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Acetyl-coenzyme A synthetase 2-like, mitochondrial

Catalyzes the synthesis of acetyl-CoA from short-chain fatty acids^1,2. Acetate is the preferred substrate^3,4. Can also utilize propionate with a much lower affinity⁵. Provides acetyl-CoA that is utilized mainly for oxidation under ketogenic conditions⁶. Involved in thermogenesis under ketogenic conditions, using acetate as a vital fuel when carbohydrate availability is insufficient⁷.

AlphaFold DB , UniProt , Accession Q99NB1, Species MOUSE (Mus musculus, Mouse), Gene Acss1, Length 682 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	23.5	Very low	29.6	Very low	255 Å²	255	117 Å²	117	100%	1.256	73%	0.727	S	S	*	*				0	34	0	-82.4	-163.9	-131.5	0	0	113.2
2	A	25.1	Very low	30	Very low	102 Å²	102	124.2 Å²	124.2	84%	0.843	73%	0.73	S	S	*	*			trans	-148	138.8	163.8	0	0	0	0	0	104.1
3	A	29.4	Very low	30.4	Very low	92 Å²	92	122 Å²	122	76%	0.76	71%	0.713	S	S	*	*			cis	-142.2	134.8	20.2	0	0	0	0	0	109.4
4	R	24.8	Very low	31	Very low	261 Å²	261	119.7 Å²	119.7	99%	0.985	70%	0.696	S	S	*	*			trans	-92.5	102.5	165.7	-77.2	-180	172.5	-170.8	-2.4	107.6
5	S	27	Very low	31	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	71%	0.707	S	S	*	*			trans	-157.4	82.7	163.2	64.9	0	0	0	0	110.6
6	L	30.5	Very low	30.8	Very low	183 Å²	183	123.2 Å²	123.2	96%	0.958	70%	0.704	S	S	*	*			trans	-139.1	124.2	168.2	-79.8	168.3	0	0	0	109
7	G	34	Very low	30.8	Very low	67 Å²	67	124.9 Å²	124.9	69%	0.691	71%	0.71	S	S	*	*			trans	93.9	86.1	157.2	0	0	0	0	0	117.1
8	S	31.8	Very low	30.5	Very low	78 Å²	78	128.7 Å²	128.7	55%	0.545	72%	0.721	S	S	.	*			trans	-138.9	51	173	70.1	0	0	0	0	113.4
9	G	32.7	Very low	30.1	Very low	37 Å²	37	125.6 Å²	125.6	38%	0.381	72%	0.72	S	S	.	*	S	Bend	trans	-92.9	-55.6	173.5	0	0	0	0	0	113.6
10	V	35.3	Very low	29.9	Very low	62 Å²	62	131.8 Å²	131.8	38%	0.376	73%	0.731	S	S	.	*	G	3₁₀ helix	trans	-89.5	-18	-168	-174.6	0	0	0	0	113.8	R12 W123	V10-R12 PolarHBondContact O-N 3.37Å; V10-W123 HydrophobicContact CG1-CZ3 4.39Å
11	G	31.2	Very low	29.6	Very low	46 Å²	46	131.8 Å²	131.8	47%	0.474	74%	0.74	S	S	.	*	G	3₁₀ helix	trans	-78.8	-11.6	-179.2	0	0	0	0	0	115.7	L14 R15	G11-L14 PolarHBondContact O-N 2.97Å; G11-R15 PolarHBondContact O-N 2.81Å
12	R	34.4	Very low	29.8	Very low	203 Å²	203	122.9 Å²	122.9	77%	0.766	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-77	-20	-172.6	-94.7	-176	178.4	-158.9	0.9	114.7	V10	V10-R12 PolarHBondContact O-N 3.37Å
13	L	35.6	Very low	29.6	Very low	96 Å²	96	127.8 Å²	127.8	50%	0.503	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-22.8	171.3	-94.2	144.2	0	0	0	112.7	E261	L13-E261 HydrophobicContact CD1-CB 4.31Å
14	L	39.1	Very low	29.6	Very low	90 Å²	90	128.4 Å²	128.4	47%	0.471	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	-8.9	-174.4	-69.1	168	0	0	0	114.9	G11 E138	G11-L14 PolarHBondContact O-N 2.97Å; L14-E138 HydrophobicContact CD2-CG 4.37Å
15	R	31	Very low	29.5	Very low	231 Å²	231	119.7 Å²	119.7	87%	0.872	71%	0.709	S	S	*	*	S	Bend	trans	-109.2	7.8	178.2	-76.4	-167.6	-178.2	-153.6	1.4	115.7	G11 L17	G11-R15 PolarHBondContact O-N 2.81Å; R15-L17 VanDerWaalsContact C-N 3.27Å; R15-L17 PolarHBondContact O-N 2.77Å
16	G	27.6	Very low	29.4	Very low	64 Å²	64	125.8 Å²	125.8	66%	0.66	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-0	177.7	0	0	0	0	0	116
17	L	30.4	Very low	28.9	Very low	152 Å²	152	122.9 Å²	122.9	80%	0.796	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	16.3	-165.6	-74.3	168.7	0	0	0	116.2	R15	R15-L17 VanDerWaalsContact C-N 3.27Å; R15-L17 PolarHBondContact O-N 2.77Å
18	Q	25	Very low	28.6	Very low	194 Å²	194	127 Å²	127	91%	0.907	72%	0.717	S	S	*	*	S	Bend	trans	-110.9	100	167.1	-77	-172	-13.3	0	0	110.7
19	G	24.1	Very low	28.1	Very low	69 Å²	69	129 Å²	129	71%	0.711	73%	0.73	S	S	*	*			trans	118.6	88	162	0	0	0	0	0	114.3
20	R	26.1	Very low	27.9	Very low	250 Å²	250	133.2 Å²	133.2	94%	0.943	75%	0.749	S	S	*	*			trans	-174.1	86.2	131.4	-100.2	165.3	-175.2	-153.1	0.9	109	G22	R20-G22 PolarHBondContact O-N 3.37Å
21	S	22.9	Very low	27.5	Very low	131 Å²	131	135.4 Å²	135.4	92%	0.916	77%	0.767	S	S	*	*			trans	-62.5	114	154.3	41.2	0	0	0	0	108.1
22	G	27	Very low	27.1	Very low	68 Å²	68	145.4 Å²	145.4	70%	0.701	79%	0.79	S	S	*	*			trans	-148.3	96	178	0	0	0	0	0	109.2	R20 S24	R20-G22 PolarHBondContact O-N 3.37Å; G22-S24 PolarHBondContact O-N 3.21Å
23	Q	22.3	Very low	26.8	Very low	206 Å²	206	140.7 Å²	140.7	96%	0.963	79%	0.788	S	S	*	*			trans	-56.2	127.6	173.2	-69.4	168.8	-27.5	0	0	110.8
24	S	28.6	Very low	26.4	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	80%	0.802	S	S	*	*			trans	-154.4	114.8	140.5	56.7	0	0	0	0	108.2	G22	G22-S24 PolarHBondContact O-N 3.21Å
25	G	23.3	Very low	26	Very low	77 Å²	77	142.2 Å²	142.2	79%	0.794	82%	0.815	S	S	*	*			trans	-76.4	129.7	178.8	0	0	0	0	0	110.2
26	W	23.7	Very low	25.8	Very low	233 Å²	233	137.4 Å²	137.4	88%	0.883	81%	0.811	S	S	*	*			trans	-124.8	107.6	158.4	-83	66.6	0	0	0	107.4	L28	W26-L28 PolarHBondContact O-N 2.83Å
27	S	20.9	Very low	25.7	Very low	122 Å²	122	145.7 Å²	145.7	85%	0.853	82%	0.822	S	S	*	*			trans	-65.7	113	171.2	52	0	0	0	0	109.4
28	L	28.2	Very low	25.7	Very low	153 Å²	153	145.9 Å²	145.9	80%	0.801	82%	0.823	S	S	*	*			trans	-112.9	102.1	161.8	-87.2	158.1	0	0	0	108	W26 V30	W26-L28 PolarHBondContact O-N 2.83Å; L28-V30 PolarHBondContact O-N 2.84Å
29	S	21.1	Very low	26	Very low	119 Å²	119	142.3 Å²	142.3	83%	0.832	82%	0.817	S	S	*	*			trans	-63.7	107.2	163.6	53.2	0	0	0	0	108.7
30	V	29.2	Very low	26.3	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	82%	0.817	S	S	*	*			trans	-121.5	128.5	162.4	-178.3	0	0	0	0	107.9	L28	L28-V30 PolarHBondContact O-N 2.84Å
31	S	25	Very low	26.6	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	79%	0.786	S	S	*	*			trans	-58.1	149.1	-170.6	48.4	0	0	0	0	113.1	S33	S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 3.05Å
32	R	22.9	Very low	27	Very low	256 Å²	256	131.9 Å²	131.9	97%	0.966	78%	0.777	S	S	*	*			trans	-58.5	88.8	172.8	-70.3	174.2	174.6	-176.7	-2.6	110.7
33	S	28.5	Very low	27.3	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	77%	0.773	S	S	*	*			trans	-87.7	115.4	154.3	162.6	0	0	0	0	107.1	S31 A35	S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 3.05Å; S33-A35 PolarHBondContact O-N 3.26Å
34	T	27.4	Very low	28.3	Very low	129 Å²	129	124.3 Å²	124.3	79%	0.791	74%	0.735	S	S	*	*			trans	-49.8	100.1	172.6	38.2	0	0	0	0	110.2	T36	T34-T36 VanDerWaalsContact C-N 3.32Å; T34-T36 PolarHBondContact O-N 2.87Å
35	A	30.2	Very low	29.2	Very low	90 Å²	90	123.4 Å²	123.4	74%	0.744	73%	0.733	S	S	*	*			trans	-63.3	97.7	165.9	0	0	0	0	0	107.5	S33 R37	S33-A35 PolarHBondContact O-N 3.26Å; A35-R37 PolarHBondContact O-N 3.14Å
36	T	28.6	Very low	30.7	Very low	130 Å²	130	121.7 Å²	121.7	80%	0.798	71%	0.712	S	S	*	*			trans	-50	109.6	158.7	23.8	0	0	0	0	107	T34 L38	T34-T36 VanDerWaalsContact C-N 3.32Å; T34-T36 PolarHBondContact O-N 2.87Å; T36-L38 PolarHBondContact O-N 2.9Å
37	R	25.3	Very low	32.6	Very low	237 Å²	237	113.2 Å²	113.2	89%	0.894	68%	0.682	S	S	*	*			trans	-56.7	107.3	170.6	-70.1	-179	-179.3	-150.3	-0.2	106.7	A35	A35-R37 PolarHBondContact O-N 3.14Å
38	L	29.6	Very low	35.1	Very low	156 Å²	156	113.7 Å²	113.7	82%	0.817	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-55.5	126.8	167.7	-75	163.6	0	0	0	107	T36 G40	T36-L38 PolarHBondContact O-N 2.9Å; L38-G40 PolarHBondContact O-N 3.38Å
39	P	31.4	Very low	37.7	Very low	120 Å²	120	109 Å²	109	78%	0.779	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.9	-178.7	22.2	-29.3	0	0	0	108.6	C41	P39-C41 PolarHBondContact O-N 3.21Å; P39-C41 VanDerWaalsContact O-N 3.11Å
40	G	31.1	Very low	41.1	Very low	68 Å²	68	106.3 Å²	106.3	70%	0.701	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-55.7	118	-178.8	0	0	0	0	0	110.1	L38 V42	L38-G40 PolarHBondContact O-N 3.38Å; G40-V42 PolarHBondContact O-N 2.58Å
41	C	32.1	Very low	44.2	Very low	44 Å²	44	101.7 Å²	101.7	30%	0.297	62%	0.621	S	S	.	*			trans	-67.2	96.1	175.7	-166.6	0	0	0	0	108.6	P39 D72 K114	P39-C41 PolarHBondContact O-N 3.21Å; P39-C41 VanDerWaalsContact O-N 3.11Å; C41-D72 PolarHBondContact SG-O 2.94Å; C41-K114 PolarHBondContact O-NZ 2.74Å
42	V	29.9	Very low	47.5	Very low	118 Å²	118	100.1 Å²	100.1	72%	0.715	61%	0.608	S	S	*	*			trans	-60.3	132.2	162.7	178.3	0	0	0	0	106.2	G40 A44	G40-V42 PolarHBondContact O-N 2.58Å; V42-A44 PolarHBondContact O-N 3.28Å
43	P	34.9	Very low	51	Low	97 Å²	97	90.3 Å²	90.3	63%	0.63	58%	0.582	S	S	*	*			trans	-56.9	116.9	-176.6	21.1	-30.9	0	0	0	109.4	A45	P43-A45 PolarHBondContact O-N 3.2Å
44	A	43	Very low	54.2	Low	19 Å²	19	86 Å²	86	16%	0.157	55%	0.551	C	S	.	*			trans	-46.4	107.7	-177	0	0	0	0	0	110	V42 A46 D72 K313	V42-A44 PolarHBondContact O-N 3.28Å; A44-A46 PolarHBondContact O-N 2.65Å; A44-D72 HydrophobicContact CB-CB 4.17Å; A44-K313 PolarHBondContact O-NZ 2.93Å
45	A	46.3	Very low	57.4	Low	85 Å²	85	81.1 Å²	81.1	70%	0.702	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61.4	135.7	167.6	0	0	0	0	0	106.4	P43 Q47	P43-A45 PolarHBondContact O-N 3.2Å; A45-Q47 PolarHBondContact O-N 2.82Å
46	A	56	Low	60.6	Low	42 Å²	42	78.7 Å²	78.7	35%	0.347	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-48	141.2	167.2	0	0	0	0	0	108.2	A44 P48 L314	A44-A46 PolarHBondContact O-N 2.65Å; A46-P48 VanDerWaalsContact O-N 3.11Å; A46-L314 HydrophobicContact CB-CD2 3.99Å
47	Q	63.9	Low	63.8	Low	54 Å²	54	75 Å²	75	25%	0.252	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-51.8	127.1	175.5	-73	-160.1	6.4	0	0	108.1	A45 G49 L54	A45-Q47 PolarHBondContact O-N 2.82Å; Q47-G49 PolarHBondContact O-N 3.49Å; Q47-L54 HydrophobicContact CB-CD2 3.78Å; Q47-L54 WeakPolarHBondContact O-CD1 3.36Å
48	P	73.2	Confident	67.2	Low	133 Å²	133	63.7 Å²	63.7	86%	0.864	43%	0.433	S	S	*	.	S	Bend	trans	-62.2	128.5	-178.7	25	-32.8	0	0	0	108.8	A46	A46-P48 VanDerWaalsContact O-N 3.11Å
49	G	82.6	Confident	70.4	Confident	53 Å²	53	57.8 Å²	57.8	55%	0.546	41%	0.406	S	S	.	.	S	Bend	trans	167.9	160.5	-178.5	0	0	0	0	0	112.1	Q47	Q47-G49 PolarHBondContact O-N 3.49Å
50	S	92.1	Very high	73.5	Confident	63 Å²	63	59.3 Å²	59.3	44%	0.441	40%	0.403	S	S	.	.			trans	-72.7	158.4	169.5	63.1	0	0	0	0	110.6	A53 L54 E452	S50-A53 PolarHBondContact O-N 2.97Å; S50-A53 WeakPolarHBondContact OG-CB 3.24Å; S50-L54 WeakPolarHBondContact O-CG 3.46Å; S50-L54 PolarHBondContact O-N 2.89Å; S50-E452 WeakPolarHBondContact CB-OE1 3.39Å
51	Y	94.7	Very high	76.6	Confident	31 Å²	31	61.4 Å²	61.4	12%	0.122	39%	0.394	C	S	.	.	H	α-helix	trans	-57.2	-46.1	178.4	162.6	-93	0	0	0	112.1	A53 L54 S55 P450 E452 P465 F467	Y51-A53 VanDerWaalsContact C-N 3.32Å; Y51-A53 PolarHBondContact O-N 3.03Å; Y51-L54 PolarHBondContact O-N 3.28Å; Y51-S55 WeakPolarHBondContact O-CB 3.33Å; Y51-S55 PolarHBondContact O-N 3.44Å; Y51-P450 HydrophobicContact CD2-CG 4.43Å; Y51-P450 VanDerWaalsContact CD2-O 3.24Å; Y51-P450 WeakPolarHBondContact CD2-O 3.21Å; Y51-E452 WeakPolarHBondContact CB-OE1 3.34Å; Y51-E452 PolarHBondContact N-OE1 3.16Å; Y51-P465 WeakPolarHBondContact CE2-O 3.45Å; Y51-P465 PolarHBondContact OH-O 3.3Å; Y51-F467 HydrophobicContact CD2-CD1 4.38Å; Y51-F467 AromaticContact CD2-CE1 3.52Å; Y51-F467 HydrophobicContact CD2-CE1 3.52Å; Y51-F467 HydrophobicContact CD2-CZ 4.13Å; Y51-F467 HydrophobicContact CE2-CD1 4.4Å; Y51-F467 AromaticContact CE2-CE1 3.97Å; Y51-F467 HydrophobicContact CE2-CE1 3.97Å; Y51-F467 HydrophobicContact CG-CE1 4.41Å
52	P	94.2	Very high	79.7	Confident	73 Å²	73	60.1 Å²	60.1	47%	0.474	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-39.6	176.3	-27.1	35.1	0	0	0	113.4	A56 E452	P52-A56 WeakPolarHBondContact O-CB 3.5Å; P52-A56 PolarHBondContact O-N 2.73Å; P52-E452 WeakPolarHBondContact CD-OE1 3.41Å
53	A	95.7	Very high	82.9	Confident	51 Å²	51	56.5 Å²	56.5	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-47.7	-179.7	0	0	0	0	0	111.5	S50 Y51 A56 Q57	S50-A53 PolarHBondContact O-N 2.97Å; S50-A53 WeakPolarHBondContact OG-CB 3.24Å; Y51-A53 VanDerWaalsContact C-N 3.32Å; Y51-A53 PolarHBondContact O-N 3.03Å; A53-A56 PolarHBondContact O-N 3.18Å; A53-Q57 WeakPolarHBondContact O-CB 3.41Å; A53-Q57 PolarHBondContact O-N 2.69Å
54	L	95.8	Very high	85.8	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-66.6	-38.3	177.9	-66.5	173.3	0	0	0	111.9	Q47 S50 Y51 Q57 A58 F65 F467	Q47-L54 HydrophobicContact CB-CD2 3.78Å; Q47-L54 WeakPolarHBondContact O-CD1 3.36Å; S50-L54 WeakPolarHBondContact O-CG 3.46Å; S50-L54 PolarHBondContact O-N 2.89Å; Y51-L54 PolarHBondContact O-N 3.28Å; L54-Q57 PolarHBondContact O-N 3.15Å; L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.41Å; L54-F65 HydrophobicContact CB-CE2 4.24Å; L54-F65 HydrophobicContact CD2-CE2 4.18Å; L54-F467 HydrophobicContact CB-CD1 4.03Å; L54-F467 HydrophobicContact CB-CE1 3.54Å; L54-F467 HydrophobicContact CB-CE2 4.37Å; L54-F467 HydrophobicContact CB-CZ 3.74Å; L54-F467 HydrophobicContact CD1-CE1 4.42Å; L54-F467 HydrophobicContact CD1-CE2 4.18Å; L54-F467 HydrophobicContact CD1-CZ 3.77Å; L54-F467 HydrophobicContact CG-CZ 4.43Å
55	S	95.8	Very high	88.4	Confident	26 Å²	26	53.4 Å²	53.4	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-45.9	175.5	-171.1	0	0	0	0	111.4	Y51 A58 A59	Y51-S55 WeakPolarHBondContact O-CB 3.33Å; Y51-S55 PolarHBondContact O-N 3.44Å; S55-A58 PolarHBondContact O-N 2.76Å; S55-A59 WeakPolarHBondContact O-CB 3.25Å; S55-A59 PolarHBondContact O-N 3.01Å
56	A	96.4	Very high	90.9	Very high	38 Å²	38	49.5 Å²	49.5	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175.7	0	0	0	0	0	112.1	P52 A53 A59 Q60	P52-A56 WeakPolarHBondContact O-CB 3.5Å; P52-A56 PolarHBondContact O-N 2.73Å; A53-A56 PolarHBondContact O-N 3.18Å; A56-A59 PolarHBondContact O-N 3.49Å; A56-Q60 WeakPolarHBondContact O-CB 3.37Å; A56-Q60 VanDerWaalsContact O-CG 3.28Å; A56-Q60 WeakPolarHBondContact O-CG 2.9Å; A56-Q60 PolarHBondContact O-N 2.96Å
57	Q	96.7	Very high	92.9	Very high	53 Å²	53	47.6 Å²	47.6	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-45	176.7	-173.7	-171.6	1.9	0	0	111.7	A53 L54 A59 Q60 E61 F65	A53-Q57 WeakPolarHBondContact O-CB 3.41Å; A53-Q57 PolarHBondContact O-N 2.69Å; L54-Q57 PolarHBondContact O-N 3.15Å; Q57-A59 VanDerWaalsContact C-N 3.27Å; Q57-A59 PolarHBondContact O-N 2.96Å; Q57-Q60 PolarHBondContact O-N 3.29Å; Q57-E61 CarbonylContact O-C 2.84Å; Q57-E61 WeakPolarHBondContact O-CA 3.25Å; Q57-E61 PolarHBondContact O-N 3.14Å; Q57-F65 HydrophobicContact CB-CD2 4.41Å; Q57-F65 HydrophobicContact CG-CD2 4.25Å
58	A	96.5	Very high	94.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-30	179	0	0	0	0	0	113.1	L54 S55 F65 F467 G468 Q494	L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.41Å; S55-A58 PolarHBondContact O-N 2.76Å; A58-F65 HydrophobicContact CB-CB 4.22Å; A58-F65 HydrophobicContact CB-CD1 3.57Å; A58-F65 HydrophobicContact CB-CD2 3.82Å; A58-F65 HydrophobicContact CB-CE1 3.79Å; A58-F65 HydrophobicContact CB-CE2 4.02Å; A58-F65 HydrophobicContact CB-CG 3.59Å; A58-F65 HydrophobicContact CB-CZ 4.01Å; A58-F467 HydrophobicContact CB-CB 4Å; A58-G468 VanDerWaalsContact CB-N 3.28Å; A58-Q494 PolarHBondContact O-NE2 2.85Å
59	A	95.9	Very high	95.7	Very high	31 Å²	31	40.5 Å²	40.5	26%	0.256	26%	0.259	S	S	.	.	H	α-helix	trans	-76.1	-47.2	174.2	0	0	0	0	0	112.2	S55 A56 Q57 V470 Q494	S55-A59 WeakPolarHBondContact O-CB 3.25Å; S55-A59 PolarHBondContact O-N 3.01Å; A56-A59 PolarHBondContact O-N 3.49Å; Q57-A59 VanDerWaalsContact C-N 3.27Å; Q57-A59 PolarHBondContact O-N 2.96Å; A59-V470 HydrophobicContact CB-CG2 3.68Å; A59-Q494 PolarHBondContact O-OE1 3.32Å; A59-Q494 VanDerWaalsContact O-OE1 3.13Å
60	Q	97.2	Very high	96.4	Very high	153 Å²	153	38 Å²	38	72%	0.715	23%	0.233	S	C	*	.	H	α-helix	trans	-79.2	-37.2	-173.4	-67.3	171.2	18.6	0	0	112.9	A56 Q57	A56-Q60 WeakPolarHBondContact O-CB 3.37Å; A56-Q60 VanDerWaalsContact O-CG 3.28Å; A56-Q60 WeakPolarHBondContact O-CG 2.9Å; A56-Q60 PolarHBondContact O-N 2.96Å; Q57-Q60 PolarHBondContact O-N 3.29Å
61	E	96.8	Very high	96.7	Very high	112 Å²	112	41.5 Å²	41.5	52%	0.523	24%	0.237	S	C	.	.			trans	-132.5	63.4	-173	-57.6	-176.9	106.4	0	0	110.8	Q57 A63 A64 F65	Q57-E61 CarbonylContact O-C 2.84Å; Q57-E61 WeakPolarHBondContact O-CA 3.25Å; Q57-E61 PolarHBondContact O-N 3.14Å; E61-A63 PolarHBondContact O-N 3.31Å; E61-A63 VanDerWaalsContact O-N 3.13Å; E61-A64 HydrophobicContact CB-CB 3.84Å; E61-A64 PolarHBondContact O-N 3.43Å; E61-F65 PolarHBondContact O-N 3.16Å
62	P	96	Very high	96.8	Very high	16 Å²	16	44 Å²	44	10%	0.104	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-37.9	-173.2	20.8	-33.1	0	0	0	112.7	F65 W66 W84 W95	P62-F65 PolarHBondContact O-N 3.45Å; P62-W66 WeakPolarHBondContact O-CB 3.45Å; P62-W66 PolarHBondContact O-N 2.82Å; P62-W84 HydrophobicContact CG-CD2 4.47Å; P62-W95 HydrophobicContact CB-CH2 4.32Å
63	A	97	Very high	96.9	Very high	43 Å²	43	41.3 Å²	41.3	36%	0.355	24%	0.235	S	C	.	.	H	α-helix	trans	-65.9	-41.2	176.9	0	0	0	0	0	112.9	E61 F65 G67 V83 W84	E61-A63 PolarHBondContact O-N 3.31Å; E61-A63 VanDerWaalsContact O-N 3.13Å; A63-F65 VanDerWaalsContact C-N 3.33Å; A63-G67 PolarHBondContact O-N 3.07Å; A63-V83 HydrophobicContact CB-CB 3.98Å; A63-V83 HydrophobicContact CB-CG1 4.19Å; A63-W84 HydrophobicContact CB-CB 4.3Å
64	A	96.8	Very high	97.1	Very high	46 Å²	46	39.2 Å²	39.2	38%	0.38	22%	0.216	S	C	.	.	H	α-helix	trans	-72.9	-27.8	179.9	0	0	0	0	0	112.2	E61 P68	E61-A64 HydrophobicContact CB-CB 3.84Å; E61-A64 PolarHBondContact O-N 3.43Å; A64-P68 WeakPolarHBondContact O-CD 3.34Å; A64-P68 VanDerWaalsContact O-CG 3.3Å; A64-P68 WeakPolarHBondContact O-CG 3.14Å
65	F	97.6	Very high	97.2	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	23%	0.226	C	C	.	.	H	α-helix	trans	-78.4	-56.6	174.7	-175.7	-94.8	0	0	0	112.1	L54 Q57 A58 E61 P62 A63 L69 F467	L54-F65 HydrophobicContact CB-CE2 4.24Å; L54-F65 HydrophobicContact CD2-CE2 4.18Å; Q57-F65 HydrophobicContact CB-CD2 4.41Å; Q57-F65 HydrophobicContact CG-CD2 4.25Å; A58-F65 HydrophobicContact CB-CB 4.22Å; A58-F65 HydrophobicContact CB-CD1 3.57Å; A58-F65 HydrophobicContact CB-CD2 3.82Å; A58-F65 HydrophobicContact CB-CE1 3.79Å; A58-F65 HydrophobicContact CB-CE2 4.02Å; A58-F65 HydrophobicContact CB-CG 3.59Å; A58-F65 HydrophobicContact CB-CZ 4.01Å; E61-F65 PolarHBondContact O-N 3.16Å; P62-F65 PolarHBondContact O-N 3.45Å; A63-F65 VanDerWaalsContact C-N 3.33Å; F65-L69 HydrophobicContact CD1-CD1 3.87Å; F65-L69 HydrophobicContact CE1-CD1 3.42Å; F65-L69 VanDerWaalsContact CE1-CD1 3.42Å; F65-L69 HydrophobicContact CE2-CD1 4.46Å; F65-L69 HydrophobicContact CZ-CD1 3.76Å; F65-F467 HydrophobicContact CE1-CB 3.71Å; F65-F467 HydrophobicContact CE1-CG 4.39Å; F65-F467 HydrophobicContact CZ-CB 3.59Å; F65-F467 AromaticContact CZ-CD2 3.79Å; F65-F467 HydrophobicContact CZ-CD2 3.79Å; F65-F467 AromaticContact CZ-CG 3.78Å; F65-F467 HydrophobicContact CZ-CG 3.78Å
66	W	98	Very high	97.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-76.1	-29.6	-172.6	-69.1	113.9	0	0	0	113.9	P62 L69 A70 V83 W95 F96 L306 Y307 F466 F467 P497	P62-W66 WeakPolarHBondContact O-CB 3.45Å; P62-W66 PolarHBondContact O-N 2.82Å; W66-L69 HydrophobicContact CE3-CD1 4.06Å; W66-L69 HydrophobicContact CZ3-CD1 4.27Å; W66-L69 PolarHBondContact O-N 3.44Å; W66-A70 VanDerWaalsContact O-CB 3.32Å; W66-A70 WeakPolarHBondContact O-CB 3.49Å; W66-A70 PolarHBondContact O-N 3.45Å; W66-V83 HydrophobicContact CB-CG1 4.31Å; W66-W95 HydrophobicContact CB-CZ3 3.88Å; W66-W95 AromaticContact CD1-CH2 3.57Å; W66-W95 AromaticContact CD1-CZ3 3.5Å; W66-W95 VanDerWaalsContact CD1-CZ3 3.5Å; W66-W95 HydrophobicContact CG-CH2 4.29Å; W66-W95 AromaticContact CG-CZ3 3.84Å; W66-W95 HydrophobicContact CG-CZ3 3.84Å; W66-F96 HydrophobicContact CB-CE1 4.43Å; W66-F96 HydrophobicContact CB-CZ 4.27Å; W66-L306 HydrophobicContact CE3-CD2 4.03Å; W66-Y307 AromaticContact CH2-CD2 3.74Å; W66-Y307 HydrophobicContact CH2-CD2 3.74Å; W66-Y307 AromaticContact CH2-CE2 3.94Å; W66-Y307 HydrophobicContact CH2-CE2 3.94Å; W66-Y307 HydrophobicContact CZ2-CD2 4.31Å; W66-Y307 HydrophobicContact CZ2-CE2 4.27Å; W66-Y307 HydrophobicContact CZ3-CD2 4.38Å; W66-F466 HydrophobicContact CH2-CE1 4.2Å; W66-F467 VanDerWaalsContact CZ2-O 3.25Å; W66-F467 WeakPolarHBondContact CZ2-O 3.25Å; W66-P497 HydrophobicContact CB-CG 4.33Å; W66-P497 HydrophobicContact CD2-CG 3.52Å; W66-P497 HydrophobicContact CE3-CG 3.86Å; W66-P497 HydrophobicContact CG-CG 3.74Å; W66-P497 HydrophobicContact CZ2-CG 4.28Å; W66-P497 HydrophobicContact CZ3-CG 4.38Å
67	G	98.1	Very high	97.4	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-56.5	-64.4	179.2	0	0	0	0	0	111.8	A63 L69 A70 R71 Y80	A63-G67 PolarHBondContact O-N 3.07Å; G67-L69 VanDerWaalsContact C-N 3.3Å; G67-L69 PolarHBondContact O-N 3.46Å; G67-A70 WeakPolarHBondContact O-CB 3.42Å; G67-A70 PolarHBondContact O-N 3.41Å; G67-R71 PolarHBondContact O-N 3.37Å; G67-Y80 WeakPolarHBondContact CA-OH 3.35Å; G67-Y80 PolarHBondContact O-OH 3.12Å
68	P	97.8	Very high	97.5	Very high	30 Å²	30	44 Å²	44	20%	0.195	24%	0.237	C	C	.	.	H	α-helix	trans	-52.1	-45.8	177.3	-25.9	35.1	0	0	0	113.6	A64 A70 R71 D72	A64-P68 WeakPolarHBondContact O-CD 3.34Å; A64-P68 VanDerWaalsContact O-CG 3.3Å; A64-P68 WeakPolarHBondContact O-CG 3.14Å; P68-A70 VanDerWaalsContact C-N 3.31Å; P68-A70 PolarHBondContact O-N 2.96Å; P68-R71 PolarHBondContact O-N 3.45Å; P68-D72 WeakPolarHBondContact O-CB 3Å; P68-D72 PolarHBondContact O-N 2.95Å
69	L	97.1	Very high	97.6	Very high	9 Å²	9	49 Å²	49	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-44.2	176.6	-71.9	174.7	0	0	0	112.3	F65 W66 G67 D72 T73 M310	F65-L69 HydrophobicContact CD1-CD1 3.87Å; F65-L69 HydrophobicContact CE1-CD1 3.42Å; F65-L69 VanDerWaalsContact CE1-CD1 3.42Å; F65-L69 HydrophobicContact CE2-CD1 4.46Å; F65-L69 HydrophobicContact CZ-CD1 3.76Å; W66-L69 HydrophobicContact CE3-CD1 4.06Å; W66-L69 HydrophobicContact CZ3-CD1 4.27Å; W66-L69 PolarHBondContact O-N 3.44Å; G67-L69 VanDerWaalsContact C-N 3.3Å; G67-L69 PolarHBondContact O-N 3.46Å; L69-D72 PolarHBondContact O-N 3.04Å; L69-T73 WeakPolarHBondContact O-CB 3.43Å; L69-T73 PolarHBondContact O-N 3.01Å; L69-T73 PolarHBondContact O-OG1 3.26Å; L69-M310 HydrophobicContact CD1-CE 4.4Å; L69-M310 HydrophobicContact CD2-CE 3.98Å
70	A	98.5	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-41.4	179	0	0	0	0	0	112.9	W66 G67 P68 D72 L74 W76 Y80 F96 L306	W66-A70 VanDerWaalsContact O-CB 3.32Å; W66-A70 WeakPolarHBondContact O-CB 3.49Å; W66-A70 PolarHBondContact O-N 3.45Å; G67-A70 WeakPolarHBondContact O-CB 3.42Å; G67-A70 PolarHBondContact O-N 3.41Å; P68-A70 VanDerWaalsContact C-N 3.31Å; P68-A70 PolarHBondContact O-N 2.96Å; A70-D72 VanDerWaalsContact C-N 3.34Å; A70-L74 WeakPolarHBondContact O-CB 3.28Å; A70-L74 PolarHBondContact O-N 3.28Å; A70-W76 HydrophobicContact CB-CZ2 4.19Å; A70-W76 PolarHBondContact O-NE1 3.02Å; A70-Y80 HydrophobicContact CB-CE1 4.13Å; A70-F96 HydrophobicContact CB-CD1 3.75Å; A70-F96 HydrophobicContact CB-CE1 3.21Å; A70-F96 HydrophobicContact CB-CE2 4.15Å; A70-F96 HydrophobicContact CB-CG 4.42Å; A70-F96 HydrophobicContact CB-CZ 3.46Å; A70-F96 VanDerWaalsContact CB-CZ 3.46Å; A70-L306 HydrophobicContact CB-CD2 3.63Å
71	R	98.3	Very high	97.7	Very high	137 Å²	137	48.8 Å²	48.8	52%	0.517	26%	0.262	S	S	.	.	H	α-helix	trans	-67.1	-37.8	179.3	176.9	175.9	54.4	-113.5	1.6	111.8	G67 P68 Y80	G67-R71 PolarHBondContact O-N 3.37Å; P68-R71 PolarHBondContact O-N 3.45Å; R71-Y80 WeakPolarHBondContact CB-OH 3.44Å
72	D	96.5	Very high	97.8	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-90	-23.1	-172.6	-57.7	-14.4	0	0	0	112.1	C41 A44 P68 L69 A70	C41-D72 PolarHBondContact SG-O 2.94Å; A44-D72 HydrophobicContact CB-CB 4.17Å; P68-D72 WeakPolarHBondContact O-CB 3Å; P68-D72 PolarHBondContact O-N 2.95Å; L69-D72 PolarHBondContact O-N 3.04Å; A70-D72 VanDerWaalsContact C-N 3.34Å
73	T	97	Very high	97.9	Very high	18 Å²	18	46.3 Å²	46.3	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-94	-35.7	-178.2	-52.6	0	0	0	0	113	L69 L306 M310	L69-T73 WeakPolarHBondContact O-CB 3.43Å; L69-T73 PolarHBondContact O-N 3.01Å; L69-T73 PolarHBondContact O-OG1 3.26Å; T73-L306 HydrophobicContact CG2-CD1 4.14Å; T73-M310 HydrophobicContact CG2-SD 4.44Å
74	L	98.6	Very high	97.9	Very high	6 Å²	6	49 Å²	49	3%	0.031	26%	0.255	C	S	.	.	S	Bend	trans	-103.7	150	-174.7	-55.6	-176.2	0	0	0	112.1	A70 W76 L101 N106 A302 L305 L306	A70-L74 WeakPolarHBondContact O-CB 3.28Å; A70-L74 PolarHBondContact O-N 3.28Å; L74-W76 HydrophobicContact CD1-CZ2 4.07Å; L74-W76 VanDerWaalsContact O-CD1 3.24Å; L74-L101 HydrophobicContact CD1-CD1 3.99Å; L74-N106 WeakPolarHBondContact CA-OD1 3.41Å; L74-A302 HydrophobicContact CD1-CB 4.13Å; L74-L305 HydrophobicContact CD2-CD2 3.88Å; L74-L305 HydrophobicContact CD2-CG 4.09Å; L74-L306 HydrophobicContact CD1-CB 4.09Å; L74-L306 HydrophobicContact CG-CD1 4.41Å
75	V	98.4	Very high	97.9	Very high	46 Å²	46	49.6 Å²	49.6	28%	0.279	25%	0.252	S	S	.	.			trans	-86.5	119.2	168.2	-178.1	0	0	0	0	108.7	L101 V105 N106 Q110	V75-L101 WeakPolarHBondContact O-CB 3.42Å; V75-V105 HydrophobicContact CG1-CG1 4.36Å; V75-N106 PolarHBondContact N-OD1 3.08Å; V75-N106 PolarHBondContact O-ND2 2.95Å; V75-Q110 HydrophobicContact CG2-CB 4.03Å; V75-Q110 HydrophobicContact CG2-CG 4.44Å
76	W	98.7	Very high	97.9	Very high	44 Å²	44	50.3 Å²	50.3	17%	0.167	26%	0.257	C	S	.	.			trans	-109.2	138	-179.9	-64.2	87.6	0	0	0	110.7	A70 L74 Y80 F96 L101 A302	A70-W76 HydrophobicContact CB-CZ2 4.19Å; A70-W76 PolarHBondContact O-NE1 3.02Å; L74-W76 HydrophobicContact CD1-CZ2 4.07Å; L74-W76 VanDerWaalsContact O-CD1 3.24Å; W76-Y80 HydrophobicContact CD2-CD1 4.19Å; W76-Y80 AromaticContact CE2-CD1 3.85Å; W76-Y80 AromaticContact CE2-CE1 3.83Å; W76-Y80 HydrophobicContact CE3-CD1 4.25Å; W76-Y80 AromaticContact CH2-CD1 3.65Å; W76-Y80 HydrophobicContact CH2-CD1 3.65Å; W76-Y80 HydrophobicContact CH2-CE1 4.22Å; W76-Y80 AromaticContact CZ2-CD1 3.58Å; W76-Y80 HydrophobicContact CZ2-CD1 3.58Å; W76-Y80 AromaticContact CZ2-CE1 3.68Å; W76-Y80 HydrophobicContact CZ2-CE1 3.68Å; W76-Y80 HydrophobicContact CZ3-CD1 4Å; W76-F96 HydrophobicContact CH2-CB 3.58Å; W76-F96 HydrophobicContact CH2-CD2 4.31Å; W76-F96 AromaticContact CH2-CG 3.99Å; W76-F96 HydrophobicContact CH2-CG 3.99Å; W76-F96 HydrophobicContact CZ2-CB 4.3Å; W76-F96 HydrophobicContact CZ2-CG 4.31Å; W76-F96 HydrophobicContact CZ3-CB 4.36Å; W76-L101 HydrophobicContact CE3-CB 4.18Å; W76-L101 HydrophobicContact CE3-CD2 4.38Å; W76-L101 HydrophobicContact CZ3-CD2 3.94Å; W76-A302 HydrophobicContact CH2-CB 3.35Å; W76-A302 HydrophobicContact CZ2-CB 4.01Å; W76-A302 HydrophobicContact CZ3-CB 4.06Å
77	D	98.4	Very high	97.8	Very high	87 Å²	87	52.4 Å²	52.4	47%	0.465	27%	0.268	S	S	.	.	S	Bend	trans	-78.5	-43.8	167.4	-57.9	-37.7	0	0	0	110	Q100 S275	D77-Q100 PolarHBondContact N-O 2.9Å; D77-S275 WeakPolarHBondContact CB-OG 3.49Å; D77-S275 VanDerWaalsContact OD2-CB 3.31Å; D77-S275 WeakPolarHBondContact OD2-CB 3.46Å; D77-S275 PolarHBondContact OD2-OG 3.46Å
78	T	98.6	Very high	97.7	Very high	56 Å²	56	53 Å²	53	34%	0.344	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-129.2	129.3	178.5	-56.7	0	0	0	0	108.9	G99 Q100	T78-G99 WeakPolarHBondContact O-CA 3.3Å; T78-Q100 PolarHBondContact N-O 2.79Å; T78-Q100 PolarHBondContact O-N 3.22Å; T78-Q100 PolarHBondContact OG1-OE1 2.68Å; T78-Q100 VanDerWaalsContact OG1-OE1 3.06Å
79	P	98.2	Very high	97.4	Very high	105 Å²	105	60.7 Å²	60.7	68%	0.682	30%	0.295	S	S	*	.			trans	-66.2	144	176.4	28.4	-34.7	0	0	0	111.4
80	Y	98.5	Very high	97.1	Very high	32 Å²	32	63.6 Å²	63.6	13%	0.125	31%	0.314	C	S	.	.			trans	-75.9	156	172.4	54.7	-96	0	0	0	111.9	G67 A70 R71 W76 V83 F96 L97	G67-Y80 WeakPolarHBondContact CA-OH 3.35Å; G67-Y80 PolarHBondContact O-OH 3.12Å; A70-Y80 HydrophobicContact CB-CE1 4.13Å; R71-Y80 WeakPolarHBondContact CB-OH 3.44Å; W76-Y80 HydrophobicContact CD2-CD1 4.19Å; W76-Y80 AromaticContact CE2-CD1 3.85Å; W76-Y80 AromaticContact CE2-CE1 3.83Å; W76-Y80 HydrophobicContact CE3-CD1 4.25Å; W76-Y80 AromaticContact CH2-CD1 3.65Å; W76-Y80 HydrophobicContact CH2-CD1 3.65Å; W76-Y80 HydrophobicContact CH2-CE1 4.22Å; W76-Y80 AromaticContact CZ2-CD1 3.58Å; W76-Y80 HydrophobicContact CZ2-CD1 3.58Å; W76-Y80 AromaticContact CZ2-CE1 3.68Å; W76-Y80 HydrophobicContact CZ2-CE1 3.68Å; W76-Y80 HydrophobicContact CZ3-CD1 4Å; Y80-V83 HydrophobicContact CD2-CG2 4.1Å; Y80-V83 HydrophobicContact CE2-CG2 3.61Å; Y80-F96 VanDerWaalsContact CB-C 3.5Å; Y80-F96 VanDerWaalsContact CB-O 3.28Å; Y80-F96 WeakPolarHBondContact CB-O 3.5Å; Y80-F96 HydrophobicContact CD1-CB 3.79Å; Y80-F96 HydrophobicContact CD1-CD1 4.06Å; Y80-F96 HydrophobicContact CD1-CG 4.27Å; Y80-F96 HydrophobicContact CD2-CB 4.47Å; Y80-F96 HydrophobicContact CD2-CD1 4.32Å; Y80-F96 HydrophobicContact CE1-CB 4.5Å; Y80-F96 AromaticContact CE1-CD1 3.95Å; Y80-F96 HydrophobicContact CE1-CD1 3.95Å; Y80-F96 HydrophobicContact CE2-CD1 4.26Å; Y80-F96 HydrophobicContact CG-CB 3.78Å; Y80-F96 HydrophobicContact CG-CD1 4.25Å; Y80-F96 HydrophobicContact CG-CG 4.49Å; Y80-L97 WeakPolarHBondContact CB-O 3.08Å
81	H	97.9	Very high	96.9	Very high	147 Å²	147	63.6 Å²	63.6	68%	0.681	31%	0.314	S	S	*	.	S	Bend	trans	-111.2	-20.1	176.1	60.1	67	0	0	0	113.3	L97	H81-L97 PolarHBondContact N-O 3.29Å
82	T	98.4	Very high	96.8	Very high	50 Å²	50	61.6 Å²	61.6	31%	0.307	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.3	177.9	-55.1	0	0	0	0	109.8	D85 F96 L97	T82-D85 HydrophobicContact CG2-CB 4.34Å; T82-F96 CarbonylContact O-C 3.6Å; T82-F96 VanDerWaalsContact O-C 3.26Å; T82-F96 WeakPolarHBondContact O-CA 3.44Å; T82-F96 PolarHBondContact O-N 3.41Å; T82-L97 HydrophobicContact CG2-CD1 4.36Å; T82-L97 PolarHBondContact N-O 3.44Å; T82-L97 PolarHBondContact O-N 3.28Å
83	V	98.5	Very high	96.9	Very high	25 Å²	25	58.5 Å²	58.5	15%	0.152	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-40.4	-178.3	178	0	0	0	0	112.1	A63 W66 Y80 W95 F96	A63-V83 HydrophobicContact CB-CB 3.98Å; A63-V83 HydrophobicContact CB-CG1 4.19Å; W66-V83 HydrophobicContact CB-CG1 4.31Å; Y80-V83 HydrophobicContact CD2-CG2 4.1Å; Y80-V83 HydrophobicContact CE2-CG2 3.61Å; V83-W95 HydrophobicContact CG1-CE3 4.37Å; V83-W95 HydrophobicContact CG1-CZ3 4.41Å; V83-W95 CarbonylContact O-C 3.56Å; V83-W95 VanDerWaalsContact O-CA 3.26Å; V83-W95 WeakPolarHBondContact O-CA 3.29Å; V83-W95 VanDerWaalsContact O-CE3 3.28Å; V83-F96 HydrophobicContact CG1-CD1 4.09Å; V83-F96 HydrophobicContact CG1-CE1 3.75Å; V83-F96 PolarHBondContact O-N 3.47Å
84	W	96.8	Very high	96.9	Very high	101 Å²	101	57.9 Å²	57.9	38%	0.383	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	125.1	-168.3	-179.3	72.6	0	0	0	110.8	P62 A63 C86 W95	P62-W84 HydrophobicContact CG-CD2 4.47Å; A63-W84 HydrophobicContact CB-CB 4.3Å; W84-C86 HydrophobicContact CZ2-CB 4.02Å; W84-C86 PolarHBondContact NE1-SG 2.73Å; W84-C86 VanDerWaalsContact NE1-SG 3.45Å; W84-W95 HydrophobicContact CB-CE3 4.38Å; W84-W95 HydrophobicContact CB-CZ3 4.18Å; W84-W95 AromaticContact CD1-CE2 3.69Å; W84-W95 AromaticContact CD1-CH2 3.31Å; W84-W95 AromaticContact CD1-CZ2 3.28Å; W84-W95 AromaticContact CD1-CZ3 3.72Å; W84-W95 HydrophobicContact CG-CH2 4.2Å; W84-W95 HydrophobicContact CG-CZ2 4.46Å; W84-W95 HydrophobicContact CG-CZ3 4.3Å; W84-W95 AromaticContact NE1-CH2 3.96Å; W84-W95 AromaticContact NE1-CZ2 3.71Å
85	D	97.1	Very high	96.9	Very high	58 Å²	58	57.6 Å²	57.6	31%	0.31	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	83.8	175.1	178.6	15.5	0	0	0	108.7	T82 K92 G94 L97	T82-D85 HydrophobicContact CG2-CB 4.34Å; D85-K92 IonicContact OD1-NZ 2.83Å; D85-K92 PolarHBondContact OD1-NZ 2.93Å; D85-K92 VanDerWaalsContact OD2-CE 3.29Å; D85-K92 WeakPolarHBondContact OD2-CE 3.38Å; D85-K92 IonicContact OD2-NZ 2.8Å; D85-K92 PolarHBondContact OD2-NZ 2.78Å; D85-G94 PolarHBondContact N-O 3.07Å; D85-G94 PolarHBondContact O-N 2.95Å; D85-L97 HydrophobicContact CB-CD1 3.82Å
86	C	97.1	Very high	96.9	Very high	19 Å²	19	55.4 Å²	55.4	13%	0.128	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.2	-173.9	-60.7	0	0	0	0	112.4	W84 K92 I93 A495	W84-C86 HydrophobicContact CZ2-CB 4.02Å; W84-C86 PolarHBondContact NE1-SG 2.73Å; W84-C86 VanDerWaalsContact NE1-SG 3.45Å; C86-K92 CarbonylContact C-O 3.49Å; C86-K92 VanDerWaalsContact CA-O 3.23Å; C86-K92 WeakPolarHBondContact CA-O 3.2Å; C86-I93 HydrophobicContact CB-CD1 4.39Å; C86-A495 HydrophobicContact CB-CB 3.69Å; C86-A495 VanDerWaalsContact SG-CB 3.57Å
87	D	95.7	Very high	96.9	Very high	47 Å²	47	55.4 Å²	55.4	25%	0.251	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	107.7	172.1	176.7	18.9	0	0	0	110.6	R89 T90 G91 K92	D87-R89 PolarHBondContact O-N 3.4Å; D87-R89 WeakPolarHBondContact OD1-CB 3.41Å; D87-R89 PolarHBondContact OD1-N 3.31Å; D87-R89 IonicContact OD1-NE 2.67Å; D87-R89 PolarHBondContact OD1-NE 2.91Å; D87-R89 IonicContact OD1-NH2 3.42Å; D87-T90 PolarHBondContact O-N 3.09Å; D87-T90 PolarHBondContact O-OG1 3.2Å; D87-T90 PolarHBondContact OD2-OG1 3.13Å; D87-G91 PolarHBondContact O-N 3.24Å; D87-K92 HydrophobicContact CB-CB 4.48Å; D87-K92 PolarHBondContact N-O 3.32Å; D87-K92 PolarHBondContact O-N 3.34Å; D87-K92 VanDerWaalsContact O-N 3.08Å
88	F	95.8	Very high	96.9	Very high	13 Å²	13	53 Å²	53	6%	0.057	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.1	-179.8	-78.2	-6	0	0	0	114.2	T90 I93 I492 Q494 A495 M499 F515 G520	F88-T90 VanDerWaalsContact C-N 3.26Å; F88-T90 PolarHBondContact O-N 3.22Å; F88-I93 HydrophobicContact CD1-CD1 3.71Å; F88-I93 HydrophobicContact CE1-CD1 3.55Å; F88-I492 WeakPolarHBondContact CE2-O 3.27Å; F88-Q494 VanDerWaalsContact CE2-C 3.43Å; F88-Q494 WeakPolarHBondContact CZ-O 3.43Å; F88-A495 HydrophobicContact CE1-CB 3.63Å; F88-A495 VanDerWaalsContact CZ-CA 3.48Å; F88-A495 HydrophobicContact CZ-CB 3.97Å; F88-M499 HydrophobicContact CE1-CE 3.74Å; F88-M499 HydrophobicContact CE1-SD 3.96Å; F88-M499 HydrophobicContact CZ-CE 4.23Å; F88-M499 HydrophobicContact CZ-SD 4.35Å; F88-F515 HydrophobicContact CB-CD1 3.78Å; F88-F515 HydrophobicContact CB-CE1 3.95Å; F88-F515 HydrophobicContact CD1-CD1 4.15Å; F88-F515 AromaticContact CD1-CE1 3.39Å; F88-F515 HydrophobicContact CD1-CE1 3.39Å; F88-F515 HydrophobicContact CD1-CZ 4.11Å; F88-F515 HydrophobicContact CD2-CD1 4.47Å; F88-F515 HydrophobicContact CD2-CE1 4.15Å; F88-F515 AromaticContact CE1-CE1 3.75Å; F88-F515 HydrophobicContact CE1-CE1 3.75Å; F88-F515 HydrophobicContact CE1-CZ 4.28Å; F88-F515 HydrophobicContact CE2-CE1 4.45Å; F88-F515 AromaticContact CG-CD1 3.92Å; F88-F515 HydrophobicContact CG-CD1 3.92Å; F88-F515 AromaticContact CG-CE1 3.58Å; F88-F515 HydrophobicContact CG-CE1 3.58Å; F88-F515 HydrophobicContact CZ-CE1 4.24Å; F88-F515 WeakPolarHBondContact O-CB 3.43Å; F88-F515 WeakPolarHBondContact O-CD1 3.42Å; F88-F515 WeakPolarHBondContact O-CG 3.36Å; F88-G520 WeakPolarHBondContact CD2-O 3.43Å
89	R	90.9	Very high	97	Very high	193 Å²	193	50.4 Å²	50.4	73%	0.728	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.2	175.8	-69.3	176.3	-72.1	-134.6	-1.8	112.5	D87	D87-R89 PolarHBondContact O-N 3.4Å; D87-R89 WeakPolarHBondContact OD1-CB 3.41Å; D87-R89 PolarHBondContact OD1-N 3.31Å; D87-R89 IonicContact OD1-NE 2.67Å; D87-R89 PolarHBondContact OD1-NE 2.91Å; D87-R89 IonicContact OD1-NH2 3.42Å
90	T	92	Very high	97	Very high	70 Å²	70	48.6 Å²	48.6	43%	0.429	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.2	180	54.7	0	0	0	0	112.6	D87 F88 K92 H507	D87-T90 PolarHBondContact O-N 3.09Å; D87-T90 PolarHBondContact O-OG1 3.2Å; D87-T90 PolarHBondContact OD2-OG1 3.13Å; F88-T90 VanDerWaalsContact C-N 3.26Å; F88-T90 PolarHBondContact O-N 3.22Å; T90-K92 PolarHBondContact O-N 3.2Å; T90-K92 WeakPolarHBondContact OG1-CB 3.1Å; T90-H507 PolarHBondContact O-NE2 3.06Å; T90-H507 VanDerWaalsContact O-NE2 3.14Å
91	G	93.7	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	13.5	-171.5	0	0	0	0	0	113.4	D87 I93 H507	D87-G91 PolarHBondContact O-N 3.24Å; G91-I93 PolarHBondContact O-N 2.8Å; G91-H507 PolarHBondContact O-CE1 3.24Å
92	K	96.3	Very high	97	Very high	95 Å²	95	40.1 Å²	40.1	41%	0.413	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.6	179.2	-177.5	-170.5	177.2	-161.7	0	109.1	D85 C86 D87 T90	D85-K92 IonicContact OD1-NZ 2.83Å; D85-K92 PolarHBondContact OD1-NZ 2.93Å; D85-K92 VanDerWaalsContact OD2-CE 3.29Å; D85-K92 WeakPolarHBondContact OD2-CE 3.38Å; D85-K92 IonicContact OD2-NZ 2.8Å; D85-K92 PolarHBondContact OD2-NZ 2.78Å; C86-K92 CarbonylContact C-O 3.49Å; C86-K92 VanDerWaalsContact CA-O 3.23Å; C86-K92 WeakPolarHBondContact CA-O 3.2Å; D87-K92 HydrophobicContact CB-CB 4.48Å; D87-K92 PolarHBondContact N-O 3.32Å; D87-K92 PolarHBondContact O-N 3.34Å; D87-K92 VanDerWaalsContact O-N 3.08Å; T90-K92 PolarHBondContact O-N 3.2Å; T90-K92 WeakPolarHBondContact OG1-CB 3.1Å
93	I	97.9	Very high	97.1	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.3	179.3	-51.2	-62	0	0	0	108.8	C86 F88 G91 A495 M499 R501	C86-I93 HydrophobicContact CB-CD1 4.39Å; F88-I93 HydrophobicContact CD1-CD1 3.71Å; F88-I93 HydrophobicContact CE1-CD1 3.55Å; G91-I93 PolarHBondContact O-N 2.8Å; I93-A495 HydrophobicContact CD1-CB 4.14Å; I93-M499 HydrophobicContact CD1-CE 3.6Å; I93-M499 HydrophobicContact CD1-SD 3.64Å; I93-M499 HydrophobicContact CG1-CE 3.86Å; I93-M499 HydrophobicContact CG1-SD 4.02Å; I93-M499 HydrophobicContact CG2-CG 3.78Å; I93-M499 HydrophobicContact CG2-SD 3.83Å; I93-R501 VanDerWaalsContact CG2-CD 3.48Å
94	G	98	Very high	97.1	Very high	4 Å²	4	36.5 Å²	36.5	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	130.2	178.8	0	0	0	0	0	112.2	D85	D85-G94 PolarHBondContact N-O 3.07Å; D85-G94 PolarHBondContact O-N 2.95Å
95	W	98.7	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140	178.9	-68.8	85.4	0	0	0	111.4	P62 W66 V83 W84 L97 S278 E279 A495 W496 P497	P62-W95 HydrophobicContact CB-CH2 4.32Å; W66-W95 HydrophobicContact CB-CZ3 3.88Å; W66-W95 AromaticContact CD1-CH2 3.57Å; W66-W95 AromaticContact CD1-CZ3 3.5Å; W66-W95 VanDerWaalsContact CD1-CZ3 3.5Å; W66-W95 HydrophobicContact CG-CH2 4.29Å; W66-W95 AromaticContact CG-CZ3 3.84Å; W66-W95 HydrophobicContact CG-CZ3 3.84Å; V83-W95 HydrophobicContact CG1-CE3 4.37Å; V83-W95 HydrophobicContact CG1-CZ3 4.41Å; V83-W95 CarbonylContact O-C 3.56Å; V83-W95 VanDerWaalsContact O-CA 3.26Å; V83-W95 WeakPolarHBondContact O-CA 3.29Å; V83-W95 VanDerWaalsContact O-CE3 3.28Å; W84-W95 HydrophobicContact CB-CE3 4.38Å; W84-W95 HydrophobicContact CB-CZ3 4.18Å; W84-W95 AromaticContact CD1-CE2 3.69Å; W84-W95 AromaticContact CD1-CH2 3.31Å; W84-W95 AromaticContact CD1-CZ2 3.28Å; W84-W95 AromaticContact CD1-CZ3 3.72Å; W84-W95 HydrophobicContact CG-CH2 4.2Å; W84-W95 HydrophobicContact CG-CZ2 4.46Å; W84-W95 HydrophobicContact CG-CZ3 4.3Å; W84-W95 AromaticContact NE1-CH2 3.96Å; W84-W95 AromaticContact NE1-CZ2 3.71Å; W95-L97 VanDerWaalsContact C-N 3.32Å; W95-L97 PolarHBondContact O-N 3.21Å; W95-S278 WeakPolarHBondContact O-CB 3.42Å; W95-S278 PolarHBondContact O-OG 2.83Å; W95-E279 WeakPolarHBondContact CA-OE1 3.47Å; W95-E279 PolarHBondContact N-OE1 3.18Å; W95-A495 HydrophobicContact CZ2-CB 4.23Å; W95-A495 WeakPolarHBondContact CZ2-O 3.4Å; W95-W496 VanDerWaalsContact CE2-C 3.46Å; W95-W496 VanDerWaalsContact CZ2-CA 3.4Å; W95-W496 PolarHBondContact NE1-O 2.79Å; W95-P497 HydrophobicContact CD2-CB 4.06Å; W95-P497 HydrophobicContact CD2-CG 3.94Å; W95-P497 HydrophobicContact CE3-CB 4.27Å; W95-P497 HydrophobicContact CE3-CG 3.74Å; W95-P497 HydrophobicContact CG-CB 4.32Å; W95-P497 HydrophobicContact CH2-CG 3.98Å; W95-P497 HydrophobicContact CZ2-CG 4.17Å; W95-P497 HydrophobicContact CZ3-CG 3.77Å
96	F	98.7	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.1	44.7	176.7	-40.9	-67	0	0	0	113.6	W66 A70 W76 Y80 T82 V83 G99 S278 A302 L306 P497	W66-F96 HydrophobicContact CB-CE1 4.43Å; W66-F96 HydrophobicContact CB-CZ 4.27Å; A70-F96 HydrophobicContact CB-CD1 3.75Å; A70-F96 HydrophobicContact CB-CE1 3.21Å; A70-F96 HydrophobicContact CB-CE2 4.15Å; A70-F96 HydrophobicContact CB-CG 4.42Å; A70-F96 HydrophobicContact CB-CZ 3.46Å; A70-F96 VanDerWaalsContact CB-CZ 3.46Å; W76-F96 HydrophobicContact CH2-CB 3.58Å; W76-F96 HydrophobicContact CH2-CD2 4.31Å; W76-F96 AromaticContact CH2-CG 3.99Å; W76-F96 HydrophobicContact CH2-CG 3.99Å; W76-F96 HydrophobicContact CZ2-CB 4.3Å; W76-F96 HydrophobicContact CZ2-CG 4.31Å; W76-F96 HydrophobicContact CZ3-CB 4.36Å; Y80-F96 VanDerWaalsContact CB-C 3.5Å; Y80-F96 VanDerWaalsContact CB-O 3.28Å; Y80-F96 WeakPolarHBondContact CB-O 3.5Å; Y80-F96 HydrophobicContact CD1-CB 3.79Å; Y80-F96 HydrophobicContact CD1-CD1 4.06Å; Y80-F96 HydrophobicContact CD1-CG 4.27Å; Y80-F96 HydrophobicContact CD2-CB 4.47Å; Y80-F96 HydrophobicContact CD2-CD1 4.32Å; Y80-F96 HydrophobicContact CE1-CB 4.5Å; Y80-F96 AromaticContact CE1-CD1 3.95Å; Y80-F96 HydrophobicContact CE1-CD1 3.95Å; Y80-F96 HydrophobicContact CE2-CD1 4.26Å; Y80-F96 HydrophobicContact CG-CB 3.78Å; Y80-F96 HydrophobicContact CG-CD1 4.25Å; Y80-F96 HydrophobicContact CG-CG 4.49Å; T82-F96 CarbonylContact O-C 3.6Å; T82-F96 VanDerWaalsContact O-C 3.26Å; T82-F96 WeakPolarHBondContact O-CA 3.44Å; T82-F96 PolarHBondContact O-N 3.41Å; V83-F96 HydrophobicContact CG1-CD1 4.09Å; V83-F96 HydrophobicContact CG1-CE1 3.75Å; V83-F96 PolarHBondContact O-N 3.47Å; F96-G99 PolarHBondContact O-N 2.67Å; F96-S278 VanDerWaalsContact O-CB 3.24Å; F96-S278 WeakPolarHBondContact O-CB 3.49Å; F96-A302 HydrophobicContact CD2-CB 3.98Å; F96-L306 HydrophobicContact CE2-CD2 3.95Å; F96-L306 HydrophobicContact CZ-CD2 3.55Å; F96-P497 HydrophobicContact CE2-CB 4.25Å; F96-P497 HydrophobicContact CZ-CG 4.49Å
97	L	98.6	Very high	97.3	Very high	45 Å²	45	29 Å²	29	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	140.9	179.9	-49.2	179.1	0	0	0	111.4	Y80 H81 T82 D85 W95 G99 E279	Y80-L97 WeakPolarHBondContact CB-O 3.08Å; H81-L97 PolarHBondContact N-O 3.29Å; T82-L97 HydrophobicContact CG2-CD1 4.36Å; T82-L97 PolarHBondContact N-O 3.44Å; T82-L97 PolarHBondContact O-N 3.28Å; D85-L97 HydrophobicContact CB-CD1 3.82Å; W95-L97 VanDerWaalsContact C-N 3.32Å; W95-L97 PolarHBondContact O-N 3.21Å; L97-G99 PolarHBondContact O-N 3.42Å; L97-E279 HydrophobicContact CD2-CG 3.73Å
98	G	98.5	Very high	97.5	Very high	37 Å²	37	26.7 Å²	26.7	38%	0.381	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-15.1	-171.3	0	0	0	0	0	114
99	G	98.7	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.139	C	C	.	.			trans	-74.4	139.4	177.2	0	0	0	0	0	111.4	T78 F96 L97 S278	T78-G99 WeakPolarHBondContact O-CA 3.3Å; F96-G99 PolarHBondContact O-N 2.67Å; L97-G99 PolarHBondContact O-N 3.42Å; G99-S278 PolarHBondContact O-N 3.48Å
100	Q	98.9	Very high	98	Very high	66 Å²	66	19 Å²	19	31%	0.308	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.6	174.2	-58.9	179.3	-39.9	0	0	110.9	D77 T78 S275 M276	D77-Q100 PolarHBondContact N-O 2.9Å; T78-Q100 PolarHBondContact N-O 2.79Å; T78-Q100 PolarHBondContact O-N 3.22Å; T78-Q100 PolarHBondContact OG1-OE1 2.68Å; T78-Q100 VanDerWaalsContact OG1-OE1 3.06Å; Q100-S275 WeakPolarHBondContact CB-OG 3.49Å; Q100-M276 CarbonylContact C-O 3.36Å; Q100-M276 WeakPolarHBondContact CA-O 3.48Å
101	L	98.9	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	174.8	-177.9	74.8	171.7	0	0	0	110.4	L74 V75 W76 M276 Q301 A302	L74-L101 HydrophobicContact CD1-CD1 3.99Å; V75-L101 WeakPolarHBondContact O-CB 3.42Å; W76-L101 HydrophobicContact CE3-CB 4.18Å; W76-L101 HydrophobicContact CE3-CD2 4.38Å; W76-L101 HydrophobicContact CZ3-CD2 3.94Å; L101-M276 PolarHBondContact N-O 3.45Å; L101-M276 WeakPolarHBondContact O-CA 3.36Å; L101-M276 WeakPolarHBondContact O-CB 3.32Å; L101-M276 PolarHBondContact O-N 3.14Å; L101-M276 VanDerWaalsContact O-O 3.12Å; L101-Q301 HydrophobicContact CD2-CB 3.87Å; L101-A302 HydrophobicContact CD1-CB 3.79Å; L101-A302 HydrophobicContact CD2-CB 3.8Å; L101-A302 HydrophobicContact CG-CB 4.49Å
102	N	98.8	Very high	98.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.1	C	C	.	.			trans	-126.7	128.3	164.7	-170.9	-72.8	0	0	0	110.7	S104 V105 N106 A179 R180 P273 E274	N102-S104 PolarHBondContact O-N 3.3Å; N102-S104 WeakPolarHBondContact OD1-CA 3.4Å; N102-S104 WeakPolarHBondContact OD1-CB 3.39Å; N102-S104 PolarHBondContact OD1-N 3.01Å; N102-V105 HydrophobicContact CB-CB 4.1Å; N102-V105 HydrophobicContact CB-CG2 3.81Å; N102-V105 WeakPolarHBondContact O-CB 3.39Å; N102-V105 PolarHBondContact O-N 2.85Å; N102-V105 PolarHBondContact OD1-N 3.16Å; N102-N106 PolarHBondContact O-N 3.37Å; N102-N106 PolarHBondContact O-ND2 2.78Å; N102-A179 PolarHBondContact ND2-O 3.35Å; N102-A179 VanDerWaalsContact ND2-O 3.13Å; N102-R180 PolarHBondContact ND2-O 3.46Å; N102-R180 VanDerWaalsContact ND2-O 3.13Å; N102-P273 HydrophobicContact CB-CB 4.1Å; N102-E274 PolarHBondContact ND2-O 3.06Å
103	V	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-37.3	-179.5	166.9	0	0	0	0	112	V105 N106 C107 A179 L282 Q301 L305 Y341	V103-V105 VanDerWaalsContact C-N 3.32Å; V103-V105 PolarHBondContact O-N 2.7Å; V103-N106 PolarHBondContact O-N 2.92Å; V103-C107 PolarHBondContact O-N 3.12Å; V103-C107 PolarHBondContact O-SG 2.77Å; V103-A179 HydrophobicContact CB-CB 4.36Å; V103-L282 HydrophobicContact CB-CD1 4.09Å; V103-L282 HydrophobicContact CG1-CD1 4.21Å; V103-L282 HydrophobicContact CG1-CD2 4.24Å; V103-L282 HydrophobicContact CG2-CD1 4.15Å; V103-L282 HydrophobicContact CG2-CD2 4.12Å; V103-Q301 HydrophobicContact CG2-CB 4.13Å; V103-L305 HydrophobicContact CB-CD2 4.37Å; V103-L305 HydrophobicContact CG1-CD1 4.18Å; V103-L305 HydrophobicContact CG1-CD2 4.22Å; V103-L305 HydrophobicContact CG2-CB 4.35Å; V103-L305 HydrophobicContact CG2-CD2 4.03Å; V103-Y341 HydrophobicContact CG1-CD1 3.66Å; V103-Y341 HydrophobicContact CG1-CE1 3.45Å; V103-Y341 VanDerWaalsContact CG1-CE1 3.45Å
104	S	98.8	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-38.9	175.8	176.4	0	0	0	0	111.8	N102 N106 C107 L108	N102-S104 PolarHBondContact O-N 3.3Å; N102-S104 WeakPolarHBondContact OD1-CA 3.4Å; N102-S104 WeakPolarHBondContact OD1-CB 3.39Å; N102-S104 PolarHBondContact OD1-N 3.01Å; S104-N106 VanDerWaalsContact C-N 3.34Å; S104-N106 PolarHBondContact O-N 2.9Å; S104-C107 PolarHBondContact O-N 3.21Å; S104-L108 WeakPolarHBondContact O-CB 3.21Å; S104-L108 PolarHBondContact O-N 3.2Å
105	V	98.9	Very high	98.3	Very high	19 Å²	19	28.2 Å²	28.2	12%	0.115	15%	0.152	C	C	.	.	I	π-helix	trans	-62.4	-42.3	175.8	169.5	0	0	0	0	111.4	V75 N102 V103 D109 Q110 P273	V75-V105 HydrophobicContact CG1-CG1 4.36Å; N102-V105 HydrophobicContact CB-CB 4.1Å; N102-V105 HydrophobicContact CB-CG2 3.81Å; N102-V105 WeakPolarHBondContact O-CB 3.39Å; N102-V105 PolarHBondContact O-N 2.85Å; N102-V105 PolarHBondContact OD1-N 3.16Å; V103-V105 VanDerWaalsContact C-N 3.32Å; V103-V105 PolarHBondContact O-N 2.7Å; V105-D109 WeakPolarHBondContact CA-OD2 3.27Å; V105-D109 HydrophobicContact CB-CB 4.37Å; V105-D109 HydrophobicContact CG1-CB 4.1Å; V105-D109 HydrophobicContact CG2-CB 4.45Å; V105-D109 PolarHBondContact O-N 3.26Å; V105-D109 VanDerWaalsContact O-N 3.16Å; V105-Q110 PolarHBondContact O-N 3.18Å; V105-P273 HydrophobicContact CG2-CB 3.71Å; V105-P273 HydrophobicContact CG2-CG 3.64Å
106	N	98.8	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-67.6	-34.2	176.5	-81.5	-91.1	0	0	0	112.6	L74 V75 N102 V103 S104 Q110 L305	L74-N106 WeakPolarHBondContact CA-OD1 3.41Å; V75-N106 PolarHBondContact N-OD1 3.08Å; V75-N106 PolarHBondContact O-ND2 2.95Å; N102-N106 PolarHBondContact O-N 3.37Å; N102-N106 PolarHBondContact O-ND2 2.78Å; V103-N106 PolarHBondContact O-N 2.92Å; S104-N106 VanDerWaalsContact C-N 3.34Å; S104-N106 PolarHBondContact O-N 2.9Å; N106-Q110 WeakPolarHBondContact O-CG 3.44Å; N106-Q110 PolarHBondContact O-NE2 2.97Å; N106-L305 HydrophobicContact CB-CD2 3.49Å; N106-L305 VanDerWaalsContact CB-CD2 3.49Å
107	C	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-83.7	-22.5	177.9	-68.7	0	0	0	0	113.9	V103 S104 Y136 L176 L344	V103-C107 PolarHBondContact O-N 3.12Å; V103-C107 PolarHBondContact O-SG 2.77Å; S104-C107 PolarHBondContact O-N 3.21Å; C107-Y136 WeakPolarHBondContact O-CE1 3.5Å; C107-L176 HydrophobicContact CB-CD2 3.96Å; C107-L344 HydrophobicContact CB-CB 3.88Å
108	L	98.9	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-129.7	-68.3	-170.3	-58.3	177.5	0	0	0	113.2	S104 Q110 H111 V112 Y136 L139 L140 T143 L176	S104-L108 WeakPolarHBondContact O-CB 3.21Å; S104-L108 PolarHBondContact O-N 3.2Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.3Å; L108-H111 PolarHBondContact O-N 3.1Å; L108-V112 WeakPolarHBondContact O-CG2 3.12Å; L108-V112 PolarHBondContact O-N 3.5Å; L108-Y136 HydrophobicContact CD2-CD1 4.2Å; L108-L139 HydrophobicContact CD2-CB 4.23Å; L108-L139 HydrophobicContact CD2-CD2 3.51Å; L108-L139 HydrophobicContact CD2-CG 3.67Å; L108-L140 HydrophobicContact CB-CB 4.38Å; L108-L140 HydrophobicContact CB-CD1 4.07Å; L108-L140 HydrophobicContact CD1-CB 4.42Å; L108-L140 HydrophobicContact CD1-CD1 4.1Å; L108-T143 HydrophobicContact CD1-CG2 4.04Å; L108-L176 HydrophobicContact CD1-CB 4.41Å; L108-L176 HydrophobicContact CD1-CD1 3.88Å; L108-L176 HydrophobicContact CD2-CD1 4.01Å; L108-L176 HydrophobicContact CG-CD1 4.09Å
109	D	98.7	Very high	98.3	Very high	29 Å²	29	36 Å²	36	16%	0.155	19%	0.187	C	C	.	.	I	π-helix	trans	-56.7	-42	-166.9	-60.3	-124.9	0	0	0	112.2	V105 H111 V112 Q113 L140 R180	V105-D109 WeakPolarHBondContact CA-OD2 3.27Å; V105-D109 HydrophobicContact CB-CB 4.37Å; V105-D109 HydrophobicContact CG1-CB 4.1Å; V105-D109 HydrophobicContact CG2-CB 4.45Å; V105-D109 PolarHBondContact O-N 3.26Å; V105-D109 VanDerWaalsContact O-N 3.16Å; D109-H111 VanDerWaalsContact C-N 3.26Å; D109-H111 PolarHBondContact O-N 3.18Å; D109-V112 PolarHBondContact O-N 2.95Å; D109-Q113 VanDerWaalsContact O-CG 3.32Å; D109-Q113 WeakPolarHBondContact O-CG 3.32Å; D109-Q113 PolarHBondContact O-N 3.39Å; D109-L140 WeakPolarHBondContact OD2-CD1 3.47Å; D109-R180 IonicContact OD1-CZ 3.14Å; D109-R180 IonicContact OD1-NH1 2.97Å; D109-R180 PolarHBondContact OD1-NH1 2.86Å; D109-R180 IonicContact OD1-NH2 3.79Å; D109-R180 PolarHBondContact OD1-NH2 3.37Å; D109-R180 VanDerWaalsContact OD1-NH2 3.13Å; D109-R180 IonicContact OD2-CZ 3.79Å; D109-R180 IonicContact OD2-NH1 3.31Å; D109-R180 PolarHBondContact OD2-NH1 2.86Å; D109-R180 IonicContact OD2-NH2 2.91Å
110	Q	97.6	Very high	98.3	Very high	14 Å²	14	36 Å²	36	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-29.8	178.2	70.1	164.5	-47.9	0	0	113.8	V75 V105 N106 L108 K114	V75-Q110 HydrophobicContact CG2-CB 4.03Å; V75-Q110 HydrophobicContact CG2-CG 4.44Å; V105-Q110 PolarHBondContact O-N 3.18Å; N106-Q110 WeakPolarHBondContact O-CG 3.44Å; N106-Q110 PolarHBondContact O-NE2 2.97Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.3Å; Q110-K114 WeakPolarHBondContact O-CG 3.25Å
