBondContact O-NH2 2.95Å
278	L	98.3	Very high	96.3	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.162	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116	166.8	-170.1	62.4	0	0	0	108	F158 V167 D168 L169 L170 Y280 R304 L306	F158-L278 HydrophobicContact CD2-CD2 4.37Å; V167-L278 HydrophobicContact CG2-CB 3.61Å; V167-L278 HydrophobicContact CG2-CD2 4.29Å; D168-L278 PolarHBondContact O-N 3.38Å; L169-L278 WeakPolarHBondContact CA-O 3.37Å; L169-L278 HydrophobicContact CD2-CB 4.19Å; L170-L278 PolarHBondContact N-O 3.24Å; L278-Y280 HydrophobicContact CD2-CE2 3.6Å; L278-Y280 WeakPolarHBondContact CD2-OH 3.49Å; L278-Y280 HydrophobicContact CG-CD2 4.4Å; L278-Y280 HydrophobicContact CG-CE2 3.71Å; L278-R304 HydrophobicContact CD1-CB 4.16Å; L278-L306 HydrophobicContact CD1-CD1 3.35Å; L278-L306 HydrophobicContact CD2-CD1 4.48Å; L278-L306 HydrophobicContact CG-CD1 3.88Å
279	C	98.6	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	-177	-172.7	0	0	0	0	111.1	L170 L295 L300 R304 L306	L170-C279 HydrophobicContact CB-CB 4.28Å; L170-C279 CarbonylContact O-C 3.55Å; L170-C279 VanDerWaalsContact O-CA 3.25Å; L170-C279 WeakPolarHBondContact O-CA 3.35Å; L170-C279 PolarHBondContact O-SG 3.23Å; C279-L295 HydrophobicContact CB-CD1 4.04Å; C279-L295 WeakPolarHBondContact SG-CD1 3.3Å; C279-L300 HydrophobicContact CB-CD2 3.97Å; C279-R304 PolarHBondContact N-O 3.41Å; C279-L306 PolarHBondContact O-N 2.86Å
280	Y	98.8	Very high	96.2	Very high	8 Å²	8	47.8 Å²	47.8	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.7	172.1	-71.6	-91.1	0	0	0	109.5	F156 Y157 F158 L169 L170 L171 V172 L181 I184 L278 L306	F156-Y280 HydrophobicContact CD2-CD1 4.09Å; F156-Y280 HydrophobicContact CE1-CD1 4.17Å; F156-Y280 AromaticContact CE2-CD1 3.59Å; F156-Y280 HydrophobicContact CE2-CD1 3.59Å; F156-Y280 HydrophobicContact CE2-CG 4.34Å; F156-Y280 AromaticContact CZ-CD1 3.66Å; F156-Y280 HydrophobicContact CZ-CD1 3.66Å; F156-Y280 HydrophobicContact CZ-CG 4.19Å; Y157-Y280 WeakPolarHBondContact O-CE1 3.47Å; Y157-Y280 PolarHBondContact O-OH 3.35Å; F158-Y280 WeakPolarHBondContact CA-OH 3.17Å; F158-Y280 HydrophobicContact CB-CE2 4.19Å; F158-Y280 HydrophobicContact CD2-CE2 4.13Å; F158-Y280 HydrophobicContact CG-CE2 4.49Å; L169-Y280 HydrophobicContact CD2-CD2 4.39Å; L169-Y280 HydrophobicContact CD2-CE2 4.04Å; L170-Y280 PolarHBondContact O-N 2.79Å; L171-Y280 HydrophobicContact CD2-CD2 4.11Å; L171-Y280 HydrophobicContact CD2-CG 4.38Å; V172-Y280 PolarHBondContact N-O 2.77Å; L181-Y280 WeakPolarHBondContact CD1-O 3.44Å; I184-Y280 HydrophobicContact CD1-CD1 3.66Å; I184-Y280 HydrophobicContact CD1-CD2 4.36Å; I184-Y280 HydrophobicContact CD1-CE1 3.99Å; I184-Y280 HydrophobicContact CD1-CG 3.87Å; L278-Y280 HydrophobicContact CD2-CE2 3.6Å; L278-Y280 WeakPolarHBondContact CD2-OH 3.49Å; L278-Y280 HydrophobicContact CG-CD2 4.4Å; L278-Y280 HydrophobicContact CG-CE2 3.71Å; Y280-L306 WeakPolarHBondContact CA-O 3.33Å; Y280-L306 HydrophobicContact CD1-CB 4Å; Y280-L306 HydrophobicContact CE1-CB 4.15Å; Y280-L306 HydrophobicContact CE1-CD1 4.27Å; Y280-L306 HydrophobicContact CE1-CD2 3.99Å; Y280-L306 HydrophobicContact CE1-CG 4.37Å
281	L	98.3	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.7	-174.2	-72	146.3	0	0	0	110.7	V172 V291 L295 I305 L306 F307 E308	V172-L281 HydrophobicContact CB-CD2 3.46Å; V172-L281 VanDerWaalsContact CB-CD2 3.46Å; V172-L281 HydrophobicContact CB-CG 4.27Å; V172-L281 HydrophobicContact CG1-CD2 3.66Å; V172-L281 HydrophobicContact CG2-CD2 4.05Å; V172-L281 WeakPolarHBondContact O-CA 3.41Å; L281-V291 HydrophobicContact CD2-CB 3.76Å; L281-V291 HydrophobicContact CD2-CG1 3.35Å; L281-L295 HydrophobicContact CD1-CD1 4.19Å; L281-I305 HydrophobicContact CD1-CG2 3.33Å; L281-L306 PolarHBondContact N-O 2.81Å; L281-F307 HydrophobicContact CB-CB 3.82Å; L281-F307 CarbonylContact O-C 3.51Å; L281-F307 WeakPolarHBondContact O-CA 3.49Å; L281-F307 WeakPolarHBondContact O-CB 3.31Å; L281-E308 PolarHBondContact O-N 2.79Å
282	C	97.9	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	127.5	175	-173.1	0	0	0	0	111.4	F156 V172 A173 G174 G177 P180 L181 W310	F156-C282 HydrophobicContact CE1-CB 4.44Å; F156-C282 HydrophobicContact CZ-CB 4.32Å; V172-C282 PolarHBondContact O-N 3.02Å; A173-C282 CarbonylContact C-O 3.48Å; A173-C282 WeakPolarHBondContact CA-O 3.5Å; G174-C282 PolarHBondContact N-O 3.16Å; G177-C282 WeakPolarHBondContact CA-O 3.24Å; G177-C282 WeakPolarHBondContact CA-SG 3.23Å; G177-C282 VanDerWaalsContact O-CB 3.27Å; G177-C282 WeakPolarHBondContact O-CB 3.39Å; P180-C282 HydrophobicContact CG-CB 3.97Å; L181-C282 HydrophobicContact CD2-CB 4.45Å; L181-C282 HydrophobicContact CG-CB 4.38Å; C282-W310 VanDerWaalsContact SG-CD1 3.54Å
283	G	95.6	Very high	96.4	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-159.3	-176.5	0	0	0	0	0	113.2	G174 I288	G174-G283 WeakPolarHBondContact O-CA 3.44Å; G283-I288 WeakPolarHBondContact O-CD1 3.5Å
284	P	93.7	Very high	96.6	Very high	67 Å²	67	46.8 Å²	46.8	44%	0.435	25%	0.251	S	S	.	.			trans	-60.8	141.9	-177.8	-24.7	34.9	0	0	0	112.6	P286 M287 I288	P284-P286 VanDerWaalsContact C-CD 3.47Å; P284-M287 WeakPolarHBondContact O-CB 3.49Å; P284-M287 PolarHBondContact O-N 2.89Å; P284-I288 PolarHBondContact O-N 3.25Å; P284-I288 VanDerWaalsContact O-N 3.16Å
285	P	93.3	Very high	96.7	Very high	54 Å²	54	44.6 Å²	44.6	35%	0.351	24%	0.237	S	C	.	.	H	α-helix	trans	-51.8	-42.4	-178.4	-26.1	32.5	0	0	0	115.3	M287 I288 E289	P285-M287 VanDerWaalsContact C-N 3.26Å; P285-M287 PolarHBondContact O-N 3.17Å; P285-I288 PolarHBondContact O-N 2.76Å; P285-E289 WeakPolarHBondContact O-CG 3.43Å; P285-E289 PolarHBondContact O-N 2.93Å
286	P	94.2	Very high	96.9	Very high	93 Å²	93	40.5 Å²	40.5	60%	0.604	22%	0.219	S	C	*	.	H	α-helix	trans	-62.3	-32.4	177.7	-24.2	35.3	0	0	0	113.7	P284 A290	P284-P286 VanDerWaalsContact C-CD 3.47Å; P286-A290 VanDerWaalsContact O-CB 3.3Å; P286-A290 WeakPolarHBondContact O-CB 3.39Å; P286-A290 PolarHBondContact O-N 2.79Å; P286-A290 VanDerWaalsContact O-N 3.13Å