111	H	98.1	Very high	98.3	Very high	22 Å²	22	32.9 Å²	32.9	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-85.9	-35.8	179.7	-62.6	-51.4	0	0	0	111	L108 D109 Q113 K114 S115 Y136 L344 C345 G347	L108-H111 PolarHBondContact O-N 3.1Å; D109-H111 VanDerWaalsContact C-N 3.26Å; D109-H111 PolarHBondContact O-N 3.18Å; H111-Q113 VanDerWaalsContact C-N 3.26Å; H111-Q113 PolarHBondContact O-N 3.49Å; H111-K114 PolarHBondContact O-N 3.43Å; H111-K114 VanDerWaalsContact O-N 3.09Å; H111-S115 CarbonylContact O-C 3.58Å; H111-S115 PolarHBondContact O-N 3.39Å; H111-Y136 HydrophobicContact CB-CD1 3.77Å; H111-Y136 HydrophobicContact CB-CE1 3.94Å; H111-Y136 HydrophobicContact CB-CG 4.1Å; H111-Y136 AromaticContact CD2-CE1 3.88Å; H111-L344 PolarHBondContact CD2-O 2.94Å; H111-L344 PolarHBondContact NE2-O 3.34Å; H111-C345 PolarHBondContact CE1-O 2.99Å; H111-C345 PolarHBondContact NE2-O 2.95Å; H111-G347 VanDerWaalsContact CE1-CA 3.44Å; H111-G347 WeakPolarHBondContact CE1-CA 3.43Å; H111-G347 PolarHBondContact CE1-N 3.1Å; H111-G347 WeakPolarHBondContact NE2-CA 3.43Å; H111-G347 PolarHBondContact NE2-N 3.37Å
112	V	98.4	Very high	98.3	Very high	31 Å²	31	33.2 Å²	33.2	19%	0.188	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-36.5	171.3	173.7	0	0	0	0	111.5	L108 D109 K114 P116 Y136 L140	L108-V112 WeakPolarHBondContact O-CG2 3.12Å; L108-V112 PolarHBondContact O-N 3.5Å; D109-V112 PolarHBondContact O-N 2.95Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 2.66Å; V112-P116 HydrophobicContact CG1-CB 4.1Å; V112-P116 WeakPolarHBondContact O-CB 3.42Å; V112-P116 VanDerWaalsContact O-CD 3.3Å; V112-P116 WeakPolarHBondContact O-CD 3.41Å; V112-Y136 WeakPolarHBondContact CG2-O 3.3Å; V112-L140 HydrophobicContact CB-CD2 4.12Å; V112-L140 HydrophobicContact CG1-CD2 4.06Å; V112-L140 HydrophobicContact CG2-CB 4.06Å; V112-L140 HydrophobicContact CG2-CD2 3.83Å
113	Q	97.2	Very high	98.2	Very high	161 Å²	161	33.5 Å²	33.5	75%	0.752	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.8	175	-73.5	174.1	12.8	0	0	113.5	D109 H111	D109-Q113 VanDerWaalsContact O-CG 3.32Å; D109-Q113 WeakPolarHBondContact O-CG 3.32Å; D109-Q113 PolarHBondContact O-N 3.39Å; H111-Q113 VanDerWaalsContact C-N 3.26Å; H111-Q113 PolarHBondContact O-N 3.49Å
114	K	96	Very high	98.2	Very high	105 Å²	105	33.5 Å²	33.5	46%	0.457	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-52.2	-177	-64.5	175.7	-166.9	179.4	0	112	C41 Q110 H111 V112	C41-K114 PolarHBondContact O-NZ 2.74Å; Q110-K114 WeakPolarHBondContact O-CG 3.25Å; H111-K114 PolarHBondContact O-N 3.43Å; H111-K114 VanDerWaalsContact O-N 3.09Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 2.66Å
115	S	96	Very high	98.1	Very high	61 Å²	61	36.6 Å²	36.6	43%	0.427	19%	0.186	S	C	.	.			trans	-146.8	72.7	-170.6	-56.6	0	0	0	0	111.3	H111 E117 T118	H111-S115 CarbonylContact O-C 3.58Å; H111-S115 PolarHBondContact O-N 3.39Å; S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 3.38Å; S115-T118 VanDerWaalsContact CB-OG1 3.31Å; S115-T118 WeakPolarHBondContact CB-OG1 3.23Å; S115-T118 WeakPolarHBondContact O-CB 3.5Å; S115-T118 PolarHBondContact O-N 3.18Å
116	P	97.7	Very high	97.9	Very high	44 Å²	44	35.9 Å²	35.9	29%	0.286	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.8	-172	23.7	-32.9	0	0	0	114.4	V112 T135 Y136 R137	V112-P116 HydrophobicContact CG1-CB 4.1Å; V112-P116 WeakPolarHBondContact O-CB 3.42Å; V112-P116 VanDerWaalsContact O-CD 3.3Å; V112-P116 WeakPolarHBondContact O-CD 3.41Å; P116-T135 WeakPolarHBondContact O-CB 3.44Å; P116-Y136 PolarHBondContact O-N 2.97Å; P116-R137 HydrophobicContact CB-CB 4.15Å; P116-R137 PolarHBondContact O-N 3.06Å
117	E	98.5	Very high	97.8	Very high	98 Å²	98	40.4 Å²	40.4	46%	0.458	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.9	-178.3	-52.3	-52.6	132	0	0	113.5	S115 I119 T135 R137	S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 3.38Å; E117-I119 PolarHBondContact O-N 3.22Å; E117-T135 WeakPolarHBondContact O-CG2 3.41Å; E117-R137 VanDerWaalsContact CD-NH2 3.33Å; E117-R137 IonicContact OE1-CZ 3.79Å; E117-R137 IonicContact OE1-NE 3.39Å; E117-R137 IonicContact OE1-NH1 2.72Å; E117-R137 PolarHBondContact OE1-NH1 3.05Å; E117-R137 IonicContact OE1-NH2 2.76Å; E117-R137 PolarHBondContact OE1-NH2 3.45Å; E117-R137 VanDerWaalsContact OE1-NH2 3.14Å; E117-R137 IonicContact OE2-CZ 3.94Å; E117-R137 IonicContact OE2-NH1 3.67Å; E117-R137 IonicContact OE2-NH2 3.14Å; E117-R137 PolarHBondContact OE2-NH2 2.84Å
118	T	98.3	Very high	97.5	Very high	60 Å²	60	42.5 Å²	42.5	37%	0.368	22%	0.217	S	C	.	.	S	Bend	trans	-64.3	137.6	172.5	-66.7	0	0	0	0	109.1	S115 A120 T135 Y136	S115-T118 VanDerWaalsContact CB-OG1 3.31Å; S115-T118 WeakPolarHBondContact CB-OG1 3.23Å; S115-T118 WeakPolarHBondContact O-CB 3.5Å; S115-T118 PolarHBondContact O-N 3.18Å; T118-A120 PolarHBondContact O-N 3.2Å; T118-T135 CarbonylContact O-C 3.54Å; T118-T135 VanDerWaalsContact O-CA 3.28Å; T118-T135 WeakPolarHBondContact O-CA 3.36Å; T118-Y136 HydrophobicContact CG2-CD2 4.33Å; T118-Y136 HydrophobicContact CG2-CE2 4.33Å; T118-Y136 WeakPolarHBondContact O-CD2 3.38Å; T118-Y136 PolarHBondContact O-N 3.43Å
119	I	98.8	Very high	97.2	Very high	45 Å²	45	44.8 Å²	44.8	23%	0.231	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	120.4	177.2	-55.9	-50.8	0	0	0	109.1	E117 L121 I122 R133 T135 T349	E117-I119 PolarHBondContact O-N 3.22Å; I119-L121 VanDerWaalsContact CG2-O 3.3Å; I119-L121 WeakPolarHBondContact CG2-O 3.29Å; I119-I122 HydrophobicContact CG2-CG1 3.84Å; I119-R133 HydrophobicContact CD1-CB 3.95Å; I119-R133 HydrophobicContact CG1-CB 4.41Å; I119-R133 HydrophobicContact CG2-CB 4.17Å; I119-T135 HydrophobicContact CD1-CG2 3.96Å; I119-T349 HydrophobicContact CB-CG2 4.19Å; I119-T349 HydrophobicContact CG2-CG2 3.89Å; I119-T349 WeakPolarHBondContact O-CB 3.44Å; I119-T349 PolarHBondContact O-OG1 3.19Å
120	A	98.8	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-49.2	171.3	0	0	0	0	0	110.1	T118 I134 Y136 L139 L344 T349 T350	T118-A120 PolarHBondContact O-N 3.2Å; A120-I134 PolarHBondContact N-O 2.92Å; A120-Y136 HydrophobicContact CB-CD1 3.96Å; A120-Y136 HydrophobicContact CB-CD2 3.69Å; A120-Y136 HydrophobicContact CB-CE1 3.96Å; A120-Y136 HydrophobicContact CB-CE2 3.67Å; A120-Y136 HydrophobicContact CB-CG 3.81Å; A120-L139 HydrophobicContact CB-CD2 3.96Å; A120-L344 HydrophobicContact CB-CD2 4.08Å; A120-T349 WeakPolarHBondContact O-CA 3.44Å; A120-T350 PolarHBondContact O-N 2.99Å
121	L	98.9	Very high	97.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135	-173	-50.1	172.6	0	0	0	110.9	I119 R133 I134 L139 P169 V172 L344 T350 L352	I119-L121 VanDerWaalsContact CG2-O 3.3Å; I119-L121 WeakPolarHBondContact CG2-O 3.29Å; L121-R133 WeakPolarHBondContact O-CA 3.41Å; L121-I134 HydrophobicContact CB-CB 4.27Å; L121-I134 PolarHBondContact N-O 2.89Å; L121-I134 VanDerWaalsContact N-O 3.1Å; L121-I134 PolarHBondContact O-N 2.85Å; L121-L139 HydrophobicContact CD1-CD1 3.77Å; L121-L139 HydrophobicContact CD1-CD2 3.82Å; L121-L139 HydrophobicContact CD1-CG 4.35Å; L121-L139 HydrophobicContact CD2-CD2 4.36Å; L121-L139 HydrophobicContact CG-CD2 3.97Å; L121-P169 HydrophobicContact CD1-CB 4.29Å; L121-V172 HydrophobicContact CD1-CB 4.24Å; L121-V172 HydrophobicContact CD1-CG1 4.18Å; L121-V172 HydrophobicContact CD2-CG1 4.35Å; L121-L344 HydrophobicContact CD2-CD2 4.21Å; L121-T350 WeakPolarHBondContact CA-O 3.25Å; L121-T350 HydrophobicContact CD2-CG2 3.51Å; L121-L352 HydrophobicContact CB-CD1 4.28Å; L121-L352 HydrophobicContact CB-CG 4.47Å; L121-L352 HydrophobicContact CD1-CD1 4.05Å; L121-L352 HydrophobicContact CD2-CD1 4.32Å; L121-L352 HydrophobicContact CD2-CD2 4.34Å; L121-L352 HydrophobicContact CD2-CG 4.37Å; L121-L352 HydrophobicContact CG-CD1 4.45Å
122	I	98.7	Very high	97.1	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	105.2	161.9	-54.6	175.9	0	0	0	107.6	I119 E124 E131 R133 V323 T349 T350 V351 L352 L372	I119-I122 HydrophobicContact CG2-CG1 3.84Å; I122-E124 PolarHBondContact O-N 3.43Å; I122-E131 HydrophobicContact CG2-CB 4.16Å; I122-E131 HydrophobicContact CG2-CG 4.19Å; I122-R133 HydrophobicContact CG1-CG 4.39Å; I122-V323 HydrophobicContact CD1-CG1 3.96Å; I122-V323 HydrophobicContact CD1-CG2 4.34Å; I122-T349 HydrophobicContact CD1-CG2 3.66Å; I122-T349 HydrophobicContact CG1-CG2 3.71Å; I122-T350 PolarHBondContact N-O 2.81Å; I122-V351 HydrophobicContact CB-CG2 4.46Å; I122-V351 CarbonylContact O-C 3.51Å; I122-V351 WeakPolarHBondContact O-CA 3.45Å; I122-L352 PolarHBondContact O-N 3.24Å; I122-L372 HydrophobicContact CG2-CD1 3.77Å; I122-L372 HydrophobicContact CG2-CD2 3.9Å; I122-L372 HydrophobicContact CG2-CG 4.46Å
123	W	98.6	Very high	97.1	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	98.3	175	-174.6	30.3	0	0	0	110.9	V10 R125 E131 V132 V167 P169 L352 E354	V10-W123 HydrophobicContact CG1-CZ3 4.39Å; W123-R125 HydrophobicContact CD2-CG 3.67Å; W123-R125 HydrophobicContact CE3-CG 3.89Å; W123-R125 HydrophobicContact CG-CG 4.21Å; W123-R125 HydrophobicContact CH2-CG 4.2Å; W123-R125 HydrophobicContact CZ2-CG 3.99Å; W123-R125 HydrophobicContact CZ3-CG 4.15Å; W123-R125 PolarHBondContact O-N 3.08Å; W123-R125 VanDerWaalsContact O-N 3.13Å; W123-E131 CarbonylContact O-C 3.24Å; W123-E131 WeakPolarHBondContact O-CA 3.4Å; W123-E131 WeakPolarHBondContact O-CB 3.48Å; W123-V132 HydrophobicContact CB-CB 4.3Å; W123-V132 HydrophobicContact CE3-CB 4.21Å; W123-V132 HydrophobicContact CE3-CG2 3.93Å; W123-V132 PolarHBondContact N-O 3.29Å; W123-V132 PolarHBondContact O-N 3.06Å; W123-V167 PolarHBondContact NE1-O 3.08Å; W123-P169 HydrophobicContact CB-CG 3.76Å; W123-P169 HydrophobicContact CD2-CG 3.85Å; W123-P169 HydrophobicContact CE3-CG 3.77Å; W123-P169 VanDerWaalsContact CG-CD 3.47Å; W123-P169 HydrophobicContact CG-CG 3.89Å; W123-L352 HydrophobicContact CB-CB 4.41Å; W123-L352 HydrophobicContact CG-CB 4.49Å; W123-E354 WeakPolarHBondContact CZ2-OE1 3.44Å
124	E	97.5	Very high	97.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	92.9	171.4	-175.2	60.3	-152.7	0	0	108.5	I122 V351 L352 F353 E354 R364 T368 R371	I122-E124 PolarHBondContact O-N 3.43Å; E124-V351 HydrophobicContact CB-CG1 4.18Å; E124-L352 PolarHBondContact N-O 2.97Å; E124-F353 HydrophobicContact CB-CD2 4.23Å; E124-F353 HydrophobicContact CG-CD2 3.88Å; E124-F353 HydrophobicContact CG-CE2 4.17Å; E124-E354 WeakPolarHBondContact O-CB 2.89Å; E124-E354 PolarHBondContact O-N 3.04Å; E124-R364 IonicContact OE1-CZ 3.67Å; E124-R364 IonicContact OE1-NH1 2.98Å; E124-R364 PolarHBondContact OE1-NH1 3.32Å; E124-R364 IonicContact OE1-NH2 3.12Å; E124-R364 PolarHBondContact OE1-NH2 3.27Å; E124-T368 HydrophobicContact CG-CG2 3.96Å; E124-R371 IonicContact OE1-CZ 3.81Å; E124-R371 IonicContact OE1-NH1 2.92Å; E124-R371 IonicContact OE1-NH2 3.53Å; E124-R371 PolarHBondContact OE1-NH2 3.43Å; E124-R371 IonicContact OE2-CZ 3.74Å; E124-R371 IonicContact OE2-NH1 3.84Å; E124-R371 PolarHBondContact OE2-NH1 3.01Å; E124-R371 IonicContact OE2-NH2 2.73Å; E124-R371 PolarHBondContact OE2-NH2 2.79Å
125	R	97	Very high	97.3	Very high	66 Å²	66	39.9 Å²	39.9	25%	0.249	22%	0.218	C	C	.	.			trans	-64.7	165.3	178	-77.4	-171.4	-83.7	-173.6	-6.1	111.5	W123 E127 T130 E354 R364	W123-R125 HydrophobicContact CD2-CG 3.67Å; W123-R125 HydrophobicContact CE3-CG 3.89Å; W123-R125 HydrophobicContact CG-CG 4.21Å; W123-R125 HydrophobicContact CH2-CG 4.2Å; W123-R125 HydrophobicContact CZ2-CG 3.99Å; W123-R125 HydrophobicContact CZ3-CG 4.15Å; W123-R125 PolarHBondContact O-N 3.08Å; W123-R125 VanDerWaalsContact O-N 3.13Å; R125-E127 PolarHBondContact O-N 2.89Å; R125-T130 WeakPolarHBondContact CB-OG1 3.29Å; R125-T130 PolarHBondContact NE-O 2.68Å; R125-T130 PolarHBondContact NH2-O 3.12Å; R125-E354 WeakPolarHBondContact CA-OE2 3.44Å; R125-R364 PolarHBondContact O-NH2 2.91Å
126	D	95.5	Very high	97.4	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-53.4	-41.7	-176.4	-157.9	30.5	0	0	0	112.8	L216 G218 G219 E354 S355 R364	D126-L216 HydrophobicContact CB-CB 4.3Å; D126-G218 VanDerWaalsContact CG-N 3.3Å; D126-G218 PolarHBondContact OD1-N 2.66Å; D126-G218 PolarHBondContact OD2-N 2.91Å; D126-G218 VanDerWaalsContact OD2-N 3.1Å; D126-G219 PolarHBondContact OD2-N 3.39Å; D126-E354 PolarHBondContact N-OE2 3.22Å; D126-S355 PolarHBondContact O-OG 2.86Å; D126-S355 WeakPolarHBondContact OD1-CA 3.4Å; D126-S355 VanDerWaalsContact OD1-CB 3.24Å; D126-S355 WeakPolarHBondContact OD1-CB 3.42Å; D126-S355 PolarHBondContact OD1-OG 3.42Å; D126-R364 PolarHBondContact O-NH2 2.96Å
127	E	95.8	Very high	97.5	Very high	94 Å²	94	39.4 Å²	39.4	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-81.1	125	176.2	-65.8	-56.6	146.5	0	0	112.5	R125 T130 Y359	R125-E127 PolarHBondContact O-N 2.89Å; E127-T130 HydrophobicContact CB-CG2 3.86Å; E127-T130 PolarHBondContact O-N 3.01Å; E127-T130 PolarHBondContact O-OG1 2.92Å; E127-Y359 PolarHBondContact OE1-OH 3.36Å
128	P	91.9	Very high	97.5	Very high	45 Å²	45	36.9 Å²	36.9	29%	0.292	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	141.7	177.9	-23.7	31.2	0	0	0	114	T130 P360	P128-T130 PolarHBondContact O-N 3.44Å; P128-P360 VanDerWaalsContact CG-CD 3.42Å; P128-P360 HydrophobicContact CG-CG 3.93Å
129	G	92.9	Very high	97.5	Very high	47 Å²	47	34.1 Å²	34.1	49%	0.485	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	12.2	177.4	0	0	0	0	0	114.8
130	T	96.3	Very high	97.5	Very high	57 Å²	57	33.1 Å²	33.1	35%	0.35	17%	0.167	S	C	.	.			trans	-106	23.3	176.5	70.7	0	0	0	0	112.7	R125 E127 P128	R125-T130 WeakPolarHBondContact CB-OG1 3.29Å; R125-T130 PolarHBondContact NE-O 2.68Å; R125-T130 PolarHBondContact NH2-O 3.12Å; E127-T130 HydrophobicContact CB-CG2 3.86Å; E127-T130 PolarHBondContact O-N 3.01Å; E127-T130 PolarHBondContact O-OG1 2.92Å; P128-T130 PolarHBondContact O-N 3.44Å
131	E	97.6	Very high	97.5	Very high	37 Å²	37	36.3 Å²	36.3	17%	0.173	18%	0.182	C	C	.	.			trans	-60	149.8	-174	75.5	-81	-170.5	0	0	113.4	I122 W123 R133 R371 L372	I122-E131 HydrophobicContact CG2-CB 4.16Å; I122-E131 HydrophobicContact CG2-CG 4.19Å; W123-E131 CarbonylContact O-C 3.24Å; W123-E131 WeakPolarHBondContact O-CA 3.4Å; W123-E131 WeakPolarHBondContact O-CB 3.48Å; E131-R133 IonicContact OE1-CZ 2.69Å; E131-R133 VanDerWaalsContact OE1-CZ 3.22Å; E131-R133 IonicContact OE1-NH1 3.08Å; E131-R133 PolarHBondContact OE1-NH1 3.38Å; E131-R133 IonicContact OE1-NH2 2.64Å; E131-R133 PolarHBondContact OE1-NH2 3.49Å; E131-R371 VanDerWaalsContact CD-NH1 3.25Å; E131-R371 IonicContact OE1-NH1 3.66Å; E131-R371 IonicContact OE2-CZ 3.71Å; E131-R371 IonicContact OE2-NH1 2.88Å; E131-R371 PolarHBondContact OE2-NH1 3.11Å; E131-L372 HydrophobicContact CG-CD2 4.1Å
132	V	98.3	Very high	97.5	Very high	25 Å²	25	38.5 Å²	38.5	15%	0.152	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128	169.6	-174.7	0	0	0	0	108.4	W123 I134	W123-V132 HydrophobicContact CB-CB 4.3Å; W123-V132 HydrophobicContact CE3-CB 4.21Å; W123-V132 HydrophobicContact CE3-CG2 3.93Å; W123-V132 PolarHBondContact N-O 3.29Å; W123-V132 PolarHBondContact O-N 3.06Å; V132-I134 HydrophobicContact CG1-CD1 4.33Å; V132-I134 HydrophobicContact CG1-CG1 3.95Å
133	R	98.7	Very high	97.5	Very high	111 Å²	111	38.2 Å²	38.2	42%	0.419	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.6	172.2	-64.1	-178.3	176.5	71	6.1	108.7	I119 L121 I122 E131	I119-R133 HydrophobicContact CD1-CB 3.95Å; I119-R133 HydrophobicContact CG1-CB 4.41Å; I119-R133 HydrophobicContact CG2-CB 4.17Å; L121-R133 WeakPolarHBondContact O-CA 3.41Å; I122-R133 HydrophobicContact CG1-CG 4.39Å; E131-R133 IonicContact OE1-CZ 2.69Å; E131-R133 VanDerWaalsContact OE1-CZ 3.22Å; E131-R133 IonicContact OE1-NH1 3.08Å; E131-R133 PolarHBondContact OE1-NH1 3.38Å; E131-R133 IonicContact OE1-NH2 2.64Å; E131-R133 PolarHBondContact OE1-NH2 3.49Å
134	I	98.8	Very high	97.6	Very high	18 Å²	18	37.9 Å²	37.9	9%	0.092	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.9	-177.7	-59.8	174.8	0	0	0	108.1	A120 L121 V132 E138 L139 P169	A120-I134 PolarHBondContact N-O 2.92Å; L121-I134 HydrophobicContact CB-CB 4.27Å; L121-I134 PolarHBondContact N-O 2.89Å; L121-I134 VanDerWaalsContact N-O 3.1Å; L121-I134 PolarHBondContact O-N 2.85Å; V132-I134 HydrophobicContact CG1-CD1 4.33Å; V132-I134 HydrophobicContact CG1-CG1 3.95Å; I134-E138 HydrophobicContact CG2-CB 3.75Å; I134-L139 HydrophobicContact CG2-CB 4.11Å; I134-P169 HydrophobicContact CD1-CB 3.22Å; I134-P169 HydrophobicContact CD1-CG 3.27Å
135	T	98.9	Very high	97.6	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	160.2	177	60.3	0	0	0	0	111.8	P116 E117 T118 I119 R137 E138 L139	P116-T135 WeakPolarHBondContact O-CB 3.44Å; E117-T135 WeakPolarHBondContact O-CG2 3.41Å; T118-T135 CarbonylContact O-C 3.54Å; T118-T135 VanDerWaalsContact O-CA 3.28Å; T118-T135 WeakPolarHBondContact O-CA 3.36Å; I119-T135 HydrophobicContact CD1-CG2 3.96Å; T135-R137 PolarHBondContact O-N 3.37Å; T135-E138 WeakPolarHBondContact CB-OE2 3.35Å; T135-E138 WeakPolarHBondContact CG2-OE2 3.4Å; T135-E138 PolarHBondContact N-OE2 2.86Å; T135-E138 PolarHBondContact O-N 2.83Å; T135-E138 WeakPolarHBondContact OG1-CB 3.48Å; T135-E138 VanDerWaalsContact OG1-CD 3.25Å; T135-E138 WeakPolarHBondContact OG1-CG 3.35Å; T135-E138 PolarHBondContact OG1-N 3.18Å; T135-E138 VanDerWaalsContact OG1-N 3.13Å; T135-E138 PolarHBondContact OG1-OE2 2.8Å; T135-L139 WeakPolarHBondContact O-CB 3.23Å; T135-L139 PolarHBondContact O-N 2.94Å
136	Y	98.8	Very high	97.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-38.5	171.1	-87.8	-82.6	0	0	0	112.2	C107 L108 H111 V112 P116 T118 A120 L139 L140 L344 G347 A348	C107-Y136 WeakPolarHBondContact O-CE1 3.5Å; L108-Y136 HydrophobicContact CD2-CD1 4.2Å; H111-Y136 HydrophobicContact CB-CD1 3.77Å; H111-Y136 HydrophobicContact CB-CE1 3.94Å; H111-Y136 HydrophobicContact CB-CG 4.1Å; H111-Y136 AromaticContact CD2-CE1 3.88Å; V112-Y136 WeakPolarHBondContact CG2-O 3.3Å; P116-Y136 PolarHBondContact O-N 2.97Å; T118-Y136 HydrophobicContact CG2-CD2 4.33Å; T118-Y136 HydrophobicContact CG2-CE2 4.33Å; T118-Y136 WeakPolarHBondContact O-CD2 3.38Å; T118-Y136 PolarHBondContact O-N 3.43Å; A120-Y136 HydrophobicContact CB-CD1 3.96Å; A120-Y136 HydrophobicContact CB-CD2 3.69Å; A120-Y136 HydrophobicContact CB-CE1 3.96Å; A120-Y136 HydrophobicContact CB-CE2 3.67Å; A120-Y136 HydrophobicContact CB-CG 3.81Å; Y136-L139 PolarHBondContact O-N 2.9Å; Y136-L140 WeakPolarHBondContact O-CB 3.32Å; Y136-L140 PolarHBondContact O-N 3.05Å; Y136-L344 HydrophobicContact CE1-CD2 4.05Å; Y136-G347 VanDerWaalsContact OH-CA 3.23Å; Y136-G347 WeakPolarHBondContact OH-CA 3.25Å; Y136-G347 PolarHBondContact OH-O 3Å; Y136-A348 PolarHBondContact OH-N 2.96Å; Y136-A348 PolarHBondContact OH-O 3.07Å
137	R	98.8	Very high	97.9	Very high	94 Å²	94	37.3 Å²	37.3	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-53.8	174.2	-178.6	-175.1	63.2	-142.8	-20.1	111.4	P116 E117 T135 L139 L140 E141	P116-R137 HydrophobicContact CB-CB 4.15Å; P116-R137 PolarHBondContact O-N 3.06Å; E117-R137 VanDerWaalsContact CD-NH2 3.33Å; E117-R137 IonicContact OE1-CZ 3.79Å; E117-R137 IonicContact OE1-NE 3.39Å; E117-R137 IonicContact OE1-NH1 2.72Å; E117-R137 PolarHBondContact OE1-NH1 3.05Å; E117-R137 IonicContact OE1-NH2 2.76Å; E117-R137 PolarHBondContact OE1-NH2 3.45Å; E117-R137 VanDerWaalsContact OE1-NH2 3.14Å; E117-R137 IonicContact OE2-CZ 3.94Å; E117-R137 IonicContact OE2-NH1 3.67Å; E117-R137 IonicContact OE2-NH2 3.14Å; E117-R137 PolarHBondContact OE2-NH2 2.84Å; T135-R137 PolarHBondContact O-N 3.37Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 3.12Å; R137-L140 PolarHBondContact O-N 2.81Å; R137-L140 VanDerWaalsContact O-N 3.15Å; R137-E141 HydrophobicContact CG-CG 4.37Å; R137-E141 WeakPolarHBondContact CG-OE1 3.3Å; R137-E141 WeakPolarHBondContact O-CG 3.04Å; R137-E141 PolarHBondContact O-N 3Å
138	E	98.8	Very high	98	Very high	45 Å²	45	34.1 Å²	34.1	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-37.4	-177.9	-71.8	162.6	143.5	0	0	112	L14 I134 T135 E141 T142	L14-E138 HydrophobicContact CD2-CG 4.37Å; I134-E138 HydrophobicContact CG2-CB 3.75Å; T135-E138 WeakPolarHBondContact CB-OE2 3.35Å; T135-E138 WeakPolarHBondContact CG2-OE2 3.4Å; T135-E138 PolarHBondContact N-OE2 2.86Å; T135-E138 PolarHBondContact O-N 2.83Å; T135-E138 WeakPolarHBondContact OG1-CB 3.48Å; T135-E138 VanDerWaalsContact OG1-CD 3.25Å; T135-E138 WeakPolarHBondContact OG1-CG 3.35Å; T135-E138 PolarHBondContact OG1-N 3.18Å; T135-E138 VanDerWaalsContact OG1-N 3.13Å; T135-E138 PolarHBondContact OG1-OE2 2.8Å; E138-E141 PolarHBondContact O-N 3.21Å; E138-T142 WeakPolarHBondContact O-CB 3.35Å; E138-T142 PolarHBondContact O-N 3.42Å; E138-T142 PolarHBondContact O-OG1 3.4Å
139	L	98.9	Very high	98.4	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-41.3	175.4	-177	56.5	0	0	0	111.6	L108 A120 L121 I134 T135 Y136 R137 T143 V172 A173 L176 L344	L108-L139 HydrophobicContact CD2-CB 4.23Å; L108-L139 HydrophobicContact CD2-CD2 3.51Å; L108-L139 HydrophobicContact CD2-CG 3.67Å; A120-L139 HydrophobicContact CB-CD2 3.96Å; L121-L139 HydrophobicContact CD1-CD1 3.77Å; L121-L139 HydrophobicContact CD1-CD2 3.82Å; L121-L139 HydrophobicContact CD1-CG 4.35Å; L121-L139 HydrophobicContact CD2-CD2 4.36Å; L121-L139 HydrophobicContact CG-CD2 3.97Å; I134-L139 HydrophobicContact CG2-CB 4.11Å; T135-L139 WeakPolarHBondContact O-CB 3.23Å; T135-L139 PolarHBondContact O-N 2.94Å; Y136-L139 PolarHBondContact O-N 2.9Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 3.12Å; L139-T143 VanDerWaalsContact O-CB 3.24Å; L139-T143 WeakPolarHBondContact O-CB 3.26Å; L139-T143 PolarHBondContact O-N 2.85Å; L139-T143 PolarHBondContact O-OG1 3.11Å; L139-V172 HydrophobicContact CD1-CG1 4.37Å; L139-V172 HydrophobicContact CD2-CG1 4.45Å; L139-A173 HydrophobicContact CD1-CB 4.25Å; L139-L176 HydrophobicContact CD2-CD1 4.21Å; L139-L176 HydrophobicContact CG-CD1 4.41Å; L139-L344 HydrophobicContact CD2-CD1 4.2Å; L139-L344 HydrophobicContact CD2-CD2 4.36Å
140	L	98.9	Very high	98.6	Very high	23 Å²	23	29.8 Å²	29.8	12%	0.12	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-46.1	174.3	178.2	60.5	0	0	0	112.2	L108 D109 V112 Y136 R137 T142 T143 C144	L108-L140 HydrophobicContact CB-CB 4.38Å; L108-L140 HydrophobicContact CB-CD1 4.07Å; L108-L140 HydrophobicContact CD1-CB 4.42Å; L108-L140 HydrophobicContact CD1-CD1 4.1Å; D109-L140 WeakPolarHBondContact OD2-CD1 3.47Å; V112-L140 HydrophobicContact CB-CD2 4.12Å; V112-L140 HydrophobicContact CG1-CD2 4.06Å; V112-L140 HydrophobicContact CG2-CB 4.06Å; V112-L140 HydrophobicContact CG2-CD2 3.83Å; Y136-L140 WeakPolarHBondContact O-CB 3.32Å; Y136-L140 PolarHBondContact O-N 3.05Å; R137-L140 PolarHBondContact O-N 2.81Å; R137-L140 VanDerWaalsContact O-N 3.15Å; L140-T142 VanDerWaalsContact C-N 3.35Å; L140-T142 PolarHBondContact O-N 2.93Å; L140-T143 PolarHBondContact O-N 3.21Å; L140-C144 WeakPolarHBondContact O-CB 3.25Å; L140-C144 PolarHBondContact O-N 3.33Å; L140-C144 PolarHBondContact O-SG 2.88Å
141	E	98.8	Very high	98.7	Very high	67 Å²	67	30 Å²	30	31%	0.313	14%	0.135	S	C	.	.	H	α-helix	trans	-62.5	-43.1	178.4	-67.4	-179.3	-178.5	0	0	111.6	R137 E138 C144 R145 P269	R137-E141 HydrophobicContact CG-CG 4.37Å; R137-E141 WeakPolarHBondContact CG-OE1 3.3Å; R137-E141 WeakPolarHBondContact O-CG 3.04Å; R137-E141 PolarHBondContact O-N 3Å; E138-E141 PolarHBondContact O-N 3.21Å; E141-C144 PolarHBondContact O-N 2.71Å; E141-R145 VanDerWaalsContact O-CG 3.32Å; E141-R145 WeakPolarHBondContact O-CG 3.44Å; E141-R145 PolarHBondContact O-N 3.41Å; E141-P269 HydrophobicContact CB-CB 3.99Å; E141-P269 HydrophobicContact CG-CB 3.95Å
142	T	98.8	Very high	98.8	Very high	47 Å²	47	33.5 Å²	33.5	29%	0.288	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-45.1	176.3	-56.2	0	0	0	0	111	E138 L140 C144 R145 L146 L170 A173 M264	E138-T142 WeakPolarHBondContact O-CB 3.35Å; E138-T142 PolarHBondContact O-N 3.42Å; E138-T142 PolarHBondContact O-OG1 3.4Å; L140-T142 VanDerWaalsContact C-N 3.35Å; L140-T142 PolarHBondContact O-N 2.93Å; T142-C144 PolarHBondContact O-N 2.59Å; T142-R145 PolarHBondContact O-N 2.97Å; T142-L146 WeakPolarHBondContact O-CB 3.47Å; T142-L146 PolarHBondContact O-N 3.45Å; T142-L170 HydrophobicContact CG2-CD1 4.48Å; T142-A173 HydrophobicContact CG2-CB 3.79Å; T142-M264 HydrophobicContact CG2-CE 3.86Å
143	T	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-45.8	176.5	-62.8	0	0	0	0	111.2	L108 L139 L140 L146 A147 L176 A177	L108-T143 HydrophobicContact CD1-CG2 4.04Å; L139-T143 VanDerWaalsContact O-CB 3.24Å; L139-T143 WeakPolarHBondContact O-CB 3.26Å; L139-T143 PolarHBondContact O-N 2.85Å; L139-T143 PolarHBondContact O-OG1 3.11Å; L140-T143 PolarHBondContact O-N 3.21Å; T143-L146 PolarHBondContact O-N 2.87Å; T143-A147 WeakPolarHBondContact O-CB 3.36Å; T143-A147 PolarHBondContact O-N 3.46Å; T143-L176 HydrophobicContact CG2-CB 3.76Å; T143-A177 HydrophobicContact CG2-CB 4.23Å
144	C	98.9	Very high	98.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-43.5	179	-74.3	0	0	0	0	112.7	L140 E141 T142 L146 A147 N148 P269 C271	L140-C144 WeakPolarHBondContact O-CB 3.25Å; L140-C144 PolarHBondContact O-N 3.33Å; L140-C144 PolarHBondContact O-SG 2.88Å; E141-C144 PolarHBondContact O-N 2.71Å; T142-C144 PolarHBondContact O-N 2.59Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact O-N 2.8Å; C144-A147 PolarHBondContact O-N 2.97Å; C144-N148 WeakPolarHBondContact O-CB 3.29Å; C144-N148 VanDerWaalsContact O-CG 3.32Å; C144-N148 PolarHBondContact O-N 3.15Å; C144-N148 PolarHBondContact O-ND2 3.25Å; C144-P269 WeakPolarHBondContact CB-O 3.45Å; C144-C271 HydrophobicContact CB-CB 3.91Å; C144-C271 PolarHBondContact SG-N 2.77Å; C144-C271 VanDerWaalsContact SG-N 3.39Å
145	R	98.9	Very high	98.7	Very high	58 Å²	58	29 Å²	29	22%	0.219	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-43.7	176.2	-72.4	171.9	-178.1	-73.6	-8.1	111.5	E141 T142 N148 T149 M264 E267	E141-R145 VanDerWaalsContact O-CG 3.32Å; E141-R145 WeakPolarHBondContact O-CG 3.44Å; E141-R145 PolarHBondContact O-N 3.41Å; T142-R145 PolarHBondContact O-N 2.97Å; R145-N148 PolarHBondContact O-N 2.84Å; R145-T149 WeakPolarHBondContact O-CB 3.31Å; R145-T149 PolarHBondContact O-N 3.33Å; R145-T149 PolarHBondContact O-OG1 2.86Å; R145-M264 HydrophobicContact CB-CB 4.28Å; R145-M264 HydrophobicContact CB-CE 4.1Å; R145-M264 PolarHBondContact NH1-O 3.31Å; R145-E267 HydrophobicContact CB-CB 4.4Å; R145-E267 PolarHBondContact NH1-O 2.92Å
146	L	98.9	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-42.9	177.6	-176.7	50.8	0	0	0	111.7	T142 T143 C144 N148 T149 L150 L170 A173 A174 A177 L260 M264	T142-L146 WeakPolarHBondContact O-CB 3.47Å; T142-L146 PolarHBondContact O-N 3.45Å; T143-L146 PolarHBondContact O-N 2.87Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact O-N 2.8Å; L146-N148 PolarHBondContact O-N 3.46Å; L146-T149 WeakPolarHBondContact O-CB 3.4Å; L146-T149 PolarHBondContact O-N 3.02Å; L146-T149 VanDerWaalsContact O-N 3.17Å; L146-L150 HydrophobicContact CD1-CG 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.45Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.44Å; L146-L170 HydrophobicContact CD2-CD1 4.15Å; L146-A173 HydrophobicContact CD2-CB 4.4Å; L146-A174 VanDerWaalsContact CD2-CA 3.4Å; L146-A174 HydrophobicContact CD2-CB 3.75Å; L146-A177 HydrophobicContact CB-CB 4.01Å; L146-A177 HydrophobicContact CD2-CB 4.23Å; L146-A177 HydrophobicContact CG-CB 3.87Å; L146-L260 HydrophobicContact CD1-CD1 3.66Å; L146-L260 HydrophobicContact CD1-CD2 4.23Å; L146-L260 HydrophobicContact CD1-CG 4.43Å; L146-M264 HydrophobicContact CB-CE 3.89Å; L146-M264 HydrophobicContact CB-SD 4.17Å; L146-M264 HydrophobicContact CD1-CG 4.46Å; L146-M264 HydrophobicContact CD1-SD 4.02Å
147	A	98.9	Very high	98.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-45.9	175.2	0	0	0	0	0	112.4	T143 C144 T149 L150 K151 A177 I181 C271	T143-A147 WeakPolarHBondContact O-CB 3.36Å; T143-A147 PolarHBondContact O-N 3.46Å; C144-A147 PolarHBondContact O-N 2.97Å; A147-T149 VanDerWaalsContact C-N 3.34Å; A147-L150 PolarHBondContact O-N 3.35Å; A147-K151 PolarHBondContact O-N 3.41Å; A147-A177 HydrophobicContact CB-CB 4Å; A147-I181 HydrophobicContact CB-CG2 3.62Å; A147-C271 HydrophobicContact CB-CB 4.12Å
148	N	98.9	Very high	98.6	Very high	27 Å²	27	36 Å²	36	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-37.8	175.2	-72.1	-27.2	0	0	0	111.9	C144 R145 L146 K151 R152 E267 A268 V270 C271	C144-N148 WeakPolarHBondContact O-CB 3.29Å; C144-N148 VanDerWaalsContact O-CG 3.32Å; C144-N148 PolarHBondContact O-N 3.15Å; C144-N148 PolarHBondContact O-ND2 3.25Å; R145-N148 PolarHBondContact O-N 2.84Å; L146-N148 PolarHBondContact O-N 3.46Å; N148-K151 PolarHBondContact O-N 3.1Å; N148-R152 PolarHBondContact O-N 3.31Å; N148-E267 HydrophobicContact CB-CB 3.87Å; N148-E267 HydrophobicContact CB-CG 3.9Å; N148-E267 WeakPolarHBondContact CB-OE2 3.47Å; N148-A268 PolarHBondContact ND2-O 2.98Å; N148-V270 PolarHBondContact ND2-O 3.24Å; N148-C271 WeakPolarHBondContact OD1-CB 3.42Å; N148-C271 PolarHBondContact OD1-SG 2.82Å
149	T	98.8	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.1	-57.2	0	0	0	0	110.6	R145 L146 A147 R152 H153 L242 L260 E263 M264 E267	R145-T149 WeakPolarHBondContact O-CB 3.31Å; R145-T149 PolarHBondContact O-N 3.33Å; R145-T149 PolarHBondContact O-OG1 2.86Å; L146-T149 WeakPolarHBondContact O-CB 3.4Å; L146-T149 PolarHBondContact O-N 3.02Å; L146-T149 VanDerWaalsContact O-N 3.17Å; A147-T149 VanDerWaalsContact C-N 3.34Å; T149-R152 PolarHBondContact O-N 2.88Å; T149-H153 PolarHBondContact O-CD2 2.85Å; T149-H153 PolarHBondContact O-N 2.95Å; T149-H153 VanDerWaalsContact O-N 3.1Å; T149-L242 HydrophobicContact CG2-CD2 4.07Å; T149-L260 HydrophobicContact CG2-CD1 4.07Å; T149-E263 HydrophobicContact CG2-CB 3.88Å; T149-M264 WeakPolarHBondContact OG1-CA 3.24Å; T149-M264 WeakPolarHBondContact OG1-CG 3.49Å; T149-E267 VanDerWaalsContact OG1-CG 3.31Å; T149-E267 WeakPolarHBondContact OG1-CG 3.43Å
150	L	98.8	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-46.7	175.9	-71.4	172.3	0	0	0	111.6	L146 A147 R152 H153 G154 V155 A177 I181 I210 L242	L146-L150 HydrophobicContact CD1-CG 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.45Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.44Å; A147-L150 PolarHBondContact O-N 3.35Å; L150-R152 PolarHBondContact O-N 3.14Å; L150-H153 CarbonylContact O-C 3.56Å; L150-H153 PolarHBondContact O-N 3.37Å; L150-G154 PolarHBondContact O-N 2.92Å; L150-V155 HydrophobicContact CB-CB 4.02Å; L150-V155 HydrophobicContact CB-CG1 4.46Å; L150-V155 HydrophobicContact CB-CG2 4.35Å; L150-V155 HydrophobicContact CD2-CG2 4.11Å; L150-V155 WeakPolarHBondContact O-CB 3.36Å; L150-V155 PolarHBondContact O-N 3.48Å; L150-A177 HydrophobicContact CD1-CB 4.21Å; L150-I181 HydrophobicContact CB-CD1 3.83Å; L150-I181 HydrophobicContact CD1-CD1 4.26Å; L150-I210 HydrophobicContact CD1-CD1 4.45Å; L150-I210 HydrophobicContact CD2-CD1 4.12Å; L150-L242 HydrophobicContact CD2-CD1 4.19Å; L150-L242 HydrophobicContact CD2-CD2 3.95Å
151	K	98.6	Very high	98.5	Very high	61 Å²	61	36.1 Å²	36.1	27%	0.265	17%	0.172	S	C	.	.	H	α-helix	trans	-57.4	-45.8	175.4	-78.5	-177.4	165.7	-176.8	0	111.8	A147 N148 H153 G154 I181 E274	A147-K151 PolarHBondContact O-N 3.41Å; N148-K151 PolarHBondContact O-N 3.1Å; K151-H153 VanDerWaalsContact C-N 3.27Å; K151-H153 PolarHBondContact O-N 2.98Å; K151-G154 PolarHBondContact O-N 2.81Å; K151-I181 HydrophobicContact CD-CG2 4.03Å; K151-I181 VanDerWaalsContact CE-CG2 3.46Å; K151-I181 HydrophobicContact CG-CB 4.46Å; K151-I181 HydrophobicContact CG-CD1 4.28Å; K151-I181 HydrophobicContact CG-CG2 4.14Å; K151-E274 IonicContact NZ-OE1 2.73Å; K151-E274 PolarHBondContact NZ-OE1 3.25Å
152	R	98.3	Very high	98.5	Very high	112 Å²	112	33 Å²	33	42%	0.423	16%	0.157	S	C	.	.	H	α-helix	trans	-62.3	-34.6	178.7	179.9	164.5	57.2	94.3	-3.5	112.9	N148 T149 L150 G154 E263 E267	N148-R152 PolarHBondContact O-N 3.31Å; T149-R152 PolarHBondContact O-N 2.88Å; L150-R152 PolarHBondContact O-N 3.14Å; R152-G154 PolarHBondContact O-N 3.27Å; R152-E263 IonicContact CZ-OE2 3.41Å; R152-E263 IonicContact NH1-OE2 3.84Å; R152-E263 PolarHBondContact NH1-OE2 2.68Å; R152-E263 IonicContact NH2-OE2 3.46Å; R152-E263 PolarHBondContact NH2-OE2 3.36Å; R152-E267 IonicContact CZ-OE1 3.15Å; R152-E267 IonicContact NE-OE1 2.69Å; R152-E267 PolarHBondContact NE-OE1 3.38Å; R152-E267 IonicContact NH2-OE1 2.76Å; R152-E267 PolarHBondContact NH2-OE1 2.78Å; R152-E267 VanDerWaalsContact NH2-OE1 3.14Å
153	H	98.1	Very high	98.5	Very high	36 Å²	36	30.7 Å²	30.7	17%	0.167	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	26.8	175.4	-65.1	-70.2	0	0	0	112.5	T149 L150 K151 V155 H240 I258	T149-H153 PolarHBondContact O-CD2 2.85Å; T149-H153 PolarHBondContact O-N 2.95Å; T149-H153 VanDerWaalsContact O-N 3.1Å; L150-H153 CarbonylContact O-C 3.56Å; L150-H153 PolarHBondContact O-N 3.37Å; K151-H153 VanDerWaalsContact C-N 3.27Å; K151-H153 PolarHBondContact O-N 2.98Å; H153-V155 PolarHBondContact O-N 3.13Å; H153-H240 PolarHBondContact O-CD2 2.9Å; H153-I258 HydrophobicContact CB-CD1 4Å; H153-I258 VanDerWaalsContact CG-CD1 3.43Å; H153-I258 WeakPolarHBondContact ND1-CD1 3.12Å
154	G	98	Very high	98.5	Very high	20 Å²	20	30.7 Å²	30.7	21%	0.206	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	12.9	165.3	0	0	0	0	0	115.8	L150 K151 R152 H156 K207	L150-G154 PolarHBondContact O-N 2.92Å; K151-G154 PolarHBondContact O-N 2.81Å; R152-G154 PolarHBondContact O-N 3.27Å; G154-H156 PolarHBondContact O-CE1 3.34Å; G154-H156 PolarHBondContact O-ND1 2.78Å; G154-K207 WeakPolarHBondContact O-CE 3.21Å; G154-K207 PolarHBondContact O-NZ 2.77Å
155	V	98.7	Very high	98.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	14%	0.143	C	C	.	.			trans	-81.9	119.4	172.1	179.9	0	0	0	0	109.3	L150 H153 D159 V161 I181 A183 A208	L150-V155 HydrophobicContact CB-CB 4.02Å; L150-V155 HydrophobicContact CB-CG1 4.46Å; L150-V155 HydrophobicContact CB-CG2 4.35Å; L150-V155 HydrophobicContact CD2-CG2 4.11Å; L150-V155 WeakPolarHBondContact O-CB 3.36Å; L150-V155 PolarHBondContact O-N 3.48Å; H153-V155 PolarHBondContact O-N 3.13Å; V155-D159 HydrophobicContact CG1-CB 4.09Å; V155-V161 HydrophobicContact CG1-CG2 3.71Å; V155-V161 HydrophobicContact CG2-CG2 4.38Å; V155-I181 HydrophobicContact CG1-CD1 4.04Å; V155-A183 HydrophobicContact CG1-CB 3.8Å; V155-A208 HydrophobicContact CG2-CB 4.08Å
156	H	97.3	Very high	98.2	Very high	107 Å²	107	28.7 Å²	28.7	50%	0.495	14%	0.138	S	C	.	.			trans	-119.6	176.8	-179.9	-52.6	101.2	0	0	0	111.6	G154 G158 D159	G154-H156 PolarHBondContact O-CE1 3.34Å; G154-H156 PolarHBondContact O-ND1 2.78Å; H156-G158 PolarHBondContact O-N 2.76Å; H156-D159 PolarHBondContact N-OD2 3.11Å; H156-D159 IonicContact ND1-OD2 2.99Å; H156-D159 WeakPolarHBondContact O-CB 3.39Å; H156-D159 PolarHBondContact O-N 2.93Å
157	R	98.2	Very high	98	Very high	119 Å²	119	28.9 Å²	28.9	45%	0.449	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.3	173.1	179.2	176.8	175	174.5	0.7	111	D159 G182 S275 M276 D280	R157-D159 VanDerWaalsContact C-N 3.3Å; R157-D159 PolarHBondContact O-N 3.01Å; R157-G182 CarbonylContact C-O 3.55Å; R157-G182 WeakPolarHBondContact CA-O 3.46Å; R157-S275 PolarHBondContact NH1-O 2.86Å; R157-M276 HydrophobicContact CG-CE 4.06Å; R157-M276 HydrophobicContact CG-SD 4.16Å; R157-D280 IonicContact CZ-OD2 2.76Å; R157-D280 IonicContact NE-OD2 3.43Å; R157-D280 IonicContact NH2-OD2 3.53Å; R157-D280 PolarHBondContact NH2-OD2 2.88Å
158	G	97.8	Very high	97.9	Very high	30 Å²	30	28.9 Å²	28.9	31%	0.309	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-10.1	-179.1	0	0	0	0	0	115.5	H156 R160 G182	H156-G158 PolarHBondContact O-N 2.76Å; G158-R160 WeakPolarHBondContact O-CD 3.28Å; G158-R160 PolarHBondContact O-NH1 3.39Å; G158-G182 PolarHBondContact N-O 3.45Å
159	D	98.6	Very high	97.9	Very high	29 Å²	29	28.3 Å²	28.3	16%	0.155	14%	0.137	C	C	.	.			trans	-68.3	148.4	170.3	-75.6	-33.9	0	0	0	110.5	V155 H156 R157 I184 K207	V155-D159 HydrophobicContact CG1-CB 4.09Å; H156-D159 PolarHBondContact N-OD2 3.11Å; H156-D159 IonicContact ND1-OD2 2.99Å; H156-D159 WeakPolarHBondContact O-CB 3.39Å; H156-D159 PolarHBondContact O-N 2.93Å; R157-D159 VanDerWaalsContact C-N 3.3Å; R157-D159 PolarHBondContact O-N 3.01Å; D159-I184 PolarHBondContact O-N 3.23Å; D159-K207 HydrophobicContact CB-CD 4.18Å; D159-K207 IonicContact OD1-NZ 2.81Å; D159-K207 WeakPolarHBondContact OD2-CD 3.24Å; D159-K207 IonicContact OD2-NZ 3.96Å; D159-K207 PolarHBondContact OD2-NZ 2.96Å
160	R	98.4	Very high	97.9	Very high	43 Å²	43	29.4 Å²	29.4	16%	0.162	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.5	178.6	-76	72.6	59.7	-142.7	-10.9	111.5	G158 I184 A204 K205 C206 K207 M284 Y504	G158-R160 WeakPolarHBondContact O-CD 3.28Å; G158-R160 PolarHBondContact O-NH1 3.39Å; R160-I184 CarbonylContact C-O 3.46Å; R160-I184 VanDerWaalsContact CA-O 3.23Å; R160-I184 WeakPolarHBondContact CA-O 3.21Å; R160-I184 HydrophobicContact CG-CB 4.06Å; R160-I184 HydrophobicContact CG-CD1 4.5Å; R160-I184 HydrophobicContact CG-CG2 4.24Å; R160-A204 HydrophobicContact CG-CB 4.49Å; R160-A204 WeakPolarHBondContact CG-O 3.42Å; R160-A204 PolarHBondContact NE-O 2.97Å; R160-K205 PolarHBondContact NH2-O 3.36Å; R160-C206 HydrophobicContact CB-CB 4.44Å; R160-C206 CarbonylContact O-C 3.6Å; R160-C206 WeakPolarHBondContact O-CA 3.23Å; R160-K207 PolarHBondContact O-N 3.22Å; R160-M284 HydrophobicContact CB-CE 4.43Å; R160-M284 HydrophobicContact CG-CE 3.46Å; R160-M284 VanDerWaalsContact CG-CE 3.46Å; R160-Y504 PolarHBondContact NE-OH 2.59Å
161	V	98.9	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.3	179.7	-177.9	0	0	0	0	109.5	V155 A183 I184 H185 T186 A208 I210	V155-V161 HydrophobicContact CG1-CG2 3.71Å; V155-V161 HydrophobicContact CG2-CG2 4.38Å; V161-A183 HydrophobicContact CG2-CB 4.45Å; V161-I184 PolarHBondContact N-O 3.41Å; V161-H185 CarbonylContact O-C 3.56Å; V161-H185 WeakPolarHBondContact O-CA 3.31Å; V161-T186 PolarHBondContact O-N 3.33Å; V161-A208 WeakPolarHBondContact CA-O 3.45Å; V161-A208 HydrophobicContact CG1-CB 4.42Å; V161-I210 HydrophobicContact CG1-CD1 3.75Å; V161-I210 HydrophobicContact CG1-CG1 3.86Å
162	A	98.7	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.8	171.6	0	0	0	0	0	109.9	T186 I201 C206 A208 V209 I210	A162-T186 WeakPolarHBondContact CA-O 3.39Å; A162-T186 HydrophobicContact CB-CG2 4.3Å; A162-I201 HydrophobicContact CB-CG1 3.95Å; A162-C206 HydrophobicContact CB-CB 4.22Å; A162-A208 PolarHBondContact N-O 3.24Å; A162-V209 HydrophobicContact CB-CG1 4.37Å; A162-V209 HydrophobicContact CB-CG2 4.23Å; A162-V209 CarbonylContact O-C 3.57Å; A162-V209 VanDerWaalsContact O-CA 3.32Å; A162-V209 WeakPolarHBondContact O-CA 3.41Å; A162-I210 PolarHBondContact O-N 2.87Å
163	I	98.8	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.1	174.3	-61.3	172.9	0	0	0	107.4	M165 A174 M175 H185 T186 V187 V188 I210	I163-M165 HydrophobicContact CG2-CB 4.43Å; I163-M165 HydrophobicContact CG2-CE 3.6Å; I163-A174 HydrophobicContact CD1-CB 3.71Å; I163-A174 HydrophobicContact CG1-CB 4.22Å; I163-M175 HydrophobicContact CD1-CG 3.86Å; I163-H185 HydrophobicContact CD1-CB 3.79Å; I163-H185 HydrophobicContact CG1-CB 4.47Å; I163-T186 PolarHBondContact N-O 3.3Å; I163-V187 HydrophobicContact CB-CB 4.48Å; I163-V187 HydrophobicContact CB-CG1 4.38Å; I163-V187 HydrophobicContact CB-CG2 4.21Å; I163-V187 HydrophobicContact CD1-CG2 4.29Å; I163-V187 HydrophobicContact CG2-CG1 4.3Å; I163-V187 WeakPolarHBondContact O-CA 3.32Å; I163-V188 PolarHBondContact O-N 3.22Å; I163-I210 HydrophobicContact CG1-CD1 4.44Å
164	Y	98.4	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	72.1	179.4	-165.7	-110.1	0	0	0	110	V188 F189 A190 F192 L197 I210 T211 L224 I227 V228	Y164-V188 HydrophobicContact CD2-CB 3.94Å; Y164-V188 HydrophobicContact CD2-CG1 3.9Å; Y164-V188 WeakPolarHBondContact CD2-O 3.48Å; Y164-V188 HydrophobicContact CE2-CG1 4.06Å; Y164-F189 VanDerWaalsContact CE2-O 3.28Å; Y164-F189 WeakPolarHBondContact CE2-O 3.49Å; Y164-A190 PolarHBondContact OH-O 2.84Å; Y164-F192 HydrophobicContact CE2-CB 4.46Å; Y164-F192 PolarHBondContact OH-O 3.05Å; Y164-L197 HydrophobicContact CD1-CD2 3.98Å; Y164-L197 HydrophobicContact CD2-CD1 3.78Å; Y164-L197 HydrophobicContact CD2-CD2 3.99Å; Y164-L197 HydrophobicContact CD2-CG 4.41Å; Y164-L197 HydrophobicContact CE1-CD2 4.23Å; Y164-L197 HydrophobicContact CE2-CD1 4.35Å; Y164-L197 HydrophobicContact CE2-CD2 4.23Å; Y164-L197 HydrophobicContact CG-CD1 4.17Å; Y164-L197 HydrophobicContact CG-CD2 3.85Å; Y164-I210 PolarHBondContact N-O 2.84Å; Y164-T211 PolarHBondContact O-OG1 3.36Å; Y164-L224 HydrophobicContact CD1-CD2 4.22Å; Y164-L224 HydrophobicContact CE1-CD2 3.7Å; Y164-I227 HydrophobicContact CE1-CB 4.17Å; Y164-I227 HydrophobicContact CE1-CG2 3.85Å; Y164-V228 HydrophobicContact CD1-CG2 3.61Å; Y164-V228 HydrophobicContact CE1-CG2 4.39Å; Y164-V228 HydrophobicContact CG-CG2 4.27Å
165	M	97.9	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.			trans	-138.5	145.3	-177.8	-68.1	-172.9	-75.3	0	0	110.5	I163 L170 A171 A174 I210 F212	I163-M165 HydrophobicContact CG2-CB 4.43Å; I163-M165 HydrophobicContact CG2-CE 3.6Å; M165-L170 HydrophobicContact SD-CD2 4.4Å; M165-A171 HydrophobicContact CB-CB 3.95Å; M165-A171 HydrophobicContact CE-CB 3.82Å; M165-A171 HydrophobicContact SD-CB 4.48Å; M165-A174 HydrophobicContact CE-CB 3.94Å; M165-I210 HydrophobicContact CE-CB 4.16Å; M165-I210 HydrophobicContact CE-CG2 3.49Å; M165-I210 VanDerWaalsContact CE-CG2 3.49Å; M165-I210 HydrophobicContact SD-CG2 4.06Å; M165-F212 HydrophobicContact CB-CD2 4.01Å; M165-F212 HydrophobicContact CB-CE2 4.17Å; M165-F212 HydrophobicContact CG-CD2 3.8Å; M165-F212 HydrophobicContact CG-CE2 4.16Å; M165-F212 HydrophobicContact CG-CG 4.41Å; M165-F212 HydrophobicContact SD-CD2 3.84Å; M165-F212 HydrophobicContact SD-CE2 3.75Å; M165-F212 HydrophobicContact SD-CG 4.29Å; M165-F212 HydrophobicContact SD-CZ 4.11Å
166	P	92.8	Very high	98	Very high	16 Å²	16	18.4 Å²	18.4	10%	0.104	9%	0.092	C	C	.	.			trans	-62.7	162.1	165.2	28.6	-37.1	0	0	0	110.9	S168 F212 L224	P166-S168 PolarHBondContact O-N 2.77Å; P166-S168 VanDerWaalsContact O-N 3.09Å; P166-S168 PolarHBondContact O-OG 2.84Å; P166-S168 VanDerWaalsContact O-OG 3.12Å; P166-F212 HydrophobicContact CG-CD2 4.32Å; P166-L224 VanDerWaalsContact CD-CD1 3.44Å; P166-L224 HydrophobicContact CG-CD1 4.26Å
167	V	94.6	Very high	98.1	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.024	7%	0.068	C	C	.	.	S	Bend	trans	-52	116.9	174.8	64.5	0	0	0	0	111.6	W123 I330 V339 L352 F353	W123-V167 PolarHBondContact NE1-O 3.08Å; V167-I330 HydrophobicContact CB-CG1 4.2Å; V167-I330 HydrophobicContact CB-CG2 4.29Å; V167-I330 HydrophobicContact CG2-CG2 3.79Å; V167-V339 HydrophobicContact CG2-CG1 4.48Å; V167-L352 HydrophobicContact CG2-CB 3.89Å; V167-L352 HydrophobicContact CG2-CD2 3.94Å; V167-L352 HydrophobicContact CG2-CG 4.4Å; V167-F353 WeakPolarHBondContact CG1-O 3.43Å
168	S	98	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.			trans	-163.5	160	-173.8	62.4	0	0	0	0	110.6	P166 L170 A171 V172 F212 L352	P166-S168 PolarHBondContact O-N 2.77Å; P166-S168 VanDerWaalsContact O-N 3.09Å; P166-S168 PolarHBondContact O-OG 2.84Å; P166-S168 VanDerWaalsContact O-OG 3.12Å; S168-L170 VanDerWaalsContact C-N 3.27Å; S168-L170 PolarHBondContact O-N 3.33Å; S168-A171 PolarHBondContact O-N 3.15Å; S168-A171 VanDerWaalsContact O-N 3.14Å; S168-A171 WeakPolarHBondContact OG-CB 3.36Å; S168-A171 PolarHBondContact OG-N 3.37Å; S168-V172 PolarHBondContact O-N 2.94Å; S168-V172 VanDerWaalsContact O-N 3.07Å; S168-F212 WeakPolarHBondContact OG-CE2 3.49Å; S168-L352 VanDerWaalsContact C-CD1 3.49Å
169	P	98.6	Very high	98.2	Very high	15 Å²	15	6.3 Å²	6.3	10%	0.097	3%	0.032	C	C	.	.	H	α-helix	trans	-56.9	-38.7	176.3	-30.4	37.4	0	0	0	114.3	L121 W123 I134 A171 V172 A173 L352	L121-P169 HydrophobicContact CD1-CB 4.29Å; W123-P169 HydrophobicContact CB-CG 3.76Å; W123-P169 HydrophobicContact CD2-CG 3.85Å; W123-P169 HydrophobicContact CE3-CG 3.77Å; W123-P169 VanDerWaalsContact CG-CD 3.47Å; W123-P169 HydrophobicContact CG-CG 3.89Å; I134-P169 HydrophobicContact CD1-CB 3.22Å; I134-P169 HydrophobicContact CD1-CG 3.27Å; P169-A171 VanDerWaalsContact C-N 3.33Å; P169-V172 PolarHBondContact O-N 2.87Å; P169-A173 WeakPolarHBondContact O-CB 3.32Å; P169-A173 PolarHBondContact O-N 3.28Å; P169-L352 HydrophobicContact CG-CD1 4.14Å
170	L	98.6	Very high	98.2	Very high	24 Å²	24	5.2 Å²	5.2	13%	0.126	3%	0.026	C	C	.	.	H	α-helix	trans	-69	-34.6	179.5	-172.5	62.7	0	0	0	111.5	T142 L146 M165 S168 A173 A174 F212 A244 L260 M264	T142-L170 HydrophobicContact CG2-CD1 4.48Å; L146-L170 HydrophobicContact CD2-CD1 4.15Å; M165-L170 HydrophobicContact SD-CD2 4.4Å; S168-L170 VanDerWaalsContact C-N 3.27Å; S168-L170 PolarHBondContact O-N 3.33Å; L170-A173 PolarHBondContact O-N 2.99Å; L170-A174 WeakPolarHBondContact O-CB 3.25Å; L170-A174 PolarHBondContact O-N 2.88Å; L170-F212 HydrophobicContact CB-CE1 4.43Å; L170-F212 HydrophobicContact CB-CZ 3.88Å; L170-F212 HydrophobicContact CD2-CE1 3.66Å; L170-F212 HydrophobicContact CD2-CZ 3.92Å; L170-F212 HydrophobicContact CG-CZ 4.49Å; L170-A244 HydrophobicContact CD2-CB 3.34Å; L170-L260 HydrophobicContact CD2-CD2 4.05Å; L170-M264 HydrophobicContact CD1-CE 4.14Å; L170-M264 HydrophobicContact CD1-SD 4.04Å
171	A	98.6	Very high	98.2	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-68.8	-38.9	174.9	0	0	0	0	0	112.4	M165 S168 P169 A174 M175 I330	M165-A171 HydrophobicContact CB-CB 3.95Å; M165-A171 HydrophobicContact CE-CB 3.82Å; M165-A171 HydrophobicContact SD-CB 4.48Å; S168-A171 PolarHBondContact O-N 3.15Å; S168-A171 VanDerWaalsContact O-N 3.14Å; S168-A171 WeakPolarHBondContact OG-CB 3.36Å; S168-A171 PolarHBondContact OG-N 3.37Å; P169-A171 VanDerWaalsContact C-N 3.33Å; A171-A174 WeakPolarHBondContact O-CB 3.1Å; A171-A174 PolarHBondContact O-N 3.38Å; A171-M175 WeakPolarHBondContact O-CG 3.25Å; A171-M175 PolarHBondContact O-N 3.41Å; A171-I330 HydrophobicContact CB-CD1 3.27Å
172	V	98.9	Very high	98.2	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.7	-47.2	170.5	176.6	0	0	0	0	110.9	L121 L139 S168 P169 A174 M175 L176 V340 L344 L352	L121-V172 HydrophobicContact CD1-CB 4.24Å; L121-V172 HydrophobicContact CD1-CG1 4.18Å; L121-V172 HydrophobicContact CD2-CG1 4.35Å; L139-V172 HydrophobicContact CD1-CG1 4.37Å; L139-V172 HydrophobicContact CD2-CG1 4.45Å; S168-V172 PolarHBondContact O-N 2.94Å; S168-V172 VanDerWaalsContact O-N 3.07Å; P169-V172 PolarHBondContact O-N 2.87Å; V172-A174 PolarHBondContact O-N 3.02Å; V172-M175 PolarHBondContact O-N 3.02Å; V172-L176 HydrophobicContact CG1-CD1 3.88Å; V172-L176 HydrophobicContact CG1-CG 4.48Å; V172-L176 WeakPolarHBondContact O-CG 3.44Å; V172-L176 PolarHBondContact O-N 3.42Å; V172-V340 HydrophobicContact CG1-CG1 4.06Å; V172-V340 HydrophobicContact CG1-CG2 4.39Å; V172-V340 HydrophobicContact CG2-CG2 3.89Å; V172-L344 HydrophobicContact CG1-CD1 4.05Å; V172-L352 HydrophobicContact CG2-CD1 3.87Å; V172-L352 HydrophobicContact CG2-CD2 3.96Å
173	A	98.9	Very high	98.2	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-60.8	-34	175.9	0	0	0	0	0	112.1	L139 T142 L146 P169 L170 L176 A177	L139-A173 HydrophobicContact CD1-CB 4.25Å; T142-A173 HydrophobicContact CG2-CB 3.79Å; L146-A173 HydrophobicContact CD2-CB 4.4Å; P169-A173 WeakPolarHBondContact O-CB 3.32Å; P169-A173 PolarHBondContact O-N 3.28Å; L170-A173 PolarHBondContact O-N 2.99Å; A173-L176 PolarHBondContact O-N 2.93Å; A173-A177 WeakPolarHBondContact O-CA 3.46Å; A173-A177 WeakPolarHBondContact O-CB 3.35Å; A173-A177 PolarHBondContact O-N 2.86Å
174	A	98.9	Very high	98.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.9	-44.2	176.4	0	0	0	0	0	112.5	L146 I163 M165 L170 A171 V172 A177 C178 I210	L146-A174 VanDerWaalsContact CD2-CA 3.4Å; L146-A174 HydrophobicContact CD2-CB 3.75Å; I163-A174 HydrophobicContact CD1-CB 3.71Å; I163-A174 HydrophobicContact CG1-CB 4.22Å; M165-A174 HydrophobicContact CE-CB 3.94Å; L170-A174 WeakPolarHBondContact O-CB 3.25Å; L170-A174 PolarHBondContact O-N 2.88Å; A171-A174 WeakPolarHBondContact O-CB 3.1Å; A171-A174 PolarHBondContact O-N 3.38Å; V172-A174 PolarHBondContact O-N 3.02Å; A174-A177 PolarHBondContact O-N 3.37Å; A174-C178 PolarHBondContact O-N 2.82Å; A174-C178 PolarHBondContact O-SG 2.77Å; A174-I210 HydrophobicContact CB-CD1 3.87Å
175	M	98.9	Very high	98.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.8	-47.5	174.1	-65.5	167.6	69.3	0	0	110.9	I163 A171 V172 C178 A179 V187 I330 H336 V340 Y341	I163-M175 HydrophobicContact CD1-CG 3.86Å; A171-M175 WeakPolarHBondContact O-CG 3.25Å; A171-M175 PolarHBondContact O-N 3.41Å; V172-M175 PolarHBondContact O-N 3.02Å; M175-C178 PolarHBondContact O-N 3.26Å; M175-A179 PolarHBondContact O-N 2.93Å; M175-A179 VanDerWaalsContact O-N 3.08Å; M175-V187 HydrophobicContact CE-CG2 4.35Å; M175-V187 HydrophobicContact CG-CG2 3.83Å; M175-V187 HydrophobicContact SD-CG2 4.01Å; M175-I330 HydrophobicContact SD-CD1 4.47Å; M175-H336 HydrophobicContact CE-CB 4.49Å; M175-V340 HydrophobicContact CE-CB 4.2Å; M175-V340 HydrophobicContact CE-CG1 4.22Å; M175-V340 HydrophobicContact CE-CG2 4.1Å; M175-V340 HydrophobicContact SD-CG2 4.03Å; M175-Y341 HydrophobicContact CE-CD2 4.38Å; M175-Y341 HydrophobicContact CE-CE2 3.71Å
176	L	98.9	Very high	98.3	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-70.4	-33	-179.7	-63.8	173.1	0	0	0	112.3	C107 L108 L139 T143 V172 A173 A179 R180 Y341 L344	C107-L176 HydrophobicContact CB-CD2 3.96Å; L108-L176 HydrophobicContact CD1-CB 4.41Å; L108-L176 HydrophobicContact CD1-CD1 3.88Å; L108-L176 HydrophobicContact CD2-CD1 4.01Å; L108-L176 HydrophobicContact CG-CD1 4.09Å; L139-L176 HydrophobicContact CD2-CD1 4.21Å; L139-L176 HydrophobicContact CG-CD1 4.41Å; T143-L176 HydrophobicContact CG2-CB 3.76Å; V172-L176 HydrophobicContact CG1-CD1 3.88Å; V172-L176 HydrophobicContact CG1-CG 4.48Å; V172-L176 WeakPolarHBondContact O-CG 3.44Å; V172-L176 PolarHBondContact O-N 3.42Å; A173-L176 PolarHBondContact O-N 2.93Å; L176-A179 PolarHBondContact O-N 3.49Å; L176-R180 VanDerWaalsContact O-CB 3.3Å; L176-R180 WeakPolarHBondContact O-CB 3.42Å; L176-R180 PolarHBondContact O-N 3.01Å; L176-Y341 HydrophobicContact CD2-CE1 4.16Å; L176-L344 HydrophobicContact CD1-CD1 3.91Å
177	A	98.9	Very high	98.5	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.9	-42.4	176.6	0	0	0	0	0	111	T143 L146 A147 L150 A173 A174 R180 I181	T143-A177 HydrophobicContact CG2-CB 4.23Å; L146-A177 HydrophobicContact CB-CB 4.01Å; L146-A177 HydrophobicContact CD2-CB 4.23Å; L146-A177 HydrophobicContact CG-CB 3.87Å; A147-A177 HydrophobicContact CB-CB 4Å; L150-A177 HydrophobicContact CD1-CB 4.21Å; A173-A177 WeakPolarHBondContact O-CA 3.46Å; A173-A177 WeakPolarHBondContact O-CB 3.35Å; A173-A177 PolarHBondContact O-N 2.86Å; A174-A177 PolarHBondContact O-N 3.37Å; A177-R180 WeakPolarHBondContact O-CB 3.45Å; A177-R180 PolarHBondContact O-N 3.12Å; A177-I181 WeakPolarHBondContact O-CG1 2.99Å; A177-I181 PolarHBondContact O-N 2.67Å
178	C	98.9	Very high	98.4	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60.5	-49.8	172.9	-65.3	0	0	0	0	110.7	A174 M175 R180 I181 G182 A183 H185	A174-C178 PolarHBondContact O-N 2.82Å; A174-C178 PolarHBondContact O-SG 2.77Å; M175-C178 PolarHBondContact O-N 3.26Å; C178-R180 VanDerWaalsContact C-N 3.27Å; C178-R180 PolarHBondContact O-N 2.91Å; C178-I181 PolarHBondContact O-N 3.47Å; C178-G182 PolarHBondContact O-N 3.37Å; C178-G182 VanDerWaalsContact O-N 3.09Å; C178-A183 CarbonylContact C-O 3.59Å; C178-A183 HydrophobicContact CB-CB 4.13Å; C178-A183 PolarHBondContact O-N 3.02Å; C178-A183 VanDerWaalsContact O-O 3.14Å; C178-H185 HydrophobicContact CB-CB 3.82Å