287	M	95.3	Very high	97	Very high	34 Å²	34	39.6 Å²	39.6	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-47.5	176.2	-176	-166.6	80.4	0	0	110.4	V172 P284 P285 E289 A290 V291	V172-M287 HydrophobicContact CG1-CE 4.37Å; P284-M287 WeakPolarHBondContact O-CB 3.49Å; P284-M287 PolarHBondContact O-N 2.89Å; P285-M287 VanDerWaalsContact C-N 3.26Å; P285-M287 PolarHBondContact O-N 3.17Å; M287-E289 VanDerWaalsContact C-N 3.32Å; M287-E289 PolarHBondContact O-N 2.74Å; M287-A290 PolarHBondContact O-N 3.15Å; M287-V291 HydrophobicContact CG-CG2 4.32Å; M287-V291 WeakPolarHBondContact O-CB 3.48Å; M287-V291 WeakPolarHBondContact O-CG2 3.36Å; M287-V291 PolarHBondContact O-N 3.1Å
288	I	96.2	Very high	97	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-46.4	179.1	-68.1	170.2	0	0	0	110.3	G283 P284 P285 S292 F307 E308 K309	G283-I288 WeakPolarHBondContact O-CD1 3.5Å; P284-I288 PolarHBondContact O-N 3.25Å; P284-I288 VanDerWaalsContact O-N 3.16Å; P285-I288 PolarHBondContact O-N 2.76Å; I288-S292 WeakPolarHBondContact O-CB 3.34Å; I288-S292 PolarHBondContact O-N 3.13Å; I288-S292 PolarHBondContact O-OG 3.16Å; I288-F307 HydrophobicContact CG2-CB 3.77Å; I288-F307 HydrophobicContact CG2-CD1 4.31Å; I288-F307 HydrophobicContact CG2-CD2 4.02Å; I288-F307 HydrophobicContact CG2-CG 3.77Å; I288-E308 VanDerWaalsContact CD1-O 3.26Å; I288-E308 WeakPolarHBondContact CD1-O 3.3Å; I288-K309 HydrophobicContact CD1-CG 3.73Å
289	E	95.9	Very high	97	Very high	114 Å²	114	42.8 Å²	42.8	53%	0.533	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-47.6	-179.8	-72.7	165.3	-163.5	0	0	112	P285 M287 K293 K309	P285-E289 WeakPolarHBondContact O-CG 3.43Å; P285-E289 PolarHBondContact O-N 2.93Å; M287-E289 VanDerWaalsContact C-N 3.32Å; M287-E289 PolarHBondContact O-N 2.74Å; E289-K293 WeakPolarHBondContact O-CB 3.06Å; E289-K293 PolarHBondContact O-N 3.3Å; E289-K293 VanDerWaalsContact O-N 3.07Å; E289-K309 IonicContact OE1-NZ 3.61Å
290	A	97.1	Very high	97	Very high	55 Å²	55	43 Å²	43	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-49.5	179.6	0	0	0	0	0	112.1	P286 M287 K293 T294	P286-A290 VanDerWaalsContact O-CB 3.3Å; P286-A290 WeakPolarHBondContact O-CB 3.39Å; P286-A290 PolarHBondContact O-N 2.79Å; P286-A290 VanDerWaalsContact O-N 3.13Å; M287-A290 PolarHBondContact O-N 3.15Å; A290-K293 PolarHBondContact O-N 2.78Å; A290-T294 PolarHBondContact O-N 3.25Å; A290-T294 PolarHBondContact O-OG1 3.17Å; A290-T294 VanDerWaalsContact O-OG1 3.09Å
291	V	97.9	Very high	96.9	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-67.3	-42.7	-178.5	176.2	0	0	0	0	111	V172 L268 L281 M287 K293 T294 L295	V172-V291 HydrophobicContact CG1-CG1 4.33Å; V172-V291 HydrophobicContact CG1-CG2 4.3Å; V172-V291 HydrophobicContact CG2-CG1 4.48Å; L268-V291 HydrophobicContact CD1-CB 4.45Å; L268-V291 HydrophobicContact CD1-CG1 3.82Å; L268-V291 HydrophobicContact CD1-CG2 4.26Å; L268-V291 HydrophobicContact CD2-CG1 4.08Å; L281-V291 HydrophobicContact CD2-CB 