179	A	98.8	Very high	97.9	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.008	2%	0.023	C	C	.	.	H	α-helix	trans	-57.9	-38.2	176.3	0	0	0	0	0	112.6	N102 V103 M175 L176 I181 G182 L282	N102-A179 PolarHBondContact ND2-O 3.35Å; N102-A179 VanDerWaalsContact ND2-O 3.13Å; V103-A179 HydrophobicContact CB-CB 4.36Å; M175-A179 PolarHBondContact O-N 2.93Å; M175-A179 VanDerWaalsContact O-N 3.08Å; L176-A179 PolarHBondContact O-N 3.49Å; A179-I181 PolarHBondContact O-N 3Å; A179-G182 PolarHBondContact O-N 3.18Å; A179-L282 HydrophobicContact CB-CD1 3.57Å
180	R	98.8	Very high	97.4	Very high	7 Å²	7	4.3 Å²	4.3	3%	0.026	2%	0.023	C	C	.	.	H	α-helix	trans	-63.9	-39.5	179.1	-168.3	174	-169.1	90.7	-0.6	112.5	N102 D109 L176 A177 C178 C271 P273 E274	N102-R180 PolarHBondContact ND2-O 3.46Å; N102-R180 VanDerWaalsContact ND2-O 3.13Å; D109-R180 IonicContact OD1-CZ 3.14Å; D109-R180 IonicContact OD1-NH1 2.97Å; D109-R180 PolarHBondContact OD1-NH1 2.86Å; D109-R180 IonicContact OD1-NH2 3.79Å; D109-R180 PolarHBondContact OD1-NH2 3.37Å; D109-R180 VanDerWaalsContact OD1-NH2 3.13Å; D109-R180 IonicContact OD2-CZ 3.79Å; D109-R180 IonicContact OD2-NH1 3.31Å; D109-R180 PolarHBondContact OD2-NH1 2.86Å; D109-R180 IonicContact OD2-NH2 2.91Å; L176-R180 VanDerWaalsContact O-CB 3.3Å; L176-R180 WeakPolarHBondContact O-CB 3.42Å; L176-R180 PolarHBondContact O-N 3.01Å; A177-R180 WeakPolarHBondContact O-CB 3.45Å; A177-R180 PolarHBondContact O-N 3.12Å; C178-R180 VanDerWaalsContact C-N 3.27Å; C178-R180 PolarHBondContact O-N 2.91Å; R180-C271 PolarHBondContact NE-O 3.25Å; R180-C271 PolarHBondContact NH2-O 3.38Å; R180-P273 HydrophobicContact CG-CB 4.07Å; R180-P273 WeakPolarHBondContact O-CA 3.48Å; R180-E274 PolarHBondContact O-N 2.99Å
181	I	98.8	Very high	96.5	Very high	1 Å²	1	5 Å²	5	1%	0.005	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.6	-176.7	71.9	-179.9	0	0	0	113.5	A147 L150 K151 V155 A177 C178 A179 A183 E274	A147-I181 HydrophobicContact CB-CG2 3.62Å; L150-I181 HydrophobicContact CB-CD1 3.83Å; L150-I181 HydrophobicContact CD1-CD1 4.26Å; K151-I181 HydrophobicContact CD-CG2 4.03Å; K151-I181 VanDerWaalsContact CE-CG2 3.46Å; K151-I181 HydrophobicContact CG-CB 4.46Å; K151-I181 HydrophobicContact CG-CD1 4.28Å; K151-I181 HydrophobicContact CG-CG2 4.14Å; V155-I181 HydrophobicContact CG1-CD1 4.04Å; A177-I181 WeakPolarHBondContact O-CG1 2.99Å; A177-I181 PolarHBondContact O-N 2.67Å; C178-I181 PolarHBondContact O-N 3.47Å; A179-I181 PolarHBondContact O-N 3Å; I181-A183 HydrophobicContact CD1-CB 4.17Å; I181-A183 HydrophobicContact CG1-CB 3.84Å; I181-A183 PolarHBondContact O-N 2.8Å; I181-E274 WeakPolarHBondContact O-CG 3.06Å
182	G	98.7	Very high	95.8	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.01	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	15.9	-177.5	0	0	0	0	0	114.5	R157 G158 C178 A179 M276	R157-G182 CarbonylContact C-O 3.55Å; R157-G182 WeakPolarHBondContact CA-O 3.46Å; G158-G182 PolarHBondContact N-O 3.45Å; C178-G182 PolarHBondContact O-N 3.37Å; C178-G182 VanDerWaalsContact O-N 3.09Å; A179-G182 PolarHBondContact O-N 3.18Å; G182-M276 WeakPolarHBondContact CA-SD 3.44Å
183	A	98.8	Very high	95.2	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.008	5%	0.045	C	C	.	.			trans	-79.4	151.3	170.7	0	0	0	0	0	110	V155 V161 C178 I181	V155-A183 HydrophobicContact CG1-CB 3.8Å; V161-A183 HydrophobicContact CG2-CB 4.45Å; C178-A183 CarbonylContact C-O 3.59Å; C178-A183 HydrophobicContact CB-CB 4.13Å; C178-A183 PolarHBondContact O-N 3.02Å; C178-A183 VanDerWaalsContact O-O 3.14Å; I181-A183 HydrophobicContact CD1-CB 4.17Å; I181-A183 HydrophobicContact CG1-CB 3.84Å; I181-A183 PolarHBondContact O-N 2.8Å
184	I	98.8	Very high	94.9	Very high	9 Å²	9	7.3 Å²	7.3	5%	0.046	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.6	-177.6	-58	159.6	0	0	0	107.3	D159 R160 V161 M281 M284	D159-I184 PolarHBondContact O-N 3.23Å; R160-I184 CarbonylContact C-O 3.46Å; R160-I184 VanDerWaalsContact CA-O 3.23Å; R160-I184 WeakPolarHBondContact CA-O 3.21Å; R160-I184 HydrophobicContact CG-CB 4.06Å; R160-I184 HydrophobicContact CG-CD1 4.5Å; R160-I184 HydrophobicContact CG-CG2 4.24Å; V161-I184 PolarHBondContact N-O 3.41Å; I184-M281 HydrophobicContact CD1-CB 3.6Å; I184-M281 HydrophobicContact CD1-CE 3.81Å; I184-M281 HydrophobicContact CD1-CG 4.22Å; I184-M281 HydrophobicContact CD1-SD 3.67Å; I184-M281 HydrophobicContact CG1-CB 3.69Å; I184-M281 HydrophobicContact CG2-CB 4.41Å; I184-M281 HydrophobicContact CG2-CE 4.09Å; I184-M284 HydrophobicContact CG2-CE 4.15Å; I184-M284 HydrophobicContact CG2-CG 4.05Å
185	H	98.8	Very high	94.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	153.7	175.6	72.8	84.4	0	0	0	111.5	V161 I163 C178 F283 M284 H336 Y341	V161-H185 CarbonylContact O-C 3.56Å; V161-H185 WeakPolarHBondContact O-CA 3.31Å; I163-H185 HydrophobicContact CD1-CB 3.79Å; I163-H185 HydrophobicContact CG1-CB 4.47Å; C178-H185 HydrophobicContact CB-CB 3.82Å; H185-F283 WeakPolarHBondContact CE1-CB 3.35Å; H185-F283 AromaticContact CE1-CG 3.98Å; H185-F283 WeakPolarHBondContact NE2-CB 3.42Å; H185-F283 CarbonylContact O-C 3.59Å; H185-F283 WeakPolarHBondContact O-CA 3.48Å; H185-F283 VanDerWaalsContact O-CB 3.31Å; H185-F283 WeakPolarHBondContact O-CB 3.46Å; H185-M284 PolarHBondContact O-N 3.05Å; H185-H336 AromaticContact CE1-CD2 3.83Å; H185-H336 AromaticContact CE1-NE2 3.61Å; H185-Y341 AromaticContact NE2-CZ 3.86Å; H185-Y341 PolarHBondContact NE2-OH 2.72Å
186	T	98.3	Very high	93.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	109.8	165.4	-173.8	0	0	0	0	108.1	V161 A162 I163 A204 M284	V161-T186 PolarHBondContact O-N 3.33Å; A162-T186 WeakPolarHBondContact CA-O 3.39Å; A162-T186 HydrophobicContact CB-CG2 4.3Å; I163-T186 PolarHBondContact N-O 3.3Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; T186-M284 WeakPolarHBondContact CA-O 3.41Å; T186-M284 VanDerWaalsContact CB-O 3.3Å; T186-M284 WeakPolarHBondContact CB-O 3.44Å; T186-M284 PolarHBondContact OG1-O 3.47Å
187	V	97.9	Very high	93.4	Very high	4 Å²	4	13 Å²	13	2%	0.024	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.8	175.9	-167.7	0	0	0	0	108.1	I163 M175 I330	I163-V187 HydrophobicContact CB-CB 4.48Å; I163-V187 HydrophobicContact CB-CG1 4.38Å; I163-V187 HydrophobicContact CB-CG2 4.21Å; I163-V187 HydrophobicContact CD1-CG2 4.29Å; I163-V187 HydrophobicContact CG2-CG1 4.3Å; I163-V187 WeakPolarHBondContact O-CA 3.32Å; M175-V187 HydrophobicContact CE-CG2 4.35Å; M175-V187 HydrophobicContact CG-CG2 3.83Å; M175-V187 HydrophobicContact SD-CG2 4.01Å; V187-I330 HydrophobicContact CG1-CG1 4.32Å
188	V	93	Very high	93.2	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.012	8%	0.081	C	C	.	.			trans	-112.3	125.8	178.8	179.9	0	0	0	0	107.5	I163 Y164 A190 F192 L197 R200	I163-V188 PolarHBondContact O-N 3.22Å; Y164-V188 HydrophobicContact CD2-CB 3.94Å; Y164-V188 HydrophobicContact CD2-CG1 3.9Å; Y164-V188 WeakPolarHBondContact CD2-O 3.48Å; Y164-V188 HydrophobicContact CE2-CG1 4.06Å; V188-A190 PolarHBondContact O-N 2.94Å; V188-F192 HydrophobicContact CG1-CD2 3.61Å; V188-F192 HydrophobicContact CG1-CE2 4.33Å; V188-L197 HydrophobicContact CB-CD1 3.96Å; V188-L197 HydrophobicContact CG1-CD1 3.76Å; V188-L197 HydrophobicContact CG2-CD1 4.09Å; V188-R200 HydrophobicContact CG2-CB 4.29Å
189	F	87	Confident	92.9	Very high	28 Å²	28	15.2 Å²	15.2	12%	0.123	10%	0.102	C	C	.	.			trans	-54.3	122.9	-177.5	175.1	-123.9	0	0	0	111.2	Y164 G191 F192 D329 W332 H551 Y616	Y164-F189 VanDerWaalsContact CE2-O 3.28Å; Y164-F189 WeakPolarHBondContact CE2-O 3.49Å; F189-G191 PolarHBondContact O-N 3.32Å; F189-F192 HydrophobicContact CB-CD2 3.84Å; F189-F192 HydrophobicContact CB-CE2 3.82Å; F189-F192 HydrophobicContact CB-CZ 4.5Å; F189-F192 WeakPolarHBondContact O-CB 3.36Å; F189-F192 WeakPolarHBondContact O-CD2 3.33Å; F189-F192 PolarHBondContact O-N 3.33Å; F189-D329 HydrophobicContact CD2-CB 4.26Å; F189-D329 WeakPolarHBondContact CD2-OD1 3.48Å; F189-D329 HydrophobicContact CE2-CB 4.11Å; F189-W332 HydrophobicContact CB-CZ2 3.86Å; F189-W332 AromaticContact CD1-CZ2 3.8Å; F189-W332 HydrophobicContact CD1-CZ2 3.8Å; F189-W332 AromaticContact CD2-NE1 3.52Å; F189-W332 HydrophobicContact CE1-CZ2 4.48Å; F189-W332 AromaticContact CE2-NE1 3.96Å; F189-W332 AromaticContact CG-CE2 3.97Å; F189-W332 AromaticContact CG-CZ2 3.81Å; F189-W332 HydrophobicContact CG-CZ2 3.81Å; F189-W332 AromaticContact CG-NE1 3.68Å; F189-H551 AromaticContact CE1-CE1 3.88Å; F189-Y616 HydrophobicContact CD1-CE1 4.5Å; F189-Y616 HydrophobicContact CE1-CE1 4.23Å
190	A	87.5	Confident	92.6	Very high	12 Å²	12	15.6 Å²	15.6	10%	0.099	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	6.4	-174.3	0	0	0	0	0	115.1	Y164 V188 L224	Y164-A190 PolarHBondContact OH-O 2.84Å; V188-A190 PolarHBondContact O-N 2.94Å; A190-L224 HydrophobicContact CB-CD2 3.92Å
191	G	80.7	Confident	92.5	Very high	38 Å²	38	15.3 Å²	15.3	39%	0.392	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.8	170.4	0	0	0	0	0	114.7	F189	F189-G191 PolarHBondContact O-N 3.32Å
192	F	83	Confident	92.3	Very high	14 Å²	14	18 Å²	18	6%	0.061	12%	0.116	C	C	.	.	S	Bend	trans	-73.5	159.7	177.4	-78.1	-43.9	0	0	0	113.3	Y164 V188 F189 W332 A614 Y616	Y164-F192 HydrophobicContact CE2-CB 4.46Å; Y164-F192 PolarHBondContact OH-O 3.05Å; V188-F192 HydrophobicContact CG1-CD2 3.61Å; V188-F192 HydrophobicContact CG1-CE2 4.33Å; F189-F192 HydrophobicContact CB-CD2 3.84Å; F189-F192 HydrophobicContact CB-CE2 3.82Å; F189-F192 HydrophobicContact CB-CZ 4.5Å; F189-F192 WeakPolarHBondContact O-CB 3.36Å; F189-F192 WeakPolarHBondContact O-CD2 3.33Å; F189-F192 PolarHBondContact O-N 3.33Å; F192-W332 AromaticContact CZ-CH2 3.9Å; F192-W332 HydrophobicContact CZ-CH2 3.9Å; F192-W332 HydrophobicContact CZ-CZ2 4.37Å; F192-A614 HydrophobicContact CD1-CB 4.5Å; F192-Y616 HydrophobicContact CE1-CE1 4.49Å; F192-Y616 WeakPolarHBondContact CE1-OH 3.29Å
193	S	86.9	Confident	92.1	Very high	17 Å²	17	20.7 Å²	20.7	12%	0.119	13%	0.13	C	C	.	.			trans	-72.8	167.3	171.7	71.6	0	0	0	0	112.1	E195 S196 L197 T611 K612 I613	S193-E195 VanDerWaalsContact C-N 3.29Å; S193-E195 PolarHBondContact O-N 3.03Å; S193-S196 PolarHBondContact O-N 3.35Å; S193-S196 VanDerWaalsContact OG-CB 3.24Å; S193-S196 WeakPolarHBondContact OG-CB 3.33Å; S193-S196 PolarHBondContact OG-N 3.46Å; S193-L197 WeakPolarHBondContact O-CB 3.49Å; S193-L197 PolarHBondContact O-N 2.87Å; S193-T611 WeakPolarHBondContact CB-O 3.48Å; S193-T611 PolarHBondContact OG-O 2.78Å; S193-K612 PolarHBondContact OG-O 3.13Å; S193-I613 PolarHBondContact N-O 2.81Å
194	A	92.5	Very high	91.9	Very high	19 Å²	19	20.6 Å²	20.6	16%	0.157	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-38.2	173.1	0	0	0	0	0	112.2	L197 A198 I227 E230 A231	A194-L197 PolarHBondContact O-N 2.83Å; A194-A198 VanDerWaalsContact O-CB 3.31Å; A194-A198 WeakPolarHBondContact O-CB 3.34Å; A194-A198 PolarHBondContact O-N 2.95Å; A194-I227 HydrophobicContact CB-CG2 4.04Å; A194-I227 WeakPolarHBondContact CB-O 3.35Å; A194-E230 HydrophobicContact CB-CB 3.68Å; A194-E230 HydrophobicContact CB-CG 3.82Å; A194-A231 HydrophobicContact CB-CB 4.2Å; A194-A231 WeakPolarHBondContact O-CB 3.41Å
195	E	88.1	Confident	91.8	Very high	110 Å²	110	26 Å²	26	51%	0.514	15%	0.153	S	C	.	.	H	α-helix	trans	-66.6	-46	178	-174.1	176.8	173.1	0	0	111.6	S193 L197 A198 G199 K612	S193-E195 VanDerWaalsContact C-N 3.29Å; S193-E195 PolarHBondContact O-N 3.03Å; E195-L197 VanDerWaalsContact C-N 3.3Å; E195-L197 PolarHBondContact O-N 2.9Å; E195-A198 PolarHBondContact O-N 2.96Å; E195-G199 PolarHBondContact O-N 3.44Å; E195-K612 WeakPolarHBondContact OE2-CG 3.38Å
196	S	86.2	Confident	91.8	Very high	9 Å²	9	26 Å²	26	6%	0.063	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-35.5	176.8	-175.9	0	0	0	0	112.2	S193 R200	S193-S196 PolarHBondContact O-N 3.35Å; S193-S196 VanDerWaalsContact OG-CB 3.24Å; S193-S196 WeakPolarHBondContact OG-CB 3.33Å; S193-S196 PolarHBondContact OG-N 3.46Å; S196-R200 PolarHBondContact O-NH1 3.32Å; S196-R200 PolarHBondContact OG-NH1 2.9Å
197	L	91.8	Very high	91.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-48.7	171	174.4	59.8	0	0	0	111.6	Y164 V188 S193 A194 E195 G199 R200 I201 I227 V228 A231	Y164-L197 HydrophobicContact CD1-CD2 3.98Å; Y164-L197 HydrophobicContact CD2-CD1 3.78Å; Y164-L197 HydrophobicContact CD2-CD2 3.99Å; Y164-L197 HydrophobicContact CD2-CG 4.41Å; Y164-L197 HydrophobicContact CE1-CD2 4.23Å; Y164-L197 HydrophobicContact CE2-CD1 4.35Å; Y164-L197 HydrophobicContact CE2-CD2 4.23Å; Y164-L197 HydrophobicContact CG-CD1 4.17Å; Y164-L197 HydrophobicContact CG-CD2 3.85Å; V188-L197 HydrophobicContact CB-CD1 3.96Å; V188-L197 HydrophobicContact CG1-CD1 3.76Å; V188-L197 HydrophobicContact CG2-CD1 4.09Å; S193-L197 WeakPolarHBondContact O-CB 3.49Å; S193-L197 PolarHBondContact O-N 2.87Å; A194-L197 PolarHBondContact O-N 2.83Å; E195-L197 VanDerWaalsContact C-N 3.3Å; E195-L197 PolarHBondContact O-N 2.9Å; L197-G199 VanDerWaalsContact C-N 3.35Å; L197-G199 PolarHBondContact O-N 3.4Å; L197-R200 PolarHBondContact O-N 3.1Å; L197-I201 HydrophobicContact CD1-CD1 3.8Å; L197-I201 HydrophobicContact CD1-CG1 4.1Å; L197-I201 HydrophobicContact CD2-CD1 4.42Å; L197-I201 HydrophobicContact CG-CD1 3.75Å; L197-I201 HydrophobicContact CG-CG1 4.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.45Å; L197-I201 PolarHBondContact O-N 2.7Å; L197-I227 HydrophobicContact CD2-CG2 4.41Å; L197-V228 HydrophobicContact CD2-CG2 3.96Å; L197-A231 HydrophobicContact CB-CB 4.17Å; L197-A231 HydrophobicContact CD2-CB 3.79Å; L197-A231 HydrophobicContact CG-CB 3.92Å
198	A	94.7	Very high	91.9	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-42.3	-179.2	0	0	0	0	0	112.4	A194 E195 R200 I201 N202 A231 S234	A194-A198 VanDerWaalsContact O-CB 3.31Å; A194-A198 WeakPolarHBondContact O-CB 3.34Å; A194-A198 PolarHBondContact O-N 2.95Å; E195-A198 PolarHBondContact O-N 2.96Å; A198-R200 VanDerWaalsContact C-N 3.3Å; A198-R200 PolarHBondContact O-N 3.34Å; A198-I201 PolarHBondContact O-N 3.26Å; A198-N202 WeakPolarHBondContact O-CB 3.35Å; A198-N202 PolarHBondContact O-N 2.91Å; A198-N202 PolarHBondContact O-ND2 3.2Å; A198-A231 HydrophobicContact CB-CB 4.1Å; A198-S234 WeakPolarHBondContact CB-OG 3.21Å
199	G	91.1	Very high	92.1	Very high	41 Å²	41	27.4 Å²	27.4	42%	0.423	16%	0.159	S	C	.	.	H	α-helix	trans	-55.9	-43.4	176.1	0	0	0	0	0	112.6	E195 L197 D203	E195-G199 PolarHBondContact O-N 3.44Å; L197-G199 VanDerWaalsContact C-N 3.35Å; L197-G199 PolarHBondContact O-N 3.4Å; G199-D203 WeakPolarHBondContact O-CB 3.39Å; G199-D203 PolarHBondContact O-N 3.12Å
200	R	93.1	Very high	92.7	Very high	10 Å²	10	26 Å²	26	4%	0.038	15%	0.153	C	C	.	.	H	α-helix	trans	-72.2	-37.8	178.3	-69	171.4	175.2	67.4	0.3	112.8	V188 S196 L197 A198 N202 A204 Y286	V188-R200 HydrophobicContact CG2-CB 4.29Å; S196-R200 PolarHBondContact O-NH1 3.32Å; S196-R200 PolarHBondContact OG-NH1 2.9Å; L197-R200 PolarHBondContact O-N 3.1Å; A198-R200 VanDerWaalsContact C-N 3.3Å; A198-R200 PolarHBondContact O-N 3.34Å; R200-N202 VanDerWaalsContact C-N 3.34Å; R200-A204 VanDerWaalsContact O-CB 3.25Å; R200-A204 WeakPolarHBondContact O-CB 3.36Å; R200-A204 PolarHBondContact O-N 3.05Å; R200-Y286 HydrophobicContact CB-CD2 4Å; R200-Y286 HydrophobicContact CB-CE2 3.88Å; R200-Y286 HydrophobicContact CB-CG 4.4Å; R200-Y286 HydrophobicContact CG-CD1 3.99Å; R200-Y286 HydrophobicContact CG-CD2 3.77Å; R200-Y286 HydrophobicContact CG-CE1 4.28Å; R200-Y286 HydrophobicContact CG-CE2 4.09Å; R200-Y286 HydrophobicContact CG-CG 3.7Å; R200-Y286 PolarHBondContact O-OH 3.47Å; R200-Y286 VanDerWaalsContact O-OH 3.07Å
201	I	96.6	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-45.4	174.7	-73.4	170.7	0	0	0	110.4	A162 L197 A198 K205 C206 V209 C235 V238	A162-I201 HydrophobicContact CB-CG1 3.95Å; L197-I201 HydrophobicContact CD1-CD1 3.8Å; L197-I201 HydrophobicContact CD1-CG1 4.1Å; L197-I201 HydrophobicContact CD2-CD1 4.42Å; L197-I201 HydrophobicContact CG-CD1 3.75Å; L197-I201 HydrophobicContact CG-CG1 4.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.45Å; L197-I201 PolarHBondContact O-N 2.7Å; A198-I201 PolarHBondContact O-N 3.26Å; I201-K205 WeakPolarHBondContact O-CA 3.38Å; I201-K205 PolarHBondContact O-N 2.9Å; I201-C206 HydrophobicContact CG2-CB 4.13Å; I201-C206 PolarHBondContact O-N 2.81Å; I201-V209 HydrophobicContact CD1-CG2 3.8Å; I201-C235 HydrophobicContact CG2-CB 3.53Å; I201-C235 WeakPolarHBondContact CG2-SG 3.38Å; I201-V238 HydrophobicContact CG2-CG2 3.53Å
202	N	95.8	Very high	94.1	Very high	57 Å²	57	24.1 Å²	24.1	31%	0.305	13%	0.131	S	C	.	.	H	α-helix	trans	-68.5	-45.3	-178.9	-80.3	-37.8	0	0	0	112.3	A198 R200 K205 S234 C235	A198-N202 WeakPolarHBondContact O-CB 3.35Å; A198-N202 PolarHBondContact O-N 2.91Å; A198-N202 PolarHBondContact O-ND2 3.2Å; R200-N202 VanDerWaalsContact C-N 3.34Å; N202-K205 WeakPolarHBondContact O-CG 3.47Å; N202-K205 PolarHBondContact O-N 3.47Å; N202-K205 VanDerWaalsContact O-N 3.08Å; N202-S234 PolarHBondContact ND2-O 3.23Å; N202-S234 PolarHBondContact OD1-O 3.07Å; N202-C235 WeakPolarHBondContact OD1-CA 3.39Å
203	D	93.3	Very high	94.8	Very high	58 Å²	58	23.5 Å²	23.5	31%	0.31	13%	0.129	S	C	.	.	H	α-helix	trans	-61.9	-44.9	177.7	-172.5	76.2	0	0	0	111.5	G199 K205 Y286 Y504	G199-D203 WeakPolarHBondContact O-CB 3.39Å; G199-D203 PolarHBondContact O-N 3.12Å; D203-K205 PolarHBondContact O-N 2.96Å; D203-Y286 HydrophobicContact CB-CE1 4.07Å; D203-Y286 WeakPolarHBondContact CB-OH 3.35Å; D203-Y286 VanDerWaalsContact OD2-CE1 3.26Å; D203-Y286 WeakPolarHBondContact OD2-CE1 3.35Å; D203-Y286 PolarHBondContact OD2-OH 2.91Å; D203-Y504 WeakPolarHBondContact O-CE1 3.4Å
204	A	95.5	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-73.3	-11.9	175.7	0	0	0	0	0	113.5	R160 T186 R200 C206 M284 Y286	R160-A204 HydrophobicContact CG-CB 4.49Å; R160-A204 WeakPolarHBondContact CG-O 3.42Å; R160-A204 PolarHBondContact NE-O 2.97Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; R200-A204 VanDerWaalsContact O-CB 3.25Å; R200-A204 WeakPolarHBondContact O-CB 3.36Å; R200-A204 PolarHBondContact O-N 3.05Å; A204-C206 VanDerWaalsContact C-N 3.27Å; A204-C206 WeakPolarHBondContact CB-SG 3.36Å; A204-C206 PolarHBondContact O-N 2.88Å; A204-M284 HydrophobicContact CB-CE 3.43Å; A204-M284 VanDerWaalsContact CB-CE 3.43Å; A204-Y286 WeakPolarHBondContact CA-OH 3.36Å; A204-Y286 HydrophobicContact CB-CE2 4.46Å; A204-Y286 VanDerWaalsContact CB-OH 3.3Å; A204-Y286 WeakPolarHBondContact CB-OH 3.39Å; A204-Y286 PolarHBondContact N-OH 3.5Å
205	K	96.3	Very high	95.4	Very high	122 Å²	122	22.4 Å²	22.4	53%	0.53	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	51.7	-169.5	-60.1	176.6	-176.1	176.5	0	110.8	R160 I201 N202 D203 T237	R160-K205 PolarHBondContact NH2-O 3.36Å; I201-K205 WeakPolarHBondContact O-CA 3.38Å; I201-K205 PolarHBondContact O-N 2.9Å; N202-K205 WeakPolarHBondContact O-CG 3.47Å; N202-K205 PolarHBondContact O-N 3.47Å; N202-K205 VanDerWaalsContact O-N 3.08Å; D203-K205 PolarHBondContact O-N 2.96Å; K205-T237 HydrophobicContact CB-CG2 4.14Å; K205-T237 HydrophobicContact CG-CG2 4.48Å
206	C	98.5	Very high	95.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.			trans	-64.7	136.1	-177.7	-68.7	0	0	0	0	110.6	R160 A162 I201 A204 T237 V238	R160-C206 HydrophobicContact CB-CB 4.44Å; R160-C206 CarbonylContact O-C 3.6Å; R160-C206 WeakPolarHBondContact O-CA 3.23Å; A162-C206 HydrophobicContact CB-CB 4.22Å; I201-C206 HydrophobicContact CG2-CB 4.13Å; I201-C206 PolarHBondContact O-N 2.81Å; A204-C206 VanDerWaalsContact C-N 3.27Å; A204-C206 WeakPolarHBondContact CB-SG 3.36Å; A204-C206 PolarHBondContact O-N 2.88Å; C206-T237 CarbonylContact O-C 3.46Å; C206-T237 VanDerWaalsContact O-C 3.31Å; C206-T237 WeakPolarHBondContact O-CB 3.3Å; C206-T237 PolarHBondContact O-OG1 3.29Å; C206-V238 PolarHBondContact O-N 2.92Å
207	K	98.6	Very high	95.8	Very high	34 Å²	34	25.2 Å²	25.2	15%	0.148	13%	0.127	C	C	.	.	S	Bend	trans	-90	-29.9	179.6	-169.6	179.3	-169	173.1	0	112.3	G154 D159 R160 Q239	G154-K207 WeakPolarHBondContact O-CE 3.21Å; G154-K207 PolarHBondContact O-NZ 2.77Å; D159-K207 HydrophobicContact CB-CD 4.18Å; D159-K207 IonicContact OD1-NZ 2.81Å; D159-K207 WeakPolarHBondContact OD2-CD 3.24Å; D159-K207 IonicContact OD2-NZ 3.96Å; D159-K207 PolarHBondContact OD2-NZ 2.96Å; R160-K207 PolarHBondContact O-N 3.22Å; K207-Q239 HydrophobicContact CG-CB 4.43Å; K207-Q239 HydrophobicContact CG-CG 4.09Å; K207-Q239 PolarHBondContact O-N 3.08Å
208	A	98.8	Very high	95.6	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.5	178.5	0	0	0	0	0	111.2	V155 V161 A162 H240 L242	V155-A208 HydrophobicContact CG2-CB 4.08Å; V161-A208 WeakPolarHBondContact CA-O 3.45Å; V161-A208 HydrophobicContact CG1-CB 4.42Å; A162-A208 PolarHBondContact N-O 3.24Å; A208-H240 VanDerWaalsContact CA-O 3.24Å; A208-H240 WeakPolarHBondContact CA-O 3.47Å; A208-L242 HydrophobicContact CB-CD1 3.92Å
209	V	98.9	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.9	170.9	-174.2	0	0	0	0	108.5	A162 I201 V228 V232 V238 H240 V241 L242	A162-V209 HydrophobicContact CB-CG1 4.37Å; A162-V209 HydrophobicContact CB-CG2 4.23Å; A162-V209 CarbonylContact O-C 3.57Å; A162-V209 VanDerWaalsContact O-CA 3.32Å; A162-V209 WeakPolarHBondContact O-CA 3.41Å; I201-V209 HydrophobicContact CD1-CG2 3.8Å; V209-V228 HydrophobicContact CB-CG1 4.46Å; V209-V228 HydrophobicContact CG1-CG1 3.94Å; V209-V228 HydrophobicContact CG1-CG2 4.33Å; V209-V232 HydrophobicContact CG2-CG1 4.16Å; V209-V238 HydrophobicContact CG2-CG1 4.05Å; V209-V238 HydrophobicContact CG2-CG2 3.98Å; V209-H240 PolarHBondContact N-O 2.98Å; V209-V241 HydrophobicContact CB-CG2 4.39Å; V209-V241 CarbonylContact O-C 3.59Å; V209-V241 WeakPolarHBondContact O-CA 3.34Å; V209-L242 PolarHBondContact O-N 2.62Å
210	I	98.9	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.9	172.4	-51.4	174.2	0	0	0	108.2	L150 V161 A162 I163 Y164 M165 A174 L242 L260	L150-I210 HydrophobicContact CD1-CD1 4.45Å; L150-I210 HydrophobicContact CD2-CD1 4.12Å; V161-I210 HydrophobicContact CG1-CD1 3.75Å; V161-I210 HydrophobicContact CG1-CG1 3.86Å; A162-I210 PolarHBondContact O-N 2.87Å; I163-I210 HydrophobicContact CG1-CD1 4.44Å; Y164-I210 PolarHBondContact N-O 2.84Å; M165-I210 HydrophobicContact CE-CB 4.16Å; M165-I210 HydrophobicContact CE-CG2 3.49Å; M165-I210 VanDerWaalsContact CE-CG2 3.49Å; M165-I210 HydrophobicContact SD-CG2 4.06Å; A174-I210 HydrophobicContact CB-CD1 3.87Å; I210-L242 WeakPolarHBondContact CA-O 3.22Å; I210-L242 HydrophobicContact CG1-CB 4.3Å; I210-L242 HydrophobicContact CG1-CD1 4.22Å; I210-L242 HydrophobicContact CG2-CB 4.45Å; I210-L260 HydrophobicContact CG2-CD2 3.77Å
211	T	98.8	Very high	95.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.6	-178	-172.5	0	0	0	0	111.9	Y164 K225 V228 V241 L242 V243 A244	Y164-T211 PolarHBondContact O-OG1 3.36Å; T211-K225 HydrophobicContact CG2-CD 4.34Å; T211-V228 HydrophobicContact CG2-CB 4.35Å; T211-V228 HydrophobicContact CG2-CG1 4.36Å; T211-V228 HydrophobicContact CG2-CG2 4Å; T211-V241 HydrophobicContact CG2-CG1 4.04Å; T211-L242 PolarHBondContact N-O 3.1Å; T211-V243 HydrophobicContact CG2-CG2 4.25Å; T211-V243 WeakPolarHBondContact O-CA 3.34Å; T211-A244 PolarHBondContact O-N 3.1Å
212	F	98.6	Very high	95.1	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	163.7	159.1	-73.4	-64	0	0	0	111.2	M165 P166 S168 L170 Q214 L224 K225 A244 R246	M165-F212 HydrophobicContact CB-CD2 4.01Å; M165-F212 HydrophobicContact CB-CE2 4.17Å; M165-F212 HydrophobicContact CG-CD2 3.8Å; M165-F212 HydrophobicContact CG-CE2 4.16Å; M165-F212 HydrophobicContact CG-CG 4.41Å; M165-F212 HydrophobicContact SD-CD2 3.84Å; M165-F212 HydrophobicContact SD-CE2 3.75Å; M165-F212 HydrophobicContact SD-CG 4.29Å; M165-F212 HydrophobicContact SD-CZ 4.11Å; P166-F212 HydrophobicContact CG-CD2 4.32Å; S168-F212 WeakPolarHBondContact OG-CE2 3.49Å; L170-F212 HydrophobicContact CB-CE1 4.43Å; L170-F212 HydrophobicContact CB-CZ 3.88Å; L170-F212 HydrophobicContact CD2-CE1 3.66Å; L170-F212 HydrophobicContact CD2-CZ 3.92Å; L170-F212 HydrophobicContact CG-CZ 4.49Å; F212-Q214 WeakPolarHBondContact CB-O 3.33Å; F212-L224 HydrophobicContact CB-CD1 4.12Å; F212-L224 WeakPolarHBondContact O-CB 3.33Å; F212-K225 PolarHBondContact O-N 2.92Å; F212-A244 CarbonylContact C-O 3.5Å; F212-A244 VanDerWaalsContact CA-O 3.25Å; F212-A244 WeakPolarHBondContact CA-O 3.41Å; F212-A244 HydrophobicContact CD1-CB 3.54Å; F212-A244 HydrophobicContact CE1-CB 3.64Å; F212-R246 HydrophobicContact CB-CB 4.07Å; F212-R246 HydrophobicContact CD1-CB 3.88Å; F212-R246 HydrophobicContact CD2-CB 4.31Å; F212-R246 HydrophobicContact CE1-CB 4.38Å; F212-R246 HydrophobicContact CG-CB 3.85Å
213	N	98.3	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-57.7	-51.2	165.2	66.8	-28	0	0	0	111.1	L224 K225 A244 H245 R246 T247 T249 V251	N213-L224 PolarHBondContact O-N 2.88Å; N213-K225 PolarHBondContact O-N 2.72Å; N213-A244 PolarHBondContact N-O 3.02Å; N213-H245 PolarHBondContact ND2-CD2 3.44Å; N213-H245 WeakPolarHBondContact OD1-CA 3.35Å; N213-R246 PolarHBondContact OD1-N 3.31Å; N213-T247 PolarHBondContact ND2-O 2.82Å; N213-T247 PolarHBondContact ND2-OG1 3.49Å; N213-T247 VanDerWaalsContact ND2-OG1 3.07Å; N213-T247 PolarHBondContact OD1-N 2.9Å; N213-T249 PolarHBondContact ND2-O 2.88Å; N213-V251 HydrophobicContact CB-CB 4.46Å; N213-V251 HydrophobicContact CB-CG1 3.84Å; N213-V251 HydrophobicContact CB-CG2 3.74Å
214	Q	98.1	Very high	95.4	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.047	19%	0.193	C	C	.	.			trans	-141.2	156.3	-177.6	-68.3	-177.7	-34.6	0	0	110.8	F212 V221 V222 E223 R246 T247 T249	F212-Q214 WeakPolarHBondContact CB-O 3.33Å; Q214-V221 HydrophobicContact CB-CG1 4.01Å; Q214-V221 VanDerWaalsContact CD-CG1 3.46Å; Q214-V221 HydrophobicContact CG-CG1 3.97Å; Q214-V222 CarbonylContact C-O 3.32Å; Q214-V222 WeakPolarHBondContact CA-O 3.41Å; Q214-E223 WeakPolarHBondContact CG-OE2 3.41Å; Q214-E223 PolarHBondContact NE2-OE1 3.39Å; Q214-E223 PolarHBondContact NE2-OE2 3.31Å; Q214-R246 WeakPolarHBondContact O-CB 3.42Å; Q214-T247 HydrophobicContact CB-CG2 4.02Å; Q214-T247 PolarHBondContact OE1-OG1 2.93Å; Q214-T249 VanDerWaalsContact OE1-CB 3.29Å; Q214-T249 PolarHBondContact OE1-OG1 2.82Å
215	G	93.7	Very high	95.6	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149	166.3	0	0	0	0	0	110.5	V221 V222	G215-V221 CarbonylContact O-C 3.2Å; G215-V221 WeakPolarHBondContact O-CA 3.27Å; G215-V222 PolarHBondContact N-O 2.99Å; G215-V222 PolarHBondContact O-N 2.79Å
216	L	94.2	Very high	95.6	Very high	40 Å²	40	40.8 Å²	40.8	21%	0.209	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.3	170	-64.2	-177.1	0	0	0	109	D126 R220 V221 T247 E354	D126-L216 HydrophobicContact CB-CB 4.3Å; L216-R220 WeakPolarHBondContact CA-O 3.32Å; L216-V221 HydrophobicContact CD2-CB 4.49Å; L216-V221 HydrophobicContact CD2-CG2 3.76Å; L216-T247 HydrophobicContact CD1-CG2 4.18Å; L216-T247 HydrophobicContact CD2-CG2 4.01Å; L216-T247 HydrophobicContact CG-CG2 4.02Å; L216-E354 VanDerWaalsContact O-CG 3.29Å; L216-E354 WeakPolarHBondContact O-CG 3.28Å
217	R	87.8	Confident	95.6	Very high	138 Å²	138	42.6 Å²	42.6	52%	0.521	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	120.6	175.9	-175.6	168.5	-178.4	-99.1	4	111.6	G219 R220 T356	R217-G219 VanDerWaalsContact C-N 3.32Å; R217-G219 PolarHBondContact O-N 2.81Å; R217-R220 PolarHBondContact N-O 2.77Å; R217-R220 WeakPolarHBondContact O-CB 3.36Å; R217-R220 PolarHBondContact O-N 2.9Å; R217-R220 VanDerWaalsContact O-N 3.17Å; R217-T356 HydrophobicContact CG-CG2 3.79Å
218	G	88.7	Confident	95.6	Very high	16 Å²	16	41 Å²	41	17%	0.165	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	38.2	179.5	0	0	0	0	0	113.2	D126 R220 Y359	D126-G218 VanDerWaalsContact CG-N 3.3Å; D126-G218 PolarHBondContact OD1-N 2.66Å; D126-G218 PolarHBondContact OD2-N 2.91Å; D126-G218 VanDerWaalsContact OD2-N 3.1Å; G218-R220 PolarHBondContact O-N 3.09Å; G218-Y359 VanDerWaalsContact C-CD2 3.46Å
219	G	89.8	Confident	95.5	Very high	44 Å²	44	43 Å²	43	45%	0.454	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	7.2	-175.7	0	0	0	0	0	114.3	D126 R217	D126-G219 PolarHBondContact OD2-N 3.39Å; R217-G219 VanDerWaalsContact C-N 3.32Å; R217-G219 PolarHBondContact O-N 2.81Å
220	R	89.9	Confident	95.5	Very high	193 Å²	193	47.9 Å²	47.9	73%	0.728	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.1	-178.4	-59.6	179.5	-175.9	-179.7	0.5	111.3	L216 R217 G218	L216-R220 WeakPolarHBondContact CA-O 3.32Å; R217-R220 PolarHBondContact N-O 2.77Å; R217-R220 WeakPolarHBondContact O-CB 3.36Å; R217-R220 PolarHBondContact O-N 2.9Å; R217-R220 VanDerWaalsContact O-N 3.17Å; G218-R220 PolarHBondContact O-N 3.09Å
221	V	95.1	Very high	95.4	Very high	75 Å²	75	48 Å²	48	46%	0.455	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	175.3	-177.1	0	0	0	0	109.7	Q214 G215 L216	Q214-V221 HydrophobicContact CB-CG1 4.01Å; Q214-V221 VanDerWaalsContact CD-CG1 3.46Å; Q214-V221 HydrophobicContact CG-CG1 3.97Å; G215-V221 CarbonylContact O-C 3.2Å; G215-V221 WeakPolarHBondContact O-CA 3.27Å; L216-V221 HydrophobicContact CD2-CB 4.49Å; L216-V221 HydrophobicContact CD2-CG2 3.76Å
222	V	90.5	Very high	95.4	Very high	52 Å²	52	48.8 Å²	48.8	32%	0.315	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125	170.7	-177	0	0	0	0	108.9	Q214 G215 L224 I227	Q214-V222 CarbonylContact C-O 3.32Å; Q214-V222 WeakPolarHBondContact CA-O 3.41Å; G215-V222 PolarHBondContact N-O 2.99Å; G215-V222 PolarHBondContact O-N 2.79Å; V222-L224 VanDerWaalsContact C-N 3.31Å; V222-L224 HydrophobicContact CB-CD2 4.45Å; V222-L224 HydrophobicContact CG1-CD2 3.8Å; V222-L224 HydrophobicContact CG1-CG 4.34Å; V222-L224 PolarHBondContact O-N 2.66Å; V222-I227 HydrophobicContact CG1-CD1 4.19Å
223	E	96.8	Very high	95.3	Very high	81 Å²	81	55.4 Å²	55.4	38%	0.379	27%	0.27	S	S	.	.			trans	-80.4	70.6	-177.5	-59.9	-62.2	161	0	0	112.1	Q214 K225 K226 I227	Q214-E223 WeakPolarHBondContact CG-OE2 3.41Å; Q214-E223 PolarHBondContact NE2-OE1 3.39Å; Q214-E223 PolarHBondContact NE2-OE2 3.31Å; E223-K225 PolarHBondContact O-N 3.45Å; E223-K226 HydrophobicContact CB-CB 3.89Å; E223-K226 HydrophobicContact CB-CD 4.43Å; E223-K226 WeakPolarHBondContact O-CB 3.33Å; E223-K226 PolarHBondContact O-N 3.15Å; E223-I227 WeakPolarHBondContact O-CG1 3.24Å; E223-I227 PolarHBondContact O-N 2.77Å
224	L	98	Very high	95.3	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-45.8	-172.9	-63.5	173.4	0	0	0	113	Y164 P166 A190 F212 N213 V222 K226 I227 V228	Y164-L224 HydrophobicContact CD1-CD2 4.22Å; Y164-L224 HydrophobicContact CE1-CD2 3.7Å; P166-L224 VanDerWaalsContact CD-CD1 3.44Å; P166-L224 HydrophobicContact CG-CD1 4.26Å; A190-L224 HydrophobicContact CB-CD2 3.92Å; F212-L224 HydrophobicContact CB-CD1 4.12Å; F212-L224 WeakPolarHBondContact O-CB 3.33Å; N213-L224 PolarHBondContact O-N 2.88Å; V222-L224 VanDerWaalsContact C-N 3.31Å; V222-L224 HydrophobicContact CB-CD2 4.45Å; V222-L224 HydrophobicContact CG1-CD2 3.8Å; V222-L224 HydrophobicContact CG1-CG 4.34Å; V222-L224 PolarHBondContact O-N 2.66Å; L224-K226 VanDerWaalsContact C-N 3.29Å; L224-K226 PolarHBondContact O-N 2.99Å; L224-I227 WeakPolarHBondContact O-CB 3.47Å; L224-I227 PolarHBondContact O-N 2.95Å; L224-I227 VanDerWaalsContact O-N 3.11Å; L224-V228 WeakPolarHBondContact O-CG2 3.38Å; L224-V228 PolarHBondContact O-N 3.11Å
225	K	98.4	Very high	95.2	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-38.7	178	177.9	56.3	161.7	61.5	0	112.1	T211 F212 N213 E223 I227 V228 D229 V243 V251 P252 D257	T211-K225 HydrophobicContact CG2-CD 4.34Å; F212-K225 PolarHBondContact O-N 2.92Å; N213-K225 PolarHBondContact O-N 2.72Å; E223-K225 PolarHBondContact O-N 3.45Å; K225-I227 VanDerWaalsContact C-N 3.32Å; K225-I227 PolarHBondContact O-N 3.28Å; K225-V228 PolarHBondContact O-N 3.18Å; K225-D229 WeakPolarHBondContact CE-OD1 3.31Å; K225-D229 IonicContact NZ-OD1 3.76Å; K225-D229 PolarHBondContact NZ-OD1 2.85Å; K225-D229 IonicContact NZ-OD2 2.91Å; K225-D229 PolarHBondContact NZ-OD2 3.01Å; K225-D229 WeakPolarHBondContact O-CB 3.36Å; K225-D229 PolarHBondContact O-N 3.21Å; K225-V243 HydrophobicContact CD-CG1 4.23Å; K225-V243 HydrophobicContact CD-CG2 3.84Å; K225-V251 HydrophobicContact CB-CB 4.38Å; K225-V251 HydrophobicContact CB-CG1 4.37Å; K225-V251 HydrophobicContact CB-CG2 4.25Å; K225-V251 HydrophobicContact CG-CB 4.09Å; K225-V251 HydrophobicContact CG-CG2 3.9Å; K225-P252 PolarHBondContact NZ-O 2.72Å; K225-D257 WeakPolarHBondContact CE-OD1 3.29Å; K225-D257 VanDerWaalsContact CE-OD2 3.31Å; K225-D257 WeakPolarHBondContact CE-OD2 3.2Å; K225-D257 VanDerWaalsContact NZ-CG 3.3Å; K225-D257 IonicContact NZ-OD1 3.95Å; K225-D257 PolarHBondContact NZ-OD1 3.1Å; K225-D257 IonicContact NZ-OD2 3.93Å; K225-D257 PolarHBondContact NZ-OD2 2.94Å
226	K	97.9	Very high	95.4	Very high	155 Å²	155	64 Å²	64	67%	0.674	33%	0.328	S	S	*	.	H	α-helix	trans	-62.3	-40.2	175.8	-175.6	-178.2	176.8	-178.2	0	112	E223 L224 E230	E223-K226 HydrophobicContact CB-CB 3.89Å; E223-K226 HydrophobicContact CB-CD 4.43Å; E223-K226 WeakPolarHBondContact O-CB 3.33Å; E223-K226 PolarHBondContact O-N 3.15Å; L224-K226 VanDerWaalsContact C-N 3.29Å; L224-K226 PolarHBondContact O-N 2.99Å; K226-E230 PolarHBondContact O-N 2.8Å; K226-E230 VanDerWaalsContact O-N 3.15Å
227	I	96.9	Very high	95.6	Very high	37 Å²	37	64.4 Å²	64.4	19%	0.19	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-44.2	177	-64.6	167.1	0	0	0	110.3	Y164 A194 L197 V222 E223 L224 K225 E230 A231	Y164-I227 HydrophobicContact CE1-CB 4.17Å; Y164-I227 HydrophobicContact CE1-CG2 3.85Å; A194-I227 HydrophobicContact CB-CG2 4.04Å; A194-I227 WeakPolarHBondContact CB-O 3.35Å; L197-I227 HydrophobicContact CD2-CG2 4.41Å; V222-I227 HydrophobicContact CG1-CD1 4.19Å; E223-I227 WeakPolarHBondContact O-CG1 3.24Å; E223-I227 PolarHBondContact O-N 2.77Å; L224-I227 WeakPolarHBondContact O-CB 3.47Å; L224-I227 PolarHBondContact O-N 2.95Å; L224-I227 VanDerWaalsContact O-N 3.11Å; K225-I227 VanDerWaalsContact C-N 3.32Å; K225-I227 PolarHBondContact O-N 3.28Å; I227-E230 PolarHBondContact O-N 3.41Å; I227-A231 WeakPolarHBondContact O-CB 3.42Å; I227-A231 PolarHBondContact O-N 3.12Å
228	V	98.6	Very high	96.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.9	173.3	0	0	0	0	111.1	Y164 L197 V209 T211 L224 K225 E230 A231 V232 V241	Y164-V228 HydrophobicContact CD1-CG2 3.61Å; Y164-V228 HydrophobicContact CE1-CG2 4.39Å; Y164-V228 HydrophobicContact CG-CG2 4.27Å; L197-V228 HydrophobicContact CD2-CG2 3.96Å; V209-V228 HydrophobicContact CB-CG1 4.46Å; V209-V228 HydrophobicContact CG1-CG1 3.94Å; V209-V228 HydrophobicContact CG1-CG2 4.33Å; T211-V228 HydrophobicContact CG2-CB 4.35Å; T211-V228 HydrophobicContact CG2-CG1 4.36Å; T211-V228 HydrophobicContact CG2-CG2 4Å; L224-V228 WeakPolarHBondContact O-CG2 3.38Å; L224-V228 PolarHBondContact O-N 3.11Å; K225-V228 PolarHBondContact O-N 3.18Å; V228-E230 VanDerWaalsContact C-N 3.27Å; V228-E230 PolarHBondContact O-N 3.43Å; V228-A231 PolarHBondContact O-N 3.34Å; V228-A231 VanDerWaalsContact O-N 3.11Å; V228-V232 HydrophobicContact CG1-CG1 3.96Å; V228-V232 WeakPolarHBondContact O-CG1 3.14Å; V228-V232 WeakPolarHBondContact O-CG2 3.03Å; V228-V232 PolarHBondContact O-N 2.97Å; V228-V241 HydrophobicContact CG1-CG1 3.69Å; V228-V241 HydrophobicContact CG1-CG2 4.31Å
229	D	98.5	Very high	96.6	Very high	45 Å²	45	62.1 Å²	62.1	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-39	177.8	-74.2	-16.2	0	0	0	112.6	K225 K233	K225-D229 WeakPolarHBondContact CE-OD1 3.31Å; K225-D229 IonicContact NZ-OD1 3.76Å; K225-D229 PolarHBondContact NZ-OD1 2.85Å; K225-D229 IonicContact NZ-OD2 2.91Å; K225-D229 PolarHBondContact NZ-OD2 3.01Å; K225-D229 WeakPolarHBondContact O-CB 3.36Å; K225-D229 PolarHBondContact O-N 3.21Å; D229-K233 WeakPolarHBondContact O-CG 3.22Å
230	E	97.8	Very high	97	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-69.3	-43.5	174.9	-168.9	59.5	-135.2	0	0	111.4	A194 K226 I227 V228 K233	A194-E230 HydrophobicContact CB-CB 3.68Å; A194-E230 HydrophobicContact CB-CG 3.82Å; K226-E230 PolarHBondContact O-N 2.8Å; K226-E230 VanDerWaalsContact O-N 3.15Å; I227-E230 PolarHBondContact O-N 3.41Å; V228-E230 VanDerWaalsContact C-N 3.27Å; V228-E230 PolarHBondContact O-N 3.43Å; E230-K233 IonicContact OE1-NZ 3.75Å; E230-K233 PolarHBondContact OE1-NZ 3.32Å; E230-K233 IonicContact OE2-NZ 3.94Å; E230-K233 PolarHBondContact OE2-NZ 2.86Å
231	A	96.8	Very high	97.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-45.3	-179.2	0	0	0	0	0	112.5	A194 L197 A198 I227 V228 K233 S234 C235	A194-A231 HydrophobicContact CB-CB 4.2Å; A194-A231 WeakPolarHBondContact O-CB 3.41Å; L197-A231 HydrophobicContact CB-CB 4.17Å; L197-A231 HydrophobicContact CD2-CB 3.79Å; L197-A231 HydrophobicContact CG-CB 3.92Å; A198-A231 HydrophobicContact CB-CB 4.1Å; I227-A231 WeakPolarHBondContact O-CB 3.42Å; I227-A231 PolarHBondContact O-N 3.12Å; V228-A231 PolarHBondContact O-N 3.34Å; V228-A231 VanDerWaalsContact O-N 3.11Å; A231-K233 PolarHBondContact O-N 2.56Å; A231-S234 PolarHBondContact O-N 3.03Å; A231-S234 PolarHBondContact O-OG 3.45Å; A231-S234 VanDerWaalsContact O-OG 3.09Å; A231-C235 PolarHBondContact O-SG 3.2Å
232	V	98.1	Very high	97.6	Very high	18 Å²	18	49.7 Å²	49.7	11%	0.109	26%	0.257	C	S	.	.	H	α-helix	trans	-70.2	-16.6	-172.9	-61.8	0	0	0	0	113.5	V209 V228 S234 C235 V238 V241	V209-V232 HydrophobicContact CG2-CG1 4.16Å; V228-V232 HydrophobicContact CG1-CG1 3.96Å; V228-V232 WeakPolarHBondContact O-CG1 3.14Å; V228-V232 WeakPolarHBondContact O-CG2 3.03Å; V228-V232 PolarHBondContact O-N 2.97Å; V232-S234 PolarHBondContact O-N 3.08Å; V232-C235 PolarHBondContact O-N 2.98Å; V232-V238 HydrophobicContact CG1-CG1 4.21Å; V232-V238 HydrophobicContact CG1-CG2 4.46Å; V232-V241 HydrophobicContact CG1-CG2 4.03Å
233	K	97.8	Very high	98	Very high	149 Å²	149	47.2 Å²	47.2	65%	0.648	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.6	172.3	-71.1	169.2	-173.6	175.7	0	112.7	D229 E230 A231	D229-K233 WeakPolarHBondContact O-CG 3.22Å; E230-K233 IonicContact OE1-NZ 3.75Å; E230-K233 PolarHBondContact OE1-NZ 3.32Å; E230-K233 IonicContact OE2-NZ 3.94Å; E230-K233 PolarHBondContact OE2-NZ 2.86Å; A231-K233 PolarHBondContact O-N 2.56Å
234	S	97	Very high	98.1	Very high	68 Å²	68	43.4 Å²	43.4	48%	0.476	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	15	179.3	60.8	0	0	0	0	113.2	A198 N202 A231 V232 P236	A198-S234 WeakPolarHBondContact CB-OG 3.21Å; N202-S234 PolarHBondContact ND2-O 3.23Å; N202-S234 PolarHBondContact OD1-O 3.07Å; A231-S234 PolarHBondContact O-N 3.03Å; A231-S234 PolarHBondContact O-OG 3.45Å; A231-S234 VanDerWaalsContact O-OG 3.09Å; V232-S234 PolarHBondContact O-N 3.08Å; S234-P236 WeakPolarHBondContact O-CD 3.26Å
235	C	97.8	Very high	98.1	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	24%	0.235	C	C	.	.			trans	-119.3	78.9	-176	-60.6	0	0	0	0	112.2	I201 N202 A231 V232 T237 V238	I201-C235 HydrophobicContact CG2-CB 3.53Å; I201-C235 WeakPolarHBondContact CG2-SG 3.38Å; N202-C235 WeakPolarHBondContact OD1-CA 3.39Å; A231-C235 PolarHBondContact O-SG 3.2Å; V232-C235 PolarHBondContact O-N 2.98Å; C235-T237 PolarHBondContact O-N 3.14Å; C235-T237 VanDerWaalsContact O-N 3.07Å; C235-V238 HydrophobicContact CB-CB 4.49Å; C235-V238 HydrophobicContact CB-CG2 3.81Å; C235-V238 PolarHBondContact O-N 3.26Å; C235-V238 VanDerWaalsContact O-N 3.12Å
236	P	97.5	Very high	98	Very high	121 Å²	121	47.1 Å²	47.1	79%	0.786	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.2	-172.1	27.5	-36.4	0	0	0	114.6	S234	S234-P236 WeakPolarHBondContact O-CD 3.26Å
237	T	98	Very high	97.9	Very high	49 Å²	49	40.7 Å²	40.7	30%	0.301	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.3	177.6	59.5	0	0	0	0	113.2	K205 C206 C235 Q239	K205-T237 HydrophobicContact CB-CG2 4.14Å; K205-T237 HydrophobicContact CG-CG2 4.48Å; C206-T237 CarbonylContact O-C 3.46Å; C206-T237 VanDerWaalsContact O-C 3.31Å; C206-T237 WeakPolarHBondContact O-CB 3.3Å; C206-T237 PolarHBondContact O-OG1 3.29Å; C235-T237 PolarHBondContact O-N 3.14Å; C235-T237 VanDerWaalsContact O-N 3.07Å; T237-Q239 PolarHBondContact O-N 3.38Å
238	V	98.6	Very high	97.9	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	23%	0.231	C	C	.	.			trans	-74.6	119.8	-178.1	176.9	0	0	0	0	109.6	I201 C206 V209 V232 C235 V241	I201-V238 HydrophobicContact CG2-CG2 3.53Å; C206-V238 PolarHBondContact O-N 2.92Å; V209-V238 HydrophobicContact CG2-CG1 4.05Å; V209-V238 HydrophobicContact CG2-CG2 3.98Å; V232-V238 HydrophobicContact CG1-CG1 4.21Å; V232-V238 HydrophobicContact CG1-CG2 4.46Å; C235-V238 HydrophobicContact CB-CB 4.49Å; C235-V238 HydrophobicContact CB-CG2 3.81Å; C235-V238 PolarHBondContact O-N 3.26Å; C235-V238 VanDerWaalsContact O-N 3.12Å; V238-V241 HydrophobicContact CG1-CG2 4.07Å
239	Q	98.5	Very high	97.8	Very high	96 Å²	96	47 Å²	47	45%	0.449	25%	0.251	S	S	.	.			trans	-98	-30.9	177.9	-61.1	-178.8	-4.7	0	0	111.7	K207 T237 L256	K207-Q239 HydrophobicContact CG-CB 4.43Å; K207-Q239 HydrophobicContact CG-CG 4.09Å; K207-Q239 PolarHBondContact O-N 3.08Å; T237-Q239 PolarHBondContact O-N 3.38Å; Q239-L256 VanDerWaalsContact O-CD2 3.32Å; Q239-L256 WeakPolarHBondContact O-CD2 3.35Å
240	H	98.6	Very high	97.6	Very high	50 Å²	50	54 Å²	54	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.8	-174.2	-64	-56.2	0	0	0	112.5	H153 A208 V209 L242 L256 I258	H153-H240 PolarHBondContact O-CD2 2.9Å; A208-H240 VanDerWaalsContact CA-O 3.24Å; A208-H240 WeakPolarHBondContact CA-O 3.47Å; V209-H240 PolarHBondContact N-O 2.98Å; H240-L242 HydrophobicContact CB-CD1 4.35Å; H240-L256 CarbonylContact C-O 3.48Å; H240-L256 WeakPolarHBondContact CA-O 3.45Å; H240-I258 HydrophobicContact CB-CD1 3.67Å
241	V	98.8	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.7	169.9	-179.4	0	0	0	0	107.9	V209 T211 V228 V232 V238 V243 L256 D257 I258	V209-V241 HydrophobicContact CB-CG2 4.39Å; V209-V241 CarbonylContact O-C 3.59Å; V209-V241 WeakPolarHBondContact O-CA 3.34Å; T211-V241 HydrophobicContact CG2-CG1 4.04Å; V228-V241 HydrophobicContact CG1-CG1 3.69Å; V228-V241 HydrophobicContact CG1-CG2 4.31Å; V232-V241 HydrophobicContact CG1-CG2 4.03Å; V238-V241 HydrophobicContact CG1-CG2 4.07Å; V241-V243 HydrophobicContact CG1-CG2 3.88Å; V241-L256 HydrophobicContact CG2-CB 4.37Å; V241-L256 PolarHBondContact N-O 3Å; V241-D257 WeakPolarHBondContact CB-OD1 3.41Å; V241-D257 CarbonylContact O-C 3.55Å; V241-D257 WeakPolarHBondContact O-CA 3.32Å; V241-I258 PolarHBondContact O-N 2.85Å
242	L	98.8	Very high	97.5	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.5	180	-61.8	91.9	0	0	0	108.8	T149 L150 A208 V209 I210 T211 H240 I258 L260	T149-L242 HydrophobicContact CG2-CD2 4.07Å; L150-L242 HydrophobicContact CD2-CD1 4.19Å; L150-L242 HydrophobicContact CD2-CD2 3.95Å; A208-L242 HydrophobicContact CB-CD1 3.92Å; V209-L242 PolarHBondContact O-N 2.62Å; I210-L242 WeakPolarHBondContact CA-O 3.22Å; I210-L242 HydrophobicContact CG1-CB 4.3Å; I210-L242 HydrophobicContact CG1-CD1 4.22Å; I210-L242 HydrophobicContact CG2-CB 4.45Å; T211-L242 PolarHBondContact N-O 3.1Å; H240-L242 HydrophobicContact CB-CD1 4.35Å; L242-I258 HydrophobicContact CG-CB 4.41Å; L242-I258 HydrophobicContact CG-CD1 4.28Å; L242-L260 HydrophobicContact CB-CB 4.35Å; L242-L260 HydrophobicContact CB-CD1 4.04Å; L242-L260 HydrophobicContact CB-CD2 4.17Å; L242-L260 HydrophobicContact CB-CG 4.44Å; L242-L260 HydrophobicContact CD2-CD1 3.67Å; L242-L260 HydrophobicContact CG-CD1 4.46Å
243	V	98.8	Very high	97.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.8	-170.9	-170.8	0	0	0	0	110	T211 K225 V241 V251 M253 D257 I258 L260	T211-V243 HydrophobicContact CG2-CG2 4.25Å; T211-V243 WeakPolarHBondContact O-CA 3.34Å; K225-V243 HydrophobicContact CD-CG1 4.23Å; K225-V243 HydrophobicContact CD-CG2 3.84Å; V241-V243 HydrophobicContact CG1-CG2 3.88Å; V243-V251 HydrophobicContact CG1-CG2 4.41Å; V243-M253 HydrophobicContact CB-CE 4.1Å; V243-M253 HydrophobicContact CB-SD 4.18Å; V243-M253 HydrophobicContact CG1-SD 4.31Å; V243-M253 HydrophobicContact CG2-CE 4.18Å; V243-M253 HydrophobicContact CG2-SD 4.18Å; V243-D257 HydrophobicContact CG2-CB 4.33Å; V243-I258 PolarHBondContact N-O 2.95Å; V243-L260 WeakPolarHBondContact O-CB 3.4Å; V243-L260 PolarHBondContact O-N 2.91Å
244	A	98.5	Very high	97.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	165.3	169.6	0	0	0	0	0	112.1	L170 T211 F212 N213 L260 E261	L170-A244 HydrophobicContact CD2-CB 3.34Å; T211-A244 PolarHBondContact O-N 3.1Å; F212-A244 CarbonylContact C-O 3.5Å; F212-A244 VanDerWaalsContact CA-O 3.25Å; F212-A244 WeakPolarHBondContact CA-O 3.41Å; F212-A244 HydrophobicContact CD1-CB 3.54Å; F212-A244 HydrophobicContact CE1-CB 3.64Å; N213-A244 PolarHBondContact N-O 3.02Å; A244-L260 HydrophobicContact CB-CB 4.19Å; A244-L260 HydrophobicContact CB-CD2 4.14Å; A244-E261 VanDerWaalsContact CA-OE2 3.3Å; A244-E261 WeakPolarHBondContact CA-OE2 3.32Å; A244-E261 HydrophobicContact CB-CG 4.31Å
245	H	97.7	Very high	97.4	Very high	53 Å²	53	56.3 Å²	56.3	25%	0.245	32%	0.321	C	S	.	.			trans	-108.1	109.1	179.2	-71	70.9	0	0	0	111.7	N213 E261	N213-H245 PolarHBondContact ND2-CD2 3.44Å; N213-H245 WeakPolarHBondContact OD1-CA 3.35Å; H245-E261 VanDerWaalsContact N-CD 3.32Å; H245-E261 PolarHBondContact N-OE1 3.26Å; H245-E261 PolarHBondContact N-OE2 2.94Å; H245-E261 IonicContact ND1-OE2 3.3Å
246	R	96.6	Very high	97.4	Very high	29 Å²	29	59 Å²	59	11%	0.109	34%	0.335	C	S	.	.	S	Bend	trans	-80.4	-31.2	167.9	176.9	57.6	-171	81.9	-1.9	111.7	F212 N213 Q214 E354	F212-R246 HydrophobicContact CB-CB 4.07Å; F212-R246 HydrophobicContact CD1-CB 3.88Å; F212-R246 HydrophobicContact CD2-CB 4.31Å; F212-R246 HydrophobicContact CE1-CB 4.38Å; F212-R246 HydrophobicContact CG-CB 3.85Å; N213-R246 PolarHBondContact OD1-N 3.31Å; Q214-R246 WeakPolarHBondContact O-CB 3.42Å; R246-E354 IonicContact CZ-OE1 3.72Å; R246-E354 IonicContact CZ-OE2 2.88Å; R246-E354 IonicContact NE-OE1 2.76Å; R246-E354 PolarHBondContact NE-OE1 2.61Å; R246-E354 IonicContact NE-OE2 2.66Å; R246-E354 IonicContact NH2-OE1 3.19Å; R246-E354 PolarHBondContact NH2-OE1 2.75Å; R246-E354 IonicContact NH2-OE2 2.83Å; R246-E354 PolarHBondContact NH2-OE2 2.76Å
247	T	96.7	Very high	97.4	Very high	21 Å²	21	54.3 Å²	54.3	13%	0.129	30%	0.304	C	S	.	.	S	Bend	trans	-122.9	162.5	177.9	68.1	0	0	0	0	110.1	N213 Q214 L216 T249	N213-T247 PolarHBondContact ND2-O 2.82Å; N213-T247 PolarHBondContact ND2-OG1 3.49Å; N213-T247 VanDerWaalsContact ND2-OG1 3.07Å; N213-T247 PolarHBondContact OD1-N 2.9Å; Q214-T247 HydrophobicContact CB-CG2 4.02Å; Q214-T247 PolarHBondContact OE1-OG1 2.93Å; L216-T247 HydrophobicContact CD1-CG2 4.18Å; L216-T247 HydrophobicContact CD2-CG2 4.01Å; L216-T247 HydrophobicContact CG-CG2 4.02Å; T247-T249 PolarHBondContact O-N 2.74Å; T247-T249 PolarHBondContact OG1-N 3.05Å; T247-T249 PolarHBondContact OG1-OG1 3.15Å
248	D	95.9	Very high	97.4	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	29%	0.292	S	S	*	.	S	Bend	trans	-75.3	1.4	177.1	-62.5	-36.5	0	0	0	112.9	K250	D248-K250 PolarHBondContact O-N 2.94Å
249	T	96.7	Very high	97.4	Very high	66 Å²	66	53.7 Å²	53.7	41%	0.405	30%	0.3	S	S	.	.			trans	-68.1	122.6	178.7	-52.7	0	0	0	0	110.7	N213 Q214 T247	N213-T249 PolarHBondContact ND2-O 2.88Å; Q214-T249 VanDerWaalsContact OE1-CB 3.29Å; Q214-T249 PolarHBondContact OE1-OG1 2.82Å; T247-T249 PolarHBondContact O-N 2.74Å; T247-T249 PolarHBondContact OG1-N 3.05Å; T247-T249 PolarHBondContact OG1-OG1 3.15Å
250	K	94.9	Very high	97.4	Very high	193 Å²	193	49.1 Å²	49.1	84%	0.839	28%	0.279	S	S	*	.			trans	-73.2	137.3	172.8	-64.3	-176.2	-179.7	-179.1	0	110.3	D248	D248-K250 PolarHBondContact O-N 2.94Å
251	V	96.7	Very high	97.4	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	28%	0.278	C	S	.	.			trans	-119.9	152.6	175.2	-69.3	0	0	0	0	110.3	N213 K225 V243 M253	N213-V251 HydrophobicContact CB-CB 4.46Å; N213-V251 HydrophobicContact CB-CG1 3.84Å; N213-V251 HydrophobicContact CB-CG2 3.74Å; K225-V251 HydrophobicContact CB-CB 4.38Å; K225-V251 HydrophobicContact CB-CG1 4.37Å; K225-V251 HydrophobicContact CB-CG2 4.25Å; K225-V251 HydrophobicContact CG-CB 4.09Å; K225-V251 HydrophobicContact CG-CG2 3.9Å; V243-V251 HydrophobicContact CG1-CG2 4.41Å; V251-M253 PolarHBondContact O-N 3.27Å
252	P	96.5	Very high	97.3	Very high	103 Å²	103	54.9 Å²	54.9	67%	0.669	31%	0.306	S	S	*	.			trans	-57.7	135.1	173.2	-23.1	34.3	0	0	0	111.5	K225	K225-P252 PolarHBondContact NZ-O 2.72Å
253	M	97.7	Very high	97.3	Very high	82 Å²	82	55.7 Å²	55.7	40%	0.404	31%	0.31	S	S	.	.			trans	-116.5	117.1	175.5	-61.4	-67.8	-75.9	0	0	108.5	V243 V251 D257 P259	V243-M253 HydrophobicContact CB-CE 4.1Å; V243-M253 HydrophobicContact CB-SD 4.18Å; V243-M253 HydrophobicContact CG1-SD 4.31Å; V243-M253 HydrophobicContact CG2-CE 4.18Å; V243-M253 HydrophobicContact CG2-SD 4.18Å; V251-M253 PolarHBondContact O-N 3.27Å; M253-D257 VanDerWaalsContact CA-OD2 3.31Å; M253-D257 WeakPolarHBondContact CA-OD2 3.45Å; M253-D257 HydrophobicContact CB-CB 4.25Å; M253-D257 HydrophobicContact CE-CB 3.54Å; M253-D257 HydrophobicContact SD-CB 3.96Å; M253-P259 HydrophobicContact CE-CB 4.35Å
254	G	95.6	Very high	97.3	Very high	48 Å²	48	56.2 Å²	56.2	50%	0.495	31%	0.312	S	S	.	.			trans	-96.3	-169.8	176.3	0	0	0	0	0	113	L256 D257	G254-L256 VanDerWaalsContact C-N 3.32Å; G254-L256 PolarHBondContact O-N 3.39Å; G254-D257 PolarHBondContact N-OD2 3.29Å; G254-D257 PolarHBondContact O-N 3.38Å
255	S	96.1	Very high	97.3	Very high	127 Å²	127	59 Å²	59	89%	0.888	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.3	-176.1	52.6	0	0	0	0	114.7	D257	S255-D257 VanDerWaalsContact C-N 3.34Å
256	L	97.5	Very high	97.3	Very high	61 Å²	61	63.1 Å²	63.1	32%	0.319	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.3	174.9	-61.9	176.7	0	0	0	112.2	Q239 H240 V241 G254	Q239-L256 VanDerWaalsContact O-CD2 3.32Å; Q239-L256 WeakPolarHBondContact O-CD2 3.35Å; H240-L256 CarbonylContact C-O 3.48Å; H240-L256 WeakPolarHBondContact CA-O 3.45Å; V241-L256 HydrophobicContact CG2-CB 4.37Å; V241-L256 PolarHBondContact N-O 3Å; G254-L256 VanDerWaalsContact C-N 3.32Å; G254-L256 PolarHBondContact O-N 3.39Å
257	D	98.6	Very high	97.4	Very high	23 Å²	23	63.4 Å²	63.4	12%	0.123	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.7	-166.5	-64.6	-41.4	0	0	0	112.8	K225 V241 V243 M253 G254 S255	K225-D257 WeakPolarHBondContact CE-OD1 3.29Å; K225-D257 VanDerWaalsContact CE-OD2 3.31Å; K225-D257 WeakPolarHBondContact CE-OD2 3.2Å; K225-D257 VanDerWaalsContact NZ-CG 3.3Å; K225-D257 IonicContact NZ-OD1 3.95Å; K225-D257 PolarHBondContact NZ-OD1 3.1Å; K225-D257 IonicContact NZ-OD2 3.93Å; K225-D257 PolarHBondContact NZ-OD2 2.94Å; V241-D257 WeakPolarHBondContact CB-OD1 3.41Å; V241-D257 CarbonylContact O-C 3.55Å; V241-D257 WeakPolarHBondContact O-CA 3.32Å; V243-D257 HydrophobicContact CG2-CB 4.33Å; M253-D257 VanDerWaalsContact CA-OD2 3.31Å; M253-D257 WeakPolarHBondContact CA-OD2 3.45Å; M253-D257 HydrophobicContact CB-CB 4.25Å; M253-D257 HydrophobicContact CE-CB 3.54Å; M253-D257 HydrophobicContact SD-CB 3.96Å; G254-D257 PolarHBondContact N-OD2 3.29Å; G254-D257 PolarHBondContact O-N 3.38Å; S255-D257 VanDerWaalsContact C-N 3.34Å
258	I	98.4	Very high	97.5	Very high	11 Å²	11	64.9 Å²	64.9	6%	0.056	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.6	178	-62.4	169.7	0	0	0	108.6	H153 H240 V241 L242 V243 L260 E263	H153-I258 HydrophobicContact CB-CD1 4Å; H153-I258 VanDerWaalsContact CG-CD1 3.43Å; H153-I258 WeakPolarHBondContact ND1-CD1 3.12Å; H240-I258 HydrophobicContact CB-CD1 3.67Å; V241-I258 PolarHBondContact O-N 2.85Å; L242-I258 HydrophobicContact CG-CB 4.41Å; L242-I258 HydrophobicContact CG-CD1 4.28Å; V243-I258 PolarHBondContact N-O 2.95Å; I258-L260 PolarHBondContact O-N 2.94Å; I258-E263 HydrophobicContact CG2-CB 4.17Å; I258-E263 HydrophobicContact CG2-CG 3.38Å
259	P	98.1	Very high	97.6	Very high	35 Å²	35	62.3 Å²	62.3	23%	0.227	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	95.1	174.5	30.1	-33.9	0	0	0	110.3	M253 E261 Q262 E263	M253-P259 HydrophobicContact CE-CB 4.35Å; P259-E261 PolarHBondContact O-N 3.38Å; P259-Q262 HydrophobicContact CB-CB 4.2Å; P259-Q262 HydrophobicContact CB-CG 4.19Å; P259-Q262 HydrophobicContact CG-CB 4.27Å; P259-Q262 PolarHBondContact O-N 3.38Å; P259-E263 PolarHBondContact O-N 3.06Å
260	L	98.6	Very high	97.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-58.3	-49.4	-164.1	-178.9	51.4	0	0	0	113.2	L146 T149 L170 I210 L242 V243 A244 I258 Q262 E263 M264	L146-L260 HydrophobicContact CD1-CD1 3.66Å; L146-L260 HydrophobicContact CD1-CD2 4.23Å; L146-L260 HydrophobicContact CD1-CG 4.43Å; T149-L260 HydrophobicContact CG2-CD1 4.07Å; L170-L260 HydrophobicContact CD2-CD2 4.05Å; I210-L260 HydrophobicContact CG2-CD2 3.77Å; L242-L260 HydrophobicContact CB-CB 4.35Å; L242-L260 HydrophobicContact CB-CD1 4.04Å; L242-L260 HydrophobicContact CB-CD2 4.17Å; L242-L260 HydrophobicContact CB-CG 4.44Å; L242-L260 HydrophobicContact CD2-CD1 3.67Å; L242-L260 HydrophobicContact CG-CD1 4.46Å; V243-L260 WeakPolarHBondContact O-CB 3.4Å; V243-L260 PolarHBondContact O-N 2.91Å; A244-L260 HydrophobicContact CB-CB 4.19Å; A244-L260 HydrophobicContact CB-CD2 4.14Å; I258-L260 PolarHBondContact O-N 2.94Å; L260-Q262 VanDerWaalsContact C-N 3.3Å; L260-Q262 PolarHBondContact O-N 3.04Å; L260-E263 PolarHBondContact O-N 2.98Å; L260-M264 HydrophobicContact CD1-CG 3.89Å; L260-M264 HydrophobicContact CD1-SD 3.85Å; L260-M264 HydrophobicContact CD2-SD 4.46Å; L260-M264 HydrophobicContact CG-CG 4.35Å; L260-M264 HydrophobicContact CG-SD 3.8Å; L260-M264 WeakPolarHBondContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CG 3.31Å; L260-M264 PolarHBondContact O-N 2.93Å
261	E	97.8	Very high	97.8	Very high	46 Å²	46	55.1 Å²	55.1	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-35.5	-177.3	-60.6	119.6	137.7	0	0	112.5	L13 A244 H245 P259 A265	L13-E261 HydrophobicContact CD1-CB 4.31Å; A244-E261 VanDerWaalsContact CA-OE2 3.3Å; A244-E261 WeakPolarHBondContact CA-OE2 3.32Å; A244-E261 HydrophobicContact CB-CG 4.31Å; H245-E261 VanDerWaalsContact N-CD 3.32Å; H245-E261 PolarHBondContact N-OE1 3.26Å; H245-E261 PolarHBondContact N-OE2 2.94Å; H245-E261 IonicContact ND1-OE2 3.3Å; P259-E261 PolarHBondContact O-N 3.38Å; E261-A265 WeakPolarHBondContact O-CB 3.36Å; E261-A265 PolarHBondContact O-N 2.76Å
262	Q	97.9	Very high	97.9	Very high	125 Å²	125	59.2 Å²	59.2	58%	0.584	36%	0.355	S	S	*	.	H	α-helix	trans	-69.1	-39.2	178.3	-61.6	179.2	15.7	0	0	111.2	P259 L260 K266	P259-Q262 HydrophobicContact CB-CB 4.2Å; P259-Q262 HydrophobicContact CB-CG 4.19Å; P259-Q262 HydrophobicContact CG-CB 4.27Å; P259-Q262 PolarHBondContact O-N 3.38Å; L260-Q262 VanDerWaalsContact C-N 3.3Å; L260-Q262 PolarHBondContact O-N 3.04Å; Q262-K266 WeakPolarHBondContact O-CG 3.44Å
263	E	98.3	Very high	98	Very high	19 Å²	19	56.4 Å²	56.4	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-70.7	-42.2	175.6	-67.4	-45.3	110.4	0	0	111.8	T149 R152 I258 P259 L260 A265 K266	T149-E263 HydrophobicContact CG2-CB 3.88Å; R152-E263 IonicContact CZ-OE2 3.41Å; R152-E263 IonicContact NH1-OE2 3.84Å; R152-E263 PolarHBondContact NH1-OE2 2.68Å; R152-E263 IonicContact NH2-OE2 3.46Å; R152-E263 PolarHBondContact NH2-OE2 3.36Å; I258-E263 HydrophobicContact CG2-CB 4.17Å; I258-E263 HydrophobicContact CG2-CG 3.38Å; P259-E263 PolarHBondContact O-N 3.06Å; L260-E263 PolarHBondContact O-N 2.98Å; E263-A265 VanDerWaalsContact C-N 3.27Å; E263-A265 PolarHBondContact O-N 2.64Å; E263-K266 WeakPolarHBondContact O-CB 3.47Å; E263-K266 PolarHBondContact O-N 3.23Å; E263-K266 IonicContact OE1-NZ 2.72Å; E263-K266 PolarHBondContact OE1-NZ 2.88Å; E263-K266 IonicContact OE2-NZ 3.05Å
264	M	98.5	Very high	98	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.049	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-32.9	175.4	-75.4	176.2	65.7	0	0	113.3	T142 R145 L146 T149 L170 L260 K266 E267	T142-M264 HydrophobicContact CG2-CE 3.86Å; R145-M264 HydrophobicContact CB-CB 4.28Å; R145-M264 HydrophobicContact CB-CE 4.1Å; R145-M264 PolarHBondContact NH1-O 3.31Å; L146-M264 HydrophobicContact CB-CE 3.89Å; L146-M264 HydrophobicContact CB-SD 4.17Å; L146-M264 HydrophobicContact CD1-CG 4.46Å; L146-M264 HydrophobicContact CD1-SD 4.02Å; T149-M264 WeakPolarHBondContact OG1-CA 3.24Å; T149-M264 WeakPolarHBondContact OG1-CG 3.49Å; L170-M264 HydrophobicContact CD1-CE 4.14Å; L170-M264 HydrophobicContact CD1-SD 4.04Å; L260-M264 HydrophobicContact CD1-CG 3.89Å; L260-M264 HydrophobicContact CD1-SD 3.85Å; L260-M264 HydrophobicContact CD2-SD 4.46Å; L260-M264 HydrophobicContact CG-CG 4.35Å; L260-M264 HydrophobicContact CG-SD 3.8Å; L260-M264 WeakPolarHBondContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CG 3.31Å; L260-M264 PolarHBondContact O-N 2.93Å; M264-K266 PolarHBondContact O-N 2.7Å; M264-E267 PolarHBondContact O-N 2.91Å
265	A	98.1	Very high	98.2	Very high	59 Å²	59	55.1 Å²	55.1	49%	0.488	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22	176.4	0	0	0	0	0	112.8	E261 E263	E261-A265 WeakPolarHBondContact O-CB 3.36Å; E261-A265 PolarHBondContact O-N 2.76Å; E263-A265 VanDerWaalsContact C-N 3.27Å; E263-A265 PolarHBondContact O-N 2.64Å
266	K	98.3	Very high	98.3	Very high	139 Å²	139	49.2 Å²	49.2	60%	0.604	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.3	177.4	-59.7	168.4	-172.5	172.6	0	113	Q262 E263 M264	Q262-K266 WeakPolarHBondContact O-CG 3.44Å; E263-K266 WeakPolarHBondContact O-CB 3.47Å; E263-K266 PolarHBondContact O-N 3.23Å; E263-K266 IonicContact OE1-NZ 2.72Å; E263-K266 PolarHBondContact OE1-NZ 2.88Å; E263-K266 IonicContact OE2-NZ 3.05Å; M264-K266 PolarHBondContact O-N 2.7Å
267	E	98.4	Very high	98.4	Very high	36 Å²	36	48.3 Å²	48.3	17%	0.168	28%	0.279	C	S	.	.	S	Bend	trans	-85.5	160.5	-175.3	-62.1	-53.1	147.7	0	0	113.4	R145 N148 T149 R152 M264	R145-E267 HydrophobicContact CB-CB 4.4Å; R145-E267 PolarHBondContact NH1-O 2.92Å; N148-E267 HydrophobicContact CB-CB 3.87Å; N148-E267 HydrophobicContact CB-CG 3.9Å; N148-E267 WeakPolarHBondContact CB-OE2 3.47Å; T149-E267 VanDerWaalsContact OG1-CG 3.31Å; T149-E267 WeakPolarHBondContact OG1-CG 3.43Å; R152-E267 IonicContact CZ-OE1 3.15Å; R152-E267 IonicContact NE-OE1 2.69Å; R152-E267 PolarHBondContact NE-OE1 3.38Å; R152-E267 IonicContact NH2-OE1 2.76Å; R152-E267 PolarHBondContact NH2-OE1 2.78Å; R152-E267 VanDerWaalsContact NH2-OE1 3.14Å; M264-E267 PolarHBondContact O-N 2.91Å
268	A	98	Very high	98.4	Very high	52 Å²	52	47.3 Å²	47.3	43%	0.43	27%	0.273	S	S	.	.			trans	-73.7	148.5	172.1	0	0	0	0	0	111.7	N148 V270	N148-A268 PolarHBondContact ND2-O 2.98Å; A268-V270 PolarHBondContact O-N 2.88Å; A268-V270 VanDerWaalsContact O-N 3.16Å
269	P	98.2	Very high	98.4	Very high	48 Å²	48	49 Å²	49	31%	0.312	28%	0.281	S	S	.	.	S	Bend	trans	-76.7	12.5	173.3	34.2	-35.4	0	0	0	113.7	E141 C144	E141-P269 HydrophobicContact CB-CB 3.99Å; E141-P269 HydrophobicContact CG-CB 3.95Å; C144-P269 WeakPolarHBondContact CB-O 3.45Å
270	V	98.5	Very high	98.4	Very high	105 Å²	105	49.1 Å²	49.1	64%	0.636	28%	0.28	S	S	*	.			trans	-129.3	132.4	178.4	-178.2	0	0	0	0	108.3	N148 A268	N148-V270 PolarHBondContact ND2-O 3.24Å; A268-V270 PolarHBondContact O-N 2.88Å; A268-V270 VanDerWaalsContact O-N 3.16Å
271	C	98.6	Very high	98.4	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	29%	0.291	C	S	.	.			trans	-135.7	127.8	174.9	-177.2	0	0	0	0	107.8	C144 A147 N148 R180	C144-C271 HydrophobicContact CB-CB 3.91Å; C144-C271 PolarHBondContact SG-N 2.77Å; C144-C271 VanDerWaalsContact SG-N 3.39Å; A147-C271 HydrophobicContact CB-CB 4.12Å; N148-C271 WeakPolarHBondContact OD1-CB 3.42Å; N148-C271 PolarHBondContact OD1-SG 2.82Å; R180-C271 PolarHBondContact NE-O 3.25Å; R180-C271 PolarHBondContact NH2-O 3.38Å
272	T	98.3	Very high	98.4	Very high	111 Å²	111	49.2 Å²	49.2	68%	0.681	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-67	124.6	176	-54.7	0	0	0	0	109.4
273	P	98.6	Very high	98.5	Very high	44 Å²	44	43.3 Å²	43.3	29%	0.286	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-69.7	142.8	177.1	29.8	-33.6	0	0	0	110.8	N102 V105 R180	N102-P273 HydrophobicContact CB-CB 4.1Å; V105-P273 HydrophobicContact CG2-CB 3.71Å; V105-P273 HydrophobicContact CG2-CG 3.64Å; R180-P273 HydrophobicContact CG-CB 4.07Å; R180-P273 WeakPolarHBondContact O-CA 3.48Å
274	E	98.5	Very high	98.4	Very high	65 Å²	65	42.4 Å²	42.4	30%	0.304	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-78.1	134.3	170.9	-62.1	-61.8	146	0	0	109.8	N102 K151 R180 I181 M276	N102-E274 PolarHBondContact ND2-O 3.06Å; K151-E274 IonicContact NZ-OE1 2.73Å; K151-E274 PolarHBondContact NZ-OE1 3.25Å; R180-E274 PolarHBondContact O-N 2.99Å; I181-E274 WeakPolarHBondContact O-CG 3.06Å; E274-M276 HydrophobicContact CB-SD 4Å; E274-M276 PolarHBondContact O-N 3.13Å
275	S	98.5	Very high	98.3	Very high	38 Å²	38	42 Å²	42	27%	0.266	25%	0.247	S	C	.	.			trans	-78.6	115.1	172.2	-163.4	0	0	0	0	109.5	D77 Q100 R157	D77-S275 WeakPolarHBondContact CB-OG 3.49Å; D77-S275 VanDerWaalsContact OD2-CB 3.31Å; D77-S275 WeakPolarHBondContact OD2-CB 3.46Å; D77-S275 PolarHBondContact OD2-OG 3.46Å; Q100-S275 WeakPolarHBondContact CB-OG 3.49Å; R157-S275 PolarHBondContact NH1-O 2.86Å
276	M	98.7	Very high	97.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.02	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.3	-173.7	-57.9	-60.5	-68.5	0	0	110.1	Q100 L101 R157 G182 E274 D280 Q301	Q100-M276 CarbonylContact C-O 3.36Å; Q100-M276 WeakPolarHBondContact CA-O 3.48Å; L101-M276 PolarHBondContact N-O 3.45Å; L101-M276 WeakPolarHBondContact O-CA 3.36Å; L101-M276 WeakPolarHBondContact O-CB 3.32Å; L101-M276 PolarHBondContact O-N 3.14Å; L101-M276 VanDerWaalsContact O-O 3.12Å; R157-M276 HydrophobicContact CG-CE 4.06Å; R157-M276 HydrophobicContact CG-SD 4.16Å; G182-M276 WeakPolarHBondContact CA-SD 3.44Å; E274-M276 HydrophobicContact CB-SD 4Å; E274-M276 PolarHBondContact O-N 3.13Å; M276-D280 HydrophobicContact CB-CB 4.42Å; M276-D280 HydrophobicContact CE-CB 3.72Å; M276-D280 WeakPolarHBondContact CE-OD2 3.43Å; M276-Q301 HydrophobicContact CB-CG 3.84Å
277	S	98.7	Very high	97	Very high	42 Å²	42	33.6 Å²	33.6	29%	0.294	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.2	171.6	-45.1	0	0	0	0	109.7	E279 D280 Q301	S277-E279 PolarHBondContact O-N 3.19Å; S277-D280 PolarHBondContact N-OD2 3.08Å; S277-D280 WeakPolarHBondContact O-CB 3.46Å; S277-D280 PolarHBondContact O-N 2.64Å; S277-D280 PolarHBondContact OG-OD2 3.39Å; S277-Q301 WeakPolarHBondContact O-CG 3.26Å
278	S	98.7	Very high	95.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-41.3	176.3	175.6	0	0	0	0	113.2	W95 F96 G99 Q301 A302	W95-S278 WeakPolarHBondContact O-CB 3.42Å; W95-S278 PolarHBondContact O-OG 2.83Å; F96-S278 VanDerWaalsContact O-CB 3.24Å; F96-S278 WeakPolarHBondContact O-CB 3.49Å; G99-S278 PolarHBondContact O-N 3.48Å; S278-Q301 WeakPolarHBondContact O-CB 3.45Å; S278-Q301 PolarHBondContact O-N 3.29Å; S278-A302 PolarHBondContact O-N 3.09Å; S278-A302 WeakPolarHBondContact OG-CB 3.29Å
279	E	98.4	Very high	93.6	Very high	45 Å²	45	29.8 Å²	29.8	21%	0.21	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	8.8	-176.6	-65.6	-58.6	144.7	0	0	114.2	W95 L97 S277 T300 R501	W95-E279 WeakPolarHBondContact CA-OE1 3.47Å; W95-E279 PolarHBondContact N-OE1 3.18Å; L97-E279 HydrophobicContact CD2-CG 3.73Å; S277-E279 PolarHBondContact O-N 3.19Å; E279-T300 WeakPolarHBondContact O-CG2 3.5Å; E279-T300 PolarHBondContact OE2-OG1 3.13Å; E279-R501 IonicContact OE1-CZ 3.8Å; E279-R501 IonicContact OE1-NE 3.97Å; E279-R501 IonicContact OE1-NH2 3.93Å; E279-R501 PolarHBondContact OE1-NH2 2.76Å; E279-R501 IonicContact OE2-CZ 3.26Å; E279-R501 IonicContact OE2-NE 3.67Å; E279-R501 PolarHBondContact OE2-NE 3.18Å; E279-R501 IonicContact OE2-NH2 2.75Å; E279-R501 PolarHBondContact OE2-NH2 3.45Å
280	D	98.6	Very high	91.3	Very high	39 Å²	39	31.2 Å²	31.2	21%	0.209	19%	0.185	C	C	.	.	S	Bend	trans	-67.2	146.9	169.6	-72.9	-16.9	0	0	0	110	R157 M276 S277 L282 T300 Q301	R157-D280 IonicContact CZ-OD2 2.76Å; R157-D280 IonicContact NE-OD2 3.43Å; R157-D280 IonicContact NH2-OD2 3.53Å; R157-D280 PolarHBondContact NH2-OD2 2.88Å; M276-D280 HydrophobicContact CB-CB 4.42Å; M276-D280 HydrophobicContact CE-CB 3.72Å; M276-D280 WeakPolarHBondContact CE-OD2 3.43Å; S277-D280 PolarHBondContact N-OD2 3.08Å; S277-D280 WeakPolarHBondContact O-CB 3.46Å; S277-D280 PolarHBondContact O-N 2.64Å; S277-D280 PolarHBondContact OG-OD2 3.39Å; D280-L282 PolarHBondContact O-N 2.8Å; D280-T300 WeakPolarHBondContact O-CA 3.42Å; D280-T300 WeakPolarHBondContact O-CB 3.41Å; D280-Q301 HydrophobicContact CB-CG 4.22Å; D280-Q301 WeakPolarHBondContact O-CG 3.06Å; D280-Q301 PolarHBondContact O-N 3.39Å
281	M	98.5	Very high	89.3	Confident	47 Å²	47	30.5 Å²	30.5	23%	0.232	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.3	177.1	-62.5	177.5	64.7	0	0	110.7	I184 M284 V298 Q301 Y504	I184-M281 HydrophobicContact CD1-CB 3.6Å; I184-M281 HydrophobicContact CD1-CE 3.81Å; I184-M281 HydrophobicContact CD1-CG 4.22Å; I184-M281 HydrophobicContact CD1-SD 3.67Å; I184-M281 HydrophobicContact CG1-CB 3.69Å; I184-M281 HydrophobicContact CG2-CB 4.41Å; I184-M281 HydrophobicContact CG2-CE 4.09Å; M281-M284 HydrophobicContact CE-CG 3.8Å; M281-M284 HydrophobicContact CE-SD 3.67Å; M281-V298 HydrophobicContact CB-CG1 4.34Å; M281-V298 HydrophobicContact CE-CB 4.5Å; M281-V298 HydrophobicContact CE-CG1 3.87Å; M281-V298 HydrophobicContact CE-CG2 3.84Å; M281-V298 HydrophobicContact CG-CG1 3.65Å; M281-V298 HydrophobicContact SD-CG1 4.32Å; M281-Q301 PolarHBondContact O-NE2 2.76Å; M281-Y504 HydrophobicContact CE-CD2 3.57Å; M281-Y504 HydrophobicContact CE-CE2 3.88Å; M281-Y504 HydrophobicContact SD-CD2 4.32Å; M281-Y504 HydrophobicContact SD-CE2 4.3Å
282	L	98.8	Very high	87.4	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-51.8	172.6	173.4	64.7	0	0	0	110.5	V103 A179 D280 H299 Y304 Y341	V103-L282 HydrophobicContact CB-CD1 4.09Å; V103-L282 HydrophobicContact CG1-CD1 4.21Å; V103-L282 HydrophobicContact CG1-CD2 4.24Å; V103-L282 HydrophobicContact CG2-CD1 4.15Å; V103-L282 HydrophobicContact CG2-CD2 4.12Å; A179-L282 HydrophobicContact CB-CD1 3.57Å; D280-L282 PolarHBondContact O-N 2.8Å; L282-H299 PolarHBondContact N-O 3.23Å; L282-Y304 HydrophobicContact CD2-CD1 3.73Å; L282-Y304 HydrophobicContact CD2-CE1 4.1Å; L282-Y341 HydrophobicContact CD2-CE1 4.28Å; L282-Y341 HydrophobicContact CD2-CE2 4.47Å
283	F	98.8	Very high	86	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	165.3	-179.9	71.7	-91.3	0	0	0	112.4	H185 L285 H299 Y304 I333 H336 Y341	H185-F283 WeakPolarHBondContact CE1-CB 3.35Å; H185-F283 AromaticContact CE1-CG 3.98Å; H185-F283 WeakPolarHBondContact NE2-CB 3.42Å; H185-F283 CarbonylContact O-C 3.59Å; H185-F283 WeakPolarHBondContact O-CA 3.48Å; H185-F283 VanDerWaalsContact O-CB 3.31Å; H185-F283 WeakPolarHBondContact O-CB 3.46Å; F283-L285 HydrophobicContact CD2-CB 4.26Å; F283-L285 HydrophobicContact CE2-CB 4.07Å; F283-H299 HydrophobicContact CD1-CB 3.94Å; F283-H299 HydrophobicContact CD2-CB 4.42Å; F283-H299 HydrophobicContact CE1-CB 3.42Å; F283-H299 VanDerWaalsContact CE1-CB 3.42Å; F283-H299 AromaticContact CE1-CG 3.99Å; F283-H299 HydrophobicContact CE2-CB 3.96Å; F283-H299 AromaticContact CE2-CD2 3.57Å; F283-H299 AromaticContact CE2-CG 3.99Å; F283-H299 HydrophobicContact CG-CB 4.4Å; F283-H299 HydrophobicContact CZ-CB 3.43Å; F283-H299 VanDerWaalsContact CZ-CB 3.43Å; F283-H299 AromaticContact CZ-CD2 3.48Å; F283-H299 VanDerWaalsContact CZ-CD2 3.48Å; F283-H299 WeakPolarHBondContact CZ-CD2 3.38Å; F283-H299 AromaticContact CZ-CG 3.5Å; F283-H299 VanDerWaalsContact CZ-CG 3.5Å; F283-H299 PolarHBondContact N-O 2.93Å; F283-H299 PolarHBondContact O-N 2.64Å; F283-H299 VanDerWaalsContact O-N 3.12Å; F283-Y304 HydrophobicContact CD1-CE1 4.49Å; F283-Y304 AromaticContact CE1-CD1 3.86Å; F283-Y304 HydrophobicContact CE1-CD1 3.86Å; F283-Y304 AromaticContact CE1-CD2 3.92Å; F283-Y304 HydrophobicContact CE1-CD2 3.92Å; F283-Y304 AromaticContact CE1-CE1 3.57Å; F283-Y304 HydrophobicContact CE1-CE1 3.57Å; F283-Y304 AromaticContact CE1-CE2 3.62Å; F283-Y304 HydrophobicContact CE1-CE2 3.62Å; F283-Y304 HydrophobicContact CE1-CG 4.04Å; F283-Y304 AromaticContact CE1-CZ 3.44Å; F283-Y304 VanDerWaalsContact CE1-CZ 3.44Å; F283-Y304 HydrophobicContact CZ-CD2 4.06Å; F283-Y304 HydrophobicContact CZ-CE1 4.33Å; F283-Y304 AromaticContact CZ-CE2 3.57Å; F283-Y304 HydrophobicContact CZ-CE2 3.57Å; F283-Y304 AromaticContact CZ-CZ 3.73Å; F283-I333 HydrophobicContact CE2-CD1 3.89Å; F283-I333 HydrophobicContact CZ-CD1 3.73Å; F283-H336 AromaticContact CD2-CD2 3.77Å; F283-H336 AromaticContact CE2-CD2 3.8Å; F283-Y341 HydrophobicContact CD1-CE2 4.35Å; F283-Y341 HydrophobicContact CE1-CE2 4.46Å
284	M	97.5	Very high	84.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.1	168	-61.9	179.6	-62.8	0	0	110.2	R160 I184 H185 T186 A204 M281 L297 V298 Y504	R160-M284 HydrophobicContact CB-CE 4.43Å; R160-M284 HydrophobicContact CG-CE 3.46Å; R160-M284 VanDerWaalsContact CG-CE 3.46Å; I184-M284 HydrophobicContact CG2-CE 4.15Å; I184-M284 HydrophobicContact CG2-CG 4.05Å; H185-M284 PolarHBondContact O-N 3.05Å; T186-M284 WeakPolarHBondContact CA-O 3.41Å; T186-M284 VanDerWaalsContact CB-O 3.3Å; T186-M284 WeakPolarHBondContact CB-O 3.44Å; T186-M284 PolarHBondContact OG1-O 3.47Å; A204-M284 HydrophobicContact CB-CE 3.43Å; A204-M284 VanDerWaalsContact CB-CE 3.43Å; M281-M284 HydrophobicContact CE-CG 3.8Å; M281-M284 HydrophobicContact CE-SD 3.67Å; M284-L297 VanDerWaalsContact CA-O 3.27Å; M284-L297 WeakPolarHBondContact CA-O 3.5Å; M284-V298 HydrophobicContact CG-CG2 4.24Å; M284-Y504 VanDerWaalsContact SD-CB 3.55Å; M284-Y504 HydrophobicContact SD-CD1 3.94Å; M284-Y504 HydrophobicContact SD-CD2 3.56Å; M284-Y504 VanDerWaalsContact SD-CD2 3.56Å; M284-Y504 HydrophobicContact SD-CE2 4.21Å; M284-Y504 HydrophobicContact SD-CG 3.4Å
285	L	95.1	Very high	84.2	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.5	171.8	-158.3	72.6	0	0	0	110.6	F283 L297 I333 H336 T439	F283-L285 HydrophobicContact CD2-CB 4.26Å; F283-L285 HydrophobicContact CE2-CB 4.07Å; L285-L297 PolarHBondContact N-O 2.69Å; L285-L297 PolarHBondContact O-N 2.93Å; L285-I333 HydrophobicContact CD2-CB 3.68Å; L285-I333 HydrophobicContact CD2-CD1 4.23Å; L285-H336 VanDerWaalsContact CD1-CE1 3.49Å; L285-H336 WeakPolarHBondContact CD1-CE1 3.48Å; L285-T439 HydrophobicContact CB-CG2 3.89Å; L285-T439 HydrophobicContact CD2-CG2 3.78Å; L285-T439 HydrophobicContact CG-CG2 4.24Å
286	Y	90.1	Very high	83.9	Confident	14 Å²	14	24.4 Å²	24.4	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.5	-175.8	-76.3	-91	0	0	0	111.8	R200 D203 A204 P294 K295	R200-Y286 HydrophobicContact CB-CD2 4Å; R200-Y286 HydrophobicContact CB-CE2 3.88Å; R200-Y286 HydrophobicContact CB-CG 4.4Å; R200-Y286 HydrophobicContact CG-CD1 3.99Å; R200-Y286 HydrophobicContact CG-CD2 3.77Å; R200-Y286 HydrophobicContact CG-CE1 4.28Å; R200-Y286 HydrophobicContact CG-CE2 4.09Å; R200-Y286 HydrophobicContact CG-CG 3.7Å; R200-Y286 PolarHBondContact O-OH 3.47Å; R200-Y286 VanDerWaalsContact O-OH 3.07Å; D203-Y286 HydrophobicContact CB-CE1 4.07Å; D203-Y286 WeakPolarHBondContact CB-OH 3.35Å; D203-Y286 VanDerWaalsContact OD2-CE1 3.26Å; D203-Y286 WeakPolarHBondContact OD2-CE1 3.35Å; D203-Y286 PolarHBondContact OD2-OH 2.91Å; A204-Y286 WeakPolarHBondContact CA-OH 3.36Å; A204-Y286 HydrophobicContact CB-CE2 4.46Å; A204-Y286 VanDerWaalsContact CB-OH 3.3Å; A204-Y286 WeakPolarHBondContact CB-OH 3.39Å; A204-Y286 PolarHBondContact N-OH 3.5Å; Y286-P294 HydrophobicContact CD1-CB 3.62Å; Y286-P294 HydrophobicContact CE1-CB 4.42Å; Y286-P294 HydrophobicContact CG-CB 4.38Å; Y286-K295 VanDerWaalsContact CA-O 3.26Å; Y286-K295 WeakPolarHBondContact CA-O 3.42Å
287	T	80.6	Confident	83.8	Confident	6 Å²	6	24.2 Å²	24.2	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.1	168	69.5	0	0	0	0	110.4	P294 K295 L297 T439	T287-P294 WeakPolarHBondContact O-CA 3.4Å; T287-K295 PolarHBondContact N-O 3.17Å; T287-K295 PolarHBondContact O-N 2.74Å; T287-K295 VanDerWaalsContact OG1-CE 3.24Å; T287-K295 WeakPolarHBondContact OG1-CE 3.36Å; T287-L297 HydrophobicContact CG2-CD2 4.14Å; T287-L297 WeakPolarHBondContact OG1-CD2 3.38Å; T287-T439 VanDerWaalsContact CG2-CB 3.4Å; T287-T439 HydrophobicContact CG2-CG2 3.52Å
288	S	67.6	Low	83.8	Confident	6 Å²	6	22.4 Å²	22.4	4%	0.042	13%	0.134	C	C	.	.			trans	-66.1	140.7	173.1	-56.5	0	0	0	0	110.8	K295 R552 L553 E557	S288-K295 VanDerWaalsContact O-CE 3.31Å; S288-K295 WeakPolarHBondContact O-CE 3.3Å; S288-R552 PolarHBondContact OG-O 2.89Å; S288-L553 WeakPolarHBondContact OG-CA 3.43Å; S288-E557 VanDerWaalsContact CB-OE2 3.28Å; S288-E557 WeakPolarHBondContact CB-OE2 3.43Å; S288-E557 PolarHBondContact OG-OE2 2.76Å
289	G	56	Low	83.8	Confident	3 Å²	3	22.3 Å²	22.3	3%	0.031	13%	0.133	C	C	.	.			trans	-103.1	159.5	169.6	0	0	0	0	0	111	T291	G289-T291 PolarHBondContact O-N 3.36Å
290	S	51.1	Low	83.8	Confident	77 Å²	77	20.3 Å²	20.3	54%	0.538	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.9	168.8	52	0	0	0	0	113.2	A556	S290-A556 WeakPolarHBondContact O-CB 3.25Å
291	T	56.7	Low	83.8	Confident	90 Å²	90	18.5 Å²	18.5	55%	0.552	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	17.5	-176.1	66	0	0	0	0	113.4	G289 T293 R509	G289-T291 PolarHBondContact O-N 3.36Å; T291-T293 PolarHBondContact O-N 3.17Å; T291-R509 PolarHBondContact OG1-NH2 2.87Å
292	G	57.9	Low	83.9	Confident	12 Å²	12	16.3 Å²	16.3	12%	0.124	10%	0.103	C	C	.	.	S	Bend	trans	79.2	-48.1	179.1	0	0	0	0	0	114.9	P294 D560	G292-P294 WeakPolarHBondContact O-CD 3.33Å; G292-D560 VanDerWaalsContact CA-OD2 3.3Å; G292-D560 WeakPolarHBondContact CA-OD2 3.41Å
293	T	69.3	Low	83.9	Confident	79 Å²	79	16.2 Å²	16.2	49%	0.485	10%	0.103	S	C	.	.	S	Bend	trans	-71.1	126.5	179.3	-42.2	0	0	0	0	111.4	T291 R509	T291-T293 PolarHBondContact O-N 3.17Å; T293-R509 PolarHBondContact O-NH2 2.91Å
294	P	71.8	Confident	83.9	Confident	24 Å²	24	16.2 Å²	16.2	16%	0.156	10%	0.103	C	C	.	.			trans	-55.4	149.9	173.6	-27.5	37	0	0	0	112.7	Y286 T287 G292 R509	Y286-P294 HydrophobicContact CD1-CB 3.62Å; Y286-P294 HydrophobicContact CE1-CB 4.42Å; Y286-P294 HydrophobicContact CG-CB 4.38Å; T287-P294 WeakPolarHBondContact O-CA 3.4Å; G292-P294 WeakPolarHBondContact O-CD 3.33Å; P294-R509 PolarHBondContact O-NH1 3.28Å
295	K	86.3	Confident	83.9	Confident	19 Å²	19	16.2 Å²	16.2	8%	0.083	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.1	178	-64.4	177.5	-68	176.7	0	109.3	Y286 T287 S288 L297 E440 I503 R509 Y514	Y286-K295 VanDerWaalsContact CA-O 3.26Å; Y286-K295 WeakPolarHBondContact CA-O 3.42Å; T287-K295 PolarHBondContact N-O 3.17Å; T287-K295 PolarHBondContact O-N 2.74Å; T287-K295 VanDerWaalsContact OG1-CE 3.24Å; T287-K295 WeakPolarHBondContact OG1-CE 3.36Å; S288-K295 VanDerWaalsContact O-CE 3.31Å; S288-K295 WeakPolarHBondContact O-CE 3.3Å; K295-L297 HydrophobicContact CB-CD2 3.52Å; K295-L297 WeakPolarHBondContact O-CD2 3.28Å; K295-L297 PolarHBondContact O-N 3.14Å; K295-L297 VanDerWaalsContact O-N 3.1Å; K295-E440 IonicContact NZ-OE1 2.84Å; K295-I503 HydrophobicContact CB-CD1 4.12Å; K295-I503 HydrophobicContact CB-CG1 4.24Å; K295-I503 HydrophobicContact CB-CG2 4.35Å; K295-I503 HydrophobicContact CD-CD1 3.7Å; K295-I503 HydrophobicContact CG-CD1 3.89Å; K295-R509 VanDerWaalsContact CG-CZ 3.46Å; K295-Y514 PolarHBondContact NZ-OH 3.31Å
296	G	93.8	Very high	84.1	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	89.5	172.8	0	0	0	0	0	111.3	I503 Y504	G296-I503 WeakPolarHBondContact O-CA 3.36Å; G296-Y504 PolarHBondContact O-N 2.84Å
297	L	96.5	Very high	84.5	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.9	-179.3	-82.6	-64.2	0	0	0	110.2	M284 L285 T287 K295 T439 E440 A500 I503 F510 Y514	M284-L297 VanDerWaalsContact CA-O 3.27Å; M284-L297 WeakPolarHBondContact CA-O 3.5Å; L285-L297 PolarHBondContact N-O 2.69Å; L285-L297 PolarHBondContact O-N 2.93Å; T287-L297 HydrophobicContact CG2-CD2 4.14Å; T287-L297 WeakPolarHBondContact OG1-CD2 3.38Å; K295-L297 HydrophobicContact CB-CD2 3.52Å; K295-L297 WeakPolarHBondContact O-CD2 3.28Å; K295-L297 PolarHBondContact O-N 3.14Å; K295-L297 VanDerWaalsContact O-N 3.1Å; L297-T439 HydrophobicContact CB-CG2 4.32Å; L297-E440 HydrophobicContact CD1-CG 4.01Å; L297-E440 HydrophobicContact CG-CG 4.13Å; L297-A500 HydrophobicContact CB-CB 4.3Å; L297-A500 HydrophobicContact CD1-CB 3.82Å; L297-A500 HydrophobicContact CG-CB 4.46Å; L297-I503 HydrophobicContact CD1-CG1 4.18Å; L297-I503 HydrophobicContact CD2-CG1 4.46Å; L297-F510 HydrophobicContact CD1-CD2 4.31Å; L297-F510 HydrophobicContact CD1-CE2 4.29Å; L297-Y514 HydrophobicContact CD1-CE2 4.15Å
298	V	98.5	Very high	85.4	Confident	4 Å²	4	15.1 Å²	15.1	2%	0.024	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.2	-175.4	178.9	0	0	0	0	110.9	M281 M284 A500 R501 T502	M281-V298 HydrophobicContact CB-CG1 4.34Å; M281-V298 HydrophobicContact CE-CB 4.5Å; M281-V298 HydrophobicContact CE-CG1 3.87Å; M281-V298 HydrophobicContact CE-CG2 3.84Å; M281-V298 HydrophobicContact CG-CG1 3.65Å; M281-V298 HydrophobicContact SD-CG1 4.32Å; M284-V298 HydrophobicContact CG-CG2 4.24Å; V298-A500 CarbonylContact O-C 3.45Å; V298-A500 VanDerWaalsContact O-CA 3.32Å; V298-A500 WeakPolarHBondContact O-CA 3.45Å; V298-R501 PolarHBondContact O-N 2.63Å; V298-T502 HydrophobicContact CB-CG2 3.84Å; V298-T502 HydrophobicContact CG1-CG2 4.42Å; V298-T502 HydrophobicContact CG2-CG2 3.67Å; V298-T502 PolarHBondContact N-O 3.26Å
299	H	98.8	Very high	86.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.2	169.4	-78	-81.6	0	0	0	110.7	L282 F283 Y304 T439 G442 G498	L282-H299 PolarHBondContact N-O 3.23Å; F283-H299 HydrophobicContact CD1-CB 3.94Å; F283-H299 HydrophobicContact CD2-CB 4.42Å; F283-H299 HydrophobicContact CE1-CB 3.42Å; F283-H299 VanDerWaalsContact CE1-CB 3.42Å; F283-H299 AromaticContact CE1-CG 3.99Å; F283-H299 HydrophobicContact CE2-CB 3.96Å; F283-H299 AromaticContact CE2-CD2 3.57Å; F283-H299 AromaticContact CE2-CG 3.99Å; F283-H299 HydrophobicContact CG-CB 4.4Å; F283-H299 HydrophobicContact CZ-CB 3.43Å; F283-H299 VanDerWaalsContact CZ-CB 3.43Å; F283-H299 AromaticContact CZ-CD2 3.48Å; F283-H299 VanDerWaalsContact CZ-CD2 3.48Å; F283-H299 WeakPolarHBondContact CZ-CD2 3.38Å; F283-H299 AromaticContact CZ-CG 3.5Å; F283-H299 VanDerWaalsContact CZ-CG 3.5Å; F283-H299 PolarHBondContact N-O 2.93Å; F283-H299 PolarHBondContact O-N 2.64Å; F283-H299 VanDerWaalsContact O-N 3.12Å; H299-Y304 HydrophobicContact CB-CD2 4.14Å; H299-Y304 HydrophobicContact CB-CG 4.31Å; H299-Y304 AromaticContact CG-CD2 3.95Å; H299-Y304 AromaticContact ND1-CD2 3.55Å; H299-T439 PolarHBondContact CE1-O 2.86Å; H299-T439 PolarHBondContact NE2-O 2.77Å; H299-G442 VanDerWaalsContact CE1-CA 3.45Å; H299-G442 WeakPolarHBondContact CE1-CA 3.41Å; H299-G498 PolarHBondContact CE1-O 2.89Å; H299-G498 VanDerWaalsContact CE1-O 3.29Å; H299-G498 PolarHBondContact ND1-O 2.85Å
300	T	98.6	Very high	88.9	Confident	3 Å²	3	15.2 Å²	15.2	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-173.9	-174.9	55.6	0	0	0	0	112.4	E279 D280 Y304 R501	E279-T300 WeakPolarHBondContact O-CG2 3.5Å; E279-T300 PolarHBondContact OE2-OG1 3.13Å; D280-T300 WeakPolarHBondContact O-CA 3.42Å; D280-T300 WeakPolarHBondContact O-CB 3.41Å; T300-Y304 VanDerWaalsContact O-CB 3.25Å; T300-Y304 WeakPolarHBondContact O-CB 3.46Å; T300-R501 HydrophobicContact CG2-CB 4.43Å; T300-R501 HydrophobicContact CG2-CG 3.5Å; T300-R501 VanDerWaalsContact CG2-CG 3.5Å; T300-R501 PolarHBondContact OG1-NE 2.74Å; T300-R501 PolarHBondContact OG1-NH2 3.2Å
301	Q	98.8	Very high	91.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	7%	0.071	C	C	.	.	S	Bend	trans	-74.4	-77.8	-171	-54.6	-70.5	-11.2	0	0	112.3	L101 V103 M276 S277 S278 D280 M281 L305	L101-Q301 HydrophobicContact CD2-CB 3.87Å; V103-Q301 HydrophobicContact CG2-CB 4.13Å; M276-Q301 HydrophobicContact CB-CG 3.84Å; S277-Q301 WeakPolarHBondContact O-CG 3.26Å; S278-Q301 WeakPolarHBondContact O-CB 3.45Å; S278-Q301 PolarHBondContact O-N 3.29Å; D280-Q301 HydrophobicContact CB-CG 4.22Å; D280-Q301 WeakPolarHBondContact O-CG 3.06Å; D280-Q301 PolarHBondContact O-N 3.39Å; M281-Q301 PolarHBondContact O-NE2 2.76Å; Q301-L305 WeakPolarHBondContact O-CB 3.31Å; Q301-L305 PolarHBondContact O-N 3.33Å
302	A	98.8	Very high	93.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-76.6	-44.5	-161.9	0	0	0	0	0	112.9	L74 W76 F96 L101 S278 Y304 L305 L306	L74-A302 HydrophobicContact CD1-CB 4.13Å; W76-A302 HydrophobicContact CH2-CB 3.35Å; W76-A302 HydrophobicContact CZ2-CB 4.01Å; W76-A302 HydrophobicContact CZ3-CB 4.06Å; F96-A302 HydrophobicContact CD2-CB 3.98Å; L101-A302 HydrophobicContact CD1-CB 3.79Å; L101-A302 HydrophobicContact CD2-CB 3.8Å; L101-A302 HydrophobicContact CG-CB 4.49Å; S278-A302 PolarHBondContact O-N 3.09Å; S278-A302 WeakPolarHBondContact OG-CB 3.29Å; A302-Y304 PolarHBondContact O-N 3.43Å; A302-L305 PolarHBondContact O-N 2.75Å; A302-L306 VanDerWaalsContact O-CB 3.3Å; A302-L306 WeakPolarHBondContact O-CB 3.11Å; A302-L306 PolarHBondContact O-N 3.22Å
303	G	98.7	Very high	95.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-46.5	-178	0	0	0	0	0	112.8	Y307 P497	G303-Y307 WeakPolarHBondContact O-CB 3.38Å; G303-Y307 PolarHBondContact O-N 3.26Å; G303-Y307 VanDerWaalsContact O-N 3.11Å; G303-P497 CarbonylContact C-O 3.56Å; G303-P497 VanDerWaalsContact CA-O 3.25Å; G303-P497 WeakPolarHBondContact CA-O 3.44Å; G303-P497 CarbonylContact O-C 3.57Å; G303-P497 WeakPolarHBondContact O-CB 3.29Å
304	Y	98.9	Very high	96.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.9	-52.1	174.5	170.1	-95.9	0	0	0	111.7	L282 F283 H299 T300 A302 L306 Y307 A308 I333 H336 S337 Y341	L282-Y304 HydrophobicContact CD2-CD1 3.73Å; L282-Y304 HydrophobicContact CD2-CE1 4.1Å; F283-Y304 HydrophobicContact CD1-CE1 4.49Å; F283-Y304 AromaticContact CE1-CD1 3.86Å; F283-Y304 HydrophobicContact CE1-CD1 3.86Å; F283-Y304 AromaticContact CE1-CD2 3.92Å; F283-Y304 HydrophobicContact CE1-CD2 3.92Å; F283-Y304 AromaticContact CE1-CE1 3.57Å; F283-Y304 HydrophobicContact CE1-CE1 3.57Å; F283-Y304 AromaticContact CE1-CE2 3.62Å; F283-Y304 HydrophobicContact CE1-CE2 3.62Å; F283-Y304 HydrophobicContact CE1-CG 4.04Å; F283-Y304 AromaticContact CE1-CZ 3.44Å; F283-Y304 VanDerWaalsContact CE1-CZ 3.44Å; F283-Y304 HydrophobicContact CZ-CD2 4.06Å; F283-Y304 HydrophobicContact CZ-CE1 4.33Å; F283-Y304 AromaticContact CZ-CE2 3.57Å; F283-Y304 HydrophobicContact CZ-CE2 3.57Å; F283-Y304 AromaticContact CZ-CZ 3.73Å; H299-Y304 HydrophobicContact CB-CD2 4.14Å; H299-Y304 HydrophobicContact CB-CG 4.31Å; H299-Y304 AromaticContact CG-CD2 3.95Å; H299-Y304 AromaticContact ND1-CD2 3.55Å; T300-Y304 VanDerWaalsContact O-CB 3.25Å; T300-Y304 WeakPolarHBondContact O-CB 3.46Å; A302-Y304 PolarHBondContact O-N 3.43Å; Y304-L306 PolarHBondContact O-N 3.06Å; Y304-Y307 PolarHBondContact O-N 2.66Å; Y304-A308 WeakPolarHBondContact O-CB 3.24Å; Y304-A308 PolarHBondContact O-N 3.49Å; Y304-I333 HydrophobicContact CE2-CD1 4.36Å; Y304-H336 WeakPolarHBondContact OH-CB 3.17Å; Y304-S337 WeakPolarHBondContact OH-CA 3.49Å; Y304-S337 PolarHBondContact OH-N 2.77Å; Y304-S337 PolarHBondContact OH-OG 2.99Å; Y304-Y341 AromaticContact CE1-CD2 3.52Å; Y304-Y341 HydrophobicContact CE1-CD2 3.52Å; Y304-Y341 HydrophobicContact CE1-CE2 4.12Å; Y304-Y341 AromaticContact CE1-CG 3.73Å; Y304-Y341 HydrophobicContact CE1-CG 3.73Å; Y304-Y341 AromaticContact CZ-CD2 3.87Å; Y304-Y341 VanDerWaalsContact OH-CD2 3.3Å; Y304-Y341 WeakPolarHBondContact OH-CD2 3.45Å
305	L	98.9	Very high	97.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.9	-46	-175.5	-177.2	65.2	0	0	0	111.8	L74 V103 N106 Q301 A302 Y307 A308 A309 Y341 C345	L74-L305 HydrophobicContact CD2-CD2 3.88Å; L74-L305 HydrophobicContact CD2-CG 4.09Å; V103-L305 HydrophobicContact CB-CD2 4.37Å; V103-L305 HydrophobicContact CG1-CD1 4.18Å; V103-L305 HydrophobicContact CG1-CD2 4.22Å; V103-L305 HydrophobicContact CG2-CB 4.35Å; V103-L305 HydrophobicContact CG2-CD2 4.03Å; N106-L305 HydrophobicContact CB-CD2 3.49Å; N106-L305 VanDerWaalsContact CB-CD2 3.49Å; Q301-L305 WeakPolarHBondContact O-CB 3.31Å; Q301-L305 PolarHBondContact O-N 3.33Å; A302-L305 PolarHBondContact O-N 2.75Å; L305-Y307 VanDerWaalsContact C-N 3.34Å; L305-Y307 PolarHBondContact O-N 2.85Å; L305-A308 PolarHBondContact O-N 2.97Å; L305-A309 VanDerWaalsContact O-CB 3.28Å; L305-A309 WeakPolarHBondContact O-CB 3.32Å; L305-A309 PolarHBondContact O-N 3.09Å; L305-Y341 HydrophobicContact CD1-CD1 4.34Å; L305-C345 HydrophobicContact CD1-CB 3.82Å; L305-C345 HydrophobicContact CG-CB 4.38Å
306	L	98.8	Very high	98.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.4	-49.6	176.4	179.6	65	0	0	0	110.7	W66 A70 T73 L74 F96 A302 Y304 A309 M310	W66-L306 HydrophobicContact CE3-CD2 4.03Å; A70-L306 HydrophobicContact CB-CD2 3.63Å; T73-L306 HydrophobicContact CG2-CD1 4.14Å; L74-L306 HydrophobicContact CD1-CB 4.09Å; L74-L306 HydrophobicContact CG-CD1 4.41Å; F96-L306 HydrophobicContact CE2-CD2 3.95Å; F96-L306 HydrophobicContact CZ-CD2 3.55Å; A302-L306 VanDerWaalsContact O-CB 3.3Å; A302-L306 WeakPolarHBondContact O-CB 3.11Å; A302-L306 PolarHBondContact O-N 3.22Å; Y304-L306 PolarHBondContact O-N 3.06Å; L306-A309 PolarHBondContact O-N 2.8Å; L306-M310 HydrophobicContact CD1-CG 3.92Å; L306-M310 HydrophobicContact CG-CG 4.26Å; L306-M310 WeakPolarHBondContact O-CB 3.42Å; L306-M310 VanDerWaalsContact O-CG 3.24Å; L306-M310 WeakPolarHBondContact O-CG 3.32Å; L306-M310 PolarHBondContact O-N 2.97Å
307	Y	98.8	Very high	98.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.7	-43.2	-175.8	-166.5	-108.9	0	0	0	112	W66 G303 Y304 L305 A309 M310 T311 I444 F466 I469 W496	W66-Y307 AromaticContact CH2-CD2 3.74Å; W66-Y307 HydrophobicContact CH2-CD2 3.74Å; W66-Y307 AromaticContact CH2-CE2 3.94Å; W66-Y307 HydrophobicContact CH2-CE2 3.94Å; W66-Y307 HydrophobicContact CZ2-CD2 4.31Å; W66-Y307 HydrophobicContact CZ2-CE2 4.27Å; W66-Y307 HydrophobicContact CZ3-CD2 4.38Å; G303-Y307 WeakPolarHBondContact O-CB 3.38Å; G303-Y307 PolarHBondContact O-N 3.26Å; G303-Y307 VanDerWaalsContact O-N 3.11Å; Y304-Y307 PolarHBondContact O-N 2.66Å; L305-Y307 VanDerWaalsContact C-N 3.34Å; L305-Y307 PolarHBondContact O-N 2.85Å; Y307-A309 PolarHBondContact O-N 2.91Å; Y307-M310 PolarHBondContact O-N 2.87Å; Y307-T311 HydrophobicContact CD1-CG2 4.23Å; Y307-T311 HydrophobicContact CD2-CG2 4.42Å; Y307-T311 HydrophobicContact CE1-CG2 3.93Å; Y307-T311 HydrophobicContact CE2-CG2 4.13Å; Y307-T311 HydrophobicContact CG-CG2 4.46Å; Y307-T311 WeakPolarHBondContact O-CB 3.44Å; Y307-T311 WeakPolarHBondContact O-CG2 3.43Å; Y307-T311 PolarHBondContact O-N 3.27Å; Y307-T311 PolarHBondContact O-OG1 2.71Å; Y307-I444 PolarHBondContact OH-O 3.49Å; Y307-F466 AromaticContact CE2-CD1 3.86Å; Y307-F466 HydrophobicContact CE2-CD1 3.86Å; Y307-F466 HydrophobicContact CE2-CE1 4.19Å; Y307-I469 WeakPolarHBondContact OH-CD1 3.46Å; Y307-I469 WeakPolarHBondContact OH-CG1 3.18Å; Y307-W496 AromaticContact CE1-CD1 3.69Å; Y307-W496 AromaticContact CE1-NE1 3.85Å; Y307-W496 AromaticContact CE2-CD1 3.73Å; Y307-W496 HydrophobicContact CE2-CG 4.42Å; Y307-W496 AromaticContact CZ-CD1 3.52Å; Y307-W496 AromaticContact CZ-NE1 4Å
308	A	98.8	Very high	98.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.6	-42.9	174.5	0	0	0	0	0	111.8	Y304 L305 T311 H312	Y304-A308 WeakPolarHBondContact O-CB 3.24Å; Y304-A308 PolarHBondContact O-N 3.49Å; L305-A308 PolarHBondContact O-N 2.97Å; A308-T311 PolarHBondContact O-OG1 2.86Å; A308-H312 WeakPolarHBondContact O-CB 3.46Å; A308-H312 PolarHBondContact O-N 3.33Å
309	A	98.7	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.2	-45.9	177.4	0	0	0	0	0	112.1	L305 L306 Y307 K313 C345 N346	L305-A309 VanDerWaalsContact O-CB 3.28Å; L305-A309 WeakPolarHBondContact O-CB 3.32Å; L305-A309 PolarHBondContact O-N 3.09Å; L306-A309 PolarHBondContact O-N 2.8Å; Y307-A309 PolarHBondContact O-N 2.91Å; A309-K313 VanDerWaalsContact O-CB 3.29Å; A309-K313 WeakPolarHBondContact O-CB 3.38Å; A309-K313 PolarHBondContact O-N 3.22Å; A309-C345 HydrophobicContact CB-CB 3.93Å; A309-N346 PolarHBondContact O-ND2 2.87Å
310	M	98.4	Very high	98.2	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-44.9	-178.1	-70.2	-54.9	-60.4	0	0	112.4	L69 T73 L306 Y307 K313 L314 F466	L69-M310 HydrophobicContact CD1-CE 4.4Å; L69-M310 HydrophobicContact CD2-CE 3.98Å; T73-M310 HydrophobicContact CG2-SD 4.44Å; L306-M310 HydrophobicContact CD1-CG 3.92Å; L306-M310 HydrophobicContact CG-CG 4.26Å; L306-M310 WeakPolarHBondContact O-CB 3.42Å; L306-M310 VanDerWaalsContact O-CG 3.24Å; L306-M310 WeakPolarHBondContact O-CG 3.32Å; L306-M310 PolarHBondContact O-N 2.97Å; Y307-M310 PolarHBondContact O-N 2.87Å; M310-K313 PolarHBondContact O-N 2.89Å; M310-L314 HydrophobicContact CE-CD1 3.66Å; M310-L314 HydrophobicContact CE-CG 4.21Å; M310-L314 WeakPolarHBondContact O-CB 3.41Å; M310-L314 WeakPolarHBondContact O-CG 3.25Å; M310-L314 PolarHBondContact O-N 2.93Å; M310-F466 HydrophobicContact CB-CZ 4.35Å
311	T	98.7	Very high	98.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-40.8	177.5	52.7	0	0	0	0	111.4	Y307 A308 K313 V315 Y338 I444 F466	Y307-T311 HydrophobicContact CD1-CG2 4.23Å; Y307-T311 HydrophobicContact CD2-CG2 4.42Å; Y307-T311 HydrophobicContact CE1-CG2 3.93Å; Y307-T311 HydrophobicContact CE2-CG2 4.13Å; Y307-T311 HydrophobicContact CG-CG2 4.46Å; Y307-T311 WeakPolarHBondContact O-CB 3.44Å; Y307-T311 WeakPolarHBondContact O-CG2 3.43Å; Y307-T311 PolarHBondContact O-N 3.27Å; Y307-T311 PolarHBondContact O-OG1 2.71Å; A308-T311 PolarHBondContact O-OG1 2.86Å; T311-K313 PolarHBondContact O-N 2.97Å; T311-V315 WeakPolarHBondContact O-CB 3.47Å; T311-V315 WeakPolarHBondContact O-CG2 3.44Å; T311-V315 PolarHBondContact O-N 3.35Å; T311-Y338 WeakPolarHBondContact CB-OH 3.42Å; T311-Y338 PolarHBondContact OG1-OH 2.88Å; T311-I444 HydrophobicContact CG2-CB 4.35Å; T311-I444 WeakPolarHBondContact CG2-O 3.46Å; T311-F466 HydrophobicContact CG2-CD1 3.76Å; T311-F466 HydrophobicContact CG2-CD2 4.22Å; T311-F466 HydrophobicContact CG2-CE1 3.59Å; T311-F466 HydrophobicContact CG2-CE2 4.09Å; T311-F466 HydrophobicContact CG2-CG 4.06Å; T311-F466 HydrophobicContact CG2-CZ 3.77Å
312	H	98.7	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.7	-52	171.6	168.1	-95.1	0	0	0	110.9	A308 L314 F316 Y318 F324 Y338 N346	A308-H312 WeakPolarHBondContact O-CB 3.46Å; A308-H312 PolarHBondContact O-N 3.33Å; H312-L314 PolarHBondContact O-N 2.89Å; H312-F316 WeakPolarHBondContact O-CB 3.43Å; H312-F316 WeakPolarHBondContact O-CD2 3.5Å; H312-F316 PolarHBondContact O-N 2.87Å; H312-Y318 AromaticContact CE1-CD2 3.67Å; H312-Y318 AromaticContact CE1-CG 3.54Å; H312-F324 AromaticContact CD2-CE1 3.92Å; H312-F324 AromaticContact CD2-CE2 3.87Å; H312-F324 AromaticContact CD2-CZ 3.82Å; H312-F324 AromaticContact NE2-CD1 3.88Å; H312-F324 AromaticContact NE2-CD2 3.51Å; H312-F324 AromaticContact NE2-CE2 3.86Å; H312-F324 AromaticContact NE2-CG 3.55Å; H312-Y338 HydrophobicContact CB-CD1 4Å; H312-Y338 HydrophobicContact CB-CE1 3.99Å; H312-N346 PolarHBondContact ND1-ND2 3.03Å
313	K	98.2	Very high	98.1	Very high	47 Å²	47	23.4 Å²	23.4	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-48.9	-175.4	-176.3	174.9	-178.4	172.9	0	112.4	A44 A309 M310 T311 D317 Y318	A44-K313 PolarHBondContact O-NZ 2.93Å; A309-K313 VanDerWaalsContact O-CB 3.29Å; A309-K313 WeakPolarHBondContact O-CB 3.38Å; A309-K313 PolarHBondContact O-N 3.22Å; M310-K313 PolarHBondContact O-N 2.89Å; T311-K313 PolarHBondContact O-N 2.97Å; K313-D317 WeakPolarHBondContact O-CA 3.36Å; K313-D317 PolarHBondContact O-N 2.94Å; K313-Y318 PolarHBondContact O-N 3.48Å
314	L	97.4	Very high	98.1	Very high	33 Å²	33	23.4 Å²	23.4	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-89.4	-34.3	-168.2	-61.4	-177.7	0	0	0	114	A46 M310 H312 P450 F466 F467	A46-L314 HydrophobicContact CB-CD2 3.99Å; M310-L314 HydrophobicContact CE-CD1 3.66Å; M310-L314 HydrophobicContact CE-CG 4.21Å; M310-L314 WeakPolarHBondContact O-CB 3.41Å; M310-L314 WeakPolarHBondContact O-CG 3.25Å; M310-L314 PolarHBondContact O-N 2.93Å; H312-L314 PolarHBondContact O-N 2.89Å; L314-P450 HydrophobicContact CB-CB 4.45Å; L314-P450 HydrophobicContact CB-CG 4.31Å; L314-F466 HydrophobicContact CB-CE2 4.02Å; L314-F466 HydrophobicContact CB-CZ 4.33Å; L314-F466 HydrophobicContact CD1-CE2 4.33Å; L314-F466 HydrophobicContact CD1-CZ 4Å; L314-F467 HydrophobicContact CD1-CD2 4.19Å; L314-F467 HydrophobicContact CD1-CE2 3.87Å
315	V	98.3	Very high	98.1	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-73.4	-38	179	-179.3	0	0	0	0	110.5	T311 V433 T435 I444 A447 F466	T311-V315 WeakPolarHBondContact O-CB 3.47Å; T311-V315 WeakPolarHBondContact O-CG2 3.44Å; T311-V315 PolarHBondContact O-N 3.35Å; V315-V433 HydrophobicContact CG1-CB 4.13Å; V315-V433 HydrophobicContact CG1-CG1 4.21Å; V315-V433 HydrophobicContact CG1-CG2 4.09Å; V315-T435 HydrophobicContact CG1-CG2 4.15Å; V315-I444 HydrophobicContact CB-CD1 4.26Å; V315-I444 HydrophobicContact CG1-CD1 4.16Å; V315-I444 HydrophobicContact CG2-CB 4.41Å; V315-I444 HydrophobicContact CG2-CD1 4.28Å; V315-I444 HydrophobicContact CG2-CG2 4.02Å; V315-A447 HydrophobicContact CG1-CB 3.81Å; V315-A447 HydrophobicContact CG2-CB 4.46Å; V315-F466 HydrophobicContact CG2-CD2 3.93Å; V315-F466 HydrophobicContact CG2-CE2 3.94Å
316	F	98.3	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.8	-177.3	-65.9	-82.2	0	0	0	114.5	H312 Y318 F324 Y338 Q376 Y378 T405 V433 I444	H312-F316 WeakPolarHBondContact O-CB 3.43Å; H312-F316 WeakPolarHBondContact O-CD2 3.5Å; H312-F316 PolarHBondContact O-N 2.87Å; F316-Y318 VanDerWaalsContact C-N 3.32Å; F316-Y318 PolarHBondContact O-N 3.35Å; F316-F324 HydrophobicContact CB-CE2 3.92Å; F316-F324 AromaticContact CD1-CE2 3.66Å; F316-F324 HydrophobicContact CD1-CE2 3.66Å; F316-F324 HydrophobicContact CD1-CZ 4.04Å; F316-F324 AromaticContact CD2-CE2 3.88Å; F316-F324 HydrophobicContact CD2-CE2 3.88Å; F316-F324 AromaticContact CD2-CZ 3.91Å; F316-F324 HydrophobicContact CD2-CZ 3.91Å; F316-F324 HydrophobicContact CE1-CE2 4.1Å; F316-F324 HydrophobicContact CE1-CZ 4.01Å; F316-F324 HydrophobicContact CE2-CE2 4.29Å; F316-F324 AromaticContact CE2-CZ 3.88Å; F316-F324 HydrophobicContact CE2-CZ 3.88Å; F316-F324 AromaticContact CG-CE2 3.53Å; F316-F324 HydrophobicContact CG-CE2 3.53Å; F316-F324 AromaticContact CG-CZ 3.98Å; F316-F324 HydrophobicContact CG-CZ 3.98Å; F316-F324 HydrophobicContact CZ-CE2 4.39Å; F316-F324 AromaticContact CZ-CZ 3.94Å; F316-F324 HydrophobicContact CZ-CZ 3.94Å; F316-Y338 HydrophobicContact CE2-CD1 4.25Å; F316-Y338 HydrophobicContact CE2-CE1 4.43Å; F316-Q376 HydrophobicContact CB-CG 4.25Å; F316-Q376 HydrophobicContact CD1-CB 4.43Å; F316-Y378 HydrophobicContact CE1-CD1 4.26Å; F316-Y378 AromaticContact CE1-CD2 3.68Å; F316-Y378 HydrophobicContact CE1-CD2 3.68Å; F316-Y378 HydrophobicContact CE1-CE2 4.12Å; F316-Y378 AromaticContact CE1-CG 3.74Å; F316-Y378 HydrophobicContact CE1-CG 3.74Å; F316-Y378 HydrophobicContact CE2-CD1 4.5Å; F316-Y378 HydrophobicContact CE2-CE1 4.41Å; F316-Y378 AromaticContact CZ-CD1 3.65Å; F316-Y378 HydrophobicContact CZ-CD1 3.65Å; F316-Y378 AromaticContact CZ-CD2 3.59Å; F316-Y378 HydrophobicContact CZ-CD2 3.59Å; F316-Y378 AromaticContact CZ-CE1 3.72Å; F316-Y378 HydrophobicContact CZ-CE1 3.72Å; F316-Y378 AromaticContact CZ-CE2 3.64Å; F316-Y378 HydrophobicContact CZ-CE2 3.64Å; F316-Y378 AromaticContact CZ-CG 3.57Å; F316-Y378 HydrophobicContact CZ-CG 3.57Å; F316-Y378 AromaticContact CZ-CZ 3.7Å; F316-T405 HydrophobicContact CD1-CG2 4.07Å; F316-T405 PolarHBondContact O-OG1 3.03Å; F316-V433 HydrophobicContact CD1-CG2 4.2Å; F316-V433 HydrophobicContact CE1-CG2 3.97Å; F316-I444 HydrophobicContact CE2-CD1 3.63Å; F316-I444 HydrophobicContact CZ-CD1 4.14Å
317	D	96.2	Very high	97.8	Very high	95 Å²	95	24.5 Å²	24.5	51%	0.508	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	55	-172.4	-176.4	36.3	0	0	0	111.2	K313 Q319	K313-D317 WeakPolarHBondContact O-CA 3.36Å; K313-D317 PolarHBondContact O-N 2.94Å; D317-Q319 PolarHBondContact O-N 2.99Å; D317-Q319 PolarHBondContact OD1-NE2 3.03Å
318	Y	98	Very high	97.2	Very high	20 Å²	20	25.6 Å²	25.6	8%	0.078	16%	0.157	C	C	.	.			trans	-65.9	127	-178.1	171.5	-98.8	0	0	0	110.6	H312 K313 F316 D322 N346 A348	H312-Y318 AromaticContact CE1-CD2 3.67Å; H312-Y318 AromaticContact CE1-CG 3.54Å; K313-Y318 PolarHBondContact O-N 3.48Å; F316-Y318 VanDerWaalsContact C-N 3.32Å; F316-Y318 PolarHBondContact O-N 3.35Å; Y318-D322 HydrophobicContact CD2-CB 3.95Å; Y318-D322 HydrophobicContact CE2-CB 3.68Å; Y318-N346 HydrophobicContact CD1-CB 4.31Å; Y318-N346 HydrophobicContact CE1-CB 4.32Å; Y318-A348 HydrophobicContact CD2-CB 4.11Å; Y318-A348 HydrophobicContact CE1-CB 4.21Å; Y318-A348 HydrophobicContact CE2-CB 3.34Å; Y318-A348 VanDerWaalsContact CZ-CB 3.45Å; Y318-A348 VanDerWaalsContact OH-CA 3.28Å; Y318-A348 WeakPolarHBondContact OH-CA 3.39Å
319	Q	97.4	Very high	96.8	Very high	82 Å²	82	27.1 Å²	27.1	38%	0.383	17%	0.165	S	C	.	.			trans	-111	143.2	175.8	-58.1	-61	-34.1	0	0	110.6	D317 G321 D322	D317-Q319 PolarHBondContact O-N 2.99Å; D317-Q319 PolarHBondContact OD1-NE2 3.03Å; Q319-G321 PolarHBondContact O-N 3.49Å; Q319-D322 WeakPolarHBondContact CA-OD2 3.46Å; Q319-D322 WeakPolarHBondContact CB-OD2 3.43Å; Q319-D322 PolarHBondContact N-OD2 3.49Å; Q319-D322 VanDerWaalsContact O-CB 3.3Å; Q319-D322 WeakPolarHBondContact O-CB 3.31Å; Q319-D322 PolarHBondContact O-N 2.86Å
320	P	95.9	Very high	96.5	Very high	112 Å²	112	27.1 Å²	27.1	73%	0.727	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	129	175.1	-26.7	35.1	0	0	0	112.3
321	G	95.7	Very high	96.1	Very high	66 Å²	66	26.9 Å²	26.9	68%	0.68	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.2	-5.5	-177.3	0	0	0	0	0	114.9	Q319	Q319-G321 PolarHBondContact O-N 3.49Å
322	D	98.4	Very high	95.6	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	17%	0.173	C	C	.	.			trans	-67.2	149.4	173.1	-71.4	-26.6	0	0	0	113.3	Y318 Q319 N375 Q376 R404	Y318-D322 HydrophobicContact CD2-CB 3.95Å; Y318-D322 HydrophobicContact CE2-CB 3.68Å; Q319-D322 WeakPolarHBondContact CA-OD2 3.46Å; Q319-D322 WeakPolarHBondContact CB-OD2 3.43Å; Q319-D322 PolarHBondContact N-OD2 3.49Å; Q319-D322 VanDerWaalsContact O-CB 3.3Å; Q319-D322 WeakPolarHBondContact O-CB 3.31Å; Q319-D322 PolarHBondContact O-N 2.86Å; D322-N375 VanDerWaalsContact CA-OD1 3.3Å; D322-N375 WeakPolarHBondContact CA-OD1 3.43Å; D322-N375 HydrophobicContact CB-CB 4.01Å; D322-Q376 PolarHBondContact OD2-NE2 2.82Å; D322-R404 IonicContact OD1-CZ 2.78Å; D322-R404 IonicContact OD1-NH1 2.91Å; D322-R404 PolarHBondContact OD1-NH1 2.71Å; D322-R404 IonicContact OD1-NH2 3.14Å; D322-R404 PolarHBondContact OD1-NH2 3.18Å; D322-R404 IonicContact OD2-CZ 2.74Å; D322-R404 IonicContact OD2-NH2 3.36Å; D322-R404 PolarHBondContact OD2-NH2 2.83Å
323	V	98.8	Very high	95.4	Very high	18 Å²	18	29.6 Å²	29.6	11%	0.109	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.6	167.7	-179.5	0	0	0	0	109.3	I122 T349 V351 I374 N375	I122-V323 HydrophobicContact CD1-CG1 3.96Å; I122-V323 HydrophobicContact CD1-CG2 4.34Å; V323-T349 HydrophobicContact CG1-CG2 4.48Å; V323-T349 HydrophobicContact CG2-CG2 4.23Å; V323-V351 HydrophobicContact CG1-CG2 3.57Å; V323-I374 HydrophobicContact CG1-CG1 4.08Å; V323-N375 PolarHBondContact N-OD1 3.23Å; V323-N375 PolarHBondContact O-N 2.87Å
324	F	98.8	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.7	178.7	-166.6	-103.9	0	0	0	111	H312 F316 C326 Y338 P343 T349 T350 V351 Q376 Y378	H312-F324 AromaticContact CD2-CE1 3.92Å; H312-F324 AromaticContact CD2-CE2 3.87Å; H312-F324 AromaticContact CD2-CZ 3.82Å; H312-F324 AromaticContact NE2-CD1 3.88Å; H312-F324 AromaticContact NE2-CD2 3.51Å; H312-F324 AromaticContact NE2-CE2 3.86Å; H312-F324 AromaticContact NE2-CG 3.55Å; F316-F324 HydrophobicContact CB-CE2 3.92Å; F316-F324 AromaticContact CD1-CE2 3.66Å; F316-F324 HydrophobicContact CD1-CE2 3.66Å; F316-F324 HydrophobicContact CD1-CZ 4.04Å; F316-F324 AromaticContact CD2-CE2 3.88Å; F316-F324 HydrophobicContact CD2-CE2 3.88Å; F316-F324 AromaticContact CD2-CZ 3.91Å; F316-F324 HydrophobicContact CD2-CZ 3.91Å; F316-F324 HydrophobicContact CE1-CE2 4.1Å; F316-F324 HydrophobicContact CE1-CZ 4.01Å; F316-F324 HydrophobicContact CE2-CE2 4.29Å; F316-F324 AromaticContact CE2-CZ 3.88Å; F316-F324 HydrophobicContact CE2-CZ 3.88Å; F316-F324 AromaticContact CG-CE2 3.53Å; F316-F324 HydrophobicContact CG-CE2 3.53Å; F316-F324 AromaticContact CG-CZ 3.98Å; F316-F324 HydrophobicContact CG-CZ 3.98Å; F316-F324 HydrophobicContact CZ-CE2 4.39Å; F316-F324 AromaticContact CZ-CZ 3.94Å; F316-F324 HydrophobicContact CZ-CZ 3.94Å; F324-C326 HydrophobicContact CD1-CB 4.06Å; F324-C326 HydrophobicContact CE1-CB 3.58Å; F324-C326 HydrophobicContact CZ-CB 4.46Å; F324-Y338 WeakPolarHBondContact CD1-O 3.42Å; F324-Y338 WeakPolarHBondContact CE1-O 3.27Å; F324-P343 HydrophobicContact CD1-CG 3.92Å; F324-P343 HydrophobicContact CE1-CG 4.35Å; F324-T349 PolarHBondContact N-O 3.18Å; F324-T350 WeakPolarHBondContact O-CA 3.45Å; F324-V351 PolarHBondContact O-N 3.13Å; F324-Q376 HydrophobicContact CD2-CB 3.59Å; F324-Q376 HydrophobicContact CD2-CG 4.16Å; F324-Q376 HydrophobicContact CE2-CB 3.7Å; F324-Q376 HydrophobicContact CE2-CG 4.34Å; F324-Y378 HydrophobicContact CZ-CD1 4.45Å
325	G	98.3	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	69.8	-176.9	0	0	0	0	0	113.1	Q376 F377 Y378	G325-Q376 VanDerWaalsContact CA-O 3.3Å; G325-Q376 WeakPolarHBondContact CA-O 3.3Å; G325-Q376 PolarHBondContact N-O 3.2Å; G325-F377 WeakPolarHBondContact O-CA 3.37Å; G325-Y378 PolarHBondContact O-N 3.05Å
326	C	97.6	Very high	95.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.6	166.5	-177.9	0	0	0	0	110.3	F324 A328 Y338 V339 Y378	F324-C326 HydrophobicContact CD1-CB 4.06Å; F324-C326 HydrophobicContact CE1-CB 3.58Å; F324-C326 HydrophobicContact CZ-CB 4.46Å; C326-A328 VanDerWaalsContact C-N 3.32Å; C326-A328 PolarHBondContact O-N 3.18Å; C326-Y338 WeakPolarHBondContact CB-O 3.24Å; C326-V339 HydrophobicContact CB-CG2 3.75Å; C326-V339 WeakPolarHBondContact O-CG2 3.39Å; C326-Y378 WeakPolarHBondContact CA-O 3.37Å; C326-Y378 HydrophobicContact CB-CD1 4.22Å