3.76Å; L281-V291 HydrophobicContact CD2-CG1 3.35Å; M287-V291 HydrophobicContact CG-CG2 4.32Å; M287-V291 WeakPolarHBondContact O-CB 3.48Å; M287-V291 WeakPolarHBondContact O-CG2 3.36Å; M287-V291 PolarHBondContact O-N 3.1Å; V291-K293 VanDerWaalsContact C-N 3.28Å; V291-K293 PolarHBondContact O-N 3.36Å; V291-T294 PolarHBondContact O-N 3.17Å; V291-L295 HydrophobicContact CG1-CD1 3.74Å; V291-L295 HydrophobicContact CG1-CG 4.06Å; V291-L295 VanDerWaalsContact O-CG 3.26Å; V291-L295 WeakPolarHBondContact O-CG 3.47Å; V291-L295 PolarHBondContact O-N 2.92Å
292	S	97.9	Very high	96.9	Very high	14 Å²	14	53 Å²	53	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-43.4	176.9	-58.7	0	0	0	0	111.3	I288 L295 M296	I288-S292 WeakPolarHBondContact O-CB 3.34Å; I288-S292 PolarHBondContact O-N 3.13Å; I288-S292 PolarHBondContact O-OG 3.16Å; S292-L295 PolarHBondContact O-N 2.84Å; S292-M296 WeakPolarHBondContact O-CE 3.46Å; S292-M296 WeakPolarHBondContact O-CG 3.28Å; S292-M296 PolarHBondContact O-N 3.38Å; S292-M296 VanDerWaalsContact O-N 3.08Å
293	K	98.1	Very high	96.8	Very high	118 Å²	118	59.2 Å²	59.2	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-50.8	176	-173.7	-171.6	175.6	-63.2	0	111.1	E289 A290 V291 L295 M296 D297	E289-K293 WeakPolarHBondContact O-CB 3.06Å; E289-K293 PolarHBondContact O-N 3.3Å; E289-K293 VanDerWaalsContact O-N 3.07Å; A290-K293 PolarHBondContact O-N 2.78Å; V291-K293 VanDerWaalsContact C-N 3.28Å; V291-K293 PolarHBondContact O-N 3.36Å; K293-L295 VanDerWaalsContact C-N 3.32Å; K293-L295 PolarHBondContact O-N 2.94Å; K293-M296 PolarHBondContact O-N 2.9Å; K293-D297 IonicContact NZ-OD1 2.72Å; K293-D297 IonicContact NZ-OD2 3.14Å; K293-D297 PolarHBondContact NZ-OD2 3.3Å; K293-D297 VanDerWaalsContact O-CG 3.26Å; K293-D297 PolarHBondContact O-N 2.91Å
294	T	98.4	Very high	96.9	Very high	33 Å²	33	61.2 Å²	61.2	20%	0.202	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-42.8	179.8	-61.2	0	0	0	0	112.2	A265 L268 A290 V291 D297 F298	A265-T294 HydrophobicContact CB-CG2 3.93Å; L268-T294 HydrophobicContact CD1-CG2 3.99Å; A290-T294 PolarHBondContact O-N 3.25Å; A290-T294 PolarHBondContact O-OG1 3.17Å; A290-T294 VanDerWaalsContact O-OG1 3.09Å; V291-T294 PolarHBondContact O-N 3.17Å; T294-D297 WeakPolarHBondContact O-CB 3.31Å; T294-D297 PolarHBondContact O-N 2.84Å; T294-F298 HydrophobicContact CG2-CD2 4.12Å; T294-F298 HydrophobicContact CG2-CE1 4.38Å; T294-F298 HydrophobicContact CG2-CE2 3.44Å; T294-F298 VanDerWaalsContact CG2-CE2 3.44Å; T294-F298 HydrophobicContact CG2-CZ 3.6Å; T294-F298 WeakPolarHBondContact O-CD2 3.47Å; T294-F298 WeakPolarHBondContact O-CG 3.37Å; T294-F298 PolarHBondContact O-N 3.39Å