327	V	93.6	Very high	95.2	Very high	21 Å²	21	26.5 Å²	26.5	13%	0.127	16%	0.162	C	C	.	.			trans	-95.8	20.4	-174.3	-62.1	0	0	0	0	113.1	F353 Y365 F377 Y378	V327-F353 HydrophobicContact CB-CB 4.21Å; V327-F353 HydrophobicContact CB-CD1 4.38Å; V327-F353 HydrophobicContact CB-CG 4.36Å; V327-F353 HydrophobicContact CG1-CB 4Å; V327-F353 HydrophobicContact CG1-CD2 4.49Å; V327-F353 HydrophobicContact CG1-CG 4.09Å; V327-Y365 HydrophobicContact CB-CE1 4.03Å; V327-Y365 HydrophobicContact CG1-CD1 4.34Å; V327-Y365 HydrophobicContact CG1-CE1 3.9Å; V327-Y365 HydrophobicContact CG2-CE1 4.11Å; V327-Y365 HydrophobicContact CG2-CE2 4.4Å; V327-F377 HydrophobicContact CG1-CD2 4.47Å; V327-F377 HydrophobicContact CG1-CE2 3.71Å; V327-F377 HydrophobicContact CG1-CZ 4.2Å; V327-F377 HydrophobicContact CG2-CE2 4.25Å; V327-F377 HydrophobicContact CG2-CZ 3.9Å; V327-Y378 PolarHBondContact N-O 3.36Å
328	A	88.1	Confident	95.4	Very high	24 Å²	24	22 Å²	22	20%	0.198	14%	0.138	C	C	.	.			trans	-79.4	151.4	176.8	0	0	0	0	0	111.7	C326 T334	C326-A328 VanDerWaalsContact C-N 3.32Å; C326-A328 PolarHBondContact O-N 3.18Å; A328-T334 HydrophobicContact CB-CG2 3.55Å
329	D	89	Confident	95.4	Very high	31 Å²	31	21 Å²	21	17%	0.166	14%	0.135	C	C	.	.			trans	-76.7	143.1	171.5	-174.2	-85.2	0	0	0	111	F189 G331 W332	F189-D329 HydrophobicContact CD2-CB 4.26Å; F189-D329 WeakPolarHBondContact CD2-OD1 3.48Å; F189-D329 HydrophobicContact CE2-CB 4.11Å; D329-G331 PolarHBondContact O-N 3.38Å; D329-G331 WeakPolarHBondContact OD1-CA 3.46Å; D329-G331 PolarHBondContact OD1-N 3.13Å; D329-W332 PolarHBondContact O-N 2.82Å
330	I	93.3	Very high	95.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.8	-178.9	58.3	168.3	0	0	0	114	V167 A171 M175 V187 W332 H336 V339 V340	V167-I330 HydrophobicContact CB-CG1 4.2Å; V167-I330 HydrophobicContact CB-CG2 4.29Å; V167-I330 HydrophobicContact CG2-CG2 3.79Å; A171-I330 HydrophobicContact CB-CD1 3.27Å; M175-I330 HydrophobicContact SD-CD1 4.47Å; V187-I330 HydrophobicContact CG1-CG1 4.32Å; I330-W332 PolarHBondContact O-N 2.79Å; I330-H336 PolarHBondContact O-CE1 3.34Å; I330-H336 PolarHBondContact O-ND1 3.37Å; I330-V339 HydrophobicContact CG2-CB 4.31Å; I330-V339 HydrophobicContact CG2-CG1 4.07Å; I330-V340 HydrophobicContact CG2-CG2 4.1Å
331	G	89.5	Confident	95.6	Very high	5 Å²	5	11.8 Å²	11.8	5%	0.052	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-5.1	169.5	0	0	0	0	0	114.1	D329	D329-G331 PolarHBondContact O-N 3.38Å; D329-G331 WeakPolarHBondContact OD1-CA 3.46Å; D329-G331 PolarHBondContact OD1-N 3.13Å
332	W	88	Confident	95.7	Very high	47 Å²	47	8.7 Å²	8.7	18%	0.178	5%	0.049	C	C	.	.	S	Bend	trans	-117	161.2	176	-53.3	97.9	0	0	0	111.1	F189 F192 D329 I330 T334 G335 H336 H551	F189-W332 HydrophobicContact CB-CZ2 3.86Å; F189-W332 AromaticContact CD1-CZ2 3.8Å; F189-W332 HydrophobicContact CD1-CZ2 3.8Å; F189-W332 AromaticContact CD2-NE1 3.52Å; F189-W332 HydrophobicContact CE1-CZ2 4.48Å; F189-W332 AromaticContact CE2-NE1 3.96Å; F189-W332 AromaticContact CG-CE2 3.97Å; F189-W332 AromaticContact CG-CZ2 3.81Å; F189-W332 HydrophobicContact CG-CZ2 3.81Å; F189-W332 AromaticContact CG-NE1 3.68Å; F192-W332 AromaticContact CZ-CH2 3.9Å; F192-W332 HydrophobicContact CZ-CH2 3.9Å; F192-W332 HydrophobicContact CZ-CZ2 4.37Å; D329-W332 PolarHBondContact O-N 2.82Å; I330-W332 PolarHBondContact O-N 2.79Å; W332-T334 PolarHBondContact O-N 3.44Å; W332-G335 PolarHBondContact O-N 3.02Å; W332-H336 PolarHBondContact O-N 2.97Å; W332-H336 VanDerWaalsContact O-N 3.15Å; W332-H336 PolarHBondContact O-ND1 2.84Å; W332-H551 AromaticContact CE2-CE1 3.73Å; W332-H551 AromaticContact CE2-ND1 3.28Å; W332-H551 VanDerWaalsContact CE2-ND1 3.28Å; W332-H551 HydrophobicContact CH2-CB 4.23Å; W332-H551 AromaticContact CH2-ND1 3.53Å; W332-H551 HydrophobicContact CZ2-CB 4.44Å; W332-H551 AromaticContact CZ2-CE1 3.55Å; W332-H551 AromaticContact CZ2-CG 3.96Å; W332-H551 AromaticContact CZ2-ND1 2.89Å; W332-H551 WeakPolarHBondContact CZ2-ND1 3.34Å; W332-H551 AromaticContact NE1-CE1 3.65Å; W332-H551 AromaticContact NE1-ND1 3.68Å
333	I	94.9	Very high	95.8	Very high	11 Å²	11	8.3 Å²	8.3	6%	0.056	5%	0.048	C	C	.	.	H	α-helix	trans	-61.6	-33.8	-177	-167.3	71.5	0	0	0	111.5	F283 L285 Y304 G335 H336 S337 W437 T439	F283-I333 HydrophobicContact CE2-CD1 3.89Å; F283-I333 HydrophobicContact CZ-CD1 3.73Å; L285-I333 HydrophobicContact CD2-CB 3.68Å; L285-I333 HydrophobicContact CD2-CD1 4.23Å; Y304-I333 HydrophobicContact CE2-CD1 4.36Å; I333-G335 VanDerWaalsContact C-N 3.28Å; I333-G335 PolarHBondContact O-N 2.99Å; I333-H336 HydrophobicContact CD1-CB 4.26Å; I333-H336 CarbonylContact O-C 3.46Å; I333-H336 WeakPolarHBondContact O-CA 3.4Å; I333-H336 WeakPolarHBondContact O-CB 3.45Å; I333-H336 PolarHBondContact O-N 2.86Å; I333-S337 PolarHBondContact O-N 3.33Å; I333-S337 PolarHBondContact O-OG 3.32Å; I333-W437 HydrophobicContact CB-CH2 4.24Å; I333-W437 HydrophobicContact CB-CZ3 4.13Å; I333-W437 HydrophobicContact CG1-CH2 3.95Å; I333-W437 HydrophobicContact CG1-CZ3 3.5Å; I333-W437 VanDerWaalsContact CG1-CZ3 3.5Å; I333-W437 HydrophobicContact CG2-CE3 4.31Å; I333-W437 HydrophobicContact CG2-CH2 3.69Å; I333-W437 HydrophobicContact CG2-CZ2 4.42Å; I333-W437 HydrophobicContact CG2-CZ3 3.64Å; I333-T439 HydrophobicContact CB-CG2 4.41Å
334	T	95.3	Very high	95.8	Very high	17 Å²	17	7.5 Å²	7.5	10%	0.104	4%	0.042	C	C	.	.	H	α-helix	trans	-56.9	-42.5	174.9	-51.5	0	0	0	0	111.7	A328 W332 Y338 V339 Y378 V409 W437	A328-T334 HydrophobicContact CB-CG2 3.55Å; W332-T334 PolarHBondContact O-N 3.44Å; T334-Y338 HydrophobicContact CG2-CD2 4.49Å; T334-Y338 WeakPolarHBondContact O-CA 3.36Å; T334-Y338 WeakPolarHBondContact O-CB 3.48Å; T334-Y338 PolarHBondContact O-N 3.37Å; T334-V339 PolarHBondContact O-N 3.46Å; T334-Y378 HydrophobicContact CG2-CD1 4.28Å; T334-Y378 HydrophobicContact CG2-CE1 3.86Å; T334-V409 HydrophobicContact CG2-CG1 4.01Å; T334-V409 HydrophobicContact CG2-CG2 4.37Å; T334-W437 HydrophobicContact CG2-CZ2 4.17Å; T334-W437 WeakPolarHBondContact OG1-CZ2 3.49Å
335	G	96.2	Very high	95.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-69.9	-34.6	174.6	0	0	0	0	0	113	W332 I333 V339 V340	W332-G335 PolarHBondContact O-N 3.02Å; I333-G335 VanDerWaalsContact C-N 3.28Å; I333-G335 PolarHBondContact O-N 2.99Å; G335-V339 WeakPolarHBondContact O-CA 3.43Å; G335-V339 WeakPolarHBondContact O-CB 3.46Å; G335-V339 PolarHBondContact O-N 2.98Å; G335-V339 VanDerWaalsContact O-N 3.08Å; G335-V340 PolarHBondContact O-N 3.01Å
336	H	98.4	Very high	95.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-62.7	-57.3	172.9	-71.2	62.5	0	0	0	111.5	M175 H185 F283 L285 Y304 I330 W332 I333 Y341	M175-H336 HydrophobicContact CE-CB 4.49Å; H185-H336 AromaticContact CE1-CD2 3.83Å; H185-H336 AromaticContact CE1-NE2 3.61Å; F283-H336 AromaticContact CD2-CD2 3.77Å; F283-H336 AromaticContact CE2-CD2 3.8Å; L285-H336 VanDerWaalsContact CD1-CE1 3.49Å; L285-H336 WeakPolarHBondContact CD1-CE1 3.48Å; Y304-H336 WeakPolarHBondContact OH-CB 3.17Å; I330-H336 PolarHBondContact O-CE1 3.34Å; I330-H336 PolarHBondContact O-ND1 3.37Å; W332-H336 PolarHBondContact O-N 2.97Å; W332-H336 VanDerWaalsContact O-N 3.15Å; W332-H336 PolarHBondContact O-ND1 2.84Å; I333-H336 HydrophobicContact CD1-CB 4.26Å; I333-H336 CarbonylContact O-C 3.46Å; I333-H336 WeakPolarHBondContact O-CA 3.4Å; I333-H336 WeakPolarHBondContact O-CB 3.45Å; I333-H336 PolarHBondContact O-N 2.86Å; H336-Y341 HydrophobicContact CB-CD2 4.24Å; H336-Y341 HydrophobicContact CB-CE2 4.49Å; H336-Y341 WeakPolarHBondContact O-CB 3.25Å; H336-Y341 VanDerWaalsContact O-CD2 3.25Å; H336-Y341 WeakPolarHBondContact O-CD2 3.36Å; H336-Y341 PolarHBondContact O-N 2.77Å
337	S	98.8	Very high	95.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-75.4	-38.5	-172	-52.4	0	0	0	0	112.5	Y304 I333 G342 P343 G442	Y304-S337 WeakPolarHBondContact OH-CA 3.49Å; Y304-S337 PolarHBondContact OH-N 2.77Å; Y304-S337 PolarHBondContact OH-OG 2.99Å; I333-S337 PolarHBondContact O-N 3.33Å; I333-S337 PolarHBondContact O-OG 3.32Å; S337-G342 VanDerWaalsContact O-CA 3.24Å; S337-G342 WeakPolarHBondContact O-CA 3.41Å; S337-G342 PolarHBondContact O-N 3.36Å; S337-P343 WeakPolarHBondContact O-CD 3.41Å; S337-G442 PolarHBondContact OG-O 3.39Å
338	Y	98.6	Very high	96	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-119.8	-7.5	-168.2	-57.7	-61.9	0	0	0	115.1	T311 H312 F316 F324 C326 T334 P343 Y378 W437 G443 I444	T311-Y338 WeakPolarHBondContact CB-OH 3.42Å; T311-Y338 PolarHBondContact OG1-OH 2.88Å; H312-Y338 HydrophobicContact CB-CD1 4Å; H312-Y338 HydrophobicContact CB-CE1 3.99Å; F316-Y338 HydrophobicContact CE2-CD1 4.25Å; F316-Y338 HydrophobicContact CE2-CE1 4.43Å; F324-Y338 WeakPolarHBondContact CD1-O 3.42Å; F324-Y338 WeakPolarHBondContact CE1-O 3.27Å; C326-Y338 WeakPolarHBondContact CB-O 3.24Å; T334-Y338 HydrophobicContact CG2-CD2 4.49Å; T334-Y338 WeakPolarHBondContact O-CA 3.36Å; T334-Y338 WeakPolarHBondContact O-CB 3.48Å; T334-Y338 PolarHBondContact O-N 3.37Å; Y338-P343 WeakPolarHBondContact O-CG 3.46Å; Y338-Y378 AromaticContact CD2-CE1 3.78Å; Y338-Y378 HydrophobicContact CD2-CE1 3.78Å; Y338-Y378 HydrophobicContact CG-CE1 4.04Å; Y338-W437 AromaticContact CD2-CH2 3.69Å; Y338-W437 HydrophobicContact CD2-CH2 3.69Å; Y338-W437 AromaticContact CD2-CZ2 3.43Å; Y338-W437 HydrophobicContact CD2-CZ2 3.43Å; Y338-W437 VanDerWaalsContact CD2-CZ2 3.43Å; Y338-W437 HydrophobicContact CE2-CD2 4.32Å; Y338-W437 AromaticContact CE2-CE2 3.65Å; Y338-W437 AromaticContact CE2-CH2 3.44Å; Y338-W437 HydrophobicContact CE2-CH2 3.44Å; Y338-W437 VanDerWaalsContact CE2-CH2 3.44Å; Y338-W437 AromaticContact CE2-CZ2 3.24Å; Y338-W437 HydrophobicContact CE2-CZ2 3.24Å; Y338-W437 HydrophobicContact CE2-CZ3 4.09Å; Y338-G443 VanDerWaalsContact OH-CA 3.27Å; Y338-G443 WeakPolarHBondContact OH-CA 3.22Å; Y338-I444 HydrophobicContact CE1-CD1 3.94Å; Y338-I444 HydrophobicContact CE2-CD1 3.81Å; Y338-I444 HydrophobicContact CE2-CG1 3.74Å; Y338-I444 VanDerWaalsContact CZ-CD1 3.45Å; Y338-I444 WeakPolarHBondContact OH-CD1 3.49Å; Y338-I444 VanDerWaalsContact OH-CG1 3.25Å; Y338-I444 WeakPolarHBondContact OH-CG1 3.4Å; Y338-I444 PolarHBondContact OH-N 2.81Å
339	V	98.5	Very high	96.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-95.5	-37.6	162.9	178	0	0	0	0	110.6	V167 C326 I330 T334 G335 T350 L352	V167-V339 HydrophobicContact CG2-CG1 4.48Å; C326-V339 HydrophobicContact CB-CG2 3.75Å; C326-V339 WeakPolarHBondContact O-CG2 3.39Å; I330-V339 HydrophobicContact CG2-CB 4.31Å; I330-V339 HydrophobicContact CG2-CG1 4.07Å; T334-V339 PolarHBondContact O-N 3.46Å; G335-V339 WeakPolarHBondContact O-CA 3.43Å; G335-V339 WeakPolarHBondContact O-CB 3.46Å; G335-V339 PolarHBondContact O-N 2.98Å; G335-V339 VanDerWaalsContact O-N 3.08Å; V339-T350 WeakPolarHBondContact O-CG2 3.1Å; V339-T350 PolarHBondContact O-OG1 2.97Å; V339-L352 HydrophobicContact CG1-CD2 3.29Å
340	V	98.8	Very high	97	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-109.5	-77.5	-172.3	-176.4	0	0	0	0	113.2	V172 M175 I330 G335 L344	V172-V340 HydrophobicContact CG1-CG1 4.06Å; V172-V340 HydrophobicContact CG1-CG2 4.39Å; V172-V340 HydrophobicContact CG2-CG2 3.89Å; M175-V340 HydrophobicContact CE-CB 4.2Å; M175-V340 HydrophobicContact CE-CG1 4.22Å; M175-V340 HydrophobicContact CE-CG2 4.1Å; M175-V340 HydrophobicContact SD-CG2 4.03Å; I330-V340 HydrophobicContact CG2-CG2 4.1Å; G335-V340 PolarHBondContact O-N 3.01Å; V340-L344 HydrophobicContact CG1-CD1 3.99Å; V340-L344 WeakPolarHBondContact O-CB 3.35Å; V340-L344 WeakPolarHBondContact O-CG 3.4Å; V340-L344 PolarHBondContact O-N 3.45Å
341	Y	98.9	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-69.8	-50.2	-160.2	-72.4	-66	0	0	0	114.1	V103 M175 L176 H185 L282 F283 Y304 L305 H336 C345	V103-Y341 HydrophobicContact CG1-CD1 3.66Å; V103-Y341 HydrophobicContact CG1-CE1 3.45Å; V103-Y341 VanDerWaalsContact CG1-CE1 3.45Å; M175-Y341 HydrophobicContact CE-CD2 4.38Å; M175-Y341 HydrophobicContact CE-CE2 3.71Å; L176-Y341 HydrophobicContact CD2-CE1 4.16Å; H185-Y341 AromaticContact NE2-CZ 3.86Å; H185-Y341 PolarHBondContact NE2-OH 2.72Å; L282-Y341 HydrophobicContact CD2-CE1 4.28Å; L282-Y341 HydrophobicContact CD2-CE2 4.47Å; F283-Y341 HydrophobicContact CD1-CE2 4.35Å; F283-Y341 HydrophobicContact CE1-CE2 4.46Å; Y304-Y341 AromaticContact CE1-CD2 3.52Å; Y304-Y341 HydrophobicContact CE1-CD2 3.52Å; Y304-Y341 HydrophobicContact CE1-CE2 4.12Å; Y304-Y341 AromaticContact CE1-CG 3.73Å; Y304-Y341 HydrophobicContact CE1-CG 3.73Å; Y304-Y341 AromaticContact CZ-CD2 3.87Å; Y304-Y341 VanDerWaalsContact OH-CD2 3.3Å; Y304-Y341 WeakPolarHBondContact OH-CD2 3.45Å; L305-Y341 HydrophobicContact CD1-CD1 4.34Å; H336-Y341 HydrophobicContact CB-CD2 4.24Å; H336-Y341 HydrophobicContact CB-CE2 4.49Å; H336-Y341 WeakPolarHBondContact O-CB 3.25Å; H336-Y341 VanDerWaalsContact O-CD2 3.25Å; H336-Y341 WeakPolarHBondContact O-CD2 3.36Å; H336-Y341 PolarHBondContact O-N 2.77Å; Y341-C345 WeakPolarHBondContact O-CB 3.43Å; Y341-C345 PolarHBondContact O-N 3.36Å
342	G	98.7	Very high	97.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.5	-53.9	179.9	0	0	0	0	0	112.9	S337 N346	S337-G342 VanDerWaalsContact O-CA 3.24Å; S337-G342 WeakPolarHBondContact O-CA 3.41Å; S337-G342 PolarHBondContact O-N 3.36Å; G342-N346 PolarHBondContact O-N 3.29Å; G342-N346 PolarHBondContact O-ND2 3.31Å
343	P	98.7	Very high	98.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.2	-48.3	177.2	-23.4	30.9	0	0	0	113.2	F324 S337 Y338 C345 N346 G347 A348 T350	F324-P343 HydrophobicContact CD1-CG 3.92Å; F324-P343 HydrophobicContact CE1-CG 4.35Å; S337-P343 WeakPolarHBondContact O-CD 3.41Å; Y338-P343 WeakPolarHBondContact O-CG 3.46Å; P343-C345 PolarHBondContact O-N 3.32Å; P343-N346 CarbonylContact O-C 3.54Å; P343-N346 PolarHBondContact O-N 3.06Å; P343-N346 VanDerWaalsContact O-N 3.11Å; P343-G347 PolarHBondContact O-N 3.13Å; P343-G347 VanDerWaalsContact O-N 3.14Å; P343-A348 HydrophobicContact CB-CB 3.96Å; P343-A348 VanDerWaalsContact O-CB 3.29Å; P343-A348 WeakPolarHBondContact O-CB 3.47Å; P343-A348 PolarHBondContact O-N 2.69Å; P343-T350 HydrophobicContact CB-CG2 4.44Å
344	L	98.8	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.9	-34.8	-177.9	-65	178.3	0	0	0	112.3	C107 H111 A120 L121 Y136 L139 V172 L176 V340 N346 G347 T350	C107-L344 HydrophobicContact CB-CB 3.88Å; H111-L344 PolarHBondContact CD2-O 2.94Å; H111-L344 PolarHBondContact NE2-O 3.34Å; A120-L344 HydrophobicContact CB-CD2 4.08Å; L121-L344 HydrophobicContact CD2-CD2 4.21Å; Y136-L344 HydrophobicContact CE1-CD2 4.05Å; L139-L344 HydrophobicContact CD2-CD1 4.2Å; L139-L344 HydrophobicContact CD2-CD2 4.36Å; V172-L344 HydrophobicContact CG1-CD1 4.05Å; L176-L344 HydrophobicContact CD1-CD1 3.91Å; V340-L344 HydrophobicContact CG1-CD1 3.99Å; V340-L344 WeakPolarHBondContact O-CB 3.35Å; V340-L344 WeakPolarHBondContact O-CG 3.4Å; V340-L344 PolarHBondContact O-N 3.45Å; L344-N346 PolarHBondContact O-N 3.39Å; L344-G347 PolarHBondContact O-N 3.49Å; L344-G347 VanDerWaalsContact O-N 3.11Å; L344-T350 HydrophobicContact CD2-CG2 4.22Å
345	C	98.7	Very high	98	Very high	7 Å²	7	4.5 Å²	4.5	5%	0.047	3%	0.028	C	C	.	.	H	α-helix	trans	-60.4	-37.7	171.8	-168.9	0	0	0	0	111.4	H111 L305 A309 Y341 P343 G347	H111-C345 PolarHBondContact CE1-O 2.99Å; H111-C345 PolarHBondContact NE2-O 2.95Å; L305-C345 HydrophobicContact CD1-CB 3.82Å; L305-C345 HydrophobicContact CG-CB 4.38Å; A309-C345 HydrophobicContact CB-CB 3.93Å; Y341-C345 WeakPolarHBondContact O-CB 3.43Å; Y341-C345 PolarHBondContact O-N 3.36Å; P343-C345 PolarHBondContact O-N 3.32Å; C345-G347 VanDerWaalsContact C-N 3.27Å; C345-G347 PolarHBondContact O-N 3.33Å
346	N	98.5	Very high	97.6	Very high	33 Å²	33	5.5 Å²	5.5	18%	0.176	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1	176.9	-73.7	-54.6	0	0	0	114.3	A309 H312 Y318 G342 P343 L344 A348	A309-N346 PolarHBondContact O-ND2 2.87Å; H312-N346 PolarHBondContact ND1-ND2 3.03Å; Y318-N346 HydrophobicContact CD1-CB 4.31Å; Y318-N346 HydrophobicContact CE1-CB 4.32Å; G342-N346 PolarHBondContact O-N 3.29Å; G342-N346 PolarHBondContact O-ND2 3.31Å; P343-N346 CarbonylContact O-C 3.54Å; P343-N346 PolarHBondContact O-N 3.06Å; P343-N346 VanDerWaalsContact O-N 3.11Å; L344-N346 PolarHBondContact O-N 3.39Å; N346-A348 VanDerWaalsContact C-N 3.29Å; N346-A348 PolarHBondContact O-N 2.71Å
347	G	98.2	Very high	97	Very high	16 Å²	16	6.2 Å²	6.2	17%	0.165	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	19.5	-178.4	0	0	0	0	0	113.5	H111 Y136 P343 L344 C345	H111-G347 VanDerWaalsContact CE1-CA 3.44Å; H111-G347 WeakPolarHBondContact CE1-CA 3.43Å; H111-G347 PolarHBondContact CE1-N 3.1Å; H111-G347 WeakPolarHBondContact NE2-CA 3.43Å; H111-G347 PolarHBondContact NE2-N 3.37Å; Y136-G347 VanDerWaalsContact OH-CA 3.23Å; Y136-G347 WeakPolarHBondContact OH-CA 3.25Å; Y136-G347 PolarHBondContact OH-O 3Å; P343-G347 PolarHBondContact O-N 3.13Å; P343-G347 VanDerWaalsContact O-N 3.14Å; L344-G347 PolarHBondContact O-N 3.49Å; L344-G347 VanDerWaalsContact O-N 3.11Å; C345-G347 VanDerWaalsContact C-N 3.27Å; C345-G347 PolarHBondContact O-N 3.33Å
348	A	98.5	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.			trans	-75.8	158.6	-176.2	0	0	0	0	0	113.5	Y136 Y318 P343 N346	Y136-A348 PolarHBondContact OH-N 2.96Å; Y136-A348 PolarHBondContact OH-O 3.07Å; Y318-A348 HydrophobicContact CD2-CB 4.11Å; Y318-A348 HydrophobicContact CE1-CB 4.21Å; Y318-A348 HydrophobicContact CE2-CB 3.34Å; Y318-A348 VanDerWaalsContact CZ-CB 3.45Å; Y318-A348 VanDerWaalsContact OH-CA 3.28Å; Y318-A348 WeakPolarHBondContact OH-CA 3.39Å; P343-A348 HydrophobicContact CB-CB 3.96Å; P343-A348 VanDerWaalsContact O-CB 3.29Å; P343-A348 WeakPolarHBondContact O-CB 3.47Å; P343-A348 PolarHBondContact O-N 2.69Å; N346-A348 VanDerWaalsContact C-N 3.29Å; N346-A348 PolarHBondContact O-N 2.71Å
349	T	98.8	Very high	96.1	Very high	15 Å²	15	11 Å²	11	9%	0.092	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121	161	-59.1	0	0	0	0	108.4	I119 A120 I122 V323 F324	I119-T349 HydrophobicContact CB-CG2 4.19Å; I119-T349 HydrophobicContact CG2-CG2 3.89Å; I119-T349 WeakPolarHBondContact O-CB 3.44Å; I119-T349 PolarHBondContact O-OG1 3.19Å; A120-T349 WeakPolarHBondContact O-CA 3.44Å; I122-T349 HydrophobicContact CD1-CG2 3.66Å; I122-T349 HydrophobicContact CG1-CG2 3.71Å; V323-T349 HydrophobicContact CG1-CG2 4.48Å; V323-T349 HydrophobicContact CG2-CG2 4.23Å; F324-T349 PolarHBondContact N-O 3.18Å
350	T	98.8	Very high	95.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.5	-178.4	-177.3	0	0	0	0	111.5	A120 L121 I122 F324 V339 P343 L344	A120-T350 PolarHBondContact O-N 2.99Å; L121-T350 WeakPolarHBondContact CA-O 3.25Å; L121-T350 HydrophobicContact CD2-CG2 3.51Å; I122-T350 PolarHBondContact N-O 2.81Å; F324-T350 WeakPolarHBondContact O-CA 3.45Å; V339-T350 WeakPolarHBondContact O-CG2 3.1Å; V339-T350 PolarHBondContact O-OG1 2.97Å; P343-T350 HydrophobicContact CB-CG2 4.44Å; L344-T350 HydrophobicContact CD2-CG2 4.22Å
351	V	98.7	Very high	95.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.6	-179.5	-178.3	0	0	0	0	110.3	I122 E124 V323 F324 L372 I374	I122-V351 HydrophobicContact CB-CG2 4.46Å; I122-V351 CarbonylContact O-C 3.51Å; I122-V351 WeakPolarHBondContact O-CA 3.45Å; E124-V351 HydrophobicContact CB-CG1 4.18Å; V323-V351 HydrophobicContact CG1-CG2 3.57Å; F324-V351 PolarHBondContact O-N 3.13Å; V351-L372 HydrophobicContact CG1-CD1 4.18Å; V351-L372 HydrophobicContact CG2-CD1 4.26Å; V351-I374 HydrophobicContact CG2-CD1 4.22Å; V351-I374 HydrophobicContact CG2-CG1 4.29Å
352	L	98.5	Very high	95.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.5	170.2	-55.5	-172.1	0	0	0	108.2	L121 I122 W123 E124 V167 S168 P169 V172 V339	L121-L352 HydrophobicContact CB-CD1 4.28Å; L121-L352 HydrophobicContact CB-CG 4.47Å; L121-L352 HydrophobicContact CD1-CD1 4.05Å; L121-L352 HydrophobicContact CD2-CD1 4.32Å; L121-L352 HydrophobicContact CD2-CD2 4.34Å; L121-L352 HydrophobicContact CD2-CG 4.37Å; L121-L352 HydrophobicContact CG-CD1 4.45Å; I122-L352 PolarHBondContact O-N 3.24Å; W123-L352 HydrophobicContact CB-CB 4.41Å; W123-L352 HydrophobicContact CG-CB 4.49Å; E124-L352 PolarHBondContact N-O 2.97Å; V167-L352 HydrophobicContact CG2-CB 3.89Å; V167-L352 HydrophobicContact CG2-CD2 3.94Å; V167-L352 HydrophobicContact CG2-CG 4.4Å; S168-L352 VanDerWaalsContact C-CD1 3.49Å; P169-L352 HydrophobicContact CG-CD1 4.14Å; V172-L352 HydrophobicContact CG2-CD1 3.87Å; V172-L352 HydrophobicContact CG2-CD2 3.96Å; V339-L352 HydrophobicContact CG1-CD2 3.29Å
353	F	96.5	Very high	95.2	Very high	12 Å²	12	17.5 Å²	17.5	5%	0.053	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.6	-176.2	-173.6	-93.1	0	0	0	111.9	E124 V167 V327 S355 R364 Y365	E124-F353 HydrophobicContact CB-CD2 4.23Å; E124-F353 HydrophobicContact CG-CD2 3.88Å; E124-F353 HydrophobicContact CG-CE2 4.17Å; V167-F353 WeakPolarHBondContact CG1-O 3.43Å; V327-F353 HydrophobicContact CB-CB 4.21Å; V327-F353 HydrophobicContact CB-CD1 4.38Å; V327-F353 HydrophobicContact CB-CG 4.36Å; V327-F353 HydrophobicContact CG1-CB 4Å; V327-F353 HydrophobicContact CG1-CD2 4.49Å; V327-F353 HydrophobicContact CG1-CG 4.09Å; F353-S355 WeakPolarHBondContact CE1-O 3.31Å; F353-R364 HydrophobicContact CE2-CG 4.15Å; F353-R364 HydrophobicContact CZ-CG 3.83Å; F353-Y365 AromaticContact CD1-CE1 3.91Å; F353-Y365 HydrophobicContact CD1-CE1 3.91Å; F353-Y365 HydrophobicContact CD2-CE1 4.42Å; F353-Y365 HydrophobicContact CE1-CD1 4.16Å; F353-Y365 AromaticContact CE1-CE1 3.43Å; F353-Y365 HydrophobicContact CE1-CE1 3.43Å; F353-Y365 VanDerWaalsContact CE1-CE1 3.43Å; F353-Y365 AromaticContact CE2-CD1 3.92Å; F353-Y365 HydrophobicContact CE2-CD1 3.92Å; F353-Y365 AromaticContact CE2-CE1 4Å; F353-Y365 HydrophobicContact CE2-CE1 4Å; F353-Y365 HydrophobicContact CG-CE1 4.38Å; F353-Y365 AromaticContact CZ-CD1 3.71Å; F353-Y365 HydrophobicContact CZ-CD1 3.71Å; F353-Y365 AromaticContact CZ-CE1 3.48Å; F353-Y365 HydrophobicContact CZ-CE1 3.48Å; F353-Y365 VanDerWaalsContact CZ-CE1 3.48Å
354	E	95	Very high	95	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.028	10%	0.103	C	C	.	.			trans	-77.3	-25.3	-175.8	-177.8	177.6	-122.8	0	0	113.5	W123 E124 R125 D126 L216 R246	W123-E354 WeakPolarHBondContact CZ2-OE1 3.44Å; E124-E354 WeakPolarHBondContact O-CB 2.89Å; E124-E354 PolarHBondContact O-N 3.04Å; R125-E354 WeakPolarHBondContact CA-OE2 3.44Å; D126-E354 PolarHBondContact N-OE2 3.22Å; L216-E354 VanDerWaalsContact O-CG 3.29Å; L216-E354 WeakPolarHBondContact O-CG 3.28Å; R246-E354 IonicContact CZ-OE1 3.72Å; R246-E354 IonicContact CZ-OE2 2.88Å; R246-E354 IonicContact NE-OE1 2.76Å; R246-E354 PolarHBondContact NE-OE1 2.61Å; R246-E354 IonicContact NE-OE2 2.66Å; R246-E354 IonicContact NH2-OE1 3.19Å; R246-E354 PolarHBondContact NH2-OE1 2.75Å; R246-E354 IonicContact NH2-OE2 2.83Å; R246-E354 PolarHBondContact NH2-OE2 2.76Å
355	S	93.5	Very high	94.9	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.028	11%	0.106	C	C	.	.	S	Bend	trans	-87.8	-155.6	-164.5	-158.8	0	0	0	0	114.5	D126 F353	D126-S355 PolarHBondContact O-OG 2.86Å; D126-S355 WeakPolarHBondContact OD1-CA 3.4Å; D126-S355 VanDerWaalsContact OD1-CB 3.24Å; D126-S355 WeakPolarHBondContact OD1-CB 3.42Å; D126-S355 PolarHBondContact OD1-OG 3.42Å; F353-S355 WeakPolarHBondContact CE1-O 3.31Å
356	T	88	Confident	94.9	Very high	22 Å²	22	18.2 Å²	18.2	14%	0.135	10%	0.104	C	C	.	.			trans	-120.2	158	171.8	75.5	0	0	0	0	110	R217 V358 Y359	R217-T356 HydrophobicContact CG-CG2 3.79Å; T356-V358 PolarHBondContact O-N 2.88Å; T356-V358 PolarHBondContact OG1-N 3.36Å; T356-Y359 PolarHBondContact O-N 3.13Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.49Å; T356-Y359 PolarHBondContact OG1-N 2.91Å
357	P	86.2	Confident	94.8	Very high	15 Å²	15	18.3 Å²	18.3	10%	0.097	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.8	176.7	20.1	-33.5	0	0	0	115.1	R364 Y365 A383 L386 L387	P357-R364 WeakPolarHBondContact O-CB 3.26Å; P357-Y365 HydrophobicContact CB-CD2 4.04Å; P357-Y365 HydrophobicContact CB-CE1 4.38Å; P357-Y365 HydrophobicContact CB-CE2 3.55Å; P357-Y365 HydrophobicContact CG-CE2 4.46Å; P357-A383 HydrophobicContact CG-CB 4.45Å; P357-L386 HydrophobicContact CG-CD2 3.97Å; P357-L387 HydrophobicContact CB-CD1 4.14Å; P357-L387 HydrophobicContact CB-CD2 4.16Å; P357-L387 HydrophobicContact CB-CG 4.24Å
358	V	87.8	Confident	94.8	Very high	44 Å²	44	17.7 Å²	17.7	27%	0.267	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	8.9	-169.8	-62.4	0	0	0	0	113.9	T356 P360 D361 L386 L387 Y390	T356-V358 PolarHBondContact O-N 2.88Å; T356-V358 PolarHBondContact OG1-N 3.36Å; V358-P360 CarbonylContact O-C 3.36Å; V358-D361 CarbonylContact C-O 3.56Å; V358-D361 VanDerWaalsContact CA-O 3.27Å; V358-D361 WeakPolarHBondContact CA-O 3.14Å; V358-D361 CarbonylContact O-C 3.57Å; V358-D361 VanDerWaalsContact O-CA 3.28Å; V358-D361 WeakPolarHBondContact O-CA 3.41Å; V358-D361 PolarHBondContact O-N 2.9Å; V358-D361 VanDerWaalsContact O-N 3.13Å; V358-L386 HydrophobicContact CG1-CD2 3.82Å; V358-L386 HydrophobicContact CG1-CG 4.21Å; V358-L387 HydrophobicContact CG1-CD2 4.29Å; V358-Y390 HydrophobicContact CG1-CE2 3.82Å
359	Y	89.7	Confident	94.8	Very high	57 Å²	57	17.7 Å²	17.7	22%	0.224	10%	0.096	C	C	.	.	S	Bend	trans	-110.7	125.2	177.2	-178.9	-99.6	0	0	0	110.8	E127 G218 T356 D361 R364	E127-Y359 PolarHBondContact OE1-OH 3.36Å; G218-Y359 VanDerWaalsContact C-CD2 3.46Å; T356-Y359 PolarHBondContact O-N 3.13Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.49Å; T356-Y359 PolarHBondContact OG1-N 2.91Å; Y359-D361 VanDerWaalsContact C-N 3.32Å; Y359-R364 WeakPolarHBondContact O-CB 3.46Å; Y359-R364 WeakPolarHBondContact O-CD 3.38Å; Y359-R364 WeakPolarHBondContact O-CG 3.42Å; Y359-R364 PolarHBondContact O-NE 3.47Å
360	P	94.3	Very high	94.8	Very high	77 Å²	77	20.3 Å²	20.3	50%	0.5	11%	0.107	S	C	.	.	S	Bend	cis	-76.9	-13	-0.5	32.5	-37	0	0	0	113.9	P128 V358	P128-P360 VanDerWaalsContact CG-CD 3.42Å; P128-P360 HydrophobicContact CG-CG 3.93Å; V358-P360 CarbonylContact O-C 3.36Å
361	D	94.8	Very high	94.7	Very high	53 Å²	53	23.2 Å²	23.2	28%	0.283	12%	0.119	S	C	.	.	S	Bend	trans	-150.6	175.7	178	64.7	50.2	0	0	0	112.4	V358 Y359 G363 R364 W394	V358-D361 CarbonylContact C-O 3.56Å; V358-D361 VanDerWaalsContact CA-O 3.27Å; V358-D361 WeakPolarHBondContact CA-O 3.14Å; V358-D361 CarbonylContact O-C 3.57Å; V358-D361 VanDerWaalsContact O-CA 3.28Å; V358-D361 WeakPolarHBondContact O-CA 3.41Å; V358-D361 PolarHBondContact O-N 2.9Å; V358-D361 VanDerWaalsContact O-N 3.13Å; Y359-D361 VanDerWaalsContact C-N 3.32Å; D361-G363 PolarHBondContact O-N 3.35Å; D361-G363 VanDerWaalsContact O-N 3.09Å; D361-G363 VanDerWaalsContact OD1-CA 3.28Å; D361-G363 WeakPolarHBondContact OD1-CA 3.28Å; D361-G363 PolarHBondContact OD1-N 3.48Å; D361-R364 WeakPolarHBondContact O-CB 3.48Å; D361-R364 PolarHBondContact O-N 3.18Å; D361-W394 HydrophobicContact CB-CE3 4.34Å; D361-W394 HydrophobicContact CB-CH2 3.85Å; D361-W394 HydrophobicContact CB-CZ3 3.56Å; D361-W394 WeakPolarHBondContact OD1-CZ3 3.25Å
362	A	91.5	Very high	94.7	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.041	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	0.6	-178.2	0	0	0	0	0	114.7	L387 Y390 W394	A362-L387 HydrophobicContact CB-CD2 4.22Å; A362-L387 WeakPolarHBondContact O-CD2 3.49Å; A362-Y390 HydrophobicContact CB-CD1 3.8Å; A362-Y390 HydrophobicContact CB-CD2 3.73Å; A362-Y390 HydrophobicContact CB-CE1 4.3Å; A362-Y390 HydrophobicContact CB-CE2 4.23Å; A362-Y390 HydrophobicContact CB-CG 3.49Å; A362-Y390 VanDerWaalsContact CB-CG 3.49Å; A362-W394 HydrophobicContact CB-CB 4.36Å; A362-W394 HydrophobicContact CB-CD2 3.97Å; A362-W394 HydrophobicContact CB-CE3 4.44Å; A362-W394 HydrophobicContact CB-CG 3.9Å
363	G	95.5	Very high	94.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.5	172.3	0	0	0	0	0	114.2	D361 Y365 W366 E367	D361-G363 PolarHBondContact O-N 3.35Å; D361-G363 VanDerWaalsContact O-N 3.09Å; D361-G363 VanDerWaalsContact OD1-CA 3.28Å; D361-G363 WeakPolarHBondContact OD1-CA 3.28Å; D361-G363 PolarHBondContact OD1-N 3.48Å; G363-Y365 PolarHBondContact O-N 2.81Å; G363-W366 PolarHBondContact O-N 3.16Å; G363-E367 PolarHBondContact O-N 3.06Å
364	R	95.2	Very high	94.8	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-52.9	-48.4	-165.3	-177.4	57.6	165.4	134.9	2.6	115.1	E124 R125 D126 F353 P357 Y359 D361 W366 E367 T368	E124-R364 IonicContact OE1-CZ 3.67Å; E124-R364 IonicContact OE1-NH1 2.98Å; E124-R364 PolarHBondContact OE1-NH1 3.32Å; E124-R364 IonicContact OE1-NH2 3.12Å; E124-R364 PolarHBondContact OE1-NH2 3.27Å; R125-R364 PolarHBondContact O-NH2 2.91Å; D126-R364 PolarHBondContact O-NH2 2.96Å; F353-R364 HydrophobicContact CE2-CG 4.15Å; F353-R364 HydrophobicContact CZ-CG 3.83Å; P357-R364 WeakPolarHBondContact O-CB 3.26Å; Y359-R364 WeakPolarHBondContact O-CB 3.46Å; Y359-R364 WeakPolarHBondContact O-CD 3.38Å; Y359-R364 WeakPolarHBondContact O-CG 3.42Å; Y359-R364 PolarHBondContact O-NE 3.47Å; D361-R364 WeakPolarHBondContact O-CB 3.48Å; D361-R364 PolarHBondContact O-N 3.18Å; R364-W366 VanDerWaalsContact C-N 3.31Å; R364-W366 PolarHBondContact O-N 2.85Å; R364-E367 IonicContact NH1-OE2 2.77Å; R364-E367 PolarHBondContact NH1-OE2 3.19Å; R364-T368 PolarHBondContact NH1-OG1 3.01Å; R364-T368 WeakPolarHBondContact O-CB 3.47Å; R364-T368 PolarHBondContact O-N 3.26Å; R364-T368 VanDerWaalsContact O-N 3.09Å; R364-T368 PolarHBondContact O-OG1 3.3Å
365	Y	96.7	Very high	95	Very high	16 Å²	16	28.7 Å²	28.7	6%	0.063	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-39.2	178.6	-75.5	-25.9	0	0	0	112.2	V327 F353 P357 G363 T368 V369 F377 A383 L387	V327-Y365 HydrophobicContact CB-CE1 4.03Å; V327-Y365 HydrophobicContact CG1-CD1 4.34Å; V327-Y365 HydrophobicContact CG1-CE1 3.9Å; V327-Y365 HydrophobicContact CG2-CE1 4.11Å; V327-Y365 HydrophobicContact CG2-CE2 4.4Å; F353-Y365 AromaticContact CD1-CE1 3.91Å; F353-Y365 HydrophobicContact CD1-CE1 3.91Å; F353-Y365 HydrophobicContact CD2-CE1 4.42Å; F353-Y365 HydrophobicContact CE1-CD1 4.16Å; F353-Y365 AromaticContact CE1-CE1 3.43Å; F353-Y365 HydrophobicContact CE1-CE1 3.43Å; F353-Y365 VanDerWaalsContact CE1-CE1 3.43Å; F353-Y365 AromaticContact CE2-CD1 3.92Å; F353-Y365 HydrophobicContact CE2-CD1 3.92Å; F353-Y365 AromaticContact CE2-CE1 4Å; F353-Y365 HydrophobicContact CE2-CE1 4Å; F353-Y365 HydrophobicContact CG-CE1 4.38Å; F353-Y365 AromaticContact CZ-CD1 3.71Å; F353-Y365 HydrophobicContact CZ-CD1 3.71Å; F353-Y365 AromaticContact CZ-CE1 3.48Å; F353-Y365 HydrophobicContact CZ-CE1 3.48Å; F353-Y365 VanDerWaalsContact CZ-CE1 3.48Å; P357-Y365 HydrophobicContact CB-CD2 4.04Å; P357-Y365 HydrophobicContact CB-CE1 4.38Å; P357-Y365 HydrophobicContact CB-CE2 3.55Å; P357-Y365 HydrophobicContact CG-CE2 4.46Å; G363-Y365 PolarHBondContact O-N 2.81Å; Y365-T368 WeakPolarHBondContact O-CB 3.41Å; Y365-T368 PolarHBondContact O-N 3.29Å; Y365-V369 WeakPolarHBondContact O-CG2 3.47Å; Y365-V369 PolarHBondContact O-N 3.29Å; Y365-F377 HydrophobicContact CD1-CE2 4.17Å; Y365-F377 HydrophobicContact CD1-CZ 4.25Å; Y365-F377 HydrophobicContact CD2-CE1 4.46Å; Y365-F377 HydrophobicContact CD2-CE2 4.15Å; Y365-F377 AromaticContact CD2-CZ 3.51Å; Y365-F377 HydrophobicContact CD2-CZ 3.51Å; Y365-F377 HydrophobicContact CE1-CZ 4.49Å; Y365-F377 AromaticContact CE2-CZ 3.8Å; Y365-F377 HydrophobicContact CE2-CZ 3.8Å; Y365-F377 AromaticContact CG-CE2 3.93Å; Y365-F377 HydrophobicContact CG-CE2 3.93Å; Y365-F377 AromaticContact CG-CZ 3.78Å; Y365-F377 HydrophobicContact CG-CZ 3.78Å; Y365-A383 HydrophobicContact CE2-CB 4.02Å; Y365-L387 HydrophobicContact CD2-CD1 3.5Å; Y365-L387 HydrophobicContact CE2-CD1 4.02Å; Y365-L387 HydrophobicContact CG-CD1 4.48Å
366	W	97.6	Very high	95.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-79.5	-33.3	-173.8	-42.3	123.1	0	0	0	112.2	G363 R364 T368 V369 Q370 F377 L387 V395 Y398 W420 V425	G363-W366 PolarHBondContact O-N 3.16Å; R364-W366 VanDerWaalsContact C-N 3.31Å; R364-W366 PolarHBondContact O-N 2.85Å; W366-T368 VanDerWaalsContact C-N 3.31Å; W366-V369 HydrophobicContact CE3-CG2 4.24Å; W366-V369 PolarHBondContact O-N 3.39Å; W366-Q370 PolarHBondContact O-N 2.85Å; W366-F377 HydrophobicContact CH2-CE1 4.34Å; W366-F377 HydrophobicContact CZ3-CE1 4.48Å; W366-L387 HydrophobicContact CZ2-CD1 3.93Å; W366-V395 HydrophobicContact CD2-CG1 4.09Å; W366-V395 HydrophobicContact CG-CB 4.41Å; W366-V395 HydrophobicContact CG-CG1 4.08Å; W366-Y398 HydrophobicContact CB-CD2 3.6Å; W366-Y398 HydrophobicContact CB-CE2 4.35Å; W366-Y398 HydrophobicContact CB-CG 4.12Å; W366-W420 AromaticContact CZ2-CH2 3.92Å; W366-W420 HydrophobicContact CZ2-CH2 3.92Å; W366-W420 HydrophobicContact CZ2-CZ3 4.22Å; W366-V425 HydrophobicContact CE3-CG1 3.96Å; W366-V425 HydrophobicContact CH2-CB 4.16Å; W366-V425 HydrophobicContact CH2-CG1 3.43Å; W366-V425 VanDerWaalsContact CH2-CG1 3.43Å; W366-V425 HydrophobicContact CH2-CG2 3.59Å; W366-V425 HydrophobicContact CZ2-CG1 4.22Å; W366-V425 HydrophobicContact CZ2-CG2 3.6Å; W366-V425 HydrophobicContact CZ3-CB 4.42Å; W366-V425 HydrophobicContact CZ3-CG1 3.29Å; W366-V425 HydrophobicContact CZ3-CG2 4.25Å
367	E	97.5	Very high	95.7	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.164	14%	0.137	C	C	.	.	H	α-helix	trans	-56.8	-47.7	164.7	-174	-78.1	141.2	0	0	110.7	G363 R364 V369 Q370 R371 Y398	G363-E367 PolarHBondContact O-N 3.06Å; R364-E367 IonicContact NH1-OE2 2.77Å; R364-E367 PolarHBondContact NH1-OE2 3.19Å; E367-V369 PolarHBondContact O-N 3.3Å; E367-Q370 PolarHBondContact O-N 2.92Å; E367-R371 WeakPolarHBondContact O-CB 3.49Å; E367-R371 PolarHBondContact O-N 3.16Å; E367-R371 IonicContact OE1-CZ 2.66Å; E367-R371 IonicContact OE1-NE 3.34Å; E367-R371 PolarHBondContact OE1-NE 3.25Å; E367-R371 IonicContact OE1-NH2 3.49Å; E367-R371 PolarHBondContact OE1-NH2 2.76Å; E367-R371 IonicContact OE2-CZ 3.5Å; E367-R371 IonicContact OE2-NE 2.71Å; E367-R371 IonicContact OE2-NH2 3.09Å; E367-R371 PolarHBondContact OE2-NH2 3.39Å; E367-Y398 HydrophobicContact CB-CD1 4.12Å; E367-Y398 HydrophobicContact CB-CE1 3.58Å; E367-Y398 HydrophobicContact CB-CE2 4.27Å; E367-Y398 HydrophobicContact CG-CE1 3.86Å
368	T	97.9	Very high	96.3	Very high	3 Å²	3	27 Å²	27	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-43.8	179.3	-55.9	0	0	0	0	111	E124 R364 Y365 W366 Q370 R371 L372 I374	E124-T368 HydrophobicContact CG-CG2 3.96Å; R364-T368 PolarHBondContact NH1-OG1 3.01Å; R364-T368 WeakPolarHBondContact O-CB 3.47Å; R364-T368 PolarHBondContact O-N 3.26Å; R364-T368 VanDerWaalsContact O-N 3.09Å; R364-T368 PolarHBondContact O-OG1 3.3Å; Y365-T368 WeakPolarHBondContact O-CB 3.41Å; Y365-T368 PolarHBondContact O-N 3.29Å; W366-T368 VanDerWaalsContact C-N 3.31Å; T368-Q370 PolarHBondContact O-N 3.45Å; T368-R371 PolarHBondContact O-N 2.65Å; T368-L372 HydrophobicContact CG2-CD1 3.58Å; T368-L372 HydrophobicContact CG2-CG 4.12Å; T368-L372 VanDerWaalsContact O-CB 3.27Å; T368-L372 WeakPolarHBondContact O-CB 3.37Å; T368-L372 WeakPolarHBondContact O-CG 3.37Å; T368-L372 PolarHBondContact O-N 3.35Å; T368-I374 HydrophobicContact CG2-CD1 4.06Å
369	V	98.5	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.3	-49.8	174.5	165.8	0	0	0	0	111	Y365 W366 E367 K373 I374 F377 R400 L403	Y365-V369 WeakPolarHBondContact O-CG2 3.47Å; Y365-V369 PolarHBondContact O-N 3.29Å; W366-V369 HydrophobicContact CE3-CG2 4.24Å; W366-V369 PolarHBondContact O-N 3.39Å; E367-V369 PolarHBondContact O-N 3.3Å; V369-K373 VanDerWaalsContact O-CA 3.24Å; V369-K373 WeakPolarHBondContact O-CA 3.43Å; V369-K373 PolarHBondContact O-N 3.11Å; V369-I374 HydrophobicContact CG2-CB 4.17Å; V369-I374 HydrophobicContact CG2-CD1 4.14Å; V369-I374 PolarHBondContact O-N 3.48Å; V369-F377 HydrophobicContact CG2-CD2 4.26Å; V369-R400 HydrophobicContact CG1-CG 4.49Å; V369-L403 HydrophobicContact CG1-CD1 3.85Å; V369-L403 HydrophobicContact CG1-CD2 3.99Å; V369-L403 HydrophobicContact CG1-CG 3.66Å; V369-L403 HydrophobicContact CG2-CD1 4.43Å; V369-L403 HydrophobicContact CG2-CD2 4.24Å
370	Q	98.4	Very high	96	Very high	69 Å²	69	23.9 Å²	23.9	32%	0.322	12%	0.123	S	C	.	.	H	α-helix	trans	-61.6	-49.1	-179.3	178.2	-178.7	-78.2	0	0	112	W366 E367 T368 K373 D399	W366-Q370 PolarHBondContact O-N 2.85Å; E367-Q370 PolarHBondContact O-N 2.92Å; T368-Q370 PolarHBondContact O-N 3.45Å; Q370-K373 WeakPolarHBondContact O-CD 3.25Å; Q370-K373 WeakPolarHBondContact O-CE 3.3Å; Q370-D399 WeakPolarHBondContact CA-O 3.25Å; Q370-D399 WeakPolarHBondContact CB-O 3.45Å; Q370-D399 HydrophobicContact CG-CB 4.07Å
371	R	97.8	Very high	95.4	Very high	62 Å²	62	20.2 Å²	20.2	23%	0.234	10%	0.099	C	C	.	.	H	α-helix	trans	-71.8	-42.4	-174.3	176.1	170.2	44.1	77.5	15	112.3	E124 E131 E367 T368	E124-R371 IonicContact OE1-CZ 3.81Å; E124-R371 IonicContact OE1-NH1 2.92Å; E124-R371 IonicContact OE1-NH2 3.53Å; E124-R371 PolarHBondContact OE1-NH2 3.43Å; E124-R371 IonicContact OE2-CZ 3.74Å; E124-R371 IonicContact OE2-NH1 3.84Å; E124-R371 PolarHBondContact OE2-NH1 3.01Å; E124-R371 IonicContact OE2-NH2 2.73Å; E124-R371 PolarHBondContact OE2-NH2 2.79Å; E131-R371 VanDerWaalsContact CD-NH1 3.25Å; E131-R371 IonicContact OE1-NH1 3.66Å; E131-R371 IonicContact OE2-CZ 3.71Å; E131-R371 IonicContact OE2-NH1 2.88Å; E131-R371 PolarHBondContact OE2-NH1 3.11Å; E367-R371 WeakPolarHBondContact O-CB 3.49Å; E367-R371 PolarHBondContact O-N 3.16Å; E367-R371 IonicContact OE1-CZ 2.66Å; E367-R371 IonicContact OE1-NE 3.34Å; E367-R371 PolarHBondContact OE1-NE 3.25Å; E367-R371 IonicContact OE1-NH2 3.49Å; E367-R371 PolarHBondContact OE1-NH2 2.76Å; E367-R371 IonicContact OE2-CZ 3.5Å; E367-R371 IonicContact OE2-NE 2.71Å; E367-R371 IonicContact OE2-NH2 3.09Å; E367-R371 PolarHBondContact OE2-NH2 3.39Å; T368-R371 PolarHBondContact O-N 2.65Å
372	L	98	Very high	94.5	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.052	9%	0.092	C	C	.	.	H	α-helix	trans	-88.9	-6.3	-178.1	-57.5	-173.7	0	0	0	113.4	I122 E131 V351 T368 I374	I122-L372 HydrophobicContact CG2-CD1 3.77Å; I122-L372 HydrophobicContact CG2-CD2 3.9Å; I122-L372 HydrophobicContact CG2-CG 4.46Å; E131-L372 HydrophobicContact CG-CD2 4.1Å; V351-L372 HydrophobicContact CG1-CD1 4.18Å; V351-L372 HydrophobicContact CG2-CD1 4.26Å; T368-L372 HydrophobicContact CG2-CD1 3.58Å; T368-L372 HydrophobicContact CG2-CG 4.12Å; T368-L372 VanDerWaalsContact O-CB 3.27Å; T368-L372 WeakPolarHBondContact O-CB 3.37Å; T368-L372 WeakPolarHBondContact O-CG 3.37Å; T368-L372 PolarHBondContact O-N 3.35Å; L372-I374 VanDerWaalsContact C-N 3.3Å; L372-I374 HydrophobicContact CB-CG1 4.1Å; L372-I374 PolarHBondContact O-N 3.49Å
373	K	98.3	Very high	93.8	Very high	97 Å²	97	19.1 Å²	19.1	42%	0.422	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	45.3	-176.6	-60.7	-64.1	-178.3	-176.2	0	112.4	V369 Q370 N375 D399	V369-K373 VanDerWaalsContact O-CA 3.24Å; V369-K373 WeakPolarHBondContact O-CA 3.43Å; V369-K373 PolarHBondContact O-N 3.11Å; Q370-K373 WeakPolarHBondContact O-CD 3.25Å; Q370-K373 WeakPolarHBondContact O-CE 3.3Å; K373-N375 PolarHBondContact O-N 3.4Å; K373-N375 PolarHBondContact O-OD1 3.29Å; K373-D399 IonicContact NZ-OD2 3.54Å; K373-D399 PolarHBondContact NZ-OD2 2.83Å
374	I	98.7	Very high	93.2	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.099	C	C	.	.			trans	-56.8	134.3	177.9	-65.2	177.1	0	0	0	109.9	V323 V351 T368 V369 L372 Q376 F377 S402 L403	V323-I374 HydrophobicContact CG1-CG1 4.08Å; V351-I374 HydrophobicContact CG2-CD1 4.22Å; V351-I374 HydrophobicContact CG2-CG1 4.29Å; T368-I374 HydrophobicContact CG2-CD1 4.06Å; V369-I374 HydrophobicContact CG2-CB 4.17Å; V369-I374 HydrophobicContact CG2-CD1 4.14Å; V369-I374 PolarHBondContact O-N 3.48Å; L372-I374 VanDerWaalsContact C-N 3.3Å; L372-I374 HydrophobicContact CB-CG1 4.1Å; L372-I374 PolarHBondContact O-N 3.49Å; I374-Q376 WeakPolarHBondContact CG2-O 3.49Å; I374-F377 HydrophobicContact CG2-CB 4.46Å; I374-S402 CarbonylContact O-C 3.07Å; I374-S402 VanDerWaalsContact O-CB 3.3Å; I374-S402 WeakPolarHBondContact O-CB 3.33Å; I374-S402 PolarHBondContact O-OG 2.86Å; I374-L403 HydrophobicContact CB-CD2 4.45Å; I374-L403 HydrophobicContact CG2-CD2 4.03Å; I374-L403 WeakPolarHBondContact O-CD2 3.46Å; I374-L403 PolarHBondContact O-N 3.39Å
375	N	98.8	Very high	92.5	Very high	23 Å²	23	20.4 Å²	20.4	12%	0.123	10%	0.102	C	C	.	.	S	Bend	trans	-100.6	-37.7	-179.4	-59.5	102.6	0	0	0	112.3	D322 V323 K373 S402 R404 T405	D322-N375 VanDerWaalsContact CA-OD1 3.3Å; D322-N375 WeakPolarHBondContact CA-OD1 3.43Å; D322-N375 HydrophobicContact CB-CB 4.01Å; V323-N375 PolarHBondContact N-OD1 3.23Å; V323-N375 PolarHBondContact O-N 2.87Å; K373-N375 PolarHBondContact O-N 3.4Å; K373-N375 PolarHBondContact O-OD1 3.29Å; N375-S402 WeakPolarHBondContact CA-O 3.21Å; N375-S402 PolarHBondContact ND2-O 3.41Å; N375-S402 VanDerWaalsContact ND2-O 3.13Å; N375-R404 PolarHBondContact ND2-NH1 2.82Å; N375-R404 VanDerWaalsContact ND2-NH1 3.13Å; N375-R404 PolarHBondContact O-N 3Å; N375-T405 PolarHBondContact O-N 2.99Å
376	Q	98.7	Very high	91.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126	174.5	-56	85.7	8	0	0	110.2	F316 D322 F324 G325 I374 T405	F316-Q376 HydrophobicContact CB-CG 4.25Å; F316-Q376 HydrophobicContact CD1-CB 4.43Å; D322-Q376 PolarHBondContact OD2-NE2 2.82Å; F324-Q376 HydrophobicContact CD2-CB 3.59Å; F324-Q376 HydrophobicContact CD2-CG 4.16Å; F324-Q376 HydrophobicContact CE2-CB 3.7Å; F324-Q376 HydrophobicContact CE2-CG 4.34Å; G325-Q376 VanDerWaalsContact CA-O 3.3Å; G325-Q376 WeakPolarHBondContact CA-O 3.3Å; G325-Q376 PolarHBondContact N-O 3.2Å; I374-Q376 WeakPolarHBondContact CG2-O 3.49Å; Q376-T405 CarbonylContact C-O 3.53Å; Q376-T405 VanDerWaalsContact CA-O 3.23Å; Q376-T405 WeakPolarHBondContact CA-O 3.41Å
377	F	98.6	Very high	91.1	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.5	176.8	-178.3	-89.6	0	0	0	110.1	G325 V327 Y365 W366 V369 I374 L403 T405 L406 G407	G325-F377 WeakPolarHBondContact O-CA 3.37Å; V327-F377 HydrophobicContact CG1-CD2 4.47Å; V327-F377 HydrophobicContact CG1-CE2 3.71Å; V327-F377 HydrophobicContact CG1-CZ 4.2Å; V327-F377 HydrophobicContact CG2-CE2 4.25Å; V327-F377 HydrophobicContact CG2-CZ 3.9Å; Y365-F377 HydrophobicContact CD1-CE2 4.17Å; Y365-F377 HydrophobicContact CD1-CZ 4.25Å; Y365-F377 HydrophobicContact CD2-CE1 4.46Å; Y365-F377 HydrophobicContact CD2-CE2 4.15Å; Y365-F377 AromaticContact CD2-CZ 3.51Å; Y365-F377 HydrophobicContact CD2-CZ 3.51Å; Y365-F377 HydrophobicContact CE1-CZ 4.49Å; Y365-F377 AromaticContact CE2-CZ 3.8Å; Y365-F377 HydrophobicContact CE2-CZ 3.8Å; Y365-F377 AromaticContact CG-CE2 3.93Å; Y365-F377 HydrophobicContact CG-CE2 3.93Å; Y365-F377 AromaticContact CG-CZ 3.78Å; Y365-F377 HydrophobicContact CG-CZ 3.78Å; W366-F377 HydrophobicContact CH2-CE1 4.34Å; W366-F377 HydrophobicContact CZ3-CE1 4.48Å; V369-F377 HydrophobicContact CG2-CD2 4.26Å; I374-F377 HydrophobicContact CG2-CB 4.46Å; F377-L403 HydrophobicContact CB-CD2 3.9Å; F377-T405 PolarHBondContact N-O 3.41Å; F377-L406 HydrophobicContact CB-CD2 3.92Å; F377-L406 HydrophobicContact CD1-CD2 4.48Å; F377-L406 CarbonylContact O-C 3.38Å; F377-L406 WeakPolarHBondContact O-CA 3.34Å; F377-G407 PolarHBondContact O-N 3.13Å
378	Y	98.3	Very high	90.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.6	-174.2	-171.7	-137.8	0	0	0	111.3	F316 F324 G325 C326 V327 T334 Y338 G407 V409 T435 W437	F316-Y378 HydrophobicContact CE1-CD1 4.26Å; F316-Y378 AromaticContact CE1-CD2 3.68Å; F316-Y378 HydrophobicContact CE1-CD2 3.68Å; F316-Y378 HydrophobicContact CE1-CE2 4.12Å; F316-Y378 AromaticContact CE1-CG 3.74Å; F316-Y378 HydrophobicContact CE1-CG 3.74Å; F316-Y378 HydrophobicContact CE2-CD1 4.5Å; F316-Y378 HydrophobicContact CE2-CE1 4.41Å; F316-Y378 AromaticContact CZ-CD1 3.65Å; F316-Y378 HydrophobicContact CZ-CD1 3.65Å; F316-Y378 AromaticContact CZ-CD2 3.59Å; F316-Y378 HydrophobicContact CZ-CD2 3.59Å; F316-Y378 AromaticContact CZ-CE1 3.72Å; F316-Y378 HydrophobicContact CZ-CE1 3.72Å; F316-Y378 AromaticContact CZ-CE2 3.64Å; F316-Y378 HydrophobicContact CZ-CE2 3.64Å; F316-Y378 AromaticContact CZ-CG 3.57Å; F316-Y378 HydrophobicContact CZ-CG 3.57Å; F316-Y378 AromaticContact CZ-CZ 3.7Å; F324-Y378 HydrophobicContact CZ-CD1 4.45Å; G325-Y378 PolarHBondContact O-N 3.05Å; C326-Y378 WeakPolarHBondContact CA-O 3.37Å; C326-Y378 HydrophobicContact CB-CD1 4.22Å; V327-Y378 PolarHBondContact N-O 3.36Å; T334-Y378 HydrophobicContact CG2-CD1 4.28Å; T334-Y378 HydrophobicContact CG2-CE1 3.86Å; Y338-Y378 AromaticContact CD2-CE1 3.78Å; Y338-Y378 HydrophobicContact CD2-CE1 3.78Å; Y338-Y378 HydrophobicContact CG-CE1 4.04Å; Y378-G407 WeakPolarHBondContact CD2-O 3.45Å; Y378-V409 HydrophobicContact CD1-CG1 4.37Å; Y378-V409 HydrophobicContact CD2-CB 4.41Å; Y378-V409 HydrophobicContact CD2-CG1 4.13Å; Y378-V409 HydrophobicContact CE1-CB 4.15Å; Y378-V409 HydrophobicContact CE1-CG1 3.9Å; Y378-V409 HydrophobicContact CE1-CG2 4.36Å; Y378-V409 HydrophobicContact CE2-CB 3.5Å; Y378-V409 HydrophobicContact CE2-CG1 3.66Å; Y378-V409 HydrophobicContact CE2-CG2 4.38Å; Y378-V409 HydrophobicContact CG-CG1 4.48Å; Y378-V409 VanDerWaalsContact OH-CB 3.22Å; Y378-V409 WeakPolarHBondContact OH-CB 3.37Å; Y378-V409 WeakPolarHBondContact OH-CG2 3.41Å; Y378-T435 HydrophobicContact CE2-CG2 4.18Å; Y378-T435 WeakPolarHBondContact CE2-OG1 3.32Å; Y378-T435 PolarHBondContact OH-OG1 3.47Å; Y378-W437 PolarHBondContact OH-NE1 2.93Å; Y378-W437 VanDerWaalsContact OH-NE1 3.16Å
379	G	88.7	Confident	89.4	Confident	6 Å²	6	27.3 Å²	27.3	6%	0.062	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	175.3	-174.5	0	0	0	0	0	114.1	G407 S408 V409	G379-G407 PolarHBondContact N-O 3.21Å; G379-S408 WeakPolarHBondContact O-CA 3.42Å; G379-V409 PolarHBondContact O-N 3.31Å
380	A	82.3	Confident	88.7	Confident	28 Å²	28	33.1 Å²	33.1	23%	0.231	16%	0.158	C	C	.	.			trans	-82.4	142.6	-178.3	0	0	0	0	0	112.3	T382 A383 V384 V409	A380-T382 PolarHBondContact O-N 3.04Å; A380-T382 VanDerWaalsContact O-N 3.08Å; A380-A383 PolarHBondContact O-N 2.96Å; A380-V384 PolarHBondContact O-N 3.4Å; A380-V409 WeakPolarHBondContact CA-O 3.08Å
381	P	82.2	Confident	88.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-51.3	-29.1	172.7	-31.4	37.7	0	0	0	115	A383 V384 R385 V409 E411 I413	P381-A383 VanDerWaalsContact C-N 3.29Å; P381-A383 PolarHBondContact O-N 3.01Å; P381-V384 WeakPolarHBondContact O-CB 3.49Å; P381-V384 PolarHBondContact O-N 3.32Å; P381-V384 VanDerWaalsContact O-N 3.13Å; P381-R385 WeakPolarHBondContact O-CB 3.41Å; P381-R385 WeakPolarHBondContact O-CG 3.49Å; P381-R385 PolarHBondContact O-N 3.18Å; P381-R385 PolarHBondContact O-NE 3.32Å; P381-V409 VanDerWaalsContact CD-O 3.27Å; P381-V409 WeakPolarHBondContact CD-O 3.4Å; P381-E411 HydrophobicContact CB-CG 4.02Å; P381-E411 WeakPolarHBondContact CB-OE1 3.47Å; P381-E411 HydrophobicContact CG-CG 3.83Å; P381-I413 HydrophobicContact CB-CB 4.02Å; P381-I413 HydrophobicContact CB-CD1 4.48Å; P381-I413 HydrophobicContact CB-CG1 4.04Å; P381-I413 HydrophobicContact CG-CB 3.72Å; P381-I413 HydrophobicContact CG-CD1 4.41Å; P381-I413 HydrophobicContact CG-CG1 4.16Å
382	T	74.8	Confident	87.9	Confident	20 Å²	20	30.6 Å²	30.6	12%	0.123	16%	0.158	C	C	.	.	H	α-helix	trans	-57.4	-43.2	176	-72.5	0	0	0	0	111.2	A380 L386 E411 S549	A380-T382 PolarHBondContact O-N 3.04Å; A380-T382 VanDerWaalsContact O-N 3.08Å; T382-L386 WeakPolarHBondContact O-CB 3.33Å; T382-L386 PolarHBondContact O-N 3.46Å; T382-E411 WeakPolarHBondContact CA-OE1 3.36Å; T382-E411 VanDerWaalsContact CB-OE1 3.29Å; T382-E411 WeakPolarHBondContact CB-OE1 3.3Å; T382-E411 PolarHBondContact N-OE1 3.12Å; T382-E411 VanDerWaalsContact OG1-CD 3.31Å; T382-E411 PolarHBondContact OG1-OE1 3.09Å; T382-E411 PolarHBondContact OG1-OE2 3.45Å; T382-S549 WeakPolarHBondContact OG1-CA 3.48Å
383	A	78.3	Confident	87.9	Confident	15 Å²	15	33.5 Å²	33.5	12%	0.124	18%	0.183	C	C	.	.	H	α-helix	trans	-69.8	-38	177.1	0	0	0	0	0	111.2	P357 Y365 A380 P381 L386 L387	P357-A383 HydrophobicContact CG-CB 4.45Å; Y365-A383 HydrophobicContact CE2-CB 4.02Å; A380-A383 PolarHBondContact O-N 2.96Å; P381-A383 VanDerWaalsContact C-N 3.29Å; P381-A383 PolarHBondContact O-N 3.01Å; A383-L386 PolarHBondContact O-N 3.37Å; A383-L387 WeakPolarHBondContact O-CB 3.44Å; A383-L387 VanDerWaalsContact O-CG 3.26Å; A383-L387 WeakPolarHBondContact O-CG 3.07Å; A383-L387 PolarHBondContact O-N 2.69Å
384	V	81.3	Confident	87.7	Confident	10 Å²	10	32.8 Å²	32.8	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-48	175.6	-176.9	0	0	0	0	110.6	A380 P381 L386 L387 L388 A417 W420 L421	A380-V384 PolarHBondContact O-N 3.4Å; P381-V384 WeakPolarHBondContact O-CB 3.49Å; P381-V384 PolarHBondContact O-N 3.32Å; P381-V384 VanDerWaalsContact O-N 3.13Å; V384-L386 PolarHBondContact O-N 3.03Å; V384-L387 PolarHBondContact O-N 3.06Å; V384-L388 WeakPolarHBondContact O-CB 3.21Å; V384-L388 PolarHBondContact O-N 3.18Å; V384-A417 HydrophobicContact CG1-CB 4Å; V384-W420 HydrophobicContact CG1-CE3 3.7Å; V384-W420 HydrophobicContact CG1-CZ3 3.87Å; V384-L421 HydrophobicContact CG1-CB 4.14Å; V384-L421 HydrophobicContact CG2-CD1 4.45Å; V384-L421 HydrophobicContact CG2-CD2 4.18Å
385	R	82.1	Confident	87.6	Confident	21 Å²	21	32.8 Å²	32.8	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-37.5	178.9	-73.1	179.2	-72.3	151.1	-13.7	112.5	P381 E411 A417 H578 D579 I580 G582	P381-R385 WeakPolarHBondContact O-CB 3.41Å; P381-R385 WeakPolarHBondContact O-CG 3.49Å; P381-R385 PolarHBondContact O-N 3.18Å; P381-R385 PolarHBondContact O-NE 3.32Å; R385-E411 IonicContact CZ-OE1 2.73Å; R385-E411 IonicContact NH2-OE1 3.22Å; R385-E411 PolarHBondContact NH2-OE1 2.85Å; R385-E411 IonicContact NH2-OE2 3.93Å; R385-E411 PolarHBondContact NH2-OE2 3.41Å; R385-A417 HydrophobicContact CG-CB 3.71Å; R385-H578 PolarHBondContact NH1-O 2.87Å; R385-D579 WeakPolarHBondContact CD-O 2.87Å; R385-D579 PolarHBondContact NH1-O 2.93Å; R385-I580 PolarHBondContact NH1-O 3.5Å; R385-G582 VanDerWaalsContact NH2-N 3.18Å
386	L	78.5	Confident	87.6	Confident	43 Å²	43	37.5 Å²	37.5	23%	0.225	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-48.9	172	176.6	62.5	0	0	0	111.5	P357 V358 T382 A383 V384 K389 Y390 I580	P357-L386 HydrophobicContact CG-CD2 3.97Å; V358-L386 HydrophobicContact CG1-CD2 3.82Å; V358-L386 HydrophobicContact CG1-CG 4.21Å; T382-L386 WeakPolarHBondContact O-CB 3.33Å; T382-L386 PolarHBondContact O-N 3.46Å; A383-L386 PolarHBondContact O-N 3.37Å; V384-L386 PolarHBondContact O-N 3.03Å; L386-K389 PolarHBondContact O-N 3.27Å; L386-Y390 HydrophobicContact CD1-CE2 4.01Å; L386-Y390 HydrophobicContact CG-CE2 4.29Å; L386-Y390 WeakPolarHBondContact O-CD2 3.38Å; L386-I580 HydrophobicContact CB-CG2 4.31Å
387	L	85.3	Confident	87.5	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-71	-37.3	-175.8	-70	172.6	0	0	0	112.9	P357 V358 A362 Y365 W366 A383 V384 K389 Y390 W420	P357-L387 HydrophobicContact CB-CD1 4.14Å; P357-L387 HydrophobicContact CB-CD2 4.16Å; P357-L387 HydrophobicContact CB-CG 4.24Å; V358-L387 HydrophobicContact CG1-CD2 4.29Å; A362-L387 HydrophobicContact CB-CD2 4.22Å; A362-L387 WeakPolarHBondContact O-CD2 3.49Å; Y365-L387 HydrophobicContact CD2-CD1 3.5Å; Y365-L387 HydrophobicContact CE2-CD1 4.02Å; Y365-L387 HydrophobicContact CG-CD1 4.48Å; W366-L387 HydrophobicContact CZ2-CD1 3.93Å; A383-L387 WeakPolarHBondContact O-CB 3.44Å; A383-L387 VanDerWaalsContact O-CG 3.26Å; A383-L387 WeakPolarHBondContact O-CG 3.07Å; A383-L387 PolarHBondContact O-N 2.69Å; V384-L387 PolarHBondContact O-N 3.06Å; L387-K389 PolarHBondContact O-N 3.32Å; L387-Y390 PolarHBondContact O-N 3.24Å; L387-W420 HydrophobicContact CB-CH2 3.81Å; L387-W420 HydrophobicContact CB-CZ3 4.42Å
388	L	81.3	Confident	87.5	Confident	31 Å²	31	44 Å²	44	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-50.5	-42.6	172.3	167.8	64.1	0	0	0	111.5	V384 Y390 G391 E416 W420	V384-L388 WeakPolarHBondContact O-CB 3.21Å; V384-L388 PolarHBondContact O-N 3.18Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 2.83Å; L388-G391 PolarHBondContact O-N 3.04Å; L388-G391 VanDerWaalsContact O-N 3.14Å; L388-E416 HydrophobicContact CD2-CG 3.94Å; L388-W420 HydrophobicContact CB-CD2 4.15Å; L388-W420 HydrophobicContact CB-CE3 4.45Å; L388-W420 HydrophobicContact CB-CG 4.38Å; L388-W420 HydrophobicContact CD1-CB 3.83Å; L388-W420 HydrophobicContact CD1-CD2 4.05Å; L388-W420 HydrophobicContact CD1-CG 3.44Å; L388-W420 VanDerWaalsContact CD1-CG 3.44Å; L388-W420 HydrophobicContact CG-CG 4.4Å
389	K	78.3	Confident	87.5	Confident	121 Å²	121	47 Å²	47	53%	0.526	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.7	-179.5	-70.3	-174	178.2	-161.6	0	114.6	L386 L387 G391 I580	L386-K389 PolarHBondContact O-N 3.27Å; L387-K389 PolarHBondContact O-N 3.32Å; K389-G391 VanDerWaalsContact C-N 3.32Å; K389-I580 HydrophobicContact CD-CD1 4.13Å; K389-I580 HydrophobicContact CD-CG1 4.11Å; K389-I580 VanDerWaalsContact NZ-CG1 3.35Å
390	Y	84	Confident	87.9	Confident	122 Å²	122	47.6 Å²	47.6	48%	0.478	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15	177.4	-76.7	-83.5	0	0	0	113.3	V358 A362 L386 L387 L388	V358-Y390 HydrophobicContact CG1-CE2 3.82Å; A362-Y390 HydrophobicContact CB-CD1 3.8Å; A362-Y390 HydrophobicContact CB-CD2 3.73Å; A362-Y390 HydrophobicContact CB-CE1 4.3Å; A362-Y390 HydrophobicContact CB-CE2 4.23Å; A362-Y390 HydrophobicContact CB-CG 3.49Å; A362-Y390 VanDerWaalsContact CB-CG 3.49Å; L386-Y390 HydrophobicContact CD1-CE2 4.01Å; L386-Y390 HydrophobicContact CG-CE2 4.29Å; L386-Y390 WeakPolarHBondContact O-CD2 3.38Å; L387-Y390 PolarHBondContact O-N 3.24Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 2.83Å
391	G	84.9	Confident	88.7	Confident	28 Å²	28	49.9 Å²	49.9	29%	0.289	26%	0.255	S	S	.	.			trans	88.9	157.3	178.8	0	0	0	0	0	114.7	L388 K389 A393 W394	L388-G391 PolarHBondContact O-N 3.04Å; L388-G391 VanDerWaalsContact O-N 3.14Å; K389-G391 VanDerWaalsContact C-N 3.32Å; G391-A393 PolarHBondContact O-N 3.33Å; G391-A393 VanDerWaalsContact O-N 3.12Å; G391-W394 PolarHBondContact O-N 2.86Å
392	D	95.6	Very high	89.4	Confident	50 Å²	50	50.6 Å²	50.6	27%	0.267	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.9	-168.3	-63.2	-1.8	0	0	0	115.4	W394 V395 K396 W420 V424	D392-W394 PolarHBondContact O-N 3.35Å; D392-V395 WeakPolarHBondContact O-CA 3.33Å; D392-V395 WeakPolarHBondContact O-CB 3.39Å; D392-V395 PolarHBondContact O-N 3.19Å; D392-K396 HydrophobicContact CB-CD 3.82Å; D392-K396 HydrophobicContact CB-CG 4.32Å; D392-K396 WeakPolarHBondContact O-CB 3.32Å; D392-K396 WeakPolarHBondContact O-CG 3.29Å; D392-K396 PolarHBondContact O-N 2.72Å; D392-K396 IonicContact OD2-NZ 3.7Å; D392-K396 PolarHBondContact OD2-NZ 2.94Å; D392-W420 PolarHBondContact OD1-NE1 2.67Å; D392-V424 HydrophobicContact CB-CG1 3.89Å
393	A	96.6	Very high	90.6	Very high	72 Å²	72	49.7 Å²	49.7	60%	0.595	26%	0.255	S	S	*	.	H	α-helix	trans	-59.2	-32.2	-175.7	0	0	0	0	0	112.3	G391 V395 K397	G391-A393 PolarHBondContact O-N 3.33Å; G391-A393 VanDerWaalsContact O-N 3.12Å; A393-V395 VanDerWaalsContact C-N 3.28Å; A393-V395 PolarHBondContact O-N 2.89Å; A393-K397 WeakPolarHBondContact O-CB 3.4Å; A393-K397 WeakPolarHBondContact O-CG 3.45Å; A393-K397 PolarHBondContact O-N 3.06Å
394	W	95	Very high	91.5	Very high	82 Å²	82	53.2 Å²	53.2	31%	0.311	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-29.4	175.4	-70	103.2	0	0	0	113.3	D361 A362 G391 D392 Y398	D361-W394 HydrophobicContact CB-CE3 4.34Å; D361-W394 HydrophobicContact CB-CH2 3.85Å; D361-W394 HydrophobicContact CB-CZ3 3.56Å; D361-W394 WeakPolarHBondContact OD1-CZ3 3.25Å; A362-W394 HydrophobicContact CB-CB 4.36Å; A362-W394 HydrophobicContact CB-CD2 3.97Å; A362-W394 HydrophobicContact CB-CE3 4.44Å; A362-W394 HydrophobicContact CB-CG 3.9Å; G391-W394 PolarHBondContact O-N 2.86Å; D392-W394 PolarHBondContact O-N 3.35Å; W394-Y398 VanDerWaalsContact O-CD2 3.31Å; W394-Y398 WeakPolarHBondContact O-CD2 3.27Å; W394-Y398 WeakPolarHBondContact O-CE2 3.3Å
395	V	97	Very high	92.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-83	-55.7	176	-168.6	0	0	0	0	109.9	W366 D392 A393 K397 Y398 R400 W420 V424 V425	W366-V395 HydrophobicContact CD2-CG1 4.09Å; W366-V395 HydrophobicContact CG-CB 4.41Å; W366-V395 HydrophobicContact CG-CG1 4.08Å; D392-V395 WeakPolarHBondContact O-CA 3.33Å; D392-V395 WeakPolarHBondContact O-CB 3.39Å; D392-V395 PolarHBondContact O-N 3.19Å; A393-V395 VanDerWaalsContact C-N 3.28Å; A393-V395 PolarHBondContact O-N 2.89Å; V395-K397 PolarHBondContact O-N 3.37Å; V395-K397 VanDerWaalsContact O-N 3.13Å; V395-Y398 PolarHBondContact O-N 3.25Å; V395-Y398 VanDerWaalsContact O-N 3.16Å; V395-R400 PolarHBondContact O-NH1 3.32Å; V395-W420 HydrophobicContact CG2-CH2 3.78Å; V395-W420 HydrophobicContact CG2-CZ2 3.37Å; V395-V424 HydrophobicContact CB-CG1 4.21Å; V395-V424 HydrophobicContact CG1-CG1 4.33Å; V395-V424 HydrophobicContact CG2-CG1 4.35Å; V395-V425 HydrophobicContact CG1-CB 4.41Å; V395-V425 HydrophobicContact CG1-CG2 3.95Å
396	K	97.3	Very high	93.1	Very high	123 Å²	123	52.1 Å²	52.1	54%	0.535	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-23.7	-169.1	-74.8	176.2	173.3	155.6	0	113.9	D392 Y398	D392-K396 HydrophobicContact CB-CD 3.82Å; D392-K396 HydrophobicContact CB-CG 4.32Å; D392-K396 WeakPolarHBondContact O-CB 3.32Å; D392-K396 WeakPolarHBondContact O-CG 3.29Å; D392-K396 PolarHBondContact O-N 2.72Å; D392-K396 IonicContact OD2-NZ 3.7Å; D392-K396 PolarHBondContact OD2-NZ 2.94Å; K396-Y398 VanDerWaalsContact C-N 3.26Å; K396-Y398 PolarHBondContact O-N 2.83Å
397	K	97.1	Very high	94	Very high	105 Å²	105	50.2 Å²	50.2	46%	0.457	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.1	178.8	72.3	-176.2	-172.7	173.1	0	115	A393 V395	A393-K397 WeakPolarHBondContact O-CB 3.4Å; A393-K397 WeakPolarHBondContact O-CG 3.45Å; A393-K397 PolarHBondContact O-N 3.06Å; V395-K397 PolarHBondContact O-N 3.37Å; V395-K397 VanDerWaalsContact O-N 3.13Å
398	Y	98	Very high	94.2	Very high	39 Å²	39	49.9 Å²	49.9	15%	0.153	25%	0.25	C	C	.	.	S	Bend	trans	-110.5	147.4	177.7	-60.5	-77.4	0	0	0	112	W366 E367 W394 V395 K396 R400	W366-Y398 HydrophobicContact CB-CD2 3.6Å; W366-Y398 HydrophobicContact CB-CE2 4.35Å; W366-Y398 HydrophobicContact CB-CG 4.12Å; E367-Y398 HydrophobicContact CB-CD1 4.12Å; E367-Y398 HydrophobicContact CB-CE1 3.58Å; E367-Y398 HydrophobicContact CB-CE2 4.27Å; E367-Y398 HydrophobicContact CG-CE1 3.86Å; W394-Y398 VanDerWaalsContact O-CD2 3.31Å; W394-Y398 WeakPolarHBondContact O-CD2 3.27Å; W394-Y398 WeakPolarHBondContact O-CE2 3.3Å; V395-Y398 PolarHBondContact O-N 3.25Å; V395-Y398 VanDerWaalsContact O-N 3.16Å; K396-Y398 VanDerWaalsContact C-N 3.26Å; K396-Y398 PolarHBondContact O-N 2.83Å; Y398-R400 PolarHBondContact O-N 3.02Å; Y398-R400 PolarHBondContact O-NH1 2.95Å
399	D	98.3	Very high	94.6	Very high	63 Å²	63	48.7 Å²	48.7	34%	0.337	24%	0.244	S	C	.	.			trans	-73.9	115.1	171.4	167.8	31.6	0	0	0	110.8	Q370 K373 S401	Q370-D399 WeakPolarHBondContact CA-O 3.25Å; Q370-D399 WeakPolarHBondContact CB-O 3.45Å; Q370-D399 HydrophobicContact CG-CB 4.07Å; K373-D399 IonicContact NZ-OD2 3.54Å; K373-D399 PolarHBondContact NZ-OD2 2.83Å; D399-S401 WeakPolarHBondContact OD1-CB 3.43Å; D399-S401 PolarHBondContact OD1-N 2.94Å; D399-S401 PolarHBondContact OD1-OG 3.15Å; D399-S401 PolarHBondContact OD2-OG 3.05Å
400	R	98	Very high	94.5	Very high	18 Å²	18	44.7 Å²	44.7	7%	0.068	24%	0.237	C	C	.	.			trans	-110.7	13.7	-179.4	-62.2	174.1	-53.4	-67.4	-10.7	112.1	V369 V395 Y398 S402 L403 V425 D427	V369-R400 HydrophobicContact CG1-CG 4.49Å; V395-R400 PolarHBondContact O-NH1 3.32Å; Y398-R400 PolarHBondContact O-N 3.02Å; Y398-R400 PolarHBondContact O-NH1 2.95Å; R400-S402 PolarHBondContact O-N 3.26Å; R400-S402 VanDerWaalsContact O-N 3.14Å; R400-L403 HydrophobicContact CB-CD1 4.1Å; R400-L403 WeakPolarHBondContact O-CB 3.4Å; R400-L403 PolarHBondContact O-N 3.14Å; R400-L403 VanDerWaalsContact O-N 3.09Å; R400-V425 WeakPolarHBondContact CD-O 3.43Å; R400-V425 PolarHBondContact NE-O 2.88Å; R400-V425 VanDerWaalsContact NE-O 3.08Å; R400-D427 IonicContact CZ-OD1 2.79Å; R400-D427 IonicContact NH2-OD1 2.93Å; R400-D427 PolarHBondContact NH2-OD1 3Å; R400-D427 IonicContact NH2-OD2 3.81Å
401	S	98.2	Very high	94.1	Very high	75 Å²	75	39.6 Å²	39.6	52%	0.524	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	-174.8	59.3	0	0	0	0	113.7	D399 L403	D399-S401 WeakPolarHBondContact OD1-CB 3.43Å; D399-S401 PolarHBondContact OD1-N 2.94Å; D399-S401 PolarHBondContact OD1-OG 3.15Å; D399-S401 PolarHBondContact OD2-OG 3.05Å; S401-L403 VanDerWaalsContact C-N 3.31Å; S401-L403 PolarHBondContact O-N 3.26Å
402	S	98.4	Very high	93.5	Very high	15 Å²	15	42.1 Å²	42.1	11%	0.105	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26	174.7	59.1	0	0	0	0	114	I374 N375 R400	I374-S402 CarbonylContact O-C 3.07Å; I374-S402 VanDerWaalsContact O-CB 3.3Å; I374-S402 WeakPolarHBondContact O-CB 3.33Å; I374-S402 PolarHBondContact O-OG 2.86Å; N375-S402 WeakPolarHBondContact CA-O 3.21Å; N375-S402 PolarHBondContact ND2-O 3.41Å; N375-S402 VanDerWaalsContact ND2-O 3.13Å; R400-S402 PolarHBondContact O-N 3.26Å; R400-S402 VanDerWaalsContact O-N 3.14Å
403	L	98.7	Very high	92.6	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.219	C	C	.	.			trans	-68	136.8	-177.3	-68.9	174.8	0	0	0	110.9	V369 I374 F377 R400 S401 L406 V425 C430	V369-L403 HydrophobicContact CG1-CD1 3.85Å; V369-L403 HydrophobicContact CG1-CD2 3.99Å; V369-L403 HydrophobicContact CG1-CG 3.66Å; V369-L403 HydrophobicContact CG2-CD1 4.43Å; V369-L403 HydrophobicContact CG2-CD2 4.24Å; I374-L403 HydrophobicContact CB-CD2 4.45Å; I374-L403 HydrophobicContact CG2-CD2 4.03Å; I374-L403 WeakPolarHBondContact O-CD2 3.46Å; I374-L403 PolarHBondContact O-N 3.39Å; F377-L403 HydrophobicContact CB-CD2 3.9Å; R400-L403 HydrophobicContact CB-CD1 4.1Å; R400-L403 WeakPolarHBondContact O-CB 3.4Å; R400-L403 PolarHBondContact O-N 3.14Å; R400-L403 VanDerWaalsContact O-N 3.09Å; S401-L403 VanDerWaalsContact C-N 3.31Å; S401-L403 PolarHBondContact O-N 3.26Å; L403-L406 HydrophobicContact CD1-CD2 4.05Å; L403-L406 HydrophobicContact CD2-CD2 4.5Å; L403-V425 HydrophobicContact CD1-CG1 4.25Å; L403-C430 PolarHBondContact O-SG 3.23Å; L403-C430 VanDerWaalsContact O-SG 3.35Å
404	R	98.1	Very high	91.5	Very high	89 Å²	89	40 Å²	40	34%	0.336	21%	0.207	S	C	.	.			trans	-127.2	-37.8	175.8	-54.6	-164.3	-53.3	-96.6	1.6	111.9	D322 N375 C430 T431	D322-R404 IonicContact OD1-CZ 2.78Å; D322-R404 IonicContact OD1-NH1 2.91Å; D322-R404 PolarHBondContact OD1-NH1 2.71Å; D322-R404 IonicContact OD1-NH2 3.14Å; D322-R404 PolarHBondContact OD1-NH2 3.18Å; D322-R404 IonicContact OD2-CZ 2.74Å; D322-R404 IonicContact OD2-NH2 3.36Å; D322-R404 PolarHBondContact OD2-NH2 2.83Å; N375-R404 PolarHBondContact ND2-NH1 2.82Å; N375-R404 VanDerWaalsContact ND2-NH1 3.13Å; N375-R404 PolarHBondContact O-N 3Å; R404-C430 CarbonylContact O-C 3.4Å; R404-C430 VanDerWaalsContact O-CA 3.25Å; R404-C430 WeakPolarHBondContact O-CA 3.39Å; R404-C430 WeakPolarHBondContact O-CB 3.48Å; R404-T431 PolarHBondContact O-N 3.35Å
405	T	98.3	Very high	90.7	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.5	178.3	-48.8	0	0	0	0	110.6	F316 N375 Q376 F377 T431 V433	F316-T405 HydrophobicContact CD1-CG2 4.07Å; F316-T405 PolarHBondContact O-OG1 3.03Å; N375-T405 PolarHBondContact O-N 2.99Å; Q376-T405 CarbonylContact C-O 3.53Å; Q376-T405 VanDerWaalsContact CA-O 3.23Å; Q376-T405 WeakPolarHBondContact CA-O 3.41Å; F377-T405 PolarHBondContact N-O 3.41Å; T405-T431 CarbonylContact C-O 3.26Å; T405-T431 WeakPolarHBondContact CA-O 3.06Å; T405-V433 HydrophobicContact CG2-CG2 3.98Å
406	L	98.5	Very high	90	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.1	167.2	-63.4	175	0	0	0	107.6	F377 L403 L421 V425 C430 T431 L432 V433	F377-L406 HydrophobicContact CB-CD2 3.92Å; F377-L406 HydrophobicContact CD1-CD2 4.48Å; F377-L406 CarbonylContact O-C 3.38Å; F377-L406 WeakPolarHBondContact O-CA 3.34Å; L403-L406 HydrophobicContact CD1-CD2 4.05Å; L403-L406 HydrophobicContact CD2-CD2 4.5Å; L406-L421 HydrophobicContact CB-CG 4.39Å; L406-L421 HydrophobicContact CD1-CD1 4.03Å; L406-L421 HydrophobicContact CD1-CG 3.99Å; L406-L421 WeakPolarHBondContact CD1-O 3.36Å; L406-L421 HydrophobicContact CD2-CD1 4.46Å; L406-V425 HydrophobicContact CD1-CB 4.31Å; L406-V425 HydrophobicContact CD1-CG1 4.11Å; L406-V425 HydrophobicContact CD2-CG1 4.05Å; L406-C430 HydrophobicContact CD1-CB 4.05Å; L406-C430 HydrophobicContact CG-CB 3.95Å; L406-T431 PolarHBondContact N-O 3.47Å; L406-L432 HydrophobicContact CB-CD1 3.67Å; L406-L432 CarbonylContact O-C 3.55Å; L406-L432 VanDerWaalsContact O-CA 3.31Å; L406-L432 WeakPolarHBondContact O-CA 3.3Å; L406-L432 WeakPolarHBondContact O-CD1 3.33Å; L406-V433 WeakPolarHBondContact O-CG2 3.32Å; L406-V433 PolarHBondContact O-N 3.01Å
407	G	97.3	Very high	89.2	Confident	3 Å²	3	41 Å²	41	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.3	172.3	0	0	0	0	0	113.6	F377 Y378 G379 V433	F377-G407 PolarHBondContact O-N 3.13Å; Y378-G407 WeakPolarHBondContact CD2-O 3.45Å; G379-G407 PolarHBondContact N-O 3.21Å; G407-V433 WeakPolarHBondContact CA-O 3.45Å
408	S	89.7	Confident	88.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.2	172.3	47.7	0	0	0	0	111.6	G379 V433 D434 T435	G379-S408 WeakPolarHBondContact O-CA 3.42Å; S408-V433 PolarHBondContact N-O 3.32Å; S408-D434 WeakPolarHBondContact OG-CA 3.09Å; S408-D434 WeakPolarHBondContact OG-CB 3.39Å; S408-D434 VanDerWaalsContact OG-CG 3.3Å; S408-D434 PolarHBondContact OG-OD1 3.04Å; S408-T435 PolarHBondContact O-N 2.91Å; S408-T435 PolarHBondContact O-OG1 2.71Å
409	V	89.9	Confident	88.5	Confident	6 Å²	6	37.8 Å²	37.8	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.6	-176.7	58.3	0	0	0	0	113.3	T334 Y378 G379 A380 P381 E411 W437	T334-V409 HydrophobicContact CG2-CG1 4.01Å; T334-V409 HydrophobicContact CG2-CG2 4.37Å; Y378-V409 HydrophobicContact CD1-CG1 4.37Å; Y378-V409 HydrophobicContact CD2-CB 4.41Å; Y378-V409 HydrophobicContact CD2-CG1 4.13Å; Y378-V409 HydrophobicContact CE1-CB 4.15Å; Y378-V409 HydrophobicContact CE1-CG1 3.9Å; Y378-V409 HydrophobicContact CE1-CG2 4.36Å; Y378-V409 HydrophobicContact CE2-CB 3.5Å; Y378-V409 HydrophobicContact CE2-CG1 3.66Å; Y378-V409 HydrophobicContact CE2-CG2 4.38Å; Y378-V409 HydrophobicContact CG-CG1 4.48Å; Y378-V409 VanDerWaalsContact OH-CB 3.22Å; Y378-V409 WeakPolarHBondContact OH-CB 3.37Å; Y378-V409 WeakPolarHBondContact OH-CG2 3.41Å; G379-V409 PolarHBondContact O-N 3.31Å; A380-V409 WeakPolarHBondContact CA-O 3.08Å; P381-V409 VanDerWaalsContact CD-O 3.27Å; P381-V409 WeakPolarHBondContact CD-O 3.4Å; V409-E411 VanDerWaalsContact C-N 3.29Å; V409-E411 PolarHBondContact O-N 2.75Å; V409-W437 HydrophobicContact CG2-CZ2 4.17Å
410	G	76.6	Confident	88.3	Confident	37 Å²	37	35.5 Å²	35.5	38%	0.381	19%	0.191	S	C	.	.	S	Bend	trans	95.4	-25.9	162.8	0	0	0	0	0	112.6	N547	G410-N547 PolarHBondContact O-ND2 3.42Å
411	E	73.9	Confident	88.1	Confident	14 Å²	14	34.7 Å²	34.7	7%	0.065	19%	0.188	C	C	.	.	S	Bend	trans	-153.9	162.2	178.2	55.8	175.5	-178.4	0	0	110.2	P381 T382 R385 V409	P381-E411 HydrophobicContact CB-CG 4.02Å; P381-E411 WeakPolarHBondContact CB-OE1 3.47Å; P381-E411 HydrophobicContact CG-CG 3.83Å; T382-E411 WeakPolarHBondContact CA-OE1 3.36Å; T382-E411 VanDerWaalsContact CB-OE1 3.29Å; T382-E411 WeakPolarHBondContact CB-OE1 3.3Å; T382-E411 PolarHBondContact N-OE1 3.12Å; T382-E411 VanDerWaalsContact OG1-CD 3.31Å; T382-E411 PolarHBondContact OG1-OE1 3.09Å; T382-E411 PolarHBondContact OG1-OE2 3.45Å; R385-E411 IonicContact CZ-OE1 2.73Å; R385-E411 IonicContact NH2-OE1 3.22Å; R385-E411 PolarHBondContact NH2-OE1 2.85Å; R385-E411 IonicContact NH2-OE2 3.93Å; R385-E411 PolarHBondContact NH2-OE2 3.41Å; V409-E411 VanDerWaalsContact C-N 3.29Å; V409-E411 PolarHBondContact O-N 2.75Å
412	P	73.3	Confident	88	Confident	82 Å²	82	33.5 Å²	33.5	53%	0.532	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-59.8	138.3	172.9	-23.1	34.4	0	0	0	112.2
413	I	76.5	Confident	87.9	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.051	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-96.2	131.4	170.2	-168.6	166.9	0	0	0	109.9	P381 A417 W418 L421 D434	P381-I413 HydrophobicContact CB-CB 4.02Å; P381-I413 HydrophobicContact CB-CD1 4.48Å; P381-I413 HydrophobicContact CB-CG1 4.04Å; P381-I413 HydrophobicContact CG-CB 3.72Å; P381-I413 HydrophobicContact CG-CD1 4.41Å; P381-I413 HydrophobicContact CG-CG1 4.16Å; I413-A417 HydrophobicContact CD1-CB 4.25Å; I413-A417 HydrophobicContact CG1-CB 3.9Å; I413-W418 HydrophobicContact CD1-CB 4.01Å; I413-W418 HydrophobicContact CG1-CB 4.14Å; I413-W418 HydrophobicContact CG2-CB 4.26Å; I413-L421 HydrophobicContact CD1-CD2 4.41Å; I413-D434 WeakPolarHBondContact CG2-OD2 3.43Å
414	N	74	Confident	87.9	Confident	68 Å²	68	38.7 Å²	38.7	36%	0.364	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-76.9	155.7	173.6	69.8	-40.9	0	0	0	110.7	E416 A417 W418	N414-E416 VanDerWaalsContact C-N 3.3Å; N414-E416 PolarHBondContact O-N 2.82Å; N414-A417 PolarHBondContact O-N 3.48Å; N414-A417 VanDerWaalsContact O-N 3.15Å; N414-A417 WeakPolarHBondContact OD1-CB 3.39Å; N414-W418 PolarHBondContact O-N 2.91Å
415	H	78	Confident	87.8	Confident	104 Å²	104	34.5 Å²	34.5	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-53.4	-44.6	-175.7	-173.6	83.1	0	0	0	113	A417 W418 E419 P459	H415-A417 PolarHBondContact O-N 3.08Å; H415-W418 PolarHBondContact O-N 2.65Å; H415-E419 IonicContact CE1-OE1 3.52Å; H415-E419 WeakPolarHBondContact NE2-CG 3.32Å; H415-E419 IonicContact NE2-OE1 3.57Å; H415-E419 PolarHBondContact NE2-OE1 3.38Å; H415-E419 WeakPolarHBondContact O-CB 3.42Å; H415-E419 WeakPolarHBondContact O-CG 3.34Å; H415-E419 PolarHBondContact O-N 3.47Å; H415-P459 WeakPolarHBondContact ND1-CB 3.11Å
416	E	81.6	Confident	87.8	Confident	124 Å²	124	34.1 Å²	34.1	58%	0.579	18%	0.178	S	C	*	.	H	α-helix	trans	-59.7	-47	179.2	-173.3	-172.8	-166.8	0	0	112.6	L388 N414 E419 W420	L388-E416 HydrophobicContact CD2-CG 3.94Å; N414-E416 VanDerWaalsContact C-N 3.3Å; N414-E416 PolarHBondContact O-N 2.82Å; E416-E419 PolarHBondContact O-N 3.01Å; E416-W420 WeakPolarHBondContact O-CB 3.3Å; E416-W420 PolarHBondContact O-N 2.83Å
417	A	79.7	Confident	87.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-36.4	178.5	0	0	0	0	0	112	V384 R385 I413 N414 H415 L421	V384-A417 HydrophobicContact CG1-CB 4Å; R385-A417 HydrophobicContact CG-CB 3.71Å; I413-A417 HydrophobicContact CD1-CB 4.25Å; I413-A417 HydrophobicContact CG1-CB 3.9Å; N414-A417 PolarHBondContact O-N 3.48Å; N414-A417 VanDerWaalsContact O-N 3.15Å; N414-A417 WeakPolarHBondContact OD1-CB 3.39Å; H415-A417 PolarHBondContact O-N 3.08Å; A417-L421 VanDerWaalsContact O-CB 3.31Å; A417-L421 WeakPolarHBondContact O-CB 3.15Å; A417-L421 PolarHBondContact O-N 3.38Å
418	W	89.4	Confident	87.7	Confident	15 Å²	15	39.2 Å²	39.2	6%	0.057	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-48.6	174	-173.9	100.8	0	0	0	110.9	I413 N414 H415 W420 L421 H422 L432 I457 P459	I413-W418 HydrophobicContact CD1-CB 4.01Å; I413-W418 HydrophobicContact CG1-CB 4.14Å; I413-W418 HydrophobicContact CG2-CB 4.26Å; N414-W418 PolarHBondContact O-N 2.91Å; H415-W418 PolarHBondContact O-N 2.65Å; W418-W420 VanDerWaalsContact C-N 3.31Å; W418-W420 PolarHBondContact O-N 3.07Å; W418-L421 PolarHBondContact O-N 3.37Å; W418-H422 HydrophobicContact CE3-CB 4.22Å; W418-H422 HydrophobicContact CH2-CB 4.05Å; W418-H422 AromaticContact CH2-CG 3.93Å; W418-H422 HydrophobicContact CZ3-CB 3.86Å; W418-H422 WeakPolarHBondContact O-CB 3.39Å; W418-H422 PolarHBondContact O-N 3.46Å; W418-L432 HydrophobicContact CD2-CD2 3.76Å; W418-L432 VanDerWaalsContact CE2-CD2 3.44Å; W418-L432 HydrophobicContact CG-CD2 3.84Å; W418-L432 HydrophobicContact CZ2-CB 4.26Å; W418-L432 HydrophobicContact CZ2-CD2 3.99Å; W418-L432 HydrophobicContact CZ2-CG 4.31Å; W418-I457 HydrophobicContact CZ2-CG2 4.08Å; W418-P459 HydrophobicContact CD2-CB 3.74Å; W418-P459 HydrophobicContact CD2-CG 4.45Å; W418-P459 HydrophobicContact CE3-CB 3.49Å; W418-P459 VanDerWaalsContact CE3-CB 3.49Å; W418-P459 HydrophobicContact CE3-CG 3.87Å; W418-P459 HydrophobicContact CG-CB 4.34Å; W418-P459 HydrophobicContact CH2-CB 4.32Å; W418-P459 HydrophobicContact CH2-CG 4Å; W418-P459 HydrophobicContact CZ2-CB 4.48Å; W418-P459 HydrophobicContact CZ3-CB 3.82Å; W418-P459 HydrophobicContact CZ3-CG 3.64Å
419	E	91.4	Very high	88	Confident	61 Å²	61	45.4 Å²	45.4	29%	0.285	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-40.7	179.4	-75.4	-151.4	134	0	0	111.5	H415 E416 H422 K423	H415-E419 IonicContact CE1-OE1 3.52Å; H415-E419 WeakPolarHBondContact NE2-CG 3.32Å; H415-E419 IonicContact NE2-OE1 3.57Å; H415-E419 PolarHBondContact NE2-OE1 3.38Å; H415-E419 WeakPolarHBondContact O-CB 3.42Å; H415-E419 WeakPolarHBondContact O-CG 3.34Å; H415-E419 PolarHBondContact O-N 3.47Å; E416-E419 PolarHBondContact O-N 3.01Å; E419-H422 PolarHBondContact O-N 3.43Å; E419-K423 VanDerWaalsContact O-CB 3.22Å; E419-K423 WeakPolarHBondContact O-CB 3.4Å; E419-K423 WeakPolarHBondContact O-CG 3Å; E419-K423 PolarHBondContact O-N 3.2Å; E419-K423 IonicContact OE1-NZ 2.77Å; E419-K423 PolarHBondContact OE1-NZ 3.19Å; E419-K423 IonicContact OE2-NZ 3.68Å; E419-K423 PolarHBondContact OE2-NZ 2.85Å
420	W	94	Very high	88.4	Confident	14 Å²	14	45.2 Å²	45.2	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-45.6	175.9	-179	86.5	0	0	0	112.1	W366 V384 L387 L388 D392 V395 E416 W418 H422 V424 V425	W366-W420 AromaticContact CZ2-CH2 3.92Å; W366-W420 HydrophobicContact CZ2-CH2 3.92Å; W366-W420 HydrophobicContact CZ2-CZ3 4.22Å; V384-W420 HydrophobicContact CG1-CE3 3.7Å; V384-W420 HydrophobicContact CG1-CZ3 3.87Å; L387-W420 HydrophobicContact CB-CH2 3.81Å; L387-W420 HydrophobicContact CB-CZ3 4.42Å; L388-W420 HydrophobicContact CB-CD2 4.15Å; L388-W420 HydrophobicContact CB-CE3 4.45Å; L388-W420 HydrophobicContact CB-CG 4.38Å; L388-W420 HydrophobicContact CD1-CB 3.83Å; L388-W420 HydrophobicContact CD1-CD2 4.05Å; L388-W420 HydrophobicContact CD1-CG 3.44Å; L388-W420 VanDerWaalsContact CD1-CG 3.44Å; L388-W420 HydrophobicContact CG-CG 4.4Å; D392-W420 PolarHBondContact OD1-NE1 2.67Å; V395-W420 HydrophobicContact CG2-CH2 3.78Å; V395-W420 HydrophobicContact CG2-CZ2 3.37Å; E416-W420 WeakPolarHBondContact O-CB 3.3Å; E416-W420 PolarHBondContact O-N 2.83Å; W418-W420 VanDerWaalsContact C-N 3.31Å; W418-W420 PolarHBondContact O-N 3.07Å; W420-H422 VanDerWaalsContact C-N 3.3Å; W420-H422 PolarHBondContact O-N 2.82Å; W420-V424 HydrophobicContact CD2-CB 4.44Å; W420-V424 HydrophobicContact CG-CB 4.23Å; W420-V424 HydrophobicContact CG-CG2 4.18Å; W420-V424 WeakPolarHBondContact O-CA 3.11Å; W420-V424 VanDerWaalsContact O-CB 3.25Å; W420-V424 WeakPolarHBondContact O-CB 3.18Å; W420-V424 PolarHBondContact O-N 2.99Å; W420-V425 HydrophobicContact CD2-CG2 4.49Å; W420-V425 HydrophobicContact CE3-CG2 3.91Å; W420-V425 HydrophobicContact CH2-CG2 3.71Å; W420-V425 HydrophobicContact CZ2-CG2 4.31Å; W420-V425 HydrophobicContact CZ3-CG2 3.48Å; W420-V425 VanDerWaalsContact CZ3-CG2 3.48Å; W420-V425 PolarHBondContact O-N 3.34Å
421	L	93.7	Very high	89.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.232	C	C	.	.	I	π-helix	trans	-60.6	-41.6	177.1	-173.5	60.4	0	0	0	110.9	V384 L406 I413 A417 W418 V425 G426 L432	V384-L421 HydrophobicContact CG1-CB 4.14Å; V384-L421 HydrophobicContact CG2-CD1 4.45Å; V384-L421 HydrophobicContact CG2-CD2 4.18Å; L406-L421 HydrophobicContact CB-CG 4.39Å; L406-L421 HydrophobicContact CD1-CD1 4.03Å; L406-L421 HydrophobicContact CD1-CG 3.99Å; L406-L421 WeakPolarHBondContact CD1-O 3.36Å; L406-L421 HydrophobicContact CD2-CD1 4.46Å; I413-L421 HydrophobicContact CD1-CD2 4.41Å; A417-L421 VanDerWaalsContact O-CB 3.31Å; A417-L421 WeakPolarHBondContact O-CB 3.15Å; A417-L421 PolarHBondContact O-N 3.38Å; W418-L421 PolarHBondContact O-N 3.37Å; L421-V425 HydrophobicContact CD1-CB 3.98Å; L421-V425 HydrophobicContact CD1-CG1 4.13Å; L421-V425 HydrophobicContact CD1-CG2 4.01Å; L421-V425 WeakPolarHBondContact O-CB 3.32Å; L421-G426 PolarHBondContact O-N 2.9Å; L421-L432 HydrophobicContact CB-CD2 4.12Å; L421-L432 HydrophobicContact CD2-CD1 3.53Å; L421-L432 HydrophobicContact CD2-CD2 4.07Å; L421-L432 HydrophobicContact CG-CD1 4.11Å; L421-L432 HydrophobicContact CG-CD2 4.12Å
422	H	96.7	Very high	90.5	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.227	23%	0.23	C	C	.	.	I	π-helix	trans	-71.2	-55	177.3	-177.3	-118.2	0	0	0	113	W418 E419 W420 G426 D427 G428 C430 L432	W418-H422 HydrophobicContact CE3-CB 4.22Å; W418-H422 HydrophobicContact CH2-CB 4.05Å; W418-H422 AromaticContact CH2-CG 3.93Å; W418-H422 HydrophobicContact CZ3-CB 3.86Å; W418-H422 WeakPolarHBondContact O-CB 3.39Å; W418-H422 PolarHBondContact O-N 3.46Å; E419-H422 PolarHBondContact O-N 3.43Å; W420-H422 VanDerWaalsContact C-N 3.3Å; W420-H422 PolarHBondContact O-N 2.82Å; H422-G426 CarbonylContact O-C 3.35Å; H422-G426 WeakPolarHBondContact O-CA 3.5Å; H422-G426 PolarHBondContact O-N 2.87Å; H422-D427 PolarHBondContact O-N 2.96Å; H422-G428 PolarHBondContact O-N 3.39Å; H422-C430 PolarHBondContact CD2-O 2.85Å; H422-L432 HydrophobicContact CB-CD2 4.01Å
423	K	97.2	Very high	91.6	Very high	112 Å²	112	41.3 Å²	41.3	49%	0.487	20%	0.204	S	C	.	.	I	π-helix	trans	-78	-39	-171.2	-64.4	175.8	-174.3	163.7	0	113.3	E419 D427	E419-K423 VanDerWaalsContact O-CB 3.22Å; E419-K423 WeakPolarHBondContact O-CB 3.4Å; E419-K423 WeakPolarHBondContact O-CG 3Å; E419-K423 PolarHBondContact O-N 3.2Å; E419-K423 IonicContact OE1-NZ 2.77Å; E419-K423 PolarHBondContact OE1-NZ 3.19Å; E419-K423 IonicContact OE2-NZ 3.68Å; E419-K423 PolarHBondContact OE2-NZ 2.85Å; K423-D427 WeakPolarHBondContact O-CA 3.43Å
424	V	97.4	Very high	92.4	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.091	21%	0.205	C	C	.	.	I	π-helix	trans	-95.6	-49.6	-173.6	-178.4	0	0	0	0	111.7	D392 V395 W420	D392-V424 HydrophobicContact CB-CG1 3.89Å; V395-V424 HydrophobicContact CB-CG1 4.21Å; V395-V424 HydrophobicContact CG1-CG1 4.33Å; V395-V424 HydrophobicContact CG2-CG1 4.35Å; W420-V424 HydrophobicContact CD2-CB 4.44Å; W420-V424 HydrophobicContact CG-CB 4.23Å; W420-V424 HydrophobicContact CG-CG2 4.18Å; W420-V424 WeakPolarHBondContact O-CA 3.11Å; W420-V424 VanDerWaalsContact O-CB 3.25Å; W420-V424 WeakPolarHBondContact O-CB 3.18Å; W420-V424 PolarHBondContact O-N 2.99Å
425	V	97.7	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-76.1	-49.4	-179.8	177.3	0	0	0	0	110.4	W366 V395 R400 L403 L406 W420 L421	W366-V425 HydrophobicContact CE3-CG1 3.96Å; W366-V425 HydrophobicContact CH2-CB 4.16Å; W366-V425 HydrophobicContact CH2-CG1 3.43Å; W366-V425 VanDerWaalsContact CH2-CG1 3.43Å; W366-V425 HydrophobicContact CH2-CG2 3.59Å; W366-V425 HydrophobicContact CZ2-CG1 4.22Å; W366-V425 HydrophobicContact CZ2-CG2 3.6Å; W366-V425 HydrophobicContact CZ3-CB 4.42Å; W366-V425 HydrophobicContact CZ3-CG1 3.29Å; W366-V425 HydrophobicContact CZ3-CG2 4.25Å; V395-V425 HydrophobicContact CG1-CB 4.41Å; V395-V425 HydrophobicContact CG1-CG2 3.95Å; R400-V425 WeakPolarHBondContact CD-O 3.43Å; R400-V425 PolarHBondContact NE-O 2.88Å; R400-V425 VanDerWaalsContact NE-O 3.08Å; L403-V425 HydrophobicContact CD1-CG1 4.25Å; L406-V425 HydrophobicContact CD1-CB 4.31Å; L406-V425 HydrophobicContact CD1-CG1 4.11Å; L406-V425 HydrophobicContact CD2-CG1 4.05Å; W420-V425 HydrophobicContact CD2-CG2 4.49Å; W420-V425 HydrophobicContact CE3-CG2 3.91Å; W420-V425 HydrophobicContact CH2-CG2 3.71Å; W420-V425 HydrophobicContact CZ2-CG2 4.31Å; W420-V425 HydrophobicContact CZ3-CG2 3.48Å; W420-V425 VanDerWaalsContact CZ3-CG2 3.48Å; W420-V425 PolarHBondContact O-N 3.34Å; L421-V425 HydrophobicContact CD1-CB 3.98Å; L421-V425 HydrophobicContact CD1-CG1 4.13Å; L421-V425 HydrophobicContact CD1-CG2 4.01Å; L421-V425 WeakPolarHBondContact O-CB 3.32Å
426	G	97.7	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-84.4	-1.9	-177.5	0	0	0	0	0	115.9	L421 H422 G428 R429 C430	L421-G426 PolarHBondContact O-N 2.9Å; H422-G426 CarbonylContact O-C 3.35Å; H422-G426 WeakPolarHBondContact O-CA 3.5Å; H422-G426 PolarHBondContact O-N 2.87Å; G426-G428 PolarHBondContact O-N 3.46Å; G426-G428 VanDerWaalsContact O-N 3.12Å; G426-R429 PolarHBondContact O-N 3.14Å; G426-C430 PolarHBondContact O-N 3.18Å
427	D	97.1	Very high	95	Very high	69 Å²	69	29.5 Å²	29.5	37%	0.369	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	26.3	-171.5	-51.3	-44.4	0	0	0	114	R400 H422 K423 R429	R400-D427 IonicContact CZ-OD1 2.79Å; R400-D427 IonicContact NH2-OD1 2.93Å; R400-D427 PolarHBondContact NH2-OD1 3Å; R400-D427 IonicContact NH2-OD2 3.81Å; H422-D427 PolarHBondContact O-N 2.96Å; K423-D427 WeakPolarHBondContact O-CA 3.43Å; D427-R429 HydrophobicContact CB-CG 4.43Å; D427-R429 PolarHBondContact O-N 3.25Å; D427-R429 IonicContact OD2-CZ 3.36Å; D427-R429 IonicContact OD2-NE 3.84Å; D427-R429 IonicContact OD2-NH2 2.69Å; D427-R429 PolarHBondContact OD2-NH2 3.47Å
428	G	96.2	Very high	95.7	Very high	41 Å²	41	30 Å²	30	42%	0.423	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	8.1	-172.4	0	0	0	0	0	115	H422 G426	H422-G428 PolarHBondContact O-N 3.39Å; G426-G428 PolarHBondContact O-N 3.46Å; G426-G428 VanDerWaalsContact O-N 3.12Å
429	R	96.7	Very high	95.9	Very high	130 Å²	130	29.8 Å²	29.8	49%	0.491	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-32.2	-178.7	-61.3	179.1	-65.7	93	4	113.1	G426 D427	G426-R429 PolarHBondContact O-N 3.14Å; D427-R429 HydrophobicContact CB-CG 4.43Å; D427-R429 PolarHBondContact O-N 3.25Å; D427-R429 IonicContact OD2-CZ 3.36Å; D427-R429 IonicContact OD2-NE 3.84Å; D427-R429 IonicContact OD2-NH2 2.69Å; D427-R429 PolarHBondContact OD2-NH2 3.47Å
430	C	97.7	Very high	96.1	Very high	3 Å²	3	27 Å²	27	2%	0.02	14%	0.136	C	C	.	.	S	Bend	trans	-79.3	137.8	-174.2	-60.3	0	0	0	0	110.9	L403 R404 L406 H422 G426 L432	L403-C430 PolarHBondContact O-SG 3.23Å; L403-C430 VanDerWaalsContact O-SG 3.35Å; R404-C430 CarbonylContact O-C 3.4Å; R404-C430 VanDerWaalsContact O-CA 3.25Å; R404-C430 WeakPolarHBondContact O-CA 3.39Å; R404-C430 WeakPolarHBondContact O-CB 3.48Å; L406-C430 HydrophobicContact CD1-CB 4.05Å; L406-C430 HydrophobicContact CG-CB 3.95Å; H422-C430 PolarHBondContact CD2-O 2.85Å; G426-C430 PolarHBondContact O-N 3.18Å; C430-L432 PolarHBondContact O-N 3.19Å
431	T	97	Very high	96.3	Very high	48 Å²	48	26.3 Å²	26.3	29%	0.294	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.4	166.1	-64.6	0	0	0	0	108.7	R404 T405 L406 V433 R449 I457	R404-T431 PolarHBondContact O-N 3.35Å; T405-T431 CarbonylContact C-O 3.26Å; T405-T431 WeakPolarHBondContact CA-O 3.06Å; L406-T431 PolarHBondContact N-O 3.47Å; T431-V433 HydrophobicContact CG2-CG1 4.07Å; T431-R449 HydrophobicContact CG2-CG 3.97Å; T431-I457 HydrophobicContact CG2-CD1 3.68Å
432	L	97	Very high	96.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.3	175.6	177.2	51.3	0	0	0	110.6	L406 W418 L421 H422 C430 I457	L406-L432 HydrophobicContact CB-CD1 3.67Å; L406-L432 CarbonylContact O-C 3.55Å; L406-L432 VanDerWaalsContact O-CA 3.31Å; L406-L432 WeakPolarHBondContact O-CA 3.3Å; L406-L432 WeakPolarHBondContact O-CD1 3.33Å; W418-L432 HydrophobicContact CD2-CD2 3.76Å; W418-L432 VanDerWaalsContact CE2-CD2 3.44Å; W418-L432 HydrophobicContact CG-CD2 3.84Å; W418-L432 HydrophobicContact CZ2-CB 4.26Å; W418-L432 HydrophobicContact CZ2-CD2 3.99Å; W418-L432 HydrophobicContact CZ2-CG 4.31Å; L421-L432 HydrophobicContact CB-CD2 4.12Å; L421-L432 HydrophobicContact CD2-CD1 3.53Å; L421-L432 HydrophobicContact CD2-CD2 4.07Å; L421-L432 HydrophobicContact CG-CD1 4.11Å; L421-L432 HydrophobicContact CG-CD2 4.12Å; H422-L432 HydrophobicContact CB-CD2 4.01Å; C430-L432 PolarHBondContact O-N 3.19Å; L432-I457 WeakPolarHBondContact O-CG2 3.28Å
433	V	97.4	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	105.5	178.1	-66.7	0	0	0	0	111	V315 F316 T405 L406 G407 S408 T431 T435 R449	V315-V433 HydrophobicContact CG1-CB 4.13Å; V315-V433 HydrophobicContact CG1-CG1 4.21Å; V315-V433 HydrophobicContact CG1-CG2 4.09Å; F316-V433 HydrophobicContact CD1-CG2 4.2Å; F316-V433 HydrophobicContact CE1-CG2 3.97Å; T405-V433 HydrophobicContact CG2-CG2 3.98Å; L406-V433 WeakPolarHBondContact O-CG2 3.32Å; L406-V433 PolarHBondContact O-N 3.01Å; G407-V433 WeakPolarHBondContact CA-O 3.45Å; S408-V433 PolarHBondContact N-O 3.32Å; T431-V433 HydrophobicContact CG2-CG1 4.07Å; V433-T435 HydrophobicContact CB-CG2 4.28Å; V433-T435 HydrophobicContact CG2-CG2 4.24Å; V433-R449 HydrophobicContact CG1-CB 3.88Å; V433-R449 HydrophobicContact CG1-CG 3.7Å
434	D	92.9	Very high	96.6	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.064	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.4	168.5	-171.6	28.3	0	0	0	109.5	S408 I413 P448 A462	S408-D434 WeakPolarHBondContact OG-CA 3.09Å; S408-D434 WeakPolarHBondContact OG-CB 3.39Å; S408-D434 VanDerWaalsContact OG-CG 3.3Å; S408-D434 PolarHBondContact OG-OD1 3.04Å; I413-D434 WeakPolarHBondContact CG2-OD2 3.43Å; D434-P448 WeakPolarHBondContact O-CD 3.45Å; D434-A462 WeakPolarHBondContact O-CA 3.38Å
435	T	97.1	Very high	96.7	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.043	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.5	-167.1	63.1	0	0	0	0	111.6	V315 Y378 S408 V433 I444 A447	V315-T435 HydrophobicContact CG1-CG2 4.15Å; Y378-T435 HydrophobicContact CE2-CG2 4.18Å; Y378-T435 WeakPolarHBondContact CE2-OG1 3.32Å; Y378-T435 PolarHBondContact OH-OG1 3.47Å; S408-T435 PolarHBondContact O-N 2.91Å; S408-T435 PolarHBondContact O-OG1 2.71Å; V433-T435 HydrophobicContact CB-CG2 4.28Å; V433-T435 HydrophobicContact CG2-CG2 4.24Å; T435-I444 HydrophobicContact CG2-CD1 3.94Å; T435-I444 HydrophobicContact CG2-CG1 4.14Å; T435-I444 HydrophobicContact CG2-CG2 4.1Å; T435-A447 HydrophobicContact CG2-CB 4.01Å
436	W	95.2	Very high	96.7	Very high	21 Å²	21	17.9 Å²	17.9	8%	0.08	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-111.9	130.8	171.3	175.7	86.8	0	0	0	111.4	Q438 C445 I446 A462 L490 I492 T524 D526 I538	W436-Q438 HydrophobicContact CZ2-CG 4.2Å; W436-C445 HydrophobicContact CE3-CB 3.82Å; W436-C445 HydrophobicContact CZ3-CB 3.57Å; W436-C445 PolarHBondContact O-N 2.94Å; W436-I446 HydrophobicContact CB-CB 4.37Å; W436-I446 HydrophobicContact CD2-CD1 4.42Å; W436-I446 HydrophobicContact CE3-CB 4.19Å; W436-I446 HydrophobicContact CE3-CD1 3.69Å; W436-I446 HydrophobicContact CE3-CG1 3.74Å; W436-I446 HydrophobicContact CZ3-CD1 4.08Å; W436-I446 HydrophobicContact CZ3-CG1 4.23Å; W436-I446 PolarHBondContact N-O 3.37Å; W436-I446 PolarHBondContact O-N 2.91Å; W436-I446 VanDerWaalsContact O-N 3.14Å; W436-A462 HydrophobicContact CB-CB 4Å; W436-L490 HydrophobicContact CD2-CD2 4.36Å; W436-L490 HydrophobicContact CE3-CD2 4.41Å; W436-L490 HydrophobicContact CH2-CD2 3.77Å; W436-L490 HydrophobicContact CZ2-CD2 3.66Å; W436-L490 HydrophobicContact CZ3-CD2 4.13Å; W436-I492 HydrophobicContact CH2-CD1 4.48Å; W436-T524 HydrophobicContact CH2-CG2 3.48Å; W436-T524 VanDerWaalsContact CH2-CG2 3.48Å; W436-T524 HydrophobicContact CZ2-CG2 3.81Å; W436-D526 WeakPolarHBondContact CZ2-OD2 3.48Å; W436-D526 PolarHBondContact NE1-OD2 3.36Å; W436-I538 HydrophobicContact CB-CD1 4.11Å; W436-I538 HydrophobicContact CB-CG1 3.87Å; W436-I538 VanDerWaalsContact CD1-CG1 3.43Å; W436-I538 HydrophobicContact CD2-CD1 3.87Å; W436-I538 HydrophobicContact CD2-CG1 4.46Å; W436-I538 HydrophobicContact CG-CD1 3.55Å; W436-I538 HydrophobicContact CG-CG1 3.63Å
437	W	96.6	Very high	96.7	Very high	18 Å²	18	18 Å²	18	7%	0.068	10%	0.096	C	C	.	.			trans	-176.7	176	175	61.3	-66.6	0	0	0	111	I333 T334 Y338 Y378 V409 T441 G443 I444	I333-W437 HydrophobicContact CB-CH2 4.24Å; I333-W437 HydrophobicContact CB-CZ3 4.13Å; I333-W437 HydrophobicContact CG1-CH2 3.95Å; I333-W437 HydrophobicContact CG1-CZ3 3.5Å; I333-W437 VanDerWaalsContact CG1-CZ3 3.5Å; I333-W437 HydrophobicContact CG2-CE3 4.31Å; I333-W437 HydrophobicContact CG2-CH2 3.69Å; I333-W437 HydrophobicContact CG2-CZ2 4.42Å; I333-W437 HydrophobicContact CG2-CZ3 3.64Å; T334-W437 HydrophobicContact CG2-CZ2 4.17Å; T334-W437 WeakPolarHBondContact OG1-CZ2 3.49Å; Y338-W437 AromaticContact CD2-CH2 3.69Å; Y338-W437 HydrophobicContact CD2-CH2 3.69Å; Y338-W437 AromaticContact CD2-CZ2 3.43Å; Y338-W437 HydrophobicContact CD2-CZ2 3.43Å; Y338-W437 VanDerWaalsContact CD2-CZ2 3.43Å; Y338-W437 HydrophobicContact CE2-CD2 4.32Å; Y338-W437 AromaticContact CE2-CE2 3.65Å; Y338-W437 AromaticContact CE2-CH2 3.44Å; Y338-W437 HydrophobicContact CE2-CH2 3.44Å; Y338-W437 VanDerWaalsContact CE2-CH2 3.44Å; Y338-W437 AromaticContact CE2-CZ2 3.24Å; Y338-W437 HydrophobicContact CE2-CZ2 3.24Å; Y338-W437 HydrophobicContact CE2-CZ3 4.09Å; Y378-W437 PolarHBondContact OH-NE1 2.93Å; Y378-W437 VanDerWaalsContact OH-NE1 3.16Å; V409-W437 HydrophobicContact CG2-CZ2 4.17Å; W437-T441 WeakPolarHBondContact CB-OG1 3.42Å; W437-G443 WeakPolarHBondContact CB-O 3.28Å; W437-G443 VanDerWaalsContact CE3-C 3.42Å; W437-I444 HydrophobicContact CG-CG1 4.23Å
438	Q	93.3	Very high	96.7	Very high	11 Å²	11	14.7 Å²	14.7	5%	0.051	8%	0.078	C	C	.	.			trans	-141.6	167.7	-172.8	-48.1	172.8	-46.9	0	0	111	W436 E440 T441 G442 Y522 T524 D526 R541	W436-Q438 HydrophobicContact CZ2-CG 4.2Å; Q438-E440 WeakPolarHBondContact CB-OE2 3.28Å; Q438-E440 PolarHBondContact O-N 2.94Å; Q438-T441 HydrophobicContact CB-CG2 4.11Å; Q438-T441 HydrophobicContact CG-CG2 4.39Å; Q438-T441 PolarHBondContact N-OG1 2.75Å; Q438-T441 PolarHBondContact O-N 3.19Å; Q438-T441 PolarHBondContact O-OG1 3.27Å; Q438-G442 PolarHBondContact O-N 3.13Å; Q438-Y522 PolarHBondContact OE1-OH 3.41Å; Q438-T524 PolarHBondContact NE2-O 2.95Å; Q438-T524 PolarHBondContact OE1-O 3.47Å; Q438-D526 PolarHBondContact NE2-OD2 3.19Å; Q438-R541 VanDerWaalsContact NE2-NH1 3.13Å
439	T	93.8	Very high	96.8	Very high	10 Å²	10	15 Å²	15	6%	0.061	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-53.4	-39.3	170.8	-61.4	0	0	0	0	111.5	L285 T287 L297 H299 I333 T441	L285-T439 HydrophobicContact CB-CG2 3.89Å; L285-T439 HydrophobicContact CD2-CG2 3.78Å; L285-T439 HydrophobicContact CG-CG2 4.24Å; T287-T439 VanDerWaalsContact CG2-CB 3.4Å; T287-T439 HydrophobicContact CG2-CG2 3.52Å; L297-T439 HydrophobicContact CB-CG2 4.32Å; H299-T439 PolarHBondContact CE1-O 2.86Å; H299-T439 PolarHBondContact NE2-O 2.77Å; I333-T439 HydrophobicContact CB-CG2 4.41Å; T439-T441 PolarHBondContact O-N 3Å
440	E	95.8	Very high	96.8	Very high	3 Å²	3	9.9 Å²	9.9	1%	0.014	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.2	177.6	-67.2	86.8	168	0	0	113.8	K295 L297 Q438 M499 A500 Y514 Y522 R552	K295-E440 IonicContact NZ-OE1 2.84Å; L297-E440 HydrophobicContact CD1-CG 4.01Å; L297-E440 HydrophobicContact CG-CG 4.13Å; Q438-E440 WeakPolarHBondContact CB-OE2 3.28Å; Q438-E440 PolarHBondContact O-N 2.94Å; E440-M499 CarbonylContact O-C 3.55Å; E440-M499 WeakPolarHBondContact O-CA 3.29Å; E440-A500 PolarHBondContact O-N 2.96Å; E440-Y514 HydrophobicContact CG-CE1 3.58Å; E440-Y514 HydrophobicContact CG-CE2 4.36Å; E440-Y514 VanDerWaalsContact CG-CZ 3.48Å; E440-Y514 WeakPolarHBondContact CG-OH 3.13Å; E440-Y514 PolarHBondContact OE1-OH 3.03Å; E440-Y522 WeakPolarHBondContact CB-OH 3.22Å; E440-R552 IonicContact OE1-NH1 3.75Å; E440-R552 IonicContact OE2-NH1 3.38Å; E440-R552 PolarHBondContact OE2-NH1 2.89Å; E440-R552 VanDerWaalsContact OE2-NH1 3.09Å
441	T	97.7	Very high	96.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-93.2	-16.5	-176	72.5	0	0	0	0	113.9	W437 Q438 T439 G443 C445 W496 G498	W437-T441 WeakPolarHBondContact CB-OG1 3.42Å; Q438-T441 HydrophobicContact CB-CG2 4.11Å; Q438-T441 HydrophobicContact CG-CG2 4.39Å; Q438-T441 PolarHBondContact N-OG1 2.75Å; Q438-T441 PolarHBondContact O-N 3.19Å; Q438-T441 PolarHBondContact O-OG1 3.27Å; T439-T441 PolarHBondContact O-N 3Å; T441-G443 PolarHBondContact O-N 3.37Å; T441-G443 PolarHBondContact OG1-O 3.3Å; T441-C445 WeakPolarHBondContact CB-SG 3.48Å; T441-W496 HydrophobicContact CG2-CH2 4.44Å; T441-W496 HydrophobicContact CG2-CZ2 3.77Å; T441-W496 PolarHBondContact O-NE1 2.88Å; T441-G498 CarbonylContact C-O 3.55Å; T441-G498 CarbonylContact O-C 3.53Å; T441-G498 VanDerWaalsContact O-C 3.24Å; T441-G498 VanDerWaalsContact O-O 3.06Å
442	G	98.1	Very high	96.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	70.7	-12.8	177.4	0	0	0	0	0	115.7	H299 S337 Q438 G498	H299-G442 VanDerWaalsContact CE1-CA 3.45Å; H299-G442 WeakPolarHBondContact CE1-CA 3.41Å; S337-G442 PolarHBondContact OG-O 3.39Å; Q438-G442 PolarHBondContact O-N 3.13Å; G442-G498 WeakPolarHBondContact CA-O 3.48Å
443	G	98.4	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-170.3	176.6	175.7	0	0	0	0	0	112.1	Y338 W437 T441 C445	Y338-G443 VanDerWaalsContact OH-CA 3.27Å; Y338-G443 WeakPolarHBondContact OH-CA 3.22Å; W437-G443 WeakPolarHBondContact CB-O 3.28Å; W437-G443 VanDerWaalsContact CE3-C 3.42Å; T441-G443 PolarHBondContact O-N 3.37Å; T441-G443 PolarHBondContact OG1-O 3.3Å; G443-C445 PolarHBondContact O-N 3Å; G443-C445 PolarHBondContact O-SG 3.48Å
444	I	98.7	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.			trans	-57.5	121.3	-177.7	-65.7	157.2	0	0	0	110.9	Y307 T311 V315 F316 Y338 T435 W437 A447	Y307-I444 PolarHBondContact OH-O 3.49Å; T311-I444 HydrophobicContact CG2-CB 4.35Å; T311-I444 WeakPolarHBondContact CG2-O 3.46Å; V315-I444 HydrophobicContact CB-CD1 4.26Å; V315-I444 HydrophobicContact CG1-CD1 4.16Å; V315-I444 HydrophobicContact CG2-CB 4.41Å; V315-I444 HydrophobicContact CG2-CD1 4.28Å; V315-I444 HydrophobicContact CG2-CG2 4.02Å; F316-I444 HydrophobicContact CE2-CD1 3.63Å; F316-I444 HydrophobicContact CZ-CD1 4.14Å; Y338-I444 HydrophobicContact CE1-CD1 3.94Å; Y338-I444 HydrophobicContact CE2-CD1 3.81Å; Y338-I444 HydrophobicContact CE2-CG1 3.74Å; Y338-I444 VanDerWaalsContact CZ-CD1 3.45Å; Y338-I444 WeakPolarHBondContact OH-CD1 3.49Å; Y338-I444 VanDerWaalsContact OH-CG1 3.25Å; Y338-I444 WeakPolarHBondContact OH-CG1 3.4Å; Y338-I444 PolarHBondContact OH-N 2.81Å; T435-I444 HydrophobicContact CG2-CD1 3.94Å; T435-I444 HydrophobicContact CG2-CG1 4.14Å; T435-I444 HydrophobicContact CG2-CG2 4.1Å; W437-I444 HydrophobicContact CG-CG1 4.23Å; I444-A447 HydrophobicContact CG2-CB 3.71Å
445	C	98.6	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.141	C	C	.	.			trans	-104.1	-33.6	-178.9	-71.1	0	0	0	0	113.2	W436 T441 G443 P465 F466 I469	W436-C445 HydrophobicContact CE3-CB 3.82Å; W436-C445 HydrophobicContact CZ3-CB 3.57Å; W436-C445 PolarHBondContact O-N 2.94Å; T441-C445 WeakPolarHBondContact CB-SG 3.48Å; G443-C445 PolarHBondContact O-N 3Å; G443-C445 PolarHBondContact O-SG 3.48Å; C445-P465 CarbonylContact O-C 3.55Å; C445-P465 WeakPolarHBondContact O-CA 3.36Å; C445-F466 PolarHBondContact O-N 2.92Å; C445-I469 HydrophobicContact CB-CD1 4.25Å; C445-I469 HydrophobicContact CB-CG1 4.07Å; C445-I469 HydrophobicContact CB-CG2 4.18Å
446	I	98.5	Very high	95.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.7	178.1	-53.3	174.7	0	0	0	107.9	W436 A462 R464 L490 Y536	W436-I446 HydrophobicContact CB-CB 4.37Å; W436-I446 HydrophobicContact CD2-CD1 4.42Å; W436-I446 HydrophobicContact CE3-CB 4.19Å; W436-I446 HydrophobicContact CE3-CD1 3.69Å; W436-I446 HydrophobicContact CE3-CG1 3.74Å; W436-I446 HydrophobicContact CZ3-CD1 4.08Å; W436-I446 HydrophobicContact CZ3-CG1 4.23Å; W436-I446 PolarHBondContact N-O 3.37Å; W436-I446 PolarHBondContact O-N 2.91Å; W436-I446 VanDerWaalsContact O-N 3.14Å; I446-A462 HydrophobicContact CB-CB 4.1Å; I446-A462 HydrophobicContact CG2-CB 3.6Å; I446-R464 CarbonylContact C-O 3.49Å; I446-R464 VanDerWaalsContact CA-O 3.28Å; I446-R464 WeakPolarHBondContact CA-O 3.5Å; I446-R464 WeakPolarHBondContact CG2-O 3.37Å; I446-L490 HydrophobicContact CD1-CD2 4.28Å; I446-Y536 HydrophobicContact CD1-CG 4.42Å
447	A	97.9	Very high	95.6	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	156.9	178.6	0	0	0	0	0	111.4	V315 T435 I444 R449 A462 R464	V315-A447 HydrophobicContact CG1-CB 3.81Å; V315-A447 HydrophobicContact CG2-CB 4.46Å; T435-A447 HydrophobicContact CG2-CB 4.01Å; I444-A447 HydrophobicContact CG2-CB 3.71Å; A447-R449 WeakPolarHBondContact CB-O 3.41Å; A447-R449 PolarHBondContact O-N 2.85Å; A447-R449 VanDerWaalsContact O-N 3.12Å; A447-A462 CarbonylContact C-O 3.54Å; A447-A462 WeakPolarHBondContact CA-O 3.35Å; A447-A462 PolarHBondContact N-O 2.76Å; A447-R464 PolarHBondContact N-O 2.74Å; A447-R464 WeakPolarHBondContact O-CB 3.4Å; A447-R464 PolarHBondContact O-N 3.43Å
448	P	97	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-61.6	-21.6	177.8	-26.5	34.2	0	0	0	114.3	D434 S451 I457 A462 M463 R464	D434-P448 WeakPolarHBondContact O-CD 3.45Å; P448-S451 PolarHBondContact O-OG 3.25Å; P448-I457 HydrophobicContact CB-CB 4.39Å; P448-I457 HydrophobicContact CB-CD1 4.11Å; P448-I457 HydrophobicContact CB-CG1 3.89Å; P448-I457 HydrophobicContact CB-CG2 3.92Å; P448-I457 HydrophobicContact CG-CG2 4Å; P448-A462 VanDerWaalsContact CD-O 3.24Å; P448-A462 WeakPolarHBondContact CD-O 3.24Å; P448-M463 HydrophobicContact CB-SD 3.92Å; P448-M463 HydrophobicContact CG-CG 4.37Å; P448-M463 HydrophobicContact CG-SD 4.07Å; P448-R464 PolarHBondContact O-NH1 2.94Å
449	R	97.3	Very high	95.1	Very high	46 Å²	46	32.5 Å²	32.5	17%	0.174	19%	0.191	C	C	.	.			trans	-123.9	152.4	178.6	-62	-62.9	179.7	-170.9	-0.9	110.4	T431 V433 A447 S451 E452 A455	T431-R449 HydrophobicContact CG2-CG 3.97Å; V433-R449 HydrophobicContact CG1-CB 3.88Å; V433-R449 HydrophobicContact CG1-CG 3.7Å; A447-R449 WeakPolarHBondContact CB-O 3.41Å; A447-R449 PolarHBondContact O-N 2.85Å; A447-R449 VanDerWaalsContact O-N 3.12Å; R449-S451 WeakPolarHBondContact CD-OG 3.25Å; R449-S451 PolarHBondContact NH1-OG 2.95Å; R449-E452 PolarHBondContact NH1-O 3.49Å; R449-A455 PolarHBondContact NH2-O 3.44Å
450	P	96.2	Very high	94.4	Very high	23 Å²	23	32.7 Å²	32.7	15%	0.149	20%	0.195	C	C	.	.	S	Bend	cis	-68.8	152	-2	30.5	-35.5	0	0	0	112.2	Y51 L314 F466 F467	Y51-P450 HydrophobicContact CD2-CG 4.43Å; Y51-P450 VanDerWaalsContact CD2-O 3.24Å; Y51-P450 WeakPolarHBondContact CD2-O 3.21Å; L314-P450 HydrophobicContact CB-CB 4.45Å; L314-P450 HydrophobicContact CB-CG 4.31Å; P450-F466 HydrophobicContact CG-CD2 4.28Å; P450-F466 HydrophobicContact CG-CE2 4.1Å; P450-F467 HydrophobicContact CB-CZ 4.48Å; P450-F467 HydrophobicContact CG-CE1 4.44Å; P450-F467 HydrophobicContact CG-CE2 3.9Å; P450-F467 HydrophobicContact CG-CZ 3.8Å
451	S	95.2	Very high	94	Very high	19 Å²	19	33.5 Å²	33.5	13%	0.133	20%	0.199	C	C	.	.			trans	-163.9	173.4	173.9	47	0	0	0	0	108.5	P448 R449	P448-S451 PolarHBondContact O-OG 3.25Å; R449-S451 WeakPolarHBondContact CD-OG 3.25Å; R449-S451 PolarHBondContact NH1-OG 2.95Å
452	E	93.2	Very high	93.7	Very high	72 Å²	72	33.6 Å²	33.6	34%	0.336	20%	0.2	S	C	.	.			trans	-56.1	150.7	176.4	-70.6	60.9	-145.5	0	0	112	S50 Y51 P52 R449 G454 A455	S50-E452 WeakPolarHBondContact CB-OE1 3.39Å; Y51-E452 WeakPolarHBondContact CB-OE1 3.34Å; Y51-E452 PolarHBondContact N-OE1 3.16Å; P52-E452 WeakPolarHBondContact CD-OE1 3.41Å; R449-E452 PolarHBondContact NH1-O 3.49Å; E452-G454 PolarHBondContact O-N 3.25Å; E452-A455 HydrophobicContact CB-CB 4.34Å; E452-A455 WeakPolarHBondContact O-CB 3.24Å; E452-A455 PolarHBondContact O-N 3.18Å
453	D	88.1	Confident	93.5	Very high	166 Å²	166	33.6 Å²	33.6	89%	0.888	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	131	170.9	-70.7	-13.3	0	0	0	110	A455	D453-A455 PolarHBondContact O-N 3.43Å
454	G	89.1	Confident	93.5	Very high	78 Å²	78	34.4 Å²	34.4	80%	0.804	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-2.3	-177.4	0	0	0	0	0	115.8	E452	E452-G454 PolarHBondContact O-N 3.25Å
455	A	94	Very high	93.4	Very high	16 Å²	16	35.3 Å²	35.3	13%	0.132	21%	0.209	C	C	.	.			trans	-56.5	141.5	172.7	0	0	0	0	0	111.3	R449 E452 D453	R449-A455 PolarHBondContact NH2-O 3.44Å; E452-A455 HydrophobicContact CB-CB 4.34Å; E452-A455 WeakPolarHBondContact O-CB 3.24Å; E452-A455 PolarHBondContact O-N 3.18Å; D453-A455 PolarHBondContact O-N 3.43Å
456	E	94.6	Very high	93.4	Very high	98 Å²	98	35.5 Å²	35.5	46%	0.458	21%	0.209	S	C	.	.			trans	-67.4	148.7	-175.8	71	-81.7	-166.3	0	0	112.4	L458 M463 R464 Y535	E456-L458 HydrophobicContact CG-CD2 4.46Å; E456-M463 HydrophobicContact CG-CE 4.31Å; E456-M463 WeakPolarHBondContact O-CE 3.32Å; E456-R464 PolarHBondContact O-NH1 3.5Å; E456-R464 PolarHBondContact O-NH2 3.46Å; E456-R464 IonicContact OE1-NH2 3.53Å; E456-R464 IonicContact OE2-NH2 2.72Å; E456-Y535 VanDerWaalsContact CD-OH 3.25Å; E456-Y535 HydrophobicContact CG-CE2 4.42Å; E456-Y535 WeakPolarHBondContact OE1-CE2 3.39Å; E456-Y535 VanDerWaalsContact OE1-CZ 3.28Å; E456-Y535 PolarHBondContact OE1-OH 3.17Å
457	I	95.6	Very high	93.4	Very high	38 Å²	38	35.9 Å²	35.9	20%	0.195	21%	0.211	C	C	.	.			trans	-121.9	111.2	171.3	-60.8	-175.3	0	0	0	107.2	W418 T431 L432 P448 M463	W418-I457 HydrophobicContact CZ2-CG2 4.08Å; T431-I457 HydrophobicContact CG2-CD1 3.68Å; L432-I457 WeakPolarHBondContact O-CG2 3.28Å; P448-I457 HydrophobicContact CB-CB 4.39Å; P448-I457 HydrophobicContact CB-CD1 4.11Å; P448-I457 HydrophobicContact CB-CG1 3.89Å; P448-I457 HydrophobicContact CB-CG2 3.92Å; P448-I457 HydrophobicContact CG-CG2 4Å; I457-M463 HydrophobicContact CG2-SD 4.48Å
458	L	91.5	Very high	93.3	Very high	59 Å²	59	35.9 Å²	35.9	31%	0.309	21%	0.211	S	C	.	.			trans	-81	136.9	179.3	-62.2	-179.3	0	0	0	110.4	E456 G460 M461 M463 Y535	E456-L458 HydrophobicContact CG-CD2 4.46Å; L458-G460 PolarHBondContact O-N 2.81Å; L458-M461 HydrophobicContact CB-CB 4.22Å; L458-M461 HydrophobicContact CB-SD 4.36Å; L458-M461 HydrophobicContact CD1-CE 4.18Å; L458-M461 HydrophobicContact CD1-SD 3.85Å; L458-M463 HydrophobicContact CB-CE 4.14Å; L458-M463 HydrophobicContact CB-CG 4.49Å; L458-M463 HydrophobicContact CB-SD 4.06Å; L458-M463 HydrophobicContact CD1-CE 4.13Å; L458-M463 HydrophobicContact CG-CE 3.72Å; L458-M463 HydrophobicContact CG-SD 4.32Å; L458-M463 PolarHBondContact N-SD 3.34Å; L458-Y535 HydrophobicContact CD1-CD2 3.63Å; L458-Y535 HydrophobicContact CD1-CE2 4.15Å
459	P	86.9	Confident	93.4	Very high	52 Å²	52	36 Å²	36	34%	0.338	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	129.5	179.5	-28.4	36.3	0	0	0	114.2	H415 W418 M461	H415-P459 WeakPolarHBondContact ND1-CB 3.11Å; W418-P459 HydrophobicContact CD2-CB 3.74Å; W418-P459 HydrophobicContact CD2-CG 4.45Å; W418-P459 HydrophobicContact CE3-CB 3.49Å; W418-P459 VanDerWaalsContact CE3-CB 3.49Å; W418-P459 HydrophobicContact CE3-CG 3.87Å; W418-P459 HydrophobicContact CG-CB 4.34Å; W418-P459 HydrophobicContact CH2-CB 4.32Å; W418-P459 HydrophobicContact CH2-CG 4Å; W418-P459 HydrophobicContact CZ2-CB 4.48Å; W418-P459 HydrophobicContact CZ3-CB 3.82Å; W418-P459 HydrophobicContact CZ3-CG 3.64Å; P459-M461 VanDerWaalsContact C-N 3.26Å; P459-M461 PolarHBondContact O-N 3.3Å