295	L	98.3	Very high	97.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-38.9	178.5	-65.9	170.6	0	0	0	112.2	L170 L268 V272 C279 L281 V291 S292 K293 F298 G299 L300 I305	L170-L295 HydrophobicContact CD2-CD2 3.75Å; L268-L295 HydrophobicContact CB-CD2 4.31Å; L268-L295 HydrophobicContact CD2-CD2 4.5Å; V272-L295 HydrophobicContact CG2-CD2 3.56Å; C279-L295 HydrophobicContact CB-CD1 4.04Å; C279-L295 WeakPolarHBondContact SG-CD1 3.3Å; L281-L295 HydrophobicContact CD1-CD1 4.19Å; V291-L295 HydrophobicContact CG1-CD1 3.74Å; V291-L295 HydrophobicContact CG1-CG 4.06Å; V291-L295 VanDerWaalsContact O-CG 3.26Å; V291-L295 WeakPolarHBondContact O-CG 3.47Å; V291-L295 PolarHBondContact O-N 2.92Å; S292-L295 PolarHBondContact O-N 2.84Å; K293-L295 VanDerWaalsContact C-N 3.32Å; K293-L295 PolarHBondContact O-N 2.94Å; L295-F298 CarbonylContact O-C 3.39Å; L295-F298 PolarHBondContact O-N 2.89Å; L295-G299 PolarHBondContact O-N 2.85Å; L295-L300 HydrophobicContact CB-CB 4.28Å; L295-L300 HydrophobicContact CB-CD2 4.12Å; L295-L300 HydrophobicContact CD1-CD2 4.32Å; L295-L300 HydrophobicContact CD2-CD2 4.42Å; L295-L300 VanDerWaalsContact O-CB 3.29Å; L295-L300 WeakPolarHBondContact O-CB 3.18Å; L295-L300 PolarHBondContact O-N 2.91Å; L295-I305 HydrophobicContact CB-CD1 3.77Å; L295-I305 HydrophobicContact CB-CG1 4.48Å; L295-I305 HydrophobicContact CD1-CD1 4.47Å; L295-I305 HydrophobicContact CD1-CG1 4.48Å
296	M	98.1	Very high	97.3	Very high	87 Å²	87	58.2 Å²	58.2	43%	0.429	31%	0.314	S	S	.	.	H	α-helix	trans	-65.8	-38.1	173.1	-70.9	-174.9	-66	0	0	111.8	S292 K293 F298 G299 I305	S292-M296 WeakPolarHBondContact O-CE 3.46Å; S292-M296 WeakPolarHBondContact O-CG 3.28Å; S292-M296 PolarHBondContact O-N 3.38Å; S292-M296 VanDerWaalsContact O-N 3.08Å; K293-M296 PolarHBondContact O-N 2.9Å; M296-F298 PolarHBondContact O-N 3.37Å; M296-G299 WeakPolarHBondContact O-CA 3.36Å; M296-G299 PolarHBondContact O-N 2.93Å; M296-I305 HydrophobicContact CG-CD1 3.66Å
297	D	98	Very high	97.4	Very high	102 Å²	102	58.6 Å²	58.6	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-27.1	174.6	-65	-23.5	0	0	0	111.5	K293 T294 G299	K293-D297 IonicContact NZ-OD1 2.72Å; K293-D297 IonicContact NZ-OD2 3.14Å; K293-D297 PolarHBondContact NZ-OD2 3.3Å; K293-D297 VanDerWaalsContact O-CG 3.26Å; K293-D297 PolarHBondContact O-N 2.91Å; T294-D297 WeakPolarHBondContact O-CB 3.31Å; T294-D297 PolarHBondContact O-N 2.84Å; D297-G299 VanDerWaalsContact C-N 3.27Å
298	F	97.7	Very high	97.2	Very high	55 Å²	55	57.8 Å²	57.8	24%	0.241	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4	171.1	-59.2	-26	0	0	0	114.2	A265 L268 Q269 V272 P274 T294 L295 M296	A265-F298 HydrophobicContact CB-CZ 4.09Å; A265-F298 WeakPolarHBondContact O-CE2 3.44Å; A265-F298 WeakPolarHBondContact O-CZ 3.5Å; L268-F298 HydrophobicContact CB-CE2 4.11Å; Q269-F298 HydrophobicContact CB-CD2 4.12Å; Q269-F298 HydrophobicContact CB-CE1 4.37Å; Q269-F298 HydrophobicContact CB-CE2 3.59Å; Q269-F298 HydrophobicContact CB-CZ 3.73Å; Q269-F298 HydrophobicContact CG-CD2 4.42Å; Q269-F298 HydrophobicContact CG-CE1 4.35Å; Q269-F298 HydrophobicContact CG-CE2 4.24Å; Q269-F298 HydrophobicContact CG-CZ 4.19Å; V272-F298 HydrophobicContact CG1-CB 4.29Å; P274-F298 WeakPolarHBondContact CG-O 3.33Å; T294-F298 HydrophobicContact CG2-CD2 4.12Å; T294-F298 HydrophobicContact CG2-CE1 4.38Å; T294-F298 HydrophobicContact CG2-CE2 3.44Å; T294-F298 VanDerWaalsContact CG2-CE2 3.44Å; T294-F298 HydrophobicContact CG2-CZ 3.6Å; T294-F298 WeakPolarHBondContact O-CD2 3.47Å; T294-F298 WeakPolarHBondContact O-CG 3.37Å; T294-F298 PolarHBondContact O-N 3.39Å; L295-F298 CarbonylContact O-C 3.39Å; L295-F298 PolarHBondContact O-N 2.89Å; M296-F298 PolarHBondContact O-N 3.37Å
299	G	97.8	Very high	96.6	Very high	45 Å²	45	61.2 Å²	61.2	46%	0.464	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	7.7	176.3	0	0	0	0	0	114.9	L295 M296 D297 P301	L295-G299 PolarHBondContact O-N 2.85Å; M296-G299 WeakPolarHBondContact O-CA 3.36Å; M296-G299 PolarHBondContact O-N 2.93Å; D297-G299 VanDerWaalsContact C-N 3.27Å; G299-P301 VanDerWaalsContact O-CD 3.32Å; G299-P301 WeakPolarHBondContact O-CD 3.29Å
300	L	98.1	Very high	95.5	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.302	C	S	.	.			trans	-67.7	122.4	174.7	-172.1	65	0	0	0	109.7	V272 T277 C279 L295 R304 I305	V272-L300 HydrophobicContact CG2-CD2 4.16Å; T277-L300 WeakPolarHBondContact O-CD1 3.29Å; C279-L300 HydrophobicContact CB-CD2 3.97Å; L295-L300 HydrophobicContact CB-CB 4.28Å; L295-L300 HydrophobicContact CB-CD2 4.12Å; L295-L300 HydrophobicContact CD1-CD2 4.32Å; L295-L300 HydrophobicContact CD2-CD2 4.42Å; L295-L300 VanDerWaalsContact O-CB 3.29Å; L295-L300 WeakPolarHBondContact O-CB 3.18Å; L295-L300 PolarHBondContact O-N 2.91Å; L300-R304 HydrophobicContact CD1-CB 4.12Å; L300-R304 HydrophobicContact CG-CB 4.32Å; L300-I305 HydrophobicContact CB-CD1 4.44Å; L300-I305 HydrophobicContact CD2-CD1 4.2Å; L300-I305 HydrophobicContact CD2-CG1 3.66Å; L300-I305 HydrophobicContact CG-CD1 4.38Å; L300-I305 HydrophobicContact CG-CG1 4.05Å
301	P	97.8	Very high	93.7	Very high	53 Å²	53	62.6 Å²	62.6	34%	0.344	31%	0.306	S	S	.	.			trans	-61.2	144.2	-179.7	-25.9	36.5	0	0	0	112.8	G299 D303 R304	G299-P301 VanDerWaalsContact O-CD 3.32Å; G299-P301 WeakPolarHBondContact O-CD 3.29Å; P301-D303 VanDerWaalsContact C-N 3.29Å; P301-D303 WeakPolarHBondContact CB-OD1 3.3Å; P301-D303 PolarHBondContact O-N 3.04Å; P301-R304 HydrophobicContact CB-CG 4.19Å; P301-R304 WeakPolarHBondContact O-CB 3.19Å; P301-R304 PolarHBondContact O-N 3.12Å
302	K	96.8	Very high	93.5	Very high	165 Å²	165	65.2 Å²	65.2	72%	0.717	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-60.1	-35.9	-174.2	-176.4	-179	177.4	-175.9	0	113.4	R304 I305	K302-R304 PolarHBondContact O-N 2.9Å; K302-I305 PolarHBondContact O-N 2.77Å; K302-I305 VanDerWaalsContact O-N 3.13Å
303	D	96.6	Very high	93.2	Very high	132 Å²	132	67.8 Å²	67.8	71%	0.706	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-68.7	-11.8	176.8	61.9	-30.4	0	0	0	113.3	P301	P301-D303 VanDerWaalsContact C-N 3.29Å; P301-D303 WeakPolarHBondContact CB-OD1 3.3Å; P301-D303 PolarHBondContact O-N 3.04Å