460	G	80.7	Confident	93.4	Very high	14 Å²	14	35.7 Å²	35.7	14%	0.144	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	28.7	173.5	0	0	0	0	0	115.1	L458	L458-G460 PolarHBondContact O-N 2.81Å
461	M	86.9	Confident	93.5	Very high	20 Å²	20	35.2 Å²	35.2	10%	0.099	21%	0.212	C	C	.	.			trans	-126.4	135.5	-179.9	-169	-179.4	-70.6	0	0	110.2	L458 P459 M463 T531 Y536 Q537	L458-M461 HydrophobicContact CB-CB 4.22Å; L458-M461 HydrophobicContact CB-SD 4.36Å; L458-M461 HydrophobicContact CD1-CE 4.18Å; L458-M461 HydrophobicContact CD1-SD 3.85Å; P459-M461 VanDerWaalsContact C-N 3.26Å; P459-M461 PolarHBondContact O-N 3.3Å; M461-M463 HydrophobicContact CB-CG 3.95Å; M461-M463 HydrophobicContact CG-CG 3.84Å; M461-M463 WeakPolarHBondContact O-CG 3.41Å; M461-M463 HydrophobicContact SD-CG 4.1Å; M461-T531 HydrophobicContact CE-CG2 3.94Å; M461-T531 HydrophobicContact SD-CG2 4.25Å; M461-Y536 WeakPolarHBondContact CG-O 3.44Å; M461-Q537 HydrophobicContact CE-CB 4.04Å; M461-Q537 HydrophobicContact CE-CG 4.46Å; M461-Q537 HydrophobicContact CG-CB 3.94Å; M461-Q537 HydrophobicContact CG-CG 4.36Å; M461-Q537 HydrophobicContact SD-CB 4.43Å
462	A	90.6	Very high	93.6	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	21%	0.21	C	C	.	.			trans	-70.8	-32	176.3	0	0	0	0	0	112.2	D434 W436 I446 A447 P448 R464	D434-A462 WeakPolarHBondContact O-CA 3.38Å; W436-A462 HydrophobicContact CB-CB 4Å; I446-A462 HydrophobicContact CB-CB 4.1Å; I446-A462 HydrophobicContact CG2-CB 3.6Å; A447-A462 CarbonylContact C-O 3.54Å; A447-A462 WeakPolarHBondContact CA-O 3.35Å; A447-A462 PolarHBondContact N-O 2.76Å; P448-A462 VanDerWaalsContact CD-O 3.24Å; P448-A462 WeakPolarHBondContact CD-O 3.24Å; A462-R464 PolarHBondContact O-N 2.87Å
463	M	94.8	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	69.3	-87.8	172.3	-51.5	-179.8	72.9	0	0	115.8	P448 E456 I457 L458 M461 Y535 Y536	P448-M463 HydrophobicContact CB-SD 3.92Å; P448-M463 HydrophobicContact CG-CG 4.37Å; P448-M463 HydrophobicContact CG-SD 4.07Å; E456-M463 HydrophobicContact CG-CE 4.31Å; E456-M463 WeakPolarHBondContact O-CE 3.32Å; I457-M463 HydrophobicContact CG2-SD 4.48Å; L458-M463 HydrophobicContact CB-CE 4.14Å; L458-M463 HydrophobicContact CB-CG 4.49Å; L458-M463 HydrophobicContact CB-SD 4.06Å; L458-M463 HydrophobicContact CD1-CE 4.13Å; L458-M463 HydrophobicContact CG-CE 3.72Å; L458-M463 HydrophobicContact CG-SD 4.32Å; L458-M463 PolarHBondContact N-SD 3.34Å; M461-M463 HydrophobicContact CB-CG 3.95Å; M461-M463 HydrophobicContact CG-CG 3.84Å; M461-M463 WeakPolarHBondContact O-CG 3.41Å; M461-M463 HydrophobicContact SD-CG 4.1Å; M463-Y535 HydrophobicContact CB-CD1 4.02Å; M463-Y535 HydrophobicContact CB-CG 4.28Å; M463-Y535 HydrophobicContact CE-CD1 3.98Å; M463-Y535 HydrophobicContact CE-CD2 3.81Å; M463-Y535 HydrophobicContact CE-CE1 3.91Å; M463-Y535 HydrophobicContact CE-CE2 3.71Å; M463-Y535 HydrophobicContact CE-CG 3.95Å; M463-Y536 PolarHBondContact N-O 2.92Å; M463-Y536 PolarHBondContact O-N 2.9Å
464	R	97.5	Very high	94.1	Very high	16 Å²	16	24.1 Å²	24.1	6%	0.06	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.4	-158.6	-62.9	179.9	-175.1	85.7	4.6	111.5	I446 A447 P448 E456 A462 Y535	I446-R464 CarbonylContact C-O 3.49Å; I446-R464 VanDerWaalsContact CA-O 3.28Å; I446-R464 WeakPolarHBondContact CA-O 3.5Å; I446-R464 WeakPolarHBondContact CG2-O 3.37Å; A447-R464 PolarHBondContact N-O 2.74Å; A447-R464 WeakPolarHBondContact O-CB 3.4Å; A447-R464 PolarHBondContact O-N 3.43Å; P448-R464 PolarHBondContact O-NH1 2.94Å; E456-R464 PolarHBondContact O-NH1 3.5Å; E456-R464 PolarHBondContact O-NH2 3.46Å; E456-R464 IonicContact OE1-NH2 3.53Å; E456-R464 IonicContact OE2-NH2 2.72Å; A462-R464 PolarHBondContact O-N 2.87Å; R464-Y535 HydrophobicContact CG-CD1 4.07Å; R464-Y535 HydrophobicContact CG-CE1 3.94Å; R464-Y535 PolarHBondContact NH2-OH 3.47Å
465	P	98.1	Very high	93.9	Very high	19 Å²	19	22.5 Å²	22.5	12%	0.123	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.8	173.5	-20.2	34.1	0	0	0	111	Y51 C445 I469 P471 Y536	Y51-P465 WeakPolarHBondContact CE2-O 3.45Å; Y51-P465 PolarHBondContact OH-O 3.3Å; C445-P465 CarbonylContact O-C 3.55Å; C445-P465 WeakPolarHBondContact O-CA 3.36Å; P465-I469 HydrophobicContact CB-CB 4.17Å; P465-I469 HydrophobicContact CB-CG2 4.23Å; P465-I469 VanDerWaalsContact CB-O 3.25Å; P465-I469 WeakPolarHBondContact CB-O 3.38Å; P465-P471 HydrophobicContact CB-CG 4.13Å; P465-P471 HydrophobicContact CG-CG 3.48Å; P465-P471 VanDerWaalsContact CG-CG 3.48Å; P465-Y536 HydrophobicContact CG-CD2 4.19Å; P465-Y536 HydrophobicContact CG-CE2 4.11Å
466	F	98.3	Very high	93.3	Very high	4 Å²	4	31 Å²	31	2%	0.018	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-66.8	160.8	168.9	-165.9	-101	0	0	0	110.1	W66 Y307 M310 T311 L314 V315 C445 P450 G468 I469	W66-F466 HydrophobicContact CH2-CE1 4.2Å; Y307-F466 AromaticContact CE2-CD1 3.86Å; Y307-F466 HydrophobicContact CE2-CD1 3.86Å; Y307-F466 HydrophobicContact CE2-CE1 4.19Å; M310-F466 HydrophobicContact CB-CZ 4.35Å; T311-F466 HydrophobicContact CG2-CD1 3.76Å; T311-F466 HydrophobicContact CG2-CD2 4.22Å; T311-F466 HydrophobicContact CG2-CE1 3.59Å; T311-F466 HydrophobicContact CG2-CE2 4.09Å; T311-F466 HydrophobicContact CG2-CG 4.06Å; T311-F466 HydrophobicContact CG2-CZ 3.77Å; L314-F466 HydrophobicContact CB-CE2 4.02Å; L314-F466 HydrophobicContact CB-CZ 4.33Å; L314-F466 HydrophobicContact CD1-CE2 4.33Å; L314-F466 HydrophobicContact CD1-CZ 4Å; V315-F466 HydrophobicContact CG2-CD2 3.93Å; V315-F466 HydrophobicContact CG2-CE2 3.94Å; C445-F466 PolarHBondContact O-N 2.92Å; P450-F466 HydrophobicContact CG-CD2 4.28Å; P450-F466 HydrophobicContact CG-CE2 4.1Å; F466-G468 PolarHBondContact O-N 3.48Å; F466-I469 HydrophobicContact CB-CG1 4.29Å; F466-I469 WeakPolarHBondContact O-CB 3.24Å; F466-I469 PolarHBondContact O-N 2.9Å
467	F	97.6	Very high	92.8	Very high	10 Å²	10	35 Å²	35	4%	0.044	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	135	179.9	-55.3	-43.7	0	0	0	111.9	Y51 L54 A58 F65 W66 L314 P450 I469	Y51-F467 HydrophobicContact CD2-CD1 4.38Å; Y51-F467 AromaticContact CD2-CE1 3.52Å; Y51-F467 HydrophobicContact CD2-CE1 3.52Å; Y51-F467 HydrophobicContact CD2-CZ 4.13Å; Y51-F467 HydrophobicContact CE2-CD1 4.4Å; Y51-F467 AromaticContact CE2-CE1 3.97Å; Y51-F467 HydrophobicContact CE2-CE1 3.97Å; Y51-F467 HydrophobicContact CG-CE1 4.41Å; L54-F467 HydrophobicContact CB-CD1 4.03Å; L54-F467 HydrophobicContact CB-CE1 3.54Å; L54-F467 HydrophobicContact CB-CE2 4.37Å; L54-F467 HydrophobicContact CB-CZ 3.74Å; L54-F467 HydrophobicContact CD1-CE1 4.42Å; L54-F467 HydrophobicContact CD1-CE2 4.18Å; L54-F467 HydrophobicContact CD1-CZ 3.77Å; L54-F467 HydrophobicContact CG-CZ 4.43Å; A58-F467 HydrophobicContact CB-CB 4Å; F65-F467 HydrophobicContact CE1-CB 3.71Å; F65-F467 HydrophobicContact CE1-CG 4.39Å; F65-F467 HydrophobicContact CZ-CB 3.59Å; F65-F467 AromaticContact CZ-CD2 3.79Å; F65-F467 HydrophobicContact CZ-CD2 3.79Å; F65-F467 AromaticContact CZ-CG 3.78Å; F65-F467 HydrophobicContact CZ-CG 3.78Å; W66-F467 VanDerWaalsContact CZ2-O 3.25Å; W66-F467 WeakPolarHBondContact CZ2-O 3.25Å; L314-F467 HydrophobicContact CD1-CD2 4.19Å; L314-F467 HydrophobicContact CD1-CE2 3.87Å; P450-F467 HydrophobicContact CB-CZ 4.48Å; P450-F467 HydrophobicContact CG-CE1 4.44Å; P450-F467 HydrophobicContact CG-CE2 3.9Å; P450-F467 HydrophobicContact CG-CZ 3.8Å; F467-I469 PolarHBondContact O-N 2.72Å
468	G	96.8	Very high	92.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-7.8	-178.4	0	0	0	0	0	115.1	A58 F466 Q494	A58-G468 VanDerWaalsContact CB-N 3.28Å; F466-G468 PolarHBondContact O-N 3.48Å; G468-Q494 PolarHBondContact O-NE2 3.3Å
469	I	98.5	Very high	92.6	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.194	C	C	.	.			trans	-88.5	116.1	172.1	-55.8	-59.4	0	0	0	108.6	Y307 C445 P465 F466 F467 P471 I492 W496	Y307-I469 WeakPolarHBondContact OH-CD1 3.46Å; Y307-I469 WeakPolarHBondContact OH-CG1 3.18Å; C445-I469 HydrophobicContact CB-CD1 4.25Å; C445-I469 HydrophobicContact CB-CG1 4.07Å; C445-I469 HydrophobicContact CB-CG2 4.18Å; P465-I469 HydrophobicContact CB-CB 4.17Å; P465-I469 HydrophobicContact CB-CG2 4.23Å; P465-I469 VanDerWaalsContact CB-O 3.25Å; P465-I469 WeakPolarHBondContact CB-O 3.38Å; F466-I469 HydrophobicContact CB-CG1 4.29Å; F466-I469 WeakPolarHBondContact O-CB 3.24Å; F466-I469 PolarHBondContact O-N 2.9Å; F467-I469 PolarHBondContact O-N 2.72Å; I469-P471 WeakPolarHBondContact O-CD 3.4Å; I469-I492 HydrophobicContact CG2-CD1 4.23Å; I469-I492 HydrophobicContact CG2-CG1 4.43Å; I469-I492 HydrophobicContact CG2-CG2 4.39Å; I469-W496 HydrophobicContact CD1-CB 3.91Å; I469-W496 HydrophobicContact CD1-CD2 3.39Å; I469-W496 HydrophobicContact CD1-CE3 3.75Å; I469-W496 HydrophobicContact CD1-CG 3.45Å; I469-W496 VanDerWaalsContact CD1-CG 3.45Å
470	V	97.8	Very high	93.1	Very high	39 Å²	39	36 Å²	36	24%	0.236	19%	0.192	C	C	.	.			trans	-117	88	179.7	-173.1	0	0	0	0	108.4	A59 I492 S493 Q494	A59-V470 HydrophobicContact CB-CG2 3.68Å; V470-I492 WeakPolarHBondContact O-CA 3.15Å; V470-S493 WeakPolarHBondContact CB-OG 3.38Å; V470-S493 VanDerWaalsContact CG1-OG 3.27Å; V470-S493 WeakPolarHBondContact CG1-OG 3.27Å; V470-S493 PolarHBondContact O-N 3.38Å; V470-S493 PolarHBondContact O-OG 3.07Å; V470-Q494 HydrophobicContact CB-CG 4.19Å; V470-Q494 HydrophobicContact CG2-CG 3.89Å
471	P	97.9	Very high	93.7	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.078	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145.2	-179.3	28.6	-31.5	0	0	0	111.7	P465 I469 L490 C491 Y536	P465-P471 HydrophobicContact CB-CG 4.13Å; P465-P471 HydrophobicContact CG-CG 3.48Å; P465-P471 VanDerWaalsContact CG-CG 3.48Å; I469-P471 WeakPolarHBondContact O-CD 3.4Å; P471-L490 HydrophobicContact CB-CD1 3.8Å; P471-C491 CarbonylContact C-O 3.54Å; P471-C491 VanDerWaalsContact CA-O 3.29Å; P471-C491 WeakPolarHBondContact CA-O 3.16Å; P471-Y536 HydrophobicContact CB-CD1 4.41Å; P471-Y536 HydrophobicContact CB-CE1 3.83Å; P471-Y536 HydrophobicContact CB-CE2 4.35Å; P471-Y536 HydrophobicContact CG-CD1 4.45Å; P471-Y536 HydrophobicContact CG-CD2 4.1Å; P471-Y536 HydrophobicContact CG-CE1 3.89Å; P471-Y536 HydrophobicContact CG-CE2 3.49Å; P471-Y536 VanDerWaalsContact CG-CE2 3.49Å; P471-Y536 PolarHBondContact O-OH 3.31Å
472	V	97.9	Very high	94	Very high	18 Å²	18	43.6 Å²	43.6	11%	0.109	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.7	169.8	-59.9	0	0	0	0	108.9	M474 V480 C491 Y521	V472-M474 HydrophobicContact CG2-CG 4.38Å; V472-M474 HydrophobicContact CG2-SD 4.16Å; V472-V480 HydrophobicContact CB-CG1 4.46Å; V472-C491 HydrophobicContact CG2-CB 3.79Å; V472-C491 PolarHBondContact N-O 3.08Å; V472-C491 PolarHBondContact O-N 2.87Å; V472-Y521 HydrophobicContact CG1-CE1 4.43Å; V472-Y521 HydrophobicContact CG2-CD1 3.58Å; V472-Y521 HydrophobicContact CG2-CE1 3.76Å
473	L	95.9	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130	173.1	-59.4	-174.6	0	0	0	108.6	L481 V486 A489 L490 A528 R530 Y536	L473-L481 HydrophobicContact CB-CB 4.29Å; L473-L481 HydrophobicContact CB-CD1 4.32Å; L473-L481 WeakPolarHBondContact O-CB 3.28Å; L473-L481 PolarHBondContact O-N 3.01Å; L473-V486 HydrophobicContact CD1-CG2 4.16Å; L473-V486 VanDerWaalsContact CD1-O 3.3Å; L473-V486 WeakPolarHBondContact CD1-O 3.33Å; L473-A489 WeakPolarHBondContact CA-O 3.37Å; L473-L490 HydrophobicContact CD2-CB 4.33Å; L473-L490 HydrophobicContact CD2-CD1 3.91Å; L473-A528 WeakPolarHBondContact CD1-O 3.44Å; L473-A528 HydrophobicContact CD2-CB 3.86Å; L473-R530 HydrophobicContact CD1-CB 3.62Å; L473-Y536 HydrophobicContact CD1-CE1 4.49Å; L473-Y536 HydrophobicContact CD2-CD1 4.42Å; L473-Y536 HydrophobicContact CD2-CE1 4.11Å; L473-Y536 HydrophobicContact CG-CE1 4.17Å
474	M	94.5	Very high	93.9	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.7	-177.6	-56.5	-69.2	-83.7	0	0	110.7	V472 G478 N479 V480 G488 A489 C491 Y518 Y521	V472-M474 HydrophobicContact CG2-CG 4.38Å; V472-M474 HydrophobicContact CG2-SD 4.16Å; M474-G478 WeakPolarHBondContact CE-O 3.2Å; M474-N479 WeakPolarHBondContact CA-O 3.38Å; M474-V480 HydrophobicContact CE-CG2 4.48Å; M474-V480 HydrophobicContact SD-CB 4.32Å; M474-V480 HydrophobicContact SD-CG2 3.64Å; M474-G488 WeakPolarHBondContact O-CA 3.41Å; M474-A489 HydrophobicContact CB-CB 4.28Å; M474-A489 PolarHBondContact N-O 2.89Å; M474-A489 PolarHBondContact O-N 3.47Å; M474-C491 HydrophobicContact CG-CB 4.23Å; M474-Y518 HydrophobicContact CB-CD1 3.79Å; M474-Y518 HydrophobicContact CB-CE1 3.56Å; M474-Y518 HydrophobicContact CB-CE2 4.47Å; M474-Y518 HydrophobicContact CB-CG 4.34Å; M474-Y518 HydrophobicContact CE-CD1 3.77Å; M474-Y518 HydrophobicContact CE-CG 4.28Å; M474-Y518 HydrophobicContact CG-CD1 3.96Å; M474-Y518 HydrophobicContact CG-CE1 4.25Å; M474-Y518 HydrophobicContact CG-CG 4.16Å; M474-Y521 HydrophobicContact CE-CD2 4.13Å; M474-Y521 HydrophobicContact CE-CE2 4.07Å
475	D	86.2	Confident	93.6	Very high	44 Å²	44	51.8 Å²	51.8	24%	0.235	29%	0.289	C	S	.	.			trans	-79.3	172.8	167.4	75.8	9.6	0	0	0	111.8	K477 G478 N479 L481 Y518	D475-K477 PolarHBondContact O-N 2.95Å; D475-K477 VanDerWaalsContact O-N 3.12Å; D475-K477 VanDerWaalsContact OD1-C 3.3Å; D475-K477 VanDerWaalsContact OD1-CA 3.29Å; D475-K477 WeakPolarHBondContact OD1-CA 3.4Å; D475-K477 WeakPolarHBondContact OD1-CB 3.44Å; D475-K477 PolarHBondContact OD1-N 3.48Å; D475-G478 PolarHBondContact O-N 2.91Å; D475-G478 PolarHBondContact OD1-N 2.78Å; D475-N479 PolarHBondContact N-O 2.69Å; D475-N479 PolarHBondContact OD1-N 2.68Å; D475-N479 PolarHBondContact OD1-ND2 3.25Å; D475-N479 PolarHBondContact OD2-ND2 2.84Å; D475-L481 HydrophobicContact CB-CD2 4.02Å; D475-L481 HydrophobicContact CB-CG 4.29Å; D475-Y518 WeakPolarHBondContact O-CE1 3.23Å
476	E	80.6	Confident	93.2	Very high	195 Å²	195	52.3 Å²	52.3	91%	0.911	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.4	178.7	-61.8	-176.4	163.9	0	0	114
477	K	83.4	Confident	92.7	Very high	182 Å²	182	55.7 Å²	55.7	79%	0.791	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-4	177.9	-63.2	176.2	-178.4	174.3	0	112.2	D475 N479	D475-K477 PolarHBondContact O-N 2.95Å; D475-K477 VanDerWaalsContact O-N 3.12Å; D475-K477 VanDerWaalsContact OD1-C 3.3Å; D475-K477 VanDerWaalsContact OD1-CA 3.29Å; D475-K477 WeakPolarHBondContact OD1-CA 3.4Å; D475-K477 WeakPolarHBondContact OD1-CB 3.44Å; D475-K477 PolarHBondContact OD1-N 3.48Å; K477-N479 WeakPolarHBondContact CB-ND2 3.14Å
478	G	89.1	Confident	92.1	Very high	33 Å²	33	56 Å²	56	34%	0.34	32%	0.323	S	S	.	.	S	Bend	trans	81.3	21.1	-177.8	0	0	0	0	0	114.4	M474 D475	M474-G478 WeakPolarHBondContact CE-O 3.2Å; D475-G478 PolarHBondContact O-N 2.91Å; D475-G478 PolarHBondContact OD1-N 2.78Å
479	N	94.1	Very high	91.9	Very high	89 Å²	89	56 Å²	56	48%	0.476	32%	0.323	S	S	.	.			trans	-89.9	144	171.1	-50	-63.6	0	0	0	110.6	M474 D475 K477 L481	M474-N479 WeakPolarHBondContact CA-O 3.38Å; D475-N479 PolarHBondContact N-O 2.69Å; D475-N479 PolarHBondContact OD1-N 2.68Å; D475-N479 PolarHBondContact OD1-ND2 3.25Å; D475-N479 PolarHBondContact OD2-ND2 2.84Å; K477-N479 WeakPolarHBondContact CB-ND2 3.14Å; N479-L481 PolarHBondContact O-N 2.82Å
480	V	97.3	Very high	91.8	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-68.8	128.4	171	178.8	0	0	0	0	109.1	V472 M474 E482	V472-V480 HydrophobicContact CB-CG1 4.46Å; M474-V480 HydrophobicContact CE-CG2 4.48Å; M474-V480 HydrophobicContact SD-CB 4.32Å; M474-V480 HydrophobicContact SD-CG2 3.64Å; V480-E482 PolarHBondContact O-N 3.04Å
481	L	93.2	Very high	91.8	Very high	43 Å²	43	54 Å²	54	23%	0.225	31%	0.311	C	S	.	.			trans	-82.1	112.3	171.6	-65.4	172.5	0	0	0	109.1	L473 D475 N479 V486 S487 R530	L473-L481 HydrophobicContact CB-CB 4.29Å; L473-L481 HydrophobicContact CB-CD1 4.32Å; L473-L481 WeakPolarHBondContact O-CB 3.28Å; L473-L481 PolarHBondContact O-N 3.01Å; D475-L481 HydrophobicContact CB-CD2 4.02Å; D475-L481 HydrophobicContact CB-CG 4.29Å; N479-L481 PolarHBondContact O-N 2.82Å; L481-V486 HydrophobicContact CB-CB 4.2Å; L481-V486 HydrophobicContact CB-CG2 4.09Å; L481-S487 VanDerWaalsContact CD1-O 3.25Å; L481-S487 WeakPolarHBondContact CD1-O 3.29Å; L481-R530 PolarHBondContact O-NH2 2.81Å
482	E	94.8	Very high	91.8	Very high	150 Å²	150	53.5 Å²	53.5	70%	0.701	31%	0.307	S	S	*	.			trans	-85.8	159.9	179.6	-65.4	-66.3	170.6	0	0	112.1	V480	V480-E482 PolarHBondContact O-N 3.04Å
483	G	91.1	Very high	91.8	Very high	47 Å²	47	54.5 Å²	54.5	49%	0.485	32%	0.315	S	S	.	.	S	Bend	trans	80.7	-176.5	174.2	0	0	0	0	0	115.5	R530	G483-R530 VanDerWaalsContact O-CZ 3.24Å; G483-R530 PolarHBondContact O-NE 2.88Å; G483-R530 PolarHBondContact O-NH2 3.4Å
484	G	90.3	Very high	91.8	Very high	37 Å²	37	56.1 Å²	56.1	38%	0.381	32%	0.322	S	S	.	.	S	Bend	trans	-90.6	165.1	174.2	0	0	0	0	0	112.3
485	D	91.1	Very high	91.9	Very high	105 Å²	105	56 Å²	56	56%	0.561	32%	0.322	S	S	*	.	S	Bend	trans	60.2	48.3	179	-159.5	35	0	0	0	114.7	H529 R530 E532	D485-H529 IonicContact OD1-CD2 2.66Å; D485-H529 IonicContact OD1-CE1 2.76Å; D485-H529 IonicContact OD1-NE2 2.63Å; D485-H529 PolarHBondContact OD1-NE2 2.86Å; D485-R530 WeakPolarHBondContact CA-O 3.4Å; D485-R530 PolarHBondContact N-O 3.09Å; D485-E532 HydrophobicContact CB-CG 4.11Å
486	V	91.1	Very high	92.5	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.188	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.9	179.9	-66.8	0	0	0	0	111.2	L473 L481 H529 R530	L473-V486 HydrophobicContact CD1-CG2 4.16Å; L473-V486 VanDerWaalsContact CD1-O 3.3Å; L473-V486 WeakPolarHBondContact CD1-O 3.33Å; L481-V486 HydrophobicContact CB-CB 4.2Å; L481-V486 HydrophobicContact CB-CG2 4.09Å; V486-H529 CarbonylContact O-C 3.51Å; V486-H529 WeakPolarHBondContact O-CA 3.45Å; V486-H529 PolarHBondContact O-CD2 3.29Å; V486-R530 HydrophobicContact CG2-CB 4.36Å; V486-R530 PolarHBondContact N-O 2.86Å; V486-R530 VanDerWaalsContact N-O 3.13Å; V486-R530 PolarHBondContact O-N 2.96Å
487	S	86.6	Confident	93.3	Very high	75 Å²	75	44.6 Å²	44.6	52%	0.524	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.3	177.2	-65.2	0	0	0	0	110.9	L481 A528 H529	L481-S487 VanDerWaalsContact CD1-O 3.25Å; L481-S487 WeakPolarHBondContact CD1-O 3.29Å; S487-A528 WeakPolarHBondContact CA-O 3.06Å; S487-H529 PolarHBondContact OG-CD2 2.86Å
488	G	86.6	Confident	94.1	Very high	17 Å²	17	35.9 Å²	35.9	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	-169.6	179.7	0	0	0	0	0	113.2	M474 L490 G527 A528	M474-G488 WeakPolarHBondContact O-CA 3.41Å; G488-L490 PolarHBondContact O-N 3.14Å; G488-G527 WeakPolarHBondContact O-CA 3.46Å; G488-A528 PolarHBondContact N-O 2.88Å; G488-A528 PolarHBondContact O-N 2.92Å
489	A	92.7	Very high	94.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	121.2	175.7	0	0	0	0	0	110.7	L473 M474 C491 Y518 F523 M542	L473-A489 WeakPolarHBondContact CA-O 3.37Å; M474-A489 HydrophobicContact CB-CB 4.28Å; M474-A489 PolarHBondContact N-O 2.89Å; M474-A489 PolarHBondContact O-N 3.47Å; A489-C491 PolarHBondContact O-N 3.02Å; A489-Y518 HydrophobicContact CB-CE2 3.59Å; A489-Y518 VanDerWaalsContact CB-OH 3.29Å; A489-Y518 WeakPolarHBondContact CB-OH 3.34Å; A489-F523 HydrophobicContact CB-CD2 4.36Å; A489-F523 HydrophobicContact CB-CE2 3.78Å; A489-M542 WeakPolarHBondContact CA-SD 3.17Å; A489-M542 HydrophobicContact CB-CE 3.98Å; A489-M542 HydrophobicContact CB-SD 3.61Å
490	L	95.9	Very high	94.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114.8	178.1	180	63.8	0	0	0	109.3	W436 I446 P471 L473 G488 T524 D526 A528 Y536 I538	W436-L490 HydrophobicContact CD2-CD2 4.36Å; W436-L490 HydrophobicContact CE3-CD2 4.41Å; W436-L490 HydrophobicContact CH2-CD2 3.77Å; W436-L490 HydrophobicContact CZ2-CD2 3.66Å; W436-L490 HydrophobicContact CZ3-CD2 4.13Å; I446-L490 HydrophobicContact CD1-CD2 4.28Å; P471-L490 HydrophobicContact CB-CD1 3.8Å; L473-L490 HydrophobicContact CD2-CB 4.33Å; L473-L490 HydrophobicContact CD2-CD1 3.91Å; G488-L490 PolarHBondContact O-N 3.14Å; L490-T524 HydrophobicContact CD2-CG2 4.33Å; L490-T524 HydrophobicContact CG-CG2 4.07Å; L490-T524 WeakPolarHBondContact O-CB 3.4Å; L490-T524 VanDerWaalsContact O-CG2 3.24Å; L490-T524 WeakPolarHBondContact O-CG2 3.46Å; L490-T524 PolarHBondContact O-N 3.18Å; L490-T524 PolarHBondContact O-OG1 3.16Å; L490-D526 WeakPolarHBondContact CB-O 3.17Å; L490-D526 PolarHBondContact N-O 3.04Å; L490-A528 HydrophobicContact CB-CB 4Å; L490-A528 HydrophobicContact CD1-CB 4.22Å; L490-A528 HydrophobicContact CD2-CB 4.23Å; L490-A528 HydrophobicContact CG-CB 4.38Å; L490-Y536 HydrophobicContact CD1-CD1 4.27Å; L490-Y536 HydrophobicContact CD1-CE1 4.4Å; L490-I538 HydrophobicContact CD2-CD1 3.8Å
491	C	97.9	Very high	94.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162	172	-55.5	0	0	0	0	110.5	P471 V472 M474 A489 Y518 Y522	P471-C491 CarbonylContact C-O 3.54Å; P471-C491 VanDerWaalsContact CA-O 3.29Å; P471-C491 WeakPolarHBondContact CA-O 3.16Å; V472-C491 HydrophobicContact CG2-CB 3.79Å; V472-C491 PolarHBondContact N-O 3.08Å; V472-C491 PolarHBondContact O-N 2.87Å; M474-C491 HydrophobicContact CG-CB 4.23Å; A489-C491 PolarHBondContact O-N 3.02Å; C491-Y518 WeakPolarHBondContact SG-CD2 3.2Å; C491-Y522 CarbonylContact C-O 3.48Å; C491-Y522 WeakPolarHBondContact CA-O 3.24Å; C491-Y522 WeakPolarHBondContact CB-O 3.22Å
492	I	98.4	Very high	94.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.1	172.6	-55.7	170.3	0	0	0	107.5	F88 W436 I469 V470 Q494 W496 Y522 T524	F88-I492 WeakPolarHBondContact CE2-O 3.27Å; W436-I492 HydrophobicContact CH2-CD1 4.48Å; I469-I492 HydrophobicContact CG2-CD1 4.23Å; I469-I492 HydrophobicContact CG2-CG1 4.43Å; I469-I492 HydrophobicContact CG2-CG2 4.39Å; V470-I492 WeakPolarHBondContact O-CA 3.15Å; I492-Q494 WeakPolarHBondContact CG2-O 3.43Å; I492-W496 HydrophobicContact CB-CH2 4.49Å; I492-W496 HydrophobicContact CB-CZ3 3.89Å; I492-W496 HydrophobicContact CD1-CE3 4.39Å; I492-W496 HydrophobicContact CD1-CH2 3.41Å; I492-W496 VanDerWaalsContact CD1-CH2 3.41Å; I492-W496 HydrophobicContact CD1-CZ2 4.14Å; I492-W496 HydrophobicContact CD1-CZ3 3.55Å; I492-W496 HydrophobicContact CG1-CZ3 4.31Å; I492-W496 HydrophobicContact CG2-CE3 3.96Å; I492-W496 HydrophobicContact CG2-CZ3 3.61Å; I492-Y522 HydrophobicContact CB-CD1 4.38Å; I492-Y522 HydrophobicContact CD1-CD1 4.04Å; I492-Y522 HydrophobicContact CD1-CE1 4.46Å; I492-Y522 HydrophobicContact CG1-CD1 4.33Å; I492-Y522 PolarHBondContact N-O 3.38Å; I492-Y522 PolarHBondContact O-N 3.03Å; I492-T524 HydrophobicContact CD1-CG2 4.38Å; I492-T524 HydrophobicContact CG1-CG2 4.36Å
493	S	97.1	Very high	95	Very high	39 Å²	39	21 Å²	21	27%	0.273	15%	0.145	S	C	.	.	S	Bend	trans	-84.6	-11.6	-170.8	64.4	0	0	0	0	115.2	V470	V470-S493 WeakPolarHBondContact CB-OG 3.38Å; V470-S493 VanDerWaalsContact CG1-OG 3.27Å; V470-S493 WeakPolarHBondContact CG1-OG 3.27Å; V470-S493 PolarHBondContact O-N 3.38Å; V470-S493 PolarHBondContact O-OG 3.07Å
494	Q	95.7	Very high	95.2	Very high	34 Å²	34	21.2 Å²	21.2	16%	0.159	13%	0.132	C	C	.	.	S	Bend	trans	-145	157.5	178.8	66.6	-179.8	54.1	0	0	112.2	A58 A59 F88 G468 V470 I492	A58-Q494 PolarHBondContact O-NE2 2.85Å; A59-Q494 PolarHBondContact O-OE1 3.32Å; A59-Q494 VanDerWaalsContact O-OE1 3.13Å; F88-Q494 VanDerWaalsContact CE2-C 3.43Å; F88-Q494 WeakPolarHBondContact CZ-O 3.43Å; G468-Q494 PolarHBondContact O-NE2 3.3Å; V470-Q494 HydrophobicContact CB-CG 4.19Å; V470-Q494 HydrophobicContact CG2-CG 3.89Å; I492-Q494 WeakPolarHBondContact CG2-O 3.43Å
495	A	97.7	Very high	95.3	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	15%	0.153	C	C	.	.			trans	-70.2	153.9	176	0	0	0	0	0	111.6	C86 F88 I93 W95 M499	C86-A495 HydrophobicContact CB-CB 3.69Å; C86-A495 VanDerWaalsContact SG-CB 3.57Å; F88-A495 HydrophobicContact CE1-CB 3.63Å; F88-A495 VanDerWaalsContact CZ-CA 3.48Å; F88-A495 HydrophobicContact CZ-CB 3.97Å; I93-A495 HydrophobicContact CD1-CB 4.14Å; W95-A495 HydrophobicContact CZ2-CB 4.23Å; W95-A495 WeakPolarHBondContact CZ2-O 3.4Å; A495-M499 HydrophobicContact CB-SD 3.68Å
496	W	98.2	Very high	95.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.144	C	C	.	.			trans	-131.6	161.2	169	63.6	100.9	0	0	0	109.8	W95 Y307 T441 I469 I492 G498 M499 Y522	W95-W496 VanDerWaalsContact CE2-C 3.46Å; W95-W496 VanDerWaalsContact CZ2-CA 3.4Å; W95-W496 PolarHBondContact NE1-O 2.79Å; Y307-W496 AromaticContact CE1-CD1 3.69Å; Y307-W496 AromaticContact CE1-NE1 3.85Å; Y307-W496 AromaticContact CE2-CD1 3.73Å; Y307-W496 HydrophobicContact CE2-CG 4.42Å; Y307-W496 AromaticContact CZ-CD1 3.52Å; Y307-W496 AromaticContact CZ-NE1 4Å; T441-W496 HydrophobicContact CG2-CH2 4.44Å; T441-W496 HydrophobicContact CG2-CZ2 3.77Å; T441-W496 PolarHBondContact O-NE1 2.88Å; I469-W496 HydrophobicContact CD1-CB 3.91Å; I469-W496 HydrophobicContact CD1-CD2 3.39Å; I469-W496 HydrophobicContact CD1-CE3 3.75Å; I469-W496 HydrophobicContact CD1-CG 3.45Å; I469-W496 VanDerWaalsContact CD1-CG 3.45Å; I492-W496 HydrophobicContact CB-CH2 4.49Å; I492-W496 HydrophobicContact CB-CZ3 3.89Å; I492-W496 HydrophobicContact CD1-CE3 4.39Å; I492-W496 HydrophobicContact CD1-CH2 3.41Å; I492-W496 VanDerWaalsContact CD1-CH2 3.41Å; I492-W496 HydrophobicContact CD1-CZ2 4.14Å; I492-W496 HydrophobicContact CD1-CZ3 3.55Å; I492-W496 HydrophobicContact CG1-CZ3 4.31Å; I492-W496 HydrophobicContact CG2-CE3 3.96Å; I492-W496 HydrophobicContact CG2-CZ3 3.61Å; W496-G498 VanDerWaalsContact C-N 3.27Å; W496-G498 PolarHBondContact O-N 2.81Å; W496-M499 HydrophobicContact CD2-CB 4.09Å; W496-M499 HydrophobicContact CE3-SD 4.35Å; W496-M499 HydrophobicContact CH2-CB 4.09Å; W496-M499 HydrophobicContact CZ2-CB 3.6Å; W496-M499 HydrophobicContact CZ3-SD 4.36Å; W496-M499 WeakPolarHBondContact O-CG 3.36Å; W496-M499 PolarHBondContact O-N 3.27Å; W496-Y522 AromaticContact CH2-CD1 3.83Å; W496-Y522 HydrophobicContact CH2-CD1 3.83Å; W496-Y522 HydrophobicContact CH2-CE1 4.11Å; W496-Y522 HydrophobicContact CH2-CG 4.23Å; W496-Y522 HydrophobicContact CZ3-CD1 4.42Å
497	P	98.3	Very high	95.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.4	-170.8	-24.4	32.3	0	0	0	114.9	W66 W95 F96 G303 R501	W66-P497 HydrophobicContact CB-CG 4.33Å; W66-P497 HydrophobicContact CD2-CG 3.52Å; W66-P497 HydrophobicContact CE3-CG 3.86Å; W66-P497 HydrophobicContact CG-CG 3.74Å; W66-P497 HydrophobicContact CZ2-CG 4.28Å; W66-P497 HydrophobicContact CZ3-CG 4.38Å; W95-P497 HydrophobicContact CD2-CB 4.06Å; W95-P497 HydrophobicContact CD2-CG 3.94Å; W95-P497 HydrophobicContact CE3-CB 4.27Å; W95-P497 HydrophobicContact CE3-CG 3.74Å; W95-P497 HydrophobicContact CG-CB 4.32Å; W95-P497 HydrophobicContact CH2-CG 3.98Å; W95-P497 HydrophobicContact CZ2-CG 4.17Å; W95-P497 HydrophobicContact CZ3-CG 3.77Å; F96-P497 HydrophobicContact CE2-CB 4.25Å; F96-P497 HydrophobicContact CZ-CG 4.49Å; G303-P497 CarbonylContact C-O 3.56Å; G303-P497 VanDerWaalsContact CA-O 3.25Å; G303-P497 WeakPolarHBondContact CA-O 3.44Å; G303-P497 CarbonylContact O-C 3.57Å; G303-P497 WeakPolarHBondContact O-CB 3.29Å; P497-R501 PolarHBondContact O-NH1 3.46Å; P497-R501 PolarHBondContact O-NH2 2.75Å
498	G	98.4	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.9	-172.4	0	0	0	0	0	116.3	H299 T441 G442 W496	H299-G498 PolarHBondContact CE1-O 2.89Å; H299-G498 VanDerWaalsContact CE1-O 3.29Å; H299-G498 PolarHBondContact ND1-O 2.85Å; T441-G498 CarbonylContact C-O 3.55Å; T441-G498 CarbonylContact O-C 3.53Å; T441-G498 VanDerWaalsContact O-C 3.24Å; T441-G498 VanDerWaalsContact O-O 3.06Å; G442-G498 WeakPolarHBondContact CA-O 3.48Å; W496-G498 VanDerWaalsContact C-N 3.27Å; W496-G498 PolarHBondContact O-N 2.81Å
499	M	98.4	Very high	96.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.151	C	C	.	.	S	Bend	trans	-67.2	151.5	-173.6	72.2	-173.8	-71.6	0	0	113.2	F88 I93 E440 A495 W496 R501 F515 Y522	F88-M499 HydrophobicContact CE1-CE 3.74Å; F88-M499 HydrophobicContact CE1-SD 3.96Å; F88-M499 HydrophobicContact CZ-CE 4.23Å; F88-M499 HydrophobicContact CZ-SD 4.35Å; I93-M499 HydrophobicContact CD1-CE 3.6Å; I93-M499 HydrophobicContact CD1-SD 3.64Å; I93-M499 HydrophobicContact CG1-CE 3.86Å; I93-M499 HydrophobicContact CG1-SD 4.02Å; I93-M499 HydrophobicContact CG2-CG 3.78Å; I93-M499 HydrophobicContact CG2-SD 3.83Å; E440-M499 CarbonylContact O-C 3.55Å; E440-M499 WeakPolarHBondContact O-CA 3.29Å; A495-M499 HydrophobicContact CB-SD 3.68Å; W496-M499 HydrophobicContact CD2-CB 4.09Å; W496-M499 HydrophobicContact CE3-SD 4.35Å; W496-M499 HydrophobicContact CH2-CB 4.09Å; W496-M499 HydrophobicContact CZ2-CB 3.6Å; W496-M499 HydrophobicContact CZ3-SD 4.36Å; W496-M499 WeakPolarHBondContact O-CG 3.36Å; W496-M499 PolarHBondContact O-N 3.27Å; M499-R501 PolarHBondContact O-NH1 3.45Å; M499-F515 HydrophobicContact CE-CZ 3.97Å; M499-Y522 HydrophobicContact CE-CD2 4.45Å
500	A	98.1	Very high	96.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	15%	0.151	C	C	.	.			trans	-60.4	147.8	172.1	0	0	0	0	0	110.9	L297 V298 E440 F510	L297-A500 HydrophobicContact CB-CB 4.3Å; L297-A500 HydrophobicContact CD1-CB 3.82Å; L297-A500 HydrophobicContact CG-CB 4.46Å; V298-A500 CarbonylContact O-C 3.45Å; V298-A500 VanDerWaalsContact O-CA 3.32Å; V298-A500 WeakPolarHBondContact O-CA 3.45Å; E440-A500 PolarHBondContact O-N 2.96Å; A500-F510 HydrophobicContact CB-CE2 4.43Å; A500-F510 WeakPolarHBondContact O-CZ 3.37Å
501	R	98.1	Very high	96.4	Very high	18 Å²	18	27.6 Å²	27.6	7%	0.068	16%	0.156	C	C	.	.			trans	-91.6	-30.7	-177.6	-58	-48.4	-163.4	-109.1	2.9	113.5	I93 E279 V298 T300 P497 M499 F510	I93-R501 VanDerWaalsContact CG2-CD 3.48Å; E279-R501 IonicContact OE1-CZ 3.8Å; E279-R501 IonicContact OE1-NE 3.97Å; E279-R501 IonicContact OE1-NH2 3.93Å; E279-R501 PolarHBondContact OE1-NH2 2.76Å; E279-R501 IonicContact OE2-CZ 3.26Å; E279-R501 IonicContact OE2-NE 3.67Å; E279-R501 PolarHBondContact OE2-NE 3.18Å; E279-R501 IonicContact OE2-NH2 2.75Å; E279-R501 PolarHBondContact OE2-NH2 3.45Å; V298-R501 PolarHBondContact O-N 2.63Å; T300-R501 HydrophobicContact CG2-CB 4.43Å; T300-R501 HydrophobicContact CG2-CG 3.5Å; T300-R501 VanDerWaalsContact CG2-CG 3.5Å; T300-R501 PolarHBondContact OG1-NE 2.74Å; T300-R501 PolarHBondContact OG1-NH2 3.2Å; P497-R501 PolarHBondContact O-NH1 3.46Å; P497-R501 PolarHBondContact O-NH2 2.75Å; M499-R501 PolarHBondContact O-NH1 3.45Å; R501-F510 VanDerWaalsContact O-CE1 3.29Å; R501-F510 WeakPolarHBondContact O-CE1 3.42Å
502	T	97.2	Very high	96.2	Very high	28 Å²	28	30.5 Å²	30.5	17%	0.172	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	173.8	-177.8	-168.5	0	0	0	0	111.2	V298 H507	V298-T502 HydrophobicContact CB-CG2 3.84Å; V298-T502 HydrophobicContact CG1-CG2 4.42Å; V298-T502 HydrophobicContact CG2-CG2 3.67Å; V298-T502 PolarHBondContact N-O 3.26Å; T502-H507 WeakPolarHBondContact OG1-CA 3.48Å; T502-H507 PolarHBondContact OG1-ND1 3.08Å
503	I	96	Very high	95.8	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.4	154.9	-62.7	168.2	0	0	0	107.4	K295 G296 L297 G505 D506 R509 F510 Y514	K295-I503 HydrophobicContact CB-CD1 4.12Å; K295-I503 HydrophobicContact CB-CG1 4.24Å; K295-I503 HydrophobicContact CB-CG2 4.35Å; K295-I503 HydrophobicContact CD-CD1 3.7Å; K295-I503 HydrophobicContact CG-CD1 3.89Å; G296-I503 WeakPolarHBondContact O-CA 3.36Å; L297-I503 HydrophobicContact CD1-CG1 4.18Å; L297-I503 HydrophobicContact CD2-CG1 4.46Å; I503-G505 PolarHBondContact O-N 2.64Å; I503-D506 CarbonylContact O-C 3.54Å; I503-D506 PolarHBondContact O-N 3.35Å; I503-R509 HydrophobicContact CD1-CB 4.12Å; I503-R509 HydrophobicContact CD1-CG 3.73Å; I503-F510 HydrophobicContact CB-CB 4.31Å; I503-F510 HydrophobicContact CD1-CB 4.24Å; I503-F510 HydrophobicContact CG1-CB 4.02Å; I503-F510 HydrophobicContact CG1-CD2 4.2Å; I503-Y514 HydrophobicContact CD1-CE2 4.37Å
504	Y	95.5	Very high	95.6	Very high	51 Å²	51	31 Å²	31	20%	0.2	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	133.1	-178.2	-177.9	-109.9	0	0	0	111.4	R160 D203 M281 M284 G296 D506	R160-Y504 PolarHBondContact NE-OH 2.59Å; D203-Y504 WeakPolarHBondContact O-CE1 3.4Å; M281-Y504 HydrophobicContact CE-CD2 3.57Å; M281-Y504 HydrophobicContact CE-CE2 3.88Å; M281-Y504 HydrophobicContact SD-CD2 4.32Å; M281-Y504 HydrophobicContact SD-CE2 4.3Å; M284-Y504 VanDerWaalsContact SD-CB 3.55Å; M284-Y504 HydrophobicContact SD-CD1 3.94Å; M284-Y504 HydrophobicContact SD-CD2 3.56Å; M284-Y504 VanDerWaalsContact SD-CD2 3.56Å; M284-Y504 HydrophobicContact SD-CE2 4.21Å; M284-Y504 HydrophobicContact SD-CG 3.4Å; G296-Y504 PolarHBondContact O-N 2.84Å; Y504-D506 PolarHBondContact O-N 3.02Å
505	G	93.6	Very high	95.6	Very high	81 Å²	81	29.6 Å²	29.6	84%	0.835	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	-7.3	180	0	0	0	0	0	115.8	I503	I503-G505 PolarHBondContact O-N 2.64Å
506	D	93.9	Very high	95.4	Very high	69 Å²	69	37.3 Å²	37.3	37%	0.369	20%	0.198	S	C	.	.			trans	-148.5	76.5	-172.5	-167.4	-10.7	0	0	0	112	I503 Y504 Q508 R509 F510	I503-D506 CarbonylContact O-C 3.54Å; I503-D506 PolarHBondContact O-N 3.35Å; Y504-D506 PolarHBondContact O-N 3.02Å; D506-Q508 VanDerWaalsContact C-N 3.3Å; D506-Q508 PolarHBondContact O-N 2.77Å; D506-R509 HydrophobicContact CB-CB 4.09Å; D506-R509 PolarHBondContact O-N 3.03Å; D506-R509 VanDerWaalsContact OD1-CB 3.29Å; D506-R509 WeakPolarHBondContact OD1-CB 3.32Å; D506-R509 PolarHBondContact OD1-N 2.96Å; D506-R509 WeakPolarHBondContact OD2-CB 3.41Å; D506-F510 PolarHBondContact O-N 3Å
507	H	95.6	Very high	95	Very high	77 Å²	77	40.1 Å²	40.1	36%	0.356	22%	0.222	S	C	.	.	H	α-helix	trans	-66.6	-32.1	178.2	-171.8	67.1	0	0	0	112.8	T90 G91 T502 R509 F510 V511	T90-H507 PolarHBondContact O-NE2 3.06Å; T90-H507 VanDerWaalsContact O-NE2 3.14Å; G91-H507 PolarHBondContact O-CE1 3.24Å; T502-H507 WeakPolarHBondContact OG1-CA 3.48Å; T502-H507 PolarHBondContact OG1-ND1 3.08Å; H507-R509 VanDerWaalsContact C-N 3.33Å; H507-R509 PolarHBondContact O-N 3.36Å; H507-F510 AromaticContact CE1-CD1 3.97Å; H507-F510 WeakPolarHBondContact O-CA 3.45Å; H507-F510 VanDerWaalsContact O-CB 3.28Å; H507-F510 WeakPolarHBondContact O-CB 3.44Å; H507-F510 PolarHBondContact O-N 2.91Å; H507-V511 PolarHBondContact O-N 3.39Å
508	Q	95	Very high	94.8	Very high	109 Å²	109	41.3 Å²	41.3	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-40.1	179.1	-173.5	57.1	50.5	0	0	110.9	D506 F510 V511 D512	D506-Q508 VanDerWaalsContact C-N 3.3Å; D506-Q508 PolarHBondContact O-N 2.77Å; Q508-F510 PolarHBondContact O-N 3.1Å; Q508-V511 PolarHBondContact O-N 3.49Å; Q508-V511 VanDerWaalsContact O-N 3.16Å; Q508-D512 PolarHBondContact NE2-OD1 2.97Å; Q508-D512 WeakPolarHBondContact O-CB 3.49Å; Q508-D512 PolarHBondContact O-N 3.17Å
509	R	92.5	Very high	94.5	Very high	44 Å²	44	46 Å²	46	17%	0.166	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-31.3	172.4	-173.4	-178	-175.8	-156.3	0.1	112.8	T291 T293 P294 K295 I503 D506 H507 A513	T291-R509 PolarHBondContact OG1-NH2 2.87Å; T293-R509 PolarHBondContact O-NH2 2.91Å; P294-R509 PolarHBondContact O-NH1 3.28Å; K295-R509 VanDerWaalsContact CG-CZ 3.46Å; I503-R509 HydrophobicContact CD1-CB 4.12Å; I503-R509 HydrophobicContact CD1-CG 3.73Å; D506-R509 HydrophobicContact CB-CB 4.09Å; D506-R509 PolarHBondContact O-N 3.03Å; D506-R509 VanDerWaalsContact OD1-CB 3.29Å; D506-R509 WeakPolarHBondContact OD1-CB 3.32Å; D506-R509 PolarHBondContact OD1-N 2.96Å; D506-R509 WeakPolarHBondContact OD2-CB 3.41Å; H507-R509 VanDerWaalsContact C-N 3.33Å; H507-R509 PolarHBondContact O-N 3.36Å; R509-A513 WeakPolarHBondContact O-CB 3.42Å; R509-A513 PolarHBondContact O-N 3Å
510	F	94.1	Very high	94.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-47.7	173.1	179.6	-109.8	0	0	0	111.3	L297 A500 R501 I503 D506 H507 Q508 D512 A513 Y514 F515	L297-F510 HydrophobicContact CD1-CD2 4.31Å; L297-F510 HydrophobicContact CD1-CE2 4.29Å; A500-F510 HydrophobicContact CB-CE2 4.43Å; A500-F510 WeakPolarHBondContact O-CZ 3.37Å; R501-F510 VanDerWaalsContact O-CE1 3.29Å; R501-F510 WeakPolarHBondContact O-CE1 3.42Å; I503-F510 HydrophobicContact CB-CB 4.31Å; I503-F510 HydrophobicContact CD1-CB 4.24Å; I503-F510 HydrophobicContact CG1-CB 4.02Å; I503-F510 HydrophobicContact CG1-CD2 4.2Å; D506-F510 PolarHBondContact O-N 3Å; H507-F510 AromaticContact CE1-CD1 3.97Å; H507-F510 WeakPolarHBondContact O-CA 3.45Å; H507-F510 VanDerWaalsContact O-CB 3.28Å; H507-F510 WeakPolarHBondContact O-CB 3.44Å; H507-F510 PolarHBondContact O-N 2.91Å; Q508-F510 PolarHBondContact O-N 3.1Å; F510-D512 PolarHBondContact O-N 2.96Å; F510-A513 PolarHBondContact O-N 3.11Å; F510-Y514 AromaticContact CD2-CD2 3.37Å; F510-Y514 HydrophobicContact CD2-CD2 3.37Å; F510-Y514 AromaticContact CD2-CE2 3.58Å; F510-Y514 HydrophobicContact CD2-CE2 3.58Å; F510-Y514 AromaticContact CE2-CD2 3.6Å; F510-Y514 HydrophobicContact CE2-CD2 3.6Å; F510-Y514 AromaticContact CE2-CE2 3.93Å; F510-Y514 HydrophobicContact CE2-CE2 3.93Å; F510-Y514 HydrophobicContact CG-CD2 4.13Å; F510-Y514 VanDerWaalsContact O-CD2 3.25Å; F510-Y514 WeakPolarHBondContact O-CD2 3.48Å; F510-Y514 PolarHBondContact O-N 3.47Å; F510-Y514 VanDerWaalsContact O-N 3.11Å; F510-F515 AromaticContact CD1-CE2 3.95Å; F510-F515 HydrophobicContact CD1-CE2 3.95Å; F510-F515 HydrophobicContact CE1-CD2 4.47Å; F510-F515 AromaticContact CE1-CE2 3.46Å; F510-F515 HydrophobicContact CE1-CE2 3.46Å; F510-F515 VanDerWaalsContact CE1-CE2 3.46Å; F510-F515 HydrophobicContact CE1-CZ 4.13Å; F510-F515 AromaticContact CZ-CE2 3.77Å; F510-F515 HydrophobicContact CZ-CE2 3.77Å; F510-F515 HydrophobicContact CZ-CZ 4.21Å
511	V	95.3	Very high	94.3	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-48.7	175.1	178.4	0	0	0	0	111.1	H507 Q508 A513 F515 R516	H507-V511 PolarHBondContact O-N 3.39Å; Q508-V511 PolarHBondContact O-N 3.49Å; Q508-V511 VanDerWaalsContact O-N 3.16Å; V511-A513 PolarHBondContact O-N 3.29Å; V511-F515 WeakPolarHBondContact O-CA 3.38Å; V511-F515 PolarHBondContact O-N 3.04Å; V511-R516 PolarHBondContact O-N 3.38Å; V511-R516 VanDerWaalsContact O-N 3.12Å
512	D	92.7	Very high	94.2	Very high	61 Å²	61	49.5 Å²	49.5	33%	0.326	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-39.6	-179.5	-73.7	-31.1	0	0	0	112.6	Q508 F510 R516	Q508-D512 PolarHBondContact NE2-OD1 2.97Å; Q508-D512 WeakPolarHBondContact O-CB 3.49Å; Q508-D512 PolarHBondContact O-N 3.17Å; F510-D512 PolarHBondContact O-N 2.96Å; D512-R516 WeakPolarHBondContact O-CB 3.29Å; D512-R516 VanDerWaalsContact OD1-CD 3.27Å; D512-R516 WeakPolarHBondContact OD1-CD 3.29Å; D512-R516 IonicContact OD1-CZ 3.77Å; D512-R516 IonicContact OD1-NE 2.76Å; D512-R516 IonicContact OD1-NH1 2.83Å; D512-R516 PolarHBondContact OD1-NH1 3.41Å; D512-R516 IonicContact OD2-NH1 3.79Å
513	A	90	Very high	94.2	Very high	40 Å²	40	49.5 Å²	49.5	33%	0.331	28%	0.276	S	S	.	.	H	α-helix	trans	-73.4	-37	-177.7	0	0	0	0	0	113.2	R509 F510 V511	R509-A513 WeakPolarHBondContact O-CB 3.42Å; R509-A513 PolarHBondContact O-N 3Å; F510-A513 PolarHBondContact O-N 3.11Å; V511-A513 PolarHBondContact O-N 3.29Å
514	Y	94.4	Very high	94.1	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-118.7	-17.9	-165.7	-57.7	-68.8	0	0	0	115	K295 L297 E440 I503 F510 Y522 F523	K295-Y514 PolarHBondContact NZ-OH 3.31Å; L297-Y514 HydrophobicContact CD1-CE2 4.15Å; E440-Y514 HydrophobicContact CG-CE1 3.58Å; E440-Y514 HydrophobicContact CG-CE2 4.36Å; E440-Y514 VanDerWaalsContact CG-CZ 3.48Å; E440-Y514 WeakPolarHBondContact CG-OH 3.13Å; E440-Y514 PolarHBondContact OE1-OH 3.03Å; I503-Y514 HydrophobicContact CD1-CE2 4.37Å; F510-Y514 AromaticContact CD2-CD2 3.37Å; F510-Y514 HydrophobicContact CD2-CD2 3.37Å; F510-Y514 AromaticContact CD2-CE2 3.58Å; F510-Y514 HydrophobicContact CD2-CE2 3.58Å; F510-Y514 AromaticContact CE2-CD2 3.6Å; F510-Y514 HydrophobicContact CE2-CD2 3.6Å; F510-Y514 AromaticContact CE2-CE2 3.93Å; F510-Y514 HydrophobicContact CE2-CE2 3.93Å; F510-Y514 HydrophobicContact CG-CD2 4.13Å; F510-Y514 VanDerWaalsContact O-CD2 3.25Å; F510-Y514 WeakPolarHBondContact O-CD2 3.48Å; F510-Y514 PolarHBondContact O-N 3.47Å; F510-Y514 VanDerWaalsContact O-N 3.11Å; Y514-Y522 AromaticContact CD1-CE2 3.62Å; Y514-Y522 HydrophobicContact CD1-CE2 3.62Å; Y514-Y522 HydrophobicContact CE1-CE2 4.45Å; Y514-Y522 HydrophobicContact CG-CD2 4.38Å; Y514-Y522 AromaticContact CG-CE2 3.75Å; Y514-Y522 HydrophobicContact CG-CE2 3.75Å; Y514-F523 PolarHBondContact O-N 3.45Å
515	F	95.3	Very high	93.8	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-14.3	-173.4	-57.5	-81.1	0	0	0	113.8	F88 M499 F510 V511 Y518 P519 Y521 Y522	F88-F515 HydrophobicContact CB-CD1 3.78Å; F88-F515 HydrophobicContact CB-CE1 3.95Å; F88-F515 HydrophobicContact CD1-CD1 4.15Å; F88-F515 AromaticContact CD1-CE1 3.39Å; F88-F515 HydrophobicContact CD1-CE1 3.39Å; F88-F515 HydrophobicContact CD1-CZ 4.11Å; F88-F515 HydrophobicContact CD2-CD1 4.47Å; F88-F515 HydrophobicContact CD2-CE1 4.15Å; F88-F515 AromaticContact CE1-CE1 3.75Å; F88-F515 HydrophobicContact CE1-CE1 3.75Å; F88-F515 HydrophobicContact CE1-CZ 4.28Å; F88-F515 HydrophobicContact CE2-CE1 4.45Å; F88-F515 AromaticContact CG-CD1 3.92Å; F88-F515 HydrophobicContact CG-CD1 3.92Å; F88-F515 AromaticContact CG-CE1 3.58Å; F88-F515 HydrophobicContact CG-CE1 3.58Å; F88-F515 HydrophobicContact CZ-CE1 4.24Å; F88-F515 WeakPolarHBondContact O-CB 3.43Å; F88-F515 WeakPolarHBondContact O-CD1 3.42Å; F88-F515 WeakPolarHBondContact O-CG 3.36Å; M499-F515 HydrophobicContact CE-CZ 3.97Å; F510-F515 AromaticContact CD1-CE2 3.95Å; F510-F515 HydrophobicContact CD1-CE2 3.95Å; F510-F515 HydrophobicContact CE1-CD2 4.47Å; F510-F515 AromaticContact CE1-CE2 3.46Å; F510-F515 HydrophobicContact CE1-CE2 3.46Å; F510-F515 VanDerWaalsContact CE1-CE2 3.46Å; F510-F515 HydrophobicContact CE1-CZ 4.13Å; F510-F515 AromaticContact CZ-CE2 3.77Å; F510-F515 HydrophobicContact CZ-CE2 3.77Å; F510-F515 HydrophobicContact CZ-CZ 4.21Å; V511-F515 WeakPolarHBondContact O-CA 3.38Å; V511-F515 PolarHBondContact O-N 3.04Å; F515-Y518 CarbonylContact O-C 3.41Å; F515-P519 WeakPolarHBondContact O-CA 3.5Å; F515-Y521 WeakPolarHBondContact CD1-O 3.38Å; F515-Y522 HydrophobicContact CE1-CD2 4.09Å; F515-Y522 AromaticContact CZ-CD2 3.92Å; F515-Y522 HydrophobicContact CZ-CD2 3.92Å
516	R	92.2	Very high	93.5	Very high	164 Å²	164	44 Å²	44	62%	0.619	23%	0.233	S	C	*	.	S	Bend	trans	-75.8	-38.5	-177	-177.3	170.9	-175.4	162.1	-1.3	114.2	V511 D512 Y518	V511-R516 PolarHBondContact O-N 3.38Å; V511-R516 VanDerWaalsContact O-N 3.12Å; D512-R516 WeakPolarHBondContact O-CB 3.29Å; D512-R516 VanDerWaalsContact OD1-CD 3.27Å; D512-R516 WeakPolarHBondContact OD1-CD 3.29Å; D512-R516 IonicContact OD1-CZ 3.77Å; D512-R516 IonicContact OD1-NE 2.76Å; D512-R516 IonicContact OD1-NH1 2.83Å; D512-R516 PolarHBondContact OD1-NH1 3.41Å; D512-R516 IonicContact OD2-NH1 3.79Å; R516-Y518 VanDerWaalsContact C-N 3.31Å; R516-Y518 PolarHBondContact O-N 3.4Å
517	A	90.2	Very high	93.2	Very high	59 Å²	59	40.8 Å²	40.8	49%	0.488	22%	0.216	S	C	.	.	S	Bend	trans	-62.7	-40.3	-177.6	0	0	0	0	0	111.7	F523	A517-F523 HydrophobicContact CB-CD1 3.94Å; A517-F523 HydrophobicContact CB-CG 4.47Å
518	Y	93.6	Very high	93	Very high	25 Å²	25	37.1 Å²	37.1	10%	0.098	20%	0.199	C	C	.	.	S	Bend	trans	-131.8	86.3	178.4	-59.6	-71	0	0	0	109.5	M474 D475 A489 C491 F515 R516 G520 Y521 F523	M474-Y518 HydrophobicContact CB-CD1 3.79Å; M474-Y518 HydrophobicContact CB-CE1 3.56Å; M474-Y518 HydrophobicContact CB-CE2 4.47Å; M474-Y518 HydrophobicContact CB-CG 4.34Å; M474-Y518 HydrophobicContact CE-CD1 3.77Å; M474-Y518 HydrophobicContact CE-CG 4.28Å; M474-Y518 HydrophobicContact CG-CD1 3.96Å; M474-Y518 HydrophobicContact CG-CE1 4.25Å; M474-Y518 HydrophobicContact CG-CG 4.16Å; D475-Y518 WeakPolarHBondContact O-CE1 3.23Å; A489-Y518 HydrophobicContact CB-CE2 3.59Å; A489-Y518 VanDerWaalsContact CB-OH 3.29Å; A489-Y518 WeakPolarHBondContact CB-OH 3.34Å; C491-Y518 WeakPolarHBondContact SG-CD2 3.2Å; F515-Y518 CarbonylContact O-C 3.41Å; R516-Y518 VanDerWaalsContact C-N 3.31Å; R516-Y518 PolarHBondContact O-N 3.4Å; Y518-G520 PolarHBondContact O-N 2.96Å; Y518-Y521 PolarHBondContact O-N 3.21Å; Y518-F523 HydrophobicContact CD2-CB 3.98Å; Y518-F523 HydrophobicContact CD2-CD1 4.49Å; Y518-F523 AromaticContact CD2-CD2 3.86Å; Y518-F523 HydrophobicContact CD2-CD2 3.86Å; Y518-F523 AromaticContact CD2-CG 3.85Å; Y518-F523 HydrophobicContact CD2-CG 3.85Å; Y518-F523 HydrophobicContact CE2-CD1 4.44Å; Y518-F523 AromaticContact CE2-CD2 3.75Å; Y518-F523 HydrophobicContact CE2-CD2 3.75Å; Y518-F523 AromaticContact CE2-CE2 3.96Å; Y518-F523 HydrophobicContact CE2-CE2 3.96Å; Y518-F523 HydrophobicContact CE2-CG 4.02Å; Y518-F523 HydrophobicContact CE2-CZ 4.35Å
519	P	93.4	Very high	92.6	Very high	99 Å²	99	33.5 Å²	33.5	64%	0.643	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.9	-175.3	-28.2	36.1	0	0	0	113.2	F515 Y521	F515-P519 WeakPolarHBondContact O-CA 3.5Å; P519-Y521 VanDerWaalsContact C-N 3.34Å; P519-Y521 WeakPolarHBondContact O-CD2 3.34Å
520	G	94.1	Very high	92.7	Very high	27 Å²	27	33 Å²	33	28%	0.278	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	1	-176.3	0	0	0	0	0	114.5	F88 Y518	F88-G520 WeakPolarHBondContact CD2-O 3.43Å; Y518-G520 PolarHBondContact O-N 2.96Å
521	Y	97	Very high	92.6	Very high	64 Å²	64	34.1 Å²	34.1	25%	0.251	19%	0.187	S	C	.	.	S	Bend	trans	-129.5	150.2	177.9	-58.1	-93.2	0	0	0	110.8	V472 M474 F515 Y518 P519	V472-Y521 HydrophobicContact CG1-CE1 4.43Å; V472-Y521 HydrophobicContact CG2-CD1 3.58Å; V472-Y521 HydrophobicContact CG2-CE1 3.76Å; M474-Y521 HydrophobicContact CE-CD2 4.13Å; M474-Y521 HydrophobicContact CE-CE2 4.07Å; F515-Y521 WeakPolarHBondContact CD1-O 3.38Å; Y518-Y521 PolarHBondContact O-N 3.21Å; P519-Y521 VanDerWaalsContact C-N 3.34Å; P519-Y521 WeakPolarHBondContact O-CD2 3.34Å
522	Y	97.7	Very high	92.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.1	166.6	172	-97.1	0	0	0	109.1	Q438 E440 C491 I492 W496 M499 Y514 F515 T524	Q438-Y522 PolarHBondContact OE1-OH 3.41Å; E440-Y522 WeakPolarHBondContact CB-OH 3.22Å; C491-Y522 CarbonylContact C-O 3.48Å; C491-Y522 WeakPolarHBondContact CA-O 3.24Å; C491-Y522 WeakPolarHBondContact CB-O 3.22Å; I492-Y522 HydrophobicContact CB-CD1 4.38Å; I492-Y522 HydrophobicContact CD1-CD1 4.04Å; I492-Y522 HydrophobicContact CD1-CE1 4.46Å; I492-Y522 HydrophobicContact CG1-CD1 4.33Å; I492-Y522 PolarHBondContact N-O 3.38Å; I492-Y522 PolarHBondContact O-N 3.03Å; W496-Y522 AromaticContact CH2-CD1 3.83Å; W496-Y522 HydrophobicContact CH2-CD1 3.83Å; W496-Y522 HydrophobicContact CH2-CE1 4.11Å; W496-Y522 HydrophobicContact CH2-CG 4.23Å; W496-Y522 HydrophobicContact CZ3-CD1 4.42Å; M499-Y522 HydrophobicContact CE-CD2 4.45Å; Y514-Y522 AromaticContact CD1-CE2 3.62Å; Y514-Y522 HydrophobicContact CD1-CE2 3.62Å; Y514-Y522 HydrophobicContact CE1-CE2 4.45Å; Y514-Y522 HydrophobicContact CG-CD2 4.38Å; Y514-Y522 AromaticContact CG-CE2 3.75Å; Y514-Y522 HydrophobicContact CG-CE2 3.75Å; F515-Y522 HydrophobicContact CE1-CD2 4.09Å; F515-Y522 AromaticContact CZ-CD2 3.92Å; F515-Y522 HydrophobicContact CZ-CD2 3.92Å; Y522-T524 HydrophobicContact CD1-CG2 4Å; Y522-T524 HydrophobicContact CE1-CG2 3.78Å
523	F	95.7	Very high	92.5	Very high	29 Å²	29	41.2 Å²	41.2	13%	0.127	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	173	-179.2	-137.9	0	0	0	110.7	A489 Y514 A517 Y518 G525 M542	A489-F523 HydrophobicContact CB-CD2 4.36Å; A489-F523 HydrophobicContact CB-CE2 3.78Å; Y514-F523 PolarHBondContact O-N 3.45Å; A517-F523 HydrophobicContact CB-CD1 3.94Å; A517-F523 HydrophobicContact CB-CG 4.47Å; Y518-F523 HydrophobicContact CD2-CB 3.98Å; Y518-F523 HydrophobicContact CD2-CD1 4.49Å; Y518-F523 AromaticContact CD2-CD2 3.86Å; Y518-F523 HydrophobicContact CD2-CD2 3.86Å; Y518-F523 AromaticContact CD2-CG 3.85Å; Y518-F523 HydrophobicContact CD2-CG 3.85Å; Y518-F523 HydrophobicContact CE2-CD1 4.44Å; Y518-F523 AromaticContact CE2-CD2 3.75Å; Y518-F523 HydrophobicContact CE2-CD2 3.75Å; Y518-F523 AromaticContact CE2-CE2 3.96Å; Y518-F523 HydrophobicContact CE2-CE2 3.96Å; Y518-F523 HydrophobicContact CE2-CG 4.02Å; Y518-F523 HydrophobicContact CE2-CZ 4.35Å; F523-G525 VanDerWaalsContact CZ-CA 3.42Å; F523-M542 HydrophobicContact CE2-SD 4.5Å; F523-M542 HydrophobicContact CZ-CB 4.34Å
524	T	93.4	Very high	92.7	Very high	3 Å²	3	41 Å²	41	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-16.6	-176.1	67.5	0	0	0	0	113.2	W436 Q438 L490 I492 Y522 D526 R541	W436-T524 HydrophobicContact CH2-CG2 3.48Å; W436-T524 VanDerWaalsContact CH2-CG2 3.48Å; W436-T524 HydrophobicContact CZ2-CG2 3.81Å; Q438-T524 PolarHBondContact NE2-O 2.95Å; Q438-T524 PolarHBondContact OE1-O 3.47Å; L490-T524 HydrophobicContact CD2-CG2 4.33Å; L490-T524 HydrophobicContact CG-CG2 4.07Å; L490-T524 WeakPolarHBondContact O-CB 3.4Å; L490-T524 VanDerWaalsContact O-CG2 3.24Å; L490-T524 WeakPolarHBondContact O-CG2 3.46Å; L490-T524 PolarHBondContact O-N 3.18Å; L490-T524 PolarHBondContact O-OG1 3.16Å; I492-T524 HydrophobicContact CD1-CG2 4.38Å; I492-T524 HydrophobicContact CG1-CG2 4.36Å; Y522-T524 HydrophobicContact CD1-CG2 4Å; Y522-T524 HydrophobicContact CE1-CG2 3.78Å; T524-D526 PolarHBondContact O-N 3.22Å; T524-D526 WeakPolarHBondContact OG1-CB 3.16Å; T524-D526 PolarHBondContact OG1-N 2.83Å; T524-R541 PolarHBondContact O-NH1 2.91Å; T524-R541 VanDerWaalsContact O-NH1 3.09Å
525	G	89.4	Confident	92.7	Very high	5 Å²	5	42.3 Å²	42.3	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	2.4	-166.8	0	0	0	0	0	114.3	F523 R541 M542	F523-G525 VanDerWaalsContact CZ-CA 3.42Å; G525-R541 PolarHBondContact O-NH1 2.96Å; G525-M542 PolarHBondContact O-N 3.13Å
526	D	88.7	Confident	92.7	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.059	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	152.1	175.9	-65.5	-39.7	0	0	0	111	W436 Q438 L490 T524 I538 G540 R541	W436-D526 WeakPolarHBondContact CZ2-OD2 3.48Å; W436-D526 PolarHBondContact NE1-OD2 3.36Å; Q438-D526 PolarHBondContact NE2-OD2 3.19Å; L490-D526 WeakPolarHBondContact CB-O 3.17Å; L490-D526 PolarHBondContact N-O 3.04Å; T524-D526 PolarHBondContact O-N 3.22Å; T524-D526 WeakPolarHBondContact OG1-CB 3.16Å; T524-D526 PolarHBondContact OG1-N 2.83Å; D526-I538 HydrophobicContact CB-CG2 4.45Å; D526-G540 WeakPolarHBondContact CA-O 3.18Å; D526-R541 VanDerWaalsContact CG-NH1 3.27Å; D526-R541 WeakPolarHBondContact OD1-CD 3.32Å; D526-R541 IonicContact OD1-CZ 3.25Å; D526-R541 IonicContact OD1-NE 3.61Å; D526-R541 IonicContact OD1-NH1 3.79Å; D526-R541 PolarHBondContact OD1-NH1 3.25Å; D526-R541 IonicContact OD2-NH1 2.7Å; D526-R541 PolarHBondContact OD2-NH1 3.15Å
527	G	86.9	Confident	92.6	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.6	163.5	0	0	0	0	0	110.3	G488 T539 G540	G488-G527 WeakPolarHBondContact O-CA 3.46Å; G527-T539 PolarHBondContact O-N 2.97Å; G527-T539 PolarHBondContact O-OG1 3.5Å; G527-T539 VanDerWaalsContact O-OG1 3.13Å; G527-G540 PolarHBondContact N-O 3.33Å