304	R	97.4	Very high	93	Very high	48 Å²	48	65.1 Å²	65.1	18%	0.181	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-98.5	3.6	172.8	-51.2	-167.2	77.6	179.7	8.2	113.6	P274 Q275 R276 T277 L278 C279 L300 P301 K302	P274-R304 PolarHBondContact O-NH1 2.94Å; Q275-R304 PolarHBondContact O-NH1 3.46Å; R276-R304 VanDerWaalsContact C-CZ 3.49Å; R276-R304 VanDerWaalsContact CA-NH1 3.33Å; R276-R304 PolarHBondContact O-NH2 2.8Å; T277-R304 PolarHBondContact O-NE 2.9Å; T277-R304 PolarHBondContact O-NH2 2.95Å; L278-R304 HydrophobicContact CD1-CB 4.16Å; C279-R304 PolarHBondContact N-O 3.41Å; L300-R304 HydrophobicContact CD1-CB 4.12Å; L300-R304 HydrophobicContact CG-CB 4.32Å; P301-R304 HydrophobicContact CB-CG 4.19Å; P301-R304 WeakPolarHBondContact O-CB 3.19Å; P301-R304 PolarHBondContact O-N 3.12Å; K302-R304 PolarHBondContact O-N 2.9Å
305	I	98.1	Very high	92.6	Very high	14 Å²	14	66.9 Å²	66.9	7%	0.072	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	92.1	176.2	-58.2	174.3	0	0	0	107.4	L281 L295 M296 L300 K302	L281-I305 HydrophobicContact CD1-CG2 3.33Å; L295-I305 HydrophobicContact CB-CD1 3.77Å; L295-I305 HydrophobicContact CB-CG1 4.48Å; L295-I305 HydrophobicContact CD1-CD1 4.47Å; L295-I305 HydrophobicContact CD1-CG1 4.48Å; M296-I305 HydrophobicContact CG-CD1 3.66Å; L300-I305 HydrophobicContact CB-CD1 4.44Å; L300-I305 HydrophobicContact CD2-CD1 4.2Å; L300-I305 HydrophobicContact CD2-CG1 3.66Å; L300-I305 HydrophobicContact CG-CD1 4.38Å; L300-I305 HydrophobicContact CG-CG1 4.05Å; K302-I305 PolarHBondContact O-N 2.77Å; K302-I305 VanDerWaalsContact O-N 3.13Å
306	L	98.1	Very high	92.3	Very high	45 Å²	45	71.1 Å²	71.1	24%	0.236	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.1	175.4	-62.3	95.3	0	0	0	108.8	F156 L278 C279 Y280 L281	F156-L306 HydrophobicContact CD2-CB 4.05Å; F156-L306 HydrophobicContact CE2-CB 3.98Å; L278-L306 HydrophobicContact CD1-CD1 3.35Å; L278-L306 HydrophobicContact CD2-CD1 4.48Å; L278-L306 HydrophobicContact CG-CD1 3.88Å; C279-L306 PolarHBondContact O-N 2.86Å; Y280-L306 WeakPolarHBondContact CA-O 3.33Å; Y280-L306 HydrophobicContact CD1-CB 4Å; Y280-L306 HydrophobicContact CE1-CB 4.15Å; Y280-L306 HydrophobicContact CE1-CD1 4.27Å; Y280-L306 HydrophobicContact CE1-CD2 3.99Å; Y280-L306 HydrophobicContact CE1-CG 4.37Å; L281-L306 PolarHBondContact N-O 2.81Å
307	F	95.8	Very high	91.9	Very high	101 Å²	101	70.1 Å²	70.1	44%	0.443	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.7	174.1	61.7	-96.5	0	0	0	112.6	L281 I288 K309	L281-F307 HydrophobicContact CB-CB 3.82Å; L281-F307 CarbonylContact O-C 3.51Å; L281-F307 WeakPolarHBondContact O-CA 3.49Å; L281-F307 WeakPolarHBondContact O-CB 3.31Å; I288-F307 HydrophobicContact CG2-CB 3.77Å; I288-F307 HydrophobicContact CG2-CD1 4.31Å; I288-F307 HydrophobicContact CG2-CD2 4.02Å; I288-F307 HydrophobicContact CG2-CG 3.77Å; F307-K309 HydrophobicContact CD2-CD 4.44Å; F307-K309 HydrophobicContact CD2-CG 4.05Å; F307-K309 HydrophobicContact CE2-CD 4.3Å; F307-K309 HydrophobicContact CE2-CG 4.37Å
308	E	90.3	Very high	91.5	Very high	17 Å²	17	67.8 Å²	67.8	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.2	169.2	-173.7	168.1	-104	0	0	109.2	S109 F156 L281 I288 W310	S109-E308 PolarHBondContact OG-OE2 2.99Å; F156-E308 HydrophobicContact CB-CB 4.14Å; F156-E308 HydrophobicContact CD1-CB 4Å; F156-E308 HydrophobicContact CD2-CB 4Å; F156-E308 HydrophobicContact CE1-CB 4.36Å; F156-E308 HydrophobicContact CE2-CB 4.35Å; F156-E308 HydrophobicContact CG-CB 3.79Å; F156-E308 HydrophobicContact CZ-CB 4.5Å; L281-E308 PolarHBondContact O-N 2.79Å; I288-E308 VanDerWaalsContact CD1-O 3.26Å; I288-E308 WeakPolarHBondContact CD1-O 3.3Å; E308-W310 HydrophobicContact CG-CZ2 4.3Å; E308-W310 VanDerWaalsContact OE2-CE2 3.29Å; E308-W310 VanDerWaalsContact OE2-CZ2 3.3Å; E308-W310 WeakPolarHBondContact OE2-CZ2 3.44Å; E308-W310 PolarHBondContact OE2-NE1 3.02Å
309	K	83.4	Confident	91	Very high	73 Å²	73	68.8 Å²	68.8	32%	0.317	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.4	-179.4	-65.2	-175.4	179.1	-172.2	0	108.9	I288 E289 F307 W311	I288-K309 HydrophobicContact CD1-CG 3.73Å; E289-K309 IonicContact OE1-NZ 3.61Å; F307-K309 HydrophobicContact CD2-CD 4.44Å; F307-K309 HydrophobicContact CD2-CG 4.05Å; F307-K309 HydrophobicContact CE2-CD 4.3Å; F307-K309 HydrophobicContact CE2-CG 4.37Å; K309-W311 VanDerWaalsContact O-CE3 3.3Å; K309-W311 WeakPolarHBondContact O-CZ3 3.4Å
310	W	73	Confident	90.4	Very high	59 Å²	59	70.8 Å²	70.8	22%	0.223	32%	0.322	C	S	.	.			trans	-110.8	141.8	169.7	-65.3	98	0	0	0	109.8	W94 G107 S109 C282 E308	W94-W310 HydrophobicContact CB-CH2 3.78Å; W94-W310 HydrophobicContact CB-CZ2 3.81Å; W94-W310 AromaticContact CD1-CH2 3.9Å; W94-W310 AromaticContact CD1-CZ2 3.79Å; W94-W310 HydrophobicContact CD2-CH2 4.34Å; W94-W310 AromaticContact CG-CH2 3.72Å; W94-W310 HydrophobicContact CG-CH2 3.72Å; W94-W310 AromaticContact CG-CZ2 3.91Å; W94-W310 HydrophobicContact CG-CZ2 3.91Å; G107-W310 VanDerWaalsContact O-CZ3 3.29Å; G107-W310 WeakPolarHBondContact O-CZ3 3.48Å; S109-W310 WeakPolarHBondContact OG-CZ2 3.42Å; S109-W310 PolarHBondContact OG-NE1 3.15Å; S109-W310 VanDerWaalsContact OG-NE1 3.09Å; C282-W310 VanDerWaalsContact SG-CD1 3.54Å; E308-W310 HydrophobicContact CG-CZ2 4.3Å; E308-W310 VanDerWaalsContact OE2-CE2 3.29Å; E308-W310 VanDerWaalsContact OE2-CZ2 3.3Å; E308-W310 WeakPolarHBondContact OE2-CZ2 3.44Å; E308-W310 PolarHBondContact OE2-NE1 3.02Å
311	W	59.8	Low	89.7	Confident	139 Å²	139	76.9 Å²	76.9	53%	0.527	35%	0.35	S	S	.	.			trans	-134.3	0	-164.8	50.6	56.1	0	0	0	113.3	R51 T52 K309	R51-W311 HydrophobicContact CB-CH2 3.48Å; R51-W311 VanDerWaalsContact CB-CH2 3.48Å; R51-W311 HydrophobicContact CB-CZ2 3.25Å; R51-W311 HydrophobicContact CB-CZ3 4.32Å; R51-W311 HydrophobicContact CG-CH2 4.43Å; R51-W311 HydrophobicContact CG-CZ2 3.96Å; T52-W311 HydrophobicContact CG2-CH2 3.62Å; T52-W311 HydrophobicContact CG2-CZ2 4.02Å; K309-W311 VanDerWaalsContact O-CE3 3.3Å; K309-W311 WeakPolarHBondContact O-CZ3 3.4Å

Retrieved 311 of 311 residues in 203 ms (Link to these results)

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