528	A	91	Very high	92.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155	172.5	0	0	0	0	0	111.9	L473 S487 G488 L490 Q537 I538 T539	L473-A528 WeakPolarHBondContact CD1-O 3.44Å; L473-A528 HydrophobicContact CD2-CB 3.86Å; S487-A528 WeakPolarHBondContact CA-O 3.06Å; G488-A528 PolarHBondContact N-O 2.88Å; G488-A528 PolarHBondContact O-N 2.92Å; L490-A528 HydrophobicContact CB-CB 4Å; L490-A528 HydrophobicContact CD1-CB 4.22Å; L490-A528 HydrophobicContact CD2-CB 4.23Å; L490-A528 HydrophobicContact CG-CB 4.38Å; A528-Q537 CarbonylContact C-O 3.38Å; A528-Q537 WeakPolarHBondContact CA-O 3.42Å; A528-Q537 WeakPolarHBondContact CB-O 3.41Å; A528-I538 HydrophobicContact CB-CD1 4.28Å; A528-T539 PolarHBondContact N-OG1 3.33Å
529	H	86.7	Confident	91.5	Very high	33 Å²	33	40.2 Å²	40.2	15%	0.153	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.9	167.7	170.6	-116.7	0	0	0	108.9	D485 V486 S487 Y536 Q537 T539	D485-H529 IonicContact OD1-CD2 2.66Å; D485-H529 IonicContact OD1-CE1 2.76Å; D485-H529 IonicContact OD1-NE2 2.63Å; D485-H529 PolarHBondContact OD1-NE2 2.86Å; V486-H529 CarbonylContact O-C 3.51Å; V486-H529 WeakPolarHBondContact O-CA 3.45Å; V486-H529 PolarHBondContact O-CD2 3.29Å; S487-H529 PolarHBondContact OG-CD2 2.86Å; H529-Y536 WeakPolarHBondContact O-CA 3.43Å; H529-Q537 HydrophobicContact CB-CB 4.44Å; H529-Q537 PolarHBondContact N-O 2.75Å; H529-Q537 PolarHBondContact O-N 3.5Å; H529-T539 HydrophobicContact CB-CG2 4.04Å
530	R	94.2	Very high	90.4	Very high	34 Å²	34	36.6 Å²	36.6	13%	0.128	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.8	170.4	-179.8	171	69.3	-150.9	-1.9	108.7	L473 L481 G483 D485 V486 Y535 Y536	L473-R530 HydrophobicContact CD1-CB 3.62Å; L481-R530 PolarHBondContact O-NH2 2.81Å; G483-R530 VanDerWaalsContact O-CZ 3.24Å; G483-R530 PolarHBondContact O-NE 2.88Å; G483-R530 PolarHBondContact O-NH2 3.4Å; D485-R530 WeakPolarHBondContact CA-O 3.4Å; D485-R530 PolarHBondContact N-O 3.09Å; V486-R530 HydrophobicContact CG2-CB 4.36Å; V486-R530 PolarHBondContact N-O 2.86Å; V486-R530 VanDerWaalsContact N-O 3.13Å; V486-R530 PolarHBondContact O-N 2.96Å; R530-Y535 CarbonylContact C-O 3.55Å; R530-Y535 VanDerWaalsContact CA-O 3.29Å; R530-Y535 WeakPolarHBondContact CA-O 3.08Å; R530-Y536 HydrophobicContact CB-CD1 4.42Å; R530-Y536 HydrophobicContact CB-CE1 4.13Å; R530-Y536 WeakPolarHBondContact CD-OH 3.34Å; R530-Y536 HydrophobicContact CG-CE1 4.37Å; R530-Y536 HydrophobicContact CG-CE2 4.45Å; R530-Y536 PolarHBondContact NH1-OH 2.91Å
531	T	91.9	Very high	89.5	Confident	25 Å²	25	38 Å²	38	15%	0.153	21%	0.21	C	C	.	.			trans	-70.9	169.7	179.2	70.7	0	0	0	0	112.3	M461 G533 G534 Y535	M461-T531 HydrophobicContact CE-CG2 3.94Å; M461-T531 HydrophobicContact SD-CG2 4.25Å; T531-G533 PolarHBondContact O-N 3.42Å; T531-G533 PolarHBondContact OG1-N 3.14Å; T531-G534 PolarHBondContact O-N 3.37Å; T531-Y535 PolarHBondContact N-O 2.95Å; T531-Y535 WeakPolarHBondContact OG1-CB 3.47Å; T531-Y535 PolarHBondContact OG1-N 3.11Å; T531-Y535 VanDerWaalsContact OG1-N 3.09Å
532	E	93.8	Very high	88.3	Confident	173 Å²	173	39.8 Å²	39.8	81%	0.808	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.8	170.5	-67.6	-168.7	158.1	0	0	113.3	D485 G534	D485-E532 HydrophobicContact CB-CG 4.11Å; E532-G534 PolarHBondContact O-N 3.11Å
533	G	92	Very high	87	Confident	56 Å²	56	42.1 Å²	42.1	58%	0.577	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	1.5	175.4	0	0	0	0	0	114.6	T531	T531-G533 PolarHBondContact O-N 3.42Å; T531-G533 PolarHBondContact OG1-N 3.14Å
534	G	94.4	Very high	85.9	Confident	34 Å²	34	43.1 Å²	43.1	35%	0.351	24%	0.242	S	C	.	.	S	Bend	trans	79.1	15.2	-178.6	0	0	0	0	0	114.8	T531 E532	T531-G534 PolarHBondContact O-N 3.37Å; E532-G534 PolarHBondContact O-N 3.11Å
535	Y	95.8	Very high	85	Confident	38 Å²	38	43.2 Å²	43.2	15%	0.149	24%	0.242	C	C	.	.			trans	-84.7	140.7	177.5	-60.7	-40.2	0	0	0	112	E456 L458 M463 R464 R530 T531	E456-Y535 VanDerWaalsContact CD-OH 3.25Å; E456-Y535 HydrophobicContact CG-CE2 4.42Å; E456-Y535 WeakPolarHBondContact OE1-CE2 3.39Å; E456-Y535 VanDerWaalsContact OE1-CZ 3.28Å; E456-Y535 PolarHBondContact OE1-OH 3.17Å; L458-Y535 HydrophobicContact CD1-CD2 3.63Å; L458-Y535 HydrophobicContact CD1-CE2 4.15Å; M463-Y535 HydrophobicContact CB-CD1 4.02Å; M463-Y535 HydrophobicContact CB-CG 4.28Å; M463-Y535 HydrophobicContact CE-CD1 3.98Å; M463-Y535 HydrophobicContact CE-CD2 3.81Å; M463-Y535 HydrophobicContact CE-CE1 3.91Å; M463-Y535 HydrophobicContact CE-CE2 3.71Å; M463-Y535 HydrophobicContact CE-CG 3.95Å; R464-Y535 HydrophobicContact CG-CD1 4.07Å; R464-Y535 HydrophobicContact CG-CE1 3.94Å; R464-Y535 PolarHBondContact NH2-OH 3.47Å; R530-Y535 CarbonylContact C-O 3.55Å; R530-Y535 VanDerWaalsContact CA-O 3.29Å; R530-Y535 WeakPolarHBondContact CA-O 3.08Å; T531-Y535 PolarHBondContact N-O 2.95Å; T531-Y535 WeakPolarHBondContact OG1-CB 3.47Å; T531-Y535 PolarHBondContact OG1-N 3.11Å; T531-Y535 VanDerWaalsContact OG1-N 3.09Å
536	Y	94.9	Very high	84.7	Confident	14 Å²	14	43 Å²	43	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.8	-179.7	-70.9	-93.5	0	0	0	111.6	I446 M461 M463 P465 P471 L473 L490 H529 R530	I446-Y536 HydrophobicContact CD1-CG 4.42Å; M461-Y536 WeakPolarHBondContact CG-O 3.44Å; M463-Y536 PolarHBondContact N-O 2.92Å; M463-Y536 PolarHBondContact O-N 2.9Å; P465-Y536 HydrophobicContact CG-CD2 4.19Å; P465-Y536 HydrophobicContact CG-CE2 4.11Å; P471-Y536 HydrophobicContact CB-CD1 4.41Å; P471-Y536 HydrophobicContact CB-CE1 3.83Å; P471-Y536 HydrophobicContact CB-CE2 4.35Å; P471-Y536 HydrophobicContact CG-CD1 4.45Å; P471-Y536 HydrophobicContact CG-CD2 4.1Å; P471-Y536 HydrophobicContact CG-CE1 3.89Å; P471-Y536 HydrophobicContact CG-CE2 3.49Å; P471-Y536 VanDerWaalsContact CG-CE2 3.49Å; P471-Y536 PolarHBondContact O-OH 3.31Å; L473-Y536 HydrophobicContact CD1-CE1 4.49Å; L473-Y536 HydrophobicContact CD2-CD1 4.42Å; L473-Y536 HydrophobicContact CD2-CE1 4.11Å; L473-Y536 HydrophobicContact CG-CE1 4.17Å; L490-Y536 HydrophobicContact CD1-CD1 4.27Å; L490-Y536 HydrophobicContact CD1-CE1 4.4Å; H529-Y536 WeakPolarHBondContact O-CA 3.43Å; R530-Y536 HydrophobicContact CB-CD1 4.42Å; R530-Y536 HydrophobicContact CB-CE1 4.13Å; R530-Y536 WeakPolarHBondContact CD-OH 3.34Å; R530-Y536 HydrophobicContact CG-CE1 4.37Å; R530-Y536 HydrophobicContact CG-CE2 4.45Å; R530-Y536 PolarHBondContact NH1-OH 2.91Å
537	Q	88.9	Confident	84.4	Confident	76 Å²	76	43.5 Å²	43.5	36%	0.355	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.1	169	-172.5	176.5	14.5	0	0	109.5	M461 A528 H529 T539	M461-Q537 HydrophobicContact CE-CB 4.04Å; M461-Q537 HydrophobicContact CE-CG 4.46Å; M461-Q537 HydrophobicContact CG-CB 3.94Å; M461-Q537 HydrophobicContact CG-CG 4.36Å; M461-Q537 HydrophobicContact SD-CB 4.43Å; A528-Q537 CarbonylContact C-O 3.38Å; A528-Q537 WeakPolarHBondContact CA-O 3.42Å; A528-Q537 WeakPolarHBondContact CB-O 3.41Å; H529-Q537 HydrophobicContact CB-CB 4.44Å; H529-Q537 PolarHBondContact N-O 2.75Å; H529-Q537 PolarHBondContact O-N 3.5Å; Q537-T539 PolarHBondContact O-N 3.23Å
538	I	85.8	Confident	84.4	Confident	31 Å²	31	43.6 Å²	43.6	16%	0.159	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.5	178.1	-50.3	-60.5	0	0	0	108.7	W436 L490 D526 A528	W436-I538 HydrophobicContact CB-CD1 4.11Å; W436-I538 HydrophobicContact CB-CG1 3.87Å; W436-I538 VanDerWaalsContact CD1-CG1 3.43Å; W436-I538 HydrophobicContact CD2-CD1 3.87Å; W436-I538 HydrophobicContact CD2-CG1 4.46Å; W436-I538 HydrophobicContact CG-CD1 3.55Å; W436-I538 HydrophobicContact CG-CG1 3.63Å; L490-I538 HydrophobicContact CD2-CD1 3.8Å; D526-I538 HydrophobicContact CB-CG2 4.45Å; A528-I538 HydrophobicContact CB-CD1 4.28Å
539	T	76.8	Confident	84.1	Confident	88 Å²	88	45.4 Å²	45.4	54%	0.54	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-12.2	-176.2	59.1	0	0	0	0	113	G527 A528 H529 Q537	G527-T539 PolarHBondContact O-N 2.97Å; G527-T539 PolarHBondContact O-OG1 3.5Å; G527-T539 VanDerWaalsContact O-OG1 3.13Å; A528-T539 PolarHBondContact N-OG1 3.33Å; H529-T539 HydrophobicContact CB-CG2 4.04Å; Q537-T539 PolarHBondContact O-N 3.23Å
540	G	70.3	Confident	83.6	Confident	23 Å²	23	45 Å²	45	24%	0.237	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-175.8	175.8	0	0	0	0	0	113.5	D526 G527	D526-G540 WeakPolarHBondContact CA-O 3.18Å; G527-G540 PolarHBondContact N-O 3.33Å
541	R	74.1	Confident	82.9	Confident	58 Å²	58	44.8 Å²	44.8	22%	0.219	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.8	176.7	-62.8	-59.2	-63.3	164.5	-0.9	110.9	Q438 T524 G525 D526 D543 V545	Q438-R541 VanDerWaalsContact NE2-NH1 3.13Å; T524-R541 PolarHBondContact O-NH1 2.91Å; T524-R541 VanDerWaalsContact O-NH1 3.09Å; G525-R541 PolarHBondContact O-NH1 2.96Å; D526-R541 VanDerWaalsContact CG-NH1 3.27Å; D526-R541 WeakPolarHBondContact OD1-CD 3.32Å; D526-R541 IonicContact OD1-CZ 3.25Å; D526-R541 IonicContact OD1-NE 3.61Å; D526-R541 IonicContact OD1-NH1 3.79Å; D526-R541 PolarHBondContact OD1-NH1 3.25Å; D526-R541 IonicContact OD2-NH1 2.7Å; D526-R541 PolarHBondContact OD2-NH1 3.15Å; R541-D543 IonicContact CZ-OD1 3.68Å; R541-D543 IonicContact CZ-OD2 2.73Å; R541-D543 IonicContact NE-OD1 3.46Å; R541-D543 PolarHBondContact NE-OD1 2.99Å; R541-D543 IonicContact NE-OD2 2.62Å; R541-D543 IonicContact NH2-OD1 3.85Å; R541-D543 PolarHBondContact NH2-OD1 3.35Å; R541-D543 IonicContact NH2-OD2 3.38Å; R541-D543 PolarHBondContact NH2-OD2 2.76Å; R541-V545 WeakPolarHBondContact CG-O 3.46Å
542	M	72.2	Confident	82.3	Confident	101 Å²	101	45.4 Å²	45.4	50%	0.498	26%	0.26	S	S	.	.	S	Bend	trans	-97.4	-12.2	168.6	-67.2	-174.1	68.5	0	0	112.7	A489 F523 G525	A489-M542 WeakPolarHBondContact CA-SD 3.17Å; A489-M542 HydrophobicContact CB-CE 3.98Å; A489-M542 HydrophobicContact CB-SD 3.61Å; F523-M542 HydrophobicContact CE2-SD 4.5Å; F523-M542 HydrophobicContact CZ-CB 4.34Å; G525-M542 PolarHBondContact O-N 3.13Å
543	D	70.4	Confident	81.6	Confident	50 Å²	50	37.3 Å²	37.3	27%	0.267	22%	0.222	S	C	.	.	S	Bend	trans	-101.9	175.9	175.8	68.8	-9.4	0	0	0	112.4	R541 V545	R541-D543 IonicContact CZ-OD1 3.68Å; R541-D543 IonicContact CZ-OD2 2.73Å; R541-D543 IonicContact NE-OD1 3.46Å; R541-D543 PolarHBondContact NE-OD1 2.99Å; R541-D543 IonicContact NE-OD2 2.62Å; R541-D543 IonicContact NH2-OD1 3.85Å; R541-D543 PolarHBondContact NH2-OD1 3.35Å; R541-D543 IonicContact NH2-OD2 3.38Å; R541-D543 PolarHBondContact NH2-OD2 2.76Å; D543-V545 PolarHBondContact O-N 3.49Å; D543-V545 WeakPolarHBondContact OD1-CB 3.46Å; D543-V545 WeakPolarHBondContact OD2-CG2 3.24Å
544	D	71.5	Confident	81	Confident	51 Å²	51	34.6 Å²	34.6	27%	0.273	19%	0.194	S	C	.	.	S	Bend	trans	-82	38.5	-177.4	-70	-30.3	0	0	0	112.5	T555 R638	D544-T555 HydrophobicContact CB-CG2 4.39Å; D544-T555 WeakPolarHBondContact CB-OG1 3.17Å; D544-T555 WeakPolarHBondContact O-CB 3.37Å; D544-T555 VanDerWaalsContact O-CG2 3.25Å; D544-T555 WeakPolarHBondContact O-CG2 3.46Å; D544-T555 PolarHBondContact O-N 2.78Å; D544-T555 PolarHBondContact O-OG1 3.04Å; D544-R638 WeakPolarHBondContact OD1-CD 3.48Å; D544-R638 IonicContact OD2-CZ 3.01Å; D544-R638 IonicContact OD2-NE 2.66Å; D544-R638 IonicContact OD2-NH1 3.44Å; D544-R638 PolarHBondContact OD2-NH1 3.14Å
545	V	74.9	Confident	80.5	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.024	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.9	175.3	177.8	0	0	0	0	109.3	R541 D543 R552 L553	R541-V545 WeakPolarHBondContact CG-O 3.46Å; D543-V545 PolarHBondContact O-N 3.49Å; D543-V545 WeakPolarHBondContact OD1-CB 3.46Å; D543-V545 WeakPolarHBondContact OD2-CG2 3.24Å; V545-R552 HydrophobicContact CG1-CB 4.36Å; V545-L553 CarbonylContact C-O 3.58Å; V545-L553 WeakPolarHBondContact CA-O 3.37Å; V545-L553 WeakPolarHBondContact CG1-O 3.43Å
546	I	84.3	Confident	79.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.1	178.5	-49	171.2	0	0	0	108.7	I548 L553 T555 V573 I574 E583 A585	I546-I548 HydrophobicContact CB-CG1 4.43Å; I546-I548 HydrophobicContact CG2-CD1 4.24Å; I546-I548 HydrophobicContact CG2-CG1 3.68Å; I546-L553 PolarHBondContact N-O 2.96Å; I546-L553 PolarHBondContact O-N 2.91Å; I546-T555 HydrophobicContact CD1-CG2 3.71Å; I546-T555 HydrophobicContact CG1-CG2 3.83Å; I546-V573 HydrophobicContact CD1-CG1 3.88Å; I546-I574 VanDerWaalsContact CD1-C 3.44Å; I546-E583 HydrophobicContact CG2-CB 3.65Å; I546-E583 HydrophobicContact CG2-CG 4.47Å; I546-E583 WeakPolarHBondContact CG2-OE2 3.28Å; I546-A585 HydrophobicContact CD1-CB 4.09Å
547	N	81.3	Confident	78.6	Confident	23 Å²	23	32.1 Å²	32.1	12%	0.123	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	99.9	172.1	-165.6	-21.9	0	0	0	111.5	G410 G550 H551 E583	G410-N547 PolarHBondContact O-ND2 3.42Å; N547-G550 WeakPolarHBondContact OD1-CA 3.4Å; N547-G550 PolarHBondContact OD1-N 2.94Å; N547-G550 VanDerWaalsContact OD1-N 3.08Å; N547-H551 WeakPolarHBondContact CA-O 3.14Å; N547-H551 PolarHBondContact OD1-N 3.33Å; N547-E583 PolarHBondContact N-OE2 2.69Å; N547-E583 WeakPolarHBondContact O-CB 3.47Å; N547-E583 PolarHBondContact O-N 3.49Å
548	I	87	Confident	78.5	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.1	-178.6	-52.5	-178.1	0	0	0	108.7	I546 G550 H551 L553 K581 A585	I546-I548 HydrophobicContact CB-CG1 4.43Å; I546-I548 HydrophobicContact CG2-CD1 4.24Å; I546-I548 HydrophobicContact CG2-CG1 3.68Å; I548-G550 VanDerWaalsContact C-N 3.26Å; I548-G550 PolarHBondContact O-N 3.33Å; I548-H551 PolarHBondContact N-O 3.12Å; I548-H551 VanDerWaalsContact O-CB 3.31Å; I548-H551 WeakPolarHBondContact O-CB 3.48Å; I548-H551 PolarHBondContact O-CD2 2.96Å; I548-H551 PolarHBondContact O-N 3.36Å; I548-L553 HydrophobicContact CD1-CD1 3.95Å; I548-L553 HydrophobicContact CG1-CD1 4.44Å; I548-K581 HydrophobicContact CG2-CB 4.39Å; I548-K581 HydrophobicContact CG2-CD 4.1Å; I548-A585 HydrophobicContact CD1-CB 3.91Å
549	S	84.3	Confident	78.5	Confident	38 Å²	38	28.1 Å²	28.1	27%	0.266	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.6	179.8	-53.4	0	0	0	0	113.9	T382 H551 K581	T382-S549 WeakPolarHBondContact OG1-CA 3.48Å; S549-H551 VanDerWaalsContact C-N 3.28Å; S549-H551 PolarHBondContact O-N 3.06Å; S549-K581 WeakPolarHBondContact CA-O 3.49Å; S549-K581 PolarHBondContact N-O 3.09Å
550	G	76.8	Confident	78.4	Confident	25 Å²	25	28 Å²	28	26%	0.258	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-5.1	-174.9	0	0	0	0	0	114.8	N547 I548	N547-G550 WeakPolarHBondContact OD1-CA 3.4Å; N547-G550 PolarHBondContact OD1-N 2.94Å; N547-G550 VanDerWaalsContact OD1-N 3.08Å; I548-G550 VanDerWaalsContact C-N 3.26Å; I548-G550 PolarHBondContact O-N 3.33Å
551	H	80	Confident	79.1	Confident	30 Å²	30	27.1 Å²	27.1	14%	0.139	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.6	177.7	-56.2	-64	0	0	0	110.9	F189 W332 N547 I548 S549 Y616	F189-H551 AromaticContact CE1-CE1 3.88Å; W332-H551 AromaticContact CE2-CE1 3.73Å; W332-H551 AromaticContact CE2-ND1 3.28Å; W332-H551 VanDerWaalsContact CE2-ND1 3.28Å; W332-H551 HydrophobicContact CH2-CB 4.23Å; W332-H551 AromaticContact CH2-ND1 3.53Å; W332-H551 HydrophobicContact CZ2-CB 4.44Å; W332-H551 AromaticContact CZ2-CE1 3.55Å; W332-H551 AromaticContact CZ2-CG 3.96Å; W332-H551 AromaticContact CZ2-ND1 2.89Å; W332-H551 WeakPolarHBondContact CZ2-ND1 3.34Å; W332-H551 AromaticContact NE1-CE1 3.65Å; W332-H551 AromaticContact NE1-ND1 3.68Å; N547-H551 WeakPolarHBondContact CA-O 3.14Å; N547-H551 PolarHBondContact OD1-N 3.33Å; I548-H551 PolarHBondContact N-O 3.12Å; I548-H551 VanDerWaalsContact O-CB 3.31Å; I548-H551 WeakPolarHBondContact O-CB 3.48Å; I548-H551 PolarHBondContact O-CD2 2.96Å; I548-H551 PolarHBondContact O-N 3.36Å; S549-H551 VanDerWaalsContact C-N 3.28Å; S549-H551 PolarHBondContact O-N 3.06Å; H551-Y616 HydrophobicContact CB-CD2 3.97Å; H551-Y616 HydrophobicContact CB-CE2 3.37Å; H551-Y616 AromaticContact CD2-CD2 3.63Å; H551-Y616 AromaticContact CD2-CE2 3.74Å; H551-Y616 AromaticContact CD2-CG 3.88Å; H551-Y616 AromaticContact CG-CD2 3.99Å; H551-Y616 AromaticContact CG-CE2 3.62Å; H551-Y616 AromaticContact CG-CZ 3.85Å
552	R	78.5	Confident	79.8	Confident	38 Å²	38	24.4 Å²	24.4	14%	0.143	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125	173	-64.1	-171.7	72.4	175	0.7	110.1	S288 E440 V545	S288-R552 PolarHBondContact OG-O 2.89Å; E440-R552 IonicContact OE1-NH1 3.75Å; E440-R552 IonicContact OE2-NH1 3.38Å; E440-R552 PolarHBondContact OE2-NH1 2.89Å; E440-R552 VanDerWaalsContact OE2-NH1 3.09Å; V545-R552 HydrophobicContact CG1-CB 4.36Å
553	L	79.7	Confident	79.8	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.1	175	-69.3	170.3	0	0	0	109.9	S288 V545 I546 I548 I558 I613 Y616 A617	S288-L553 WeakPolarHBondContact OG-CA 3.43Å; V545-L553 CarbonylContact C-O 3.58Å; V545-L553 WeakPolarHBondContact CA-O 3.37Å; V545-L553 WeakPolarHBondContact CG1-O 3.43Å; I546-L553 PolarHBondContact N-O 2.96Å; I546-L553 PolarHBondContact O-N 2.91Å; I548-L553 HydrophobicContact CD1-CD1 3.95Å; I548-L553 HydrophobicContact CG1-CD1 4.44Å; L553-I558 HydrophobicContact CB-CD1 4.5Å; L553-I558 HydrophobicContact CD1-CD1 4.33Å; L553-I613 HydrophobicContact CD2-CG2 3.99Å; L553-Y616 HydrophobicContact CD1-CD2 4.09Å; L553-Y616 HydrophobicContact CD1-CE2 3.71Å; L553-Y616 HydrophobicContact CD2-CE2 4.1Å; L553-Y616 HydrophobicContact CG-CE2 4.06Å; L553-A617 HydrophobicContact CD1-CB 3.49Å; L553-A617 VanDerWaalsContact CD1-CB 3.49Å; L553-A617 HydrophobicContact CD2-CB 4.3Å
554	G	78.4	Confident	80	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.3	167.9	0	0	0	0	0	109.4	A556 E557 I558	G554-A556 PolarHBondContact O-N 3.17Å; G554-E557 WeakPolarHBondContact O-CB 3.42Å; G554-E557 PolarHBondContact O-N 2.87Å; G554-E557 VanDerWaalsContact O-N 3.1Å; G554-I558 PolarHBondContact O-N 3.31Å
555	T	84	Confident	80.6	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-54.2	-41.9	167.5	51.2	0	0	0	0	110.7	D544 I546 E557 I558 E559 V573	D544-T555 HydrophobicContact CB-CG2 4.39Å; D544-T555 WeakPolarHBondContact CB-OG1 3.17Å; D544-T555 WeakPolarHBondContact O-CB 3.37Å; D544-T555 VanDerWaalsContact O-CG2 3.25Å; D544-T555 WeakPolarHBondContact O-CG2 3.46Å; D544-T555 PolarHBondContact O-N 2.78Å; D544-T555 PolarHBondContact O-OG1 3.04Å; I546-T555 HydrophobicContact CD1-CG2 3.71Å; I546-T555 HydrophobicContact CG1-CG2 3.83Å; T555-E557 VanDerWaalsContact C-N 3.32Å; T555-E557 PolarHBondContact O-N 3.46Å; T555-I558 PolarHBondContact O-N 3.34Å; T555-I558 VanDerWaalsContact O-N 3.14Å; T555-E559 VanDerWaalsContact O-CG 3.25Å; T555-E559 WeakPolarHBondContact O-CG 3.34Å; T555-E559 PolarHBondContact O-N 3.18Å; T555-V573 WeakPolarHBondContact CB-O 3.41Å; T555-V573 HydrophobicContact CG2-CB 4.31Å; T555-V573 HydrophobicContact CG2-CG1 4.27Å; T555-V573 WeakPolarHBondContact CG2-O 3.03Å
556	A	72.7	Confident	81.1	Confident	11 Å²	11	29.5 Å²	29.5	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-37.6	175.6	0	0	0	0	0	113.4	S290 G554 I558 E559 D560	S290-A556 WeakPolarHBondContact O-CB 3.25Å; G554-A556 PolarHBondContact O-N 3.17Å; A556-I558 VanDerWaalsContact C-N 3.3Å; A556-I558 PolarHBondContact O-N 3.01Å; A556-E559 PolarHBondContact O-N 2.95Å; A556-D560 VanDerWaalsContact O-CB 3.32Å; A556-D560 WeakPolarHBondContact O-CB 3.26Å; A556-D560 PolarHBondContact O-N 2.61Å
557	E	79.1	Confident	81.3	Confident	20 Å²	20	30 Å²	30	9%	0.093	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-40.4	177.3	-166	179.5	175	0	0	110.7	S288 G554 T555 A561 I613	S288-E557 VanDerWaalsContact CB-OE2 3.28Å; S288-E557 WeakPolarHBondContact CB-OE2 3.43Å; S288-E557 PolarHBondContact OG-OE2 2.76Å; G554-E557 WeakPolarHBondContact O-CB 3.42Å; G554-E557 PolarHBondContact O-N 2.87Å; G554-E557 VanDerWaalsContact O-N 3.1Å; T555-E557 VanDerWaalsContact C-N 3.32Å; T555-E557 PolarHBondContact O-N 3.46Å; E557-A561 PolarHBondContact O-N 2.97Å; E557-I613 HydrophobicContact CB-CD1 4.48Å; E557-I613 HydrophobicContact CG-CD1 3.95Å; E557-I613 HydrophobicContact CG-CG1 4.38Å; E557-I613 WeakPolarHBondContact O-CD1 3.36Å
558	I	87.2	Confident	81.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-42.8	175.5	-56.9	173.5	0	0	0	110.8	L553 G554 T555 A556 A561 M562 V573 A585 V609 I613 P619	L553-I558 HydrophobicContact CB-CD1 4.5Å; L553-I558 HydrophobicContact CD1-CD1 4.33Å; G554-I558 PolarHBondContact O-N 3.31Å; T555-I558 PolarHBondContact O-N 3.34Å; T555-I558 VanDerWaalsContact O-N 3.14Å; A556-I558 VanDerWaalsContact C-N 3.3Å; A556-I558 PolarHBondContact O-N 3.01Å; I558-A561 PolarHBondContact O-N 2.84Å; I558-M562 HydrophobicContact CG2-SD 4.09Å; I558-M562 WeakPolarHBondContact O-CG 3.24Å; I558-M562 PolarHBondContact O-N 3.2Å; I558-V573 HydrophobicContact CB-CG1 4.39Å; I558-V573 HydrophobicContact CB-CG2 4.19Å; I558-V573 HydrophobicContact CD1-CG1 4.15Å; I558-V573 HydrophobicContact CG2-CG1 4.35Å; I558-V573 HydrophobicContact CG2-CG2 3.86Å; I558-A585 HydrophobicContact CD1-CB 3.84Å; I558-V609 HydrophobicContact CG2-CG1 4.33Å; I558-V609 HydrophobicContact CG2-CG2 4.18Å; I558-I613 HydrophobicContact CG1-CD1 4.09Å; I558-P619 HydrophobicContact CG2-CG 3.86Å
559	E	85	Confident	81.1	Confident	23 Å²	23	32.4 Å²	32.4	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-45.3	176.6	-69.3	163.9	-178.1	0	0	111.2	T555 A556 A561 M562 A563 T571 A572 V573 R638	T555-E559 VanDerWaalsContact O-CG 3.25Å; T555-E559 WeakPolarHBondContact O-CG 3.34Å; T555-E559 PolarHBondContact O-N 3.18Å; A556-E559 PolarHBondContact O-N 2.95Å; E559-A561 VanDerWaalsContact C-N 3.33Å; E559-A561 PolarHBondContact O-N 2.87Å; E559-M562 CarbonylContact O-C 3.48Å; E559-M562 WeakPolarHBondContact O-CA 3.47Å; E559-M562 WeakPolarHBondContact O-CB 3.37Å; E559-M562 PolarHBondContact O-N 3.39Å; E559-A563 WeakPolarHBondContact O-CB 3.35Å; E559-A563 PolarHBondContact O-N 2.99Å; E559-T571 HydrophobicContact CG-CG2 4.12Å; E559-A572 WeakPolarHBondContact OE1-CA 3.44Å; E559-V573 HydrophobicContact CG-CB 3.97Å; E559-V573 HydrophobicContact CG-CG2 3.63Å; E559-V573 PolarHBondContact OE1-N 2.61Å; E559-R638 IonicContact OE1-CZ 3.7Å; E559-R638 IonicContact OE1-NE 2.74Å; E559-R638 PolarHBondContact OE1-NE 3.14Å; E559-R638 IonicContact OE1-NH2 3.94Å; E559-R638 PolarHBondContact OE1-NH2 3.26Å; E559-R638 IonicContact OE2-CZ 3.55Å; E559-R638 IonicContact OE2-NH2 3.64Å; E559-R638 PolarHBondContact OE2-NH2 3.48Å
560	D	75.6	Confident	81.1	Confident	87 Å²	87	33.5 Å²	33.5	47%	0.465	20%	0.198	S	C	.	.	H	α-helix	trans	-62.3	-39.6	177	-72.4	-17.7	0	0	0	111.5	G292 A556 M562 A563	G292-D560 VanDerWaalsContact CA-OD2 3.3Å; G292-D560 WeakPolarHBondContact CA-OD2 3.41Å; A556-D560 VanDerWaalsContact O-CB 3.32Å; A556-D560 WeakPolarHBondContact O-CB 3.26Å; A556-D560 PolarHBondContact O-N 2.61Å; D560-M562 PolarHBondContact O-N 2.73Å; D560-A563 PolarHBondContact O-N 3.15Å
561	A	84.5	Confident	81.7	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-26.7	174.5	0	0	0	0	0	112.8	E557 I558 E559 S608 V609 K612 I613	E557-A561 PolarHBondContact O-N 2.97Å; I558-A561 PolarHBondContact O-N 2.84Å; E559-A561 VanDerWaalsContact C-N 3.33Å; E559-A561 PolarHBondContact O-N 2.87Å; A561-S608 PolarHBondContact O-OG 2.76Å; A561-V609 HydrophobicContact CB-CG2 4.08Å; A561-K612 HydrophobicContact CB-CB 4.08Å; A561-K612 HydrophobicContact CB-CD 3.88Å; A561-I613 HydrophobicContact CB-CD1 3.95Å; A561-I613 HydrophobicContact CB-CG1 4.14Å
562	M	87.7	Confident	82.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-91.6	-25.4	178	-67	177.1	71.4	0	0	113.1	I558 E559 D560 D564 H565 T571 V573 A587 I589 L605 V609 P619 I622	I558-M562 HydrophobicContact CG2-SD 4.09Å; I558-M562 WeakPolarHBondContact O-CG 3.24Å; I558-M562 PolarHBondContact O-N 3.2Å; E559-M562 CarbonylContact O-C 3.48Å; E559-M562 WeakPolarHBondContact O-CA 3.47Å; E559-M562 WeakPolarHBondContact O-CB 3.37Å; E559-M562 PolarHBondContact O-N 3.39Å; D560-M562 PolarHBondContact O-N 2.73Å; M562-D564 VanDerWaalsContact C-N 3.29Å; M562-D564 PolarHBondContact O-N 2.8Å; M562-H565 WeakPolarHBondContact O-CB 3.34Å; M562-H565 PolarHBondContact O-N 3.46Å; M562-T571 HydrophobicContact CB-CG2 4.24Å; M562-T571 HydrophobicContact CE-CG2 3.9Å; M562-T571 HydrophobicContact SD-CG2 3.86Å; M562-V573 HydrophobicContact SD-CG2 4.47Å; M562-A587 HydrophobicContact CE-CB 3.83Å; M562-A587 HydrophobicContact SD-CB 4.04Å; M562-I589 HydrophobicContact CE-CG2 3.55Å; M562-L605 HydrophobicContact CB-CD2 3.77Å; M562-L605 HydrophobicContact CE-CB 4.08Å; M562-L605 HydrophobicContact CE-CD1 3.77Å; M562-L605 HydrophobicContact CE-CD2 4.06Å; M562-L605 HydrophobicContact CE-CG 4.21Å; M562-L605 HydrophobicContact CG-CD2 4Å; M562-V609 HydrophobicContact CG-CG2 3.55Å; M562-V609 HydrophobicContact SD-CG2 4.15Å; M562-P619 HydrophobicContact SD-CG 4.26Å; M562-I622 HydrophobicContact CE-CD1 4.14Å; M562-I622 HydrophobicContact CE-CG2 4.49Å
563	A	73.5	Confident	82.8	Confident	57 Å²	57	30.1 Å²	30.1	47%	0.471	18%	0.178	S	C	.	.	H	α-helix	trans	-65.2	-26.9	-172.5	0	0	0	0	0	114	E559 D560 H565	E559-A563 WeakPolarHBondContact O-CB 3.35Å; E559-A563 PolarHBondContact O-N 2.99Å; D560-A563 PolarHBondContact O-N 3.15Å; A563-H565 PolarHBondContact O-N 3.23Å
564	D	73.4	Confident	83.4	Confident	125 Å²	125	30 Å²	30	67%	0.668	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.5	178.1	-74.1	-12.9	0	0	0	113.6	M562 K612	M562-D564 VanDerWaalsContact C-N 3.29Å; M562-D564 PolarHBondContact O-N 2.8Å; D564-K612 VanDerWaalsContact CG-NZ 3.33Å; D564-K612 IonicContact OD2-NZ 3.88Å; D564-K612 PolarHBondContact OD2-NZ 3.13Å
565	H	84.5	Confident	84	Confident	30 Å²	30	30 Å²	30	14%	0.139	18%	0.178	C	C	.	.			trans	-74.3	121.9	-177.8	-164.1	-78.3	0	0	0	111.3	M562 A563 A567 V568 E604 L605	M562-H565 WeakPolarHBondContact O-CB 3.34Å; M562-H565 PolarHBondContact O-N 3.46Å; A563-H565 PolarHBondContact O-N 3.23Å; H565-A567 PolarHBondContact ND1-N 3.29Å; H565-A567 PolarHBondContact O-N 3.01Å; H565-V568 HydrophobicContact CB-CB 4.15Å; H565-V568 HydrophobicContact CB-CG2 4.02Å; H565-V568 PolarHBondContact O-N 3.48Å; H565-E604 IonicContact CE1-OE2 3.58Å; H565-E604 IonicContact NE2-OE2 2.78Å; H565-E604 PolarHBondContact NE2-OE2 3.43Å; H565-L605 HydrophobicContact CB-CD2 3.65Å
566	P	85	Confident	84.3	Confident	102 Å²	102	31.5 Å²	31.5	66%	0.662	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23	-170.4	24.1	-34.5	0	0	0	114.1	K592	P566-K592 WeakPolarHBondContact O-CD 3.3Å; P566-K592 VanDerWaalsContact O-CE 3.24Å; P566-K592 WeakPolarHBondContact O-CE 3.33Å; P566-K592 PolarHBondContact O-NZ 2.84Å
567	A	88.7	Confident	85	Confident	9 Å²	9	35.3 Å²	35.3	7%	0.074	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11	177.6	0	0	0	0	0	114.8	H565 P569 L591 K592 I595 V601	H565-A567 PolarHBondContact ND1-N 3.29Å; H565-A567 PolarHBondContact O-N 3.01Å; A567-P569 VanDerWaalsContact O-CD 3.25Å; A567-P569 WeakPolarHBondContact O-CD 3.28Å; A567-L591 WeakPolarHBondContact O-CA 3.41Å; A567-K592 PolarHBondContact O-N 2.62Å; A567-I595 HydrophobicContact CB-CD1 3.56Å; A567-I595 HydrophobicContact CB-CG1 4.22Å; A567-V601 HydrophobicContact CB-CG1 4.33Å; A567-V601 HydrophobicContact CB-CG2 4.14Å
568	V	86.7	Confident	85.5	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.03	21%	0.213	C	C	.	.			trans	-118.1	89.6	-166.2	-177.6	0	0	0	0	110	H565 E570 T571 I589 L591 V601 L605	H565-V568 HydrophobicContact CB-CB 4.15Å; H565-V568 HydrophobicContact CB-CG2 4.02Å; H565-V568 PolarHBondContact O-N 3.48Å; V568-E570 VanDerWaalsContact C-N 3.32Å; V568-E570 PolarHBondContact O-N 3.46Å; V568-T571 VanDerWaalsContact CG1-OG1 3.32Å; V568-T571 WeakPolarHBondContact CG1-OG1 3.38Å; V568-I589 HydrophobicContact CG1-CB 4.05Å; V568-I589 HydrophobicContact CG1-CG2 4.1Å; V568-L591 HydrophobicContact CG2-CD2 3.82Å; V568-V601 HydrophobicContact CG2-CG1 3.73Å; V568-L605 HydrophobicContact CG2-CD1 3.9Å; V568-L605 HydrophobicContact CG2-CD2 4.16Å; V568-L605 HydrophobicContact CG2-CG 4.36Å
569	P	78.8	Confident	85.4	Confident	73 Å²	73	42.3 Å²	42.3	47%	0.474	24%	0.244	S	C	.	.	S	Bend	trans	-67.6	-29.7	178.8	24.7	-37.9	0	0	0	113.8	A567 V590 K592	A567-P569 VanDerWaalsContact O-CD 3.25Å; A567-P569 WeakPolarHBondContact O-CD 3.28Å; P569-V590 WeakPolarHBondContact CD-O 3.27Å; P569-V590 HydrophobicContact CG-CB 4.44Å; P569-V590 HydrophobicContact CG-CG1 4.28Å; P569-K592 HydrophobicContact CG-CG 4.31Å
570	E	84.4	Confident	85.4	Confident	61 Å²	61	43.7 Å²	43.7	29%	0.285	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.4	-176.9	-56.7	-170.6	-145.2	0	0	111.4	V568 V590 L628 K630	V568-E570 VanDerWaalsContact C-N 3.32Å; V568-E570 PolarHBondContact O-N 3.46Å; E570-V590 HydrophobicContact CB-CB 4.09Å; E570-V590 HydrophobicContact CB-CG2 4.06Å; E570-V590 PolarHBondContact O-N 3.01Å; E570-L628 HydrophobicContact CB-CD1 3.9Å; E570-K630 IonicContact OE1-NZ 2.65Å; E570-K630 PolarHBondContact OE1-NZ 2.82Å; E570-K630 WeakPolarHBondContact OE2-CE 3.49Å; E570-K630 IonicContact OE2-NZ 2.58Å; E570-K630 PolarHBondContact OE2-NZ 3.4Å
571	T	89.2	Confident	86	Confident	21 Å²	21	42 Å²	42	13%	0.129	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.5	172.3	-60.2	0	0	0	0	109	E559 M562 V568 V573 F588 I589	E559-T571 HydrophobicContact CG-CG2 4.12Å; M562-T571 HydrophobicContact CB-CG2 4.24Å; M562-T571 HydrophobicContact CE-CG2 3.9Å; M562-T571 HydrophobicContact SD-CG2 3.86Å; V568-T571 VanDerWaalsContact CG1-OG1 3.32Å; V568-T571 WeakPolarHBondContact CG1-OG1 3.38Å; T571-V573 HydrophobicContact CG2-CG2 4.06Å; T571-F588 CarbonylContact C-O 3.39Å; T571-F588 VanDerWaalsContact CA-O 3.3Å; T571-F588 WeakPolarHBondContact CA-O 3.46Å; T571-I589 HydrophobicContact CG2-CG2 4.14Å
572	A	90.3	Very high	86	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.1	164.1	0	0	0	0	0	109.7	E559 A587 F588 L628 V636 L641	E559-A572 WeakPolarHBondContact OE1-CA 3.44Å; A572-A587 CarbonylContact O-C 3.58Å; A572-A587 WeakPolarHBondContact O-CA 3.2Å; A572-F588 PolarHBondContact N-O 3.18Å; A572-F588 PolarHBondContact O-N 2.78Å; A572-L628 HydrophobicContact CB-CD1 3.82Å; A572-L628 HydrophobicContact CB-CD2 3.87Å; A572-L628 HydrophobicContact CB-CG 4.48Å; A572-V636 HydrophobicContact CB-CG1 3.84Å; A572-L641 HydrophobicContact CB-CD1 3.74Å
573	V	91.7	Very high	86.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.2	178.1	179.4	0	0	0	0	109.2	I546 T555 I558 E559 M562 T571 A585 F586 A587 R638	I546-V573 HydrophobicContact CD1-CG1 3.88Å; T555-V573 WeakPolarHBondContact CB-O 3.41Å; T555-V573 HydrophobicContact CG2-CB 4.31Å; T555-V573 HydrophobicContact CG2-CG1 4.27Å; T555-V573 WeakPolarHBondContact CG2-O 3.03Å; I558-V573 HydrophobicContact CB-CG1 4.39Å; I558-V573 HydrophobicContact CB-CG2 4.19Å; I558-V573 HydrophobicContact CD1-CG1 4.15Å; I558-V573 HydrophobicContact CG2-CG1 4.35Å; I558-V573 HydrophobicContact CG2-CG2 3.86Å; E559-V573 HydrophobicContact CG-CB 3.97Å; E559-V573 HydrophobicContact CG-CG2 3.63Å; E559-V573 PolarHBondContact OE1-N 2.61Å; M562-V573 HydrophobicContact SD-CG2 4.47Å; T571-V573 HydrophobicContact CG2-CG2 4.06Å; V573-A585 HydrophobicContact CG1-CB 3.92Å; V573-F586 WeakPolarHBondContact CA-O 3.48Å; V573-A587 HydrophobicContact CG2-CB 3.96Å; V573-R638 PolarHBondContact O-NE 3.26Å
574	I	91.3	Very high	87	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.9	171.1	66.7	169.9	0	0	0	110.2	I546 F586 F588 R638 L641 R642 I645	I546-I574 VanDerWaalsContact CD1-C 3.44Å; I574-F586 HydrophobicContact CD1-CB 4.49Å; I574-F586 HydrophobicContact CG1-CB 3.87Å; I574-F586 PolarHBondContact N-O 3.45Å; I574-F586 PolarHBondContact O-N 2.66Å; I574-F588 HydrophobicContact CD1-CE2 3.87Å; I574-F588 HydrophobicContact CD1-CZ 4.33Å; I574-F588 HydrophobicContact CG1-CE2 3.97Å; I574-R638 HydrophobicContact CG2-CB 3.93Å; I574-R638 HydrophobicContact CG2-CG 4.14Å; I574-L641 HydrophobicContact CD1-CB 4.17Å; I574-L641 HydrophobicContact CG2-CB 3.99Å; I574-L641 HydrophobicContact CG2-CD1 4.38Å; I574-R642 HydrophobicContact CD1-CB 3.98Å; I574-R642 HydrophobicContact CD1-CG 4.4Å; I574-I645 HydrophobicContact CD1-CB 4.49Å; I574-I645 HydrophobicContact CD1-CG1 4.07Å
575	G	90.1	Very high	87.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.4	161.2	0	0	0	0	0	110.2	A584 R642	G575-A584 WeakPolarHBondContact CA-O 3.3Å; G575-R642 PolarHBondContact O-NH1 2.79Å
576	Y	90	Very high	88.4	Confident	33 Å²	33	34.9 Å²	34.9	13%	0.129	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154	166.3	77.7	-76.9	0	0	0	110.3	H578 E583 A584 F586 D620 Q621 I645	Y576-H578 PolarHBondContact O-N 3.36Å; Y576-E583 VanDerWaalsContact O-CA 3.26Å; Y576-E583 WeakPolarHBondContact O-CA 3.48Å; Y576-A584 HydrophobicContact CD1-CB 4.16Å; Y576-A584 WeakPolarHBondContact CD1-O 3.28Å; Y576-A584 HydrophobicContact CE1-CB 3.47Å; Y576-A584 VanDerWaalsContact CE1-CB 3.47Å; Y576-A584 PolarHBondContact N-O 3.22Å; Y576-A584 PolarHBondContact O-N 3.47Å; Y576-F586 HydrophobicContact CD1-CB 3.67Å; Y576-F586 HydrophobicContact CD1-CD2 4.19Å; Y576-F586 HydrophobicContact CD1-CG 4.45Å; Y576-F586 HydrophobicContact CE1-CB 4.09Å; Y576-F586 HydrophobicContact CE1-CD2 4.26Å; Y576-F586 HydrophobicContact CG-CB 4.48Å; Y576-D620 WeakPolarHBondContact OH-CB 3.44Å; Y576-Q621 HydrophobicContact CE1-CG 4.34Å; Y576-I645 HydrophobicContact CG-CG2 4.45Å
577	P	88.3	Confident	89	Confident	91 Å²	91	30 Å²	30	59%	0.591	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	134.8	-179.3	-23.5	34.3	0	0	0	112.3	T646	P577-T646 HydrophobicContact CG-CG2 4.3Å
578	H	89.7	Confident	89.3	Confident	45 Å²	45	29.6 Å²	29.6	21%	0.208	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.5	175.1	-177.3	-52.5	0	0	0	110.5	R385 Y576 I580 K581 G582 A584 D620	R385-H578 PolarHBondContact NH1-O 2.87Å; Y576-H578 PolarHBondContact O-N 3.36Å; H578-I580 VanDerWaalsContact C-N 3.33Å; H578-I580 PolarHBondContact ND1-N 2.99Å; H578-I580 PolarHBondContact O-N 3.13Å; H578-I580 VanDerWaalsContact O-N 3.14Å; H578-K581 HydrophobicContact CB-CB 4.24Å; H578-K581 PolarHBondContact ND1-N 2.92Å; H578-K581 VanDerWaalsContact ND1-N 3.18Å; H578-K581 PolarHBondContact O-N 3.2Å; H578-G582 PolarHBondContact N-O 3.27Å; H578-G582 CarbonylContact O-C 3.46Å; H578-G582 PolarHBondContact O-N 3.38Å; H578-A584 HydrophobicContact CB-CB 3.92Å; H578-D620 IonicContact CD2-OD2 2.74Å; H578-D620 PolarHBondContact CD2-OD2 2.69Å; H578-D620 IonicContact NE2-OD2 3.59Å
579	D	85.3	Confident	89.7	Confident	123 Å²	123	29.3 Å²	29.3	66%	0.658	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-45.7	-173.7	-59.9	-11.9	0	0	0	114.3	R385	R385-D579 WeakPolarHBondContact CD-O 2.87Å; R385-D579 PolarHBondContact NH1-O 2.93Å
580	I	85.7	Confident	90.2	Very high	51 Å²	51	26.6 Å²	26.6	26%	0.262	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-50.9	-179.4	-54.2	178	0	0	0	112.4	R385 L386 K389 H578 G582	R385-I580 PolarHBondContact NH1-O 3.5Å; L386-I580 HydrophobicContact CB-CG2 4.31Å; K389-I580 HydrophobicContact CD-CD1 4.13Å; K389-I580 HydrophobicContact CD-CG1 4.11Å; K389-I580 VanDerWaalsContact NZ-CG1 3.35Å; H578-I580 VanDerWaalsContact C-N 3.33Å; H578-I580 PolarHBondContact ND1-N 2.99Å; H578-I580 PolarHBondContact O-N 3.13Å; H578-I580 VanDerWaalsContact O-N 3.14Å; I580-G582 PolarHBondContact O-N 3.35Å
581	K	87.7	Confident	90.5	Very high	52 Å²	52	24.9 Å²	24.9	23%	0.226	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.2	-169	-59.6	177.5	-175.6	169.7	0	115	I548 S549 H578 E583 A584 D620	I548-K581 HydrophobicContact CG2-CB 4.39Å; I548-K581 HydrophobicContact CG2-CD 4.1Å; S549-K581 WeakPolarHBondContact CA-O 3.49Å; S549-K581 PolarHBondContact N-O 3.09Å; H578-K581 HydrophobicContact CB-CB 4.24Å; H578-K581 PolarHBondContact ND1-N 2.92Å; H578-K581 VanDerWaalsContact ND1-N 3.18Å; H578-K581 PolarHBondContact O-N 3.2Å; K581-E583 VanDerWaalsContact C-N 3.31Å; K581-E583 VanDerWaalsContact CB-O 3.28Å; K581-E583 WeakPolarHBondContact CB-O 3.4Å; K581-E583 PolarHBondContact O-N 3.41Å; K581-A584 HydrophobicContact CD-CB 4.43Å; K581-D620 IonicContact NZ-OD1 3.64Å; K581-D620 PolarHBondContact NZ-OD1 3.36Å; K581-D620 IonicContact NZ-OD2 2.78Å; K581-D620 PolarHBondContact NZ-OD2 3.05Å
582	G	84	Confident	90.4	Very high	19 Å²	19	29.4 Å²	29.4	20%	0.196	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.6	-77	-171.2	0	0	0	0	0	109	R385 H578 I580	R385-G582 VanDerWaalsContact NH2-N 3.18Å; H578-G582 PolarHBondContact N-O 3.27Å; H578-G582 CarbonylContact O-C 3.46Å; H578-G582 PolarHBondContact O-N 3.38Å; I580-G582 PolarHBondContact O-N 3.35Å
583	E	89.1	Confident	90	Very high	42 Å²	42	36.5 Å²	36.5	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.5	166.7	-56.3	-176.2	115.2	0	0	110.4	I546 N547 Y576 K581 R642	I546-E583 HydrophobicContact CG2-CB 3.65Å; I546-E583 HydrophobicContact CG2-CG 4.47Å; I546-E583 WeakPolarHBondContact CG2-OE2 3.28Å; N547-E583 PolarHBondContact N-OE2 2.69Å; N547-E583 WeakPolarHBondContact O-CB 3.47Å; N547-E583 PolarHBondContact O-N 3.49Å; Y576-E583 VanDerWaalsContact O-CA 3.26Å; Y576-E583 WeakPolarHBondContact O-CA 3.48Å; K581-E583 VanDerWaalsContact C-N 3.31Å; K581-E583 VanDerWaalsContact CB-O 3.28Å; K581-E583 WeakPolarHBondContact CB-O 3.4Å; K581-E583 PolarHBondContact O-N 3.41Å; E583-R642 IonicContact OE1-NH1 3.05Å; E583-R642 PolarHBondContact OE1-NH1 3.39Å
584	A	92.3	Very high	89.3	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.5	162.7	0	0	0	0	0	109.2	G575 Y576 H578 K581 D620	G575-A584 WeakPolarHBondContact CA-O 3.3Å; Y576-A584 HydrophobicContact CD1-CB 4.16Å; Y576-A584 WeakPolarHBondContact CD1-O 3.28Å; Y576-A584 HydrophobicContact CE1-CB 3.47Å; Y576-A584 VanDerWaalsContact CE1-CB 3.47Å; Y576-A584 PolarHBondContact N-O 3.22Å; Y576-A584 PolarHBondContact O-N 3.47Å; H578-A584 HydrophobicContact CB-CB 3.92Å; K581-A584 HydrophobicContact CD-CB 4.43Å; A584-D620 HydrophobicContact CB-CB 4.3Å; A584-D620 WeakPolarHBondContact CB-OD2 3.41Å
585	A	93.5	Very high	88.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.2	175.4	0	0	0	0	0	110.4	I546 I548 I558 V573 P619 D620	I546-A585 HydrophobicContact CD1-CB 4.09Å; I548-A585 HydrophobicContact CD1-CB 3.91Å; I558-A585 HydrophobicContact CD1-CB 3.84Å; V573-A585 HydrophobicContact CG1-CB 3.92Å; A585-P619 HydrophobicContact CB-CB 4.25Å; A585-P619 HydrophobicContact CB-CG 4.31Å; A585-P619 WeakPolarHBondContact O-CA 3.48Å; A585-D620 PolarHBondContact O-N 3.46Å; A585-D620 VanDerWaalsContact O-N 3.1Å
586	F	95.5	Very high	88.1	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.2	169.8	-162.2	-64.5	0	0	0	107.8	V573 I574 Y576 F588 Q621 L623 I645 F671 Y674	V573-F586 WeakPolarHBondContact CA-O 3.48Å; I574-F586 HydrophobicContact CD1-CB 4.49Å; I574-F586 HydrophobicContact CG1-CB 3.87Å; I574-F586 PolarHBondContact N-O 3.45Å; I574-F586 PolarHBondContact O-N 2.66Å; Y576-F586 HydrophobicContact CD1-CB 3.67Å; Y576-F586 HydrophobicContact CD1-CD2 4.19Å; Y576-F586 HydrophobicContact CD1-CG 4.45Å; Y576-F586 HydrophobicContact CE1-CB 4.09Å; Y576-F586 HydrophobicContact CE1-CD2 4.26Å; Y576-F586 HydrophobicContact CG-CB 4.48Å; F586-F588 AromaticContact CD1-CD2 4Å; F586-F588 HydrophobicContact CD1-CD2 4Å; F586-F588 HydrophobicContact CD1-CE1 4.28Å; F586-F588 AromaticContact CD1-CE2 3.51Å; F586-F588 HydrophobicContact CD1-CE2 3.51Å; F586-F588 AromaticContact CD1-CZ 3.69Å; F586-F588 HydrophobicContact CD1-CZ 3.69Å; F586-F588 HydrophobicContact CE1-CD1 4.32Å; F586-F588 HydrophobicContact CE1-CD2 4.42Å; F586-F588 AromaticContact CE1-CE1 3.88Å; F586-F588 HydrophobicContact CE1-CE1 3.88Å; F586-F588 AromaticContact CE1-CE2 3.97Å; F586-F588 HydrophobicContact CE1-CE2 3.97Å; F586-F588 AromaticContact CE1-CZ 3.7Å; F586-F588 HydrophobicContact CE1-CZ 3.7Å; F586-F588 HydrophobicContact CG-CE2 4.39Å; F586-Q621 HydrophobicContact CD1-CB 4.33Å; F586-Q621 HydrophobicContact CD2-CB 3.4Å; F586-Q621 HydrophobicContact CD2-CG 3.67Å; F586-Q621 HydrophobicContact CE1-CB 4.31Å; F586-Q621 HydrophobicContact CE2-CB 3.36Å; F586-Q621 HydrophobicContact CE2-CG 3.67Å; F586-Q621 HydrophobicContact CG-CB 3.89Å; F586-Q621 HydrophobicContact CZ-CB 3.83Å; F586-L623 HydrophobicContact CE1-CB 3.56Å; F586-L623 HydrophobicContact CE1-CD2 4.35Å; F586-L623 HydrophobicContact CZ-CB 3.95Å; F586-L623 HydrophobicContact CZ-CD2 4.47Å; F586-I645 HydrophobicContact CD1-CD1 4.32Å; F586-I645 HydrophobicContact CD1-CG1 4.43Å; F586-I645 HydrophobicContact CD2-CD1 4.09Å; F586-I645 HydrophobicContact CD2-CG1 4.15Å; F586-I645 HydrophobicContact CD2-CG2 3.97Å; F586-I645 HydrophobicContact CE1-CD1 3.81Å; F586-I645 HydrophobicContact CE1-CG1 4.4Å; F586-I645 HydrophobicContact CE2-CD1 3.57Å; F586-I645 HydrophobicContact CE2-CG1 4.13Å; F586-I645 HydrophobicContact CE2-CG2 4.13Å; F586-I645 HydrophobicContact CG-CD1 4.47Å; F586-I645 HydrophobicContact CG-CG1 4.33Å; F586-I645 HydrophobicContact CZ-CD1 3.42Å; F586-I645 VanDerWaalsContact CZ-CD1 3.42Å; F586-I645 HydrophobicContact CZ-CG1 4.28Å; F586-F671 HydrophobicContact CE2-CE2 4.02Å; F586-F671 HydrophobicContact CZ-CD2 4.13Å; F586-F671 HydrophobicContact CZ-CE2 4.06Å; F586-Y674 HydrophobicContact CZ-CE1 4.48Å
587	A	95.7	Very high	88	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.9	177.6	0	0	0	0	0	111.2	M562 A572 V573 P619 Q621 I622 L623	M562-A587 HydrophobicContact CE-CB 3.83Å; M562-A587 HydrophobicContact SD-CB 4.04Å; A572-A587 CarbonylContact O-C 3.58Å; A572-A587 WeakPolarHBondContact O-CA 3.2Å; V573-A587 HydrophobicContact CG2-CB 3.96Å; A587-P619 HydrophobicContact CB-CB 4.01Å; A587-P619 HydrophobicContact CB-CG 3.94Å; A587-Q621 PolarHBondContact N-O 2.78Å; A587-I622 HydrophobicContact CB-CG1 4.19Å; A587-I622 HydrophobicContact CB-CG2 4.37Å; A587-I622 CarbonylContact O-C 3.31Å; A587-I622 WeakPolarHBondContact O-CA 3.48Å; A587-L623 PolarHBondContact O-N 2.9Å
588	F	95.9	Very high	88.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.6	168.3	-61	-98.9	0	0	0	107.2	T571 A572 I574 F586 L623 V625 L628 L641 I645 I667	T571-F588 CarbonylContact C-O 3.39Å; T571-F588 VanDerWaalsContact CA-O 3.3Å; T571-F588 WeakPolarHBondContact CA-O 3.46Å; A572-F588 PolarHBondContact N-O 3.18Å; A572-F588 PolarHBondContact O-N 2.78Å; I574-F588 HydrophobicContact CD1-CE2 3.87Å; I574-F588 HydrophobicContact CD1-CZ 4.33Å; I574-F588 HydrophobicContact CG1-CE2 3.97Å; F586-F588 AromaticContact CD1-CD2 4Å; F586-F588 HydrophobicContact CD1-CD2 4Å; F586-F588 HydrophobicContact CD1-CE1 4.28Å; F586-F588 AromaticContact CD1-CE2 3.51Å; F586-F588 HydrophobicContact CD1-CE2 3.51Å; F586-F588 AromaticContact CD1-CZ 3.69Å; F586-F588 HydrophobicContact CD1-CZ 3.69Å; F586-F588 HydrophobicContact CE1-CD1 4.32Å; F586-F588 HydrophobicContact CE1-CD2 4.42Å; F586-F588 AromaticContact CE1-CE1 3.88Å; F586-F588 HydrophobicContact CE1-CE1 3.88Å; F586-F588 AromaticContact CE1-CE2 3.97Å; F586-F588 HydrophobicContact CE1-CE2 3.97Å; F586-F588 AromaticContact CE1-CZ 3.7Å; F586-F588 HydrophobicContact CE1-CZ 3.7Å; F586-F588 HydrophobicContact CG-CE2 4.39Å; F588-L623 WeakPolarHBondContact CA-O 3.46Å; F588-L623 HydrophobicContact CD1-CB 4.29Å; F588-L623 HydrophobicContact CD1-CD2 3.96Å; F588-L623 HydrophobicContact CE1-CD2 3.79Å; F588-V625 HydrophobicContact CB-CG2 4.22Å; F588-V625 HydrophobicContact CD1-CG1 3.98Å; F588-L628 HydrophobicContact CB-CD2 3.66Å; F588-L641 HydrophobicContact CD1-CD2 3.86Å; F588-L641 HydrophobicContact CD2-CB 4.33Å; F588-L641 HydrophobicContact CD2-CD1 3.8Å; F588-L641 HydrophobicContact CD2-CD2 4.11Å; F588-L641 HydrophobicContact CD2-CG 4.3Å; F588-L641 HydrophobicContact CE1-CD2 3.76Å; F588-L641 HydrophobicContact CE2-CB 3.72Å; F588-L641 HydrophobicContact CE2-CD1 4.06Å; F588-L641 HydrophobicContact CE2-CD2 4.04Å; F588-L641 HydrophobicContact CE2-CG 4.15Å; F588-L641 HydrophobicContact CG-CD1 4.24Å; F588-L641 HydrophobicContact CG-CD2 4.02Å; F588-L641 HydrophobicContact CZ-CB 3.88Å; F588-L641 HydrophobicContact CZ-CD2 3.85Å; F588-L641 HydrophobicContact CZ-CG 4.34Å; F588-I645 HydrophobicContact CE1-CD1 4.18Å; F588-I645 HydrophobicContact CE2-CG1 4.46Å; F588-I645 HydrophobicContact CZ-CD1 3.76Å; F588-I645 HydrophobicContact CZ-CG1 3.66Å; F588-I667 HydrophobicContact CD1-CG2 4.38Å; F588-I667 HydrophobicContact CE1-CG2 4Å
589	I	94.2	Very high	88.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.4	179.6	62.3	174.4	0	0	0	110.5	M562 V568 T571 L591 V602 L605 I622 L623 V624 V625	M562-I589 HydrophobicContact CE-CG2 3.55Å; V568-I589 HydrophobicContact CG1-CB 4.05Å; V568-I589 HydrophobicContact CG1-CG2 4.1Å; T571-I589 HydrophobicContact CG2-CG2 4.14Å; I589-L591 HydrophobicContact CD1-CD2 4.03Å; I589-V602 HydrophobicContact CD1-CG2 4.12Å; I589-L605 HydrophobicContact CD1-CD1 3.58Å; I589-L605 HydrophobicContact CG2-CD1 4.02Å; I589-I622 HydrophobicContact CD1-CG2 3.68Å; I589-I622 HydrophobicContact CG1-CG2 3.9Å; I589-I622 HydrophobicContact CG2-CG2 3.96Å; I589-L623 PolarHBondContact N-O 3.23Å; I589-V624 HydrophobicContact CD1-CG2 3.94Å; I589-V624 HydrophobicContact CG1-CB 4.46Å; I589-V624 HydrophobicContact CG1-CG2 3.91Å; I589-V624 WeakPolarHBondContact O-CA 3.48Å; I589-V625 PolarHBondContact O-N 2.74Å
590	V	90.7	Very high	88.5	Confident	15 Å²	15	57.6 Å²	57.6	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.9	166.3	-177.9	0	0	0	0	107	P569 E570 V625 K626 L628	P569-V590 WeakPolarHBondContact CD-O 3.27Å; P569-V590 HydrophobicContact CG-CB 4.44Å; P569-V590 HydrophobicContact CG-CG1 4.28Å; E570-V590 HydrophobicContact CB-CB 4.09Å; E570-V590 HydrophobicContact CB-CG2 4.06Å; E570-V590 PolarHBondContact O-N 3.01Å; V590-V625 WeakPolarHBondContact CA-O 3.39Å; V590-V625 HydrophobicContact CG2-CG2 4.15Å; V590-K626 WeakPolarHBondContact CG1-O 3.04Å; V590-L628 HydrophobicContact CG2-CG 4.07Å
591	L	90.8	Very high	88.8	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.136	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-100.6	151.1	177.4	-63.3	179.9	0	0	0	110.8	A567 V568 I589 I595 E598 V601 V624	A567-L591 WeakPolarHBondContact O-CA 3.41Å; V568-L591 HydrophobicContact CG2-CD2 3.82Å; I589-L591 HydrophobicContact CD1-CD2 4.03Å; L591-I595 HydrophobicContact CB-CG1 4.32Å; L591-I595 HydrophobicContact CD1-CG2 4.32Å; L591-E598 HydrophobicContact CD1-CB 4.17Å; L591-E598 HydrophobicContact CD1-CG 3.77Å; L591-V601 HydrophobicContact CD2-CB 4.41Å; L591-V601 HydrophobicContact CD2-CG1 3.71Å; L591-V624 HydrophobicContact CD1-CG1 3.81Å; L591-V624 HydrophobicContact CD1-CG2 4.07Å; L591-V624 HydrophobicContact CG-CG1 4Å
592	K	86.1	Confident	89.1	Confident	116 Å²	116	53.9 Å²	53.9	50%	0.504	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.1	157.4	165.5	-65.4	-176.7	177.8	163.5	0	110.5	P566 A567 P569 I595	P566-K592 WeakPolarHBondContact O-CD 3.3Å; P566-K592 VanDerWaalsContact O-CE 3.24Å; P566-K592 WeakPolarHBondContact O-CE 3.33Å; P566-K592 PolarHBondContact O-NZ 2.84Å; A567-K592 PolarHBondContact O-N 2.62Å; P569-K592 HydrophobicContact CG-CG 4.31Å; K592-I595 WeakPolarHBondContact O-CG1 3.23Å
593	D	82.9	Confident	89.6	Confident	148 Å²	148	57.8 Å²	57.8	79%	0.791	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	152.3	173.3	-61.8	-41.9	0	0	0	111.7
594	N	76.9	Confident	89.8	Confident	166 Å²	166	59.9 Å²	59.9	89%	0.888	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	24.6	176.1	-50.6	-50.4	0	0	0	116.7	S596	N594-S596 PolarHBondContact O-N 3.5Å
595	I	77.8	Confident	89.9	Confident	59 Å²	59	59.9 Å²	59.9	30%	0.303	32%	0.317	S	S	.	.			trans	-72.4	118.9	166.4	-62.7	-60.7	0	0	0	109.5	A567 L591 K592 V601	A567-I595 HydrophobicContact CB-CD1 3.56Å; A567-I595 HydrophobicContact CB-CG1 4.22Å; L591-I595 HydrophobicContact CB-CG1 4.32Å; L591-I595 HydrophobicContact CD1-CG2 4.32Å; K592-I595 WeakPolarHBondContact O-CG1 3.23Å; I595-V601 HydrophobicContact CG2-CG2 3.9Å
596	S	78.2	Confident	90	Very high	129 Å²	129	62.9 Å²	62.9	90%	0.902	33%	0.33	S	S	*	.	S	Bend	trans	-78.7	-22.8	-178.9	56	0	0	0	0	113.8	N594	N594-S596 PolarHBondContact O-N 3.5Å
597	D	88.4	Confident	89.9	Confident	63 Å²	63	68.2 Å²	68.2	34%	0.337	36%	0.358	S	S	.	.			trans	-142.1	95.6	-176.1	-170.3	-14.5	0	0	0	111.2	N599 M600 V601	D597-N599 VanDerWaalsContact C-N 3.27Å; D597-N599 PolarHBondContact O-N 2.95Å; D597-N599 WeakPolarHBondContact OD1-CB 3.5Å; D597-N599 PolarHBondContact OD1-N 3.27Å; D597-M600 HydrophobicContact CB-CB 3.91Å; D597-M600 HydrophobicContact CB-CE 4.15Å; D597-M600 PolarHBondContact O-N 3.49Å; D597-M600 PolarHBondContact OD1-N 2.78Å; D597-V601 PolarHBondContact O-N 3.47Å
598	E	89	Confident	89.7	Confident	106 Å²	106	69.6 Å²	69.6	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-33	177.1	-59.8	-175.9	178.7	0	0	112.1	L591 V601 V602 V624	L591-E598 HydrophobicContact CD1-CB 4.17Å; L591-E598 HydrophobicContact CD1-CG 3.77Å; E598-V601 PolarHBondContact O-N 3.26Å; E598-V602 WeakPolarHBondContact O-CG2 3.39Å; E598-V602 PolarHBondContact O-N 2.81Å; E598-V624 HydrophobicContact CB-CG2 4.38Å
599	N	90.2	Very high	89.5	Confident	117 Å²	117	69.6 Å²	69.6	63%	0.626	37%	0.368	S	S	*	.	H	α-helix	trans	-71.5	-35.9	-177.7	-70.5	-44.8	0	0	0	111.7	D597 V602 N603	D597-N599 VanDerWaalsContact C-N 3.27Å; D597-N599 PolarHBondContact O-N 2.95Å; D597-N599 WeakPolarHBondContact OD1-CB 3.5Å; D597-N599 PolarHBondContact OD1-N 3.27Å; N599-V602 PolarHBondContact O-N 2.82Å; N599-N603 PolarHBondContact O-N 2.9Å; N599-N603 PolarHBondContact O-ND2 3.01Å
600	M	93	Very high	89.4	Confident	96 Å²	96	70.9 Å²	70.9	47%	0.473	38%	0.379	S	S	.	.	H	α-helix	trans	-57.5	-51.1	171.9	-176.2	-170.7	-56.9	0	0	110.6	D597 V602 N603 E604	D597-M600 HydrophobicContact CB-CB 3.91Å; D597-M600 HydrophobicContact CB-CE 4.15Å; D597-M600 PolarHBondContact O-N 3.49Å; D597-M600 PolarHBondContact OD1-N 2.78Å; M600-V602 VanDerWaalsContact C-N 3.34Å; M600-V602 PolarHBondContact O-N 2.73Å; M600-N603 PolarHBondContact O-N 3.34Å; M600-N603 VanDerWaalsContact O-N 3.1Å; M600-E604 WeakPolarHBondContact O-CG 3.33Å; M600-E604 PolarHBondContact O-N 3.01Å
601	V	92.8	Very high	89.4	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-60.1	-43.4	179	176.9	0	0	0	0	111.4	A567 V568 L591 I595 D597 E598 N603 E604 L605	A567-V601 HydrophobicContact CB-CG1 4.33Å; A567-V601 HydrophobicContact CB-CG2 4.14Å; V568-V601 HydrophobicContact CG2-CG1 3.73Å; L591-V601 HydrophobicContact CD2-CB 4.41Å; L591-V601 HydrophobicContact CD2-CG1 3.71Å; I595-V601 HydrophobicContact CG2-CG2 3.9Å; D597-V601 PolarHBondContact O-N 3.47Å; E598-V601 PolarHBondContact O-N 3.26Å; V601-N603 VanDerWaalsContact C-N 3.3Å; V601-N603 PolarHBondContact O-N 2.63Å; V601-E604 PolarHBondContact O-N 3.1Å; V601-L605 HydrophobicContact CG1-CD1 4.01Å; V601-L605 HydrophobicContact CG1-CG 4.36Å; V601-L605 WeakPolarHBondContact O-CB 3.31Å; V601-L605 VanDerWaalsContact O-CG 3.25Å; V601-L605 WeakPolarHBondContact O-CG 3.35Å; V601-L605 PolarHBondContact O-N 3.49Å
602	V	94	Very high	89.2	Confident	18 Å²	18	74.7 Å²	74.7	11%	0.109	40%	0.4	C	S	.	.	H	α-helix	trans	-58.3	-41.7	175.7	166.3	0	0	0	0	111.7	I589 E598 N599 M600 K606 I622	I589-V602 HydrophobicContact CD1-CG2 4.12Å; E598-V602 WeakPolarHBondContact O-CG2 3.39Å; E598-V602 PolarHBondContact O-N 2.81Å; N599-V602 PolarHBondContact O-N 2.82Å; M600-V602 VanDerWaalsContact C-N 3.34Å; M600-V602 PolarHBondContact O-N 2.73Å; V602-K606 HydrophobicContact CG1-CD 4.49Å; V602-K606 WeakPolarHBondContact O-CG 3.49Å; V602-K606 PolarHBondContact O-N 3.03Å; V602-K606 VanDerWaalsContact O-N 3.08Å; V602-I622 HydrophobicContact CG1-CB 4.04Å; V602-I622 HydrophobicContact CG1-CD1 4.2Å; V602-I622 HydrophobicContact CG1-CG1 4.44Å; V602-I622 HydrophobicContact CG2-CB 4.34Å; V602-I622 HydrophobicContact CG2-CG2 4.03Å
603	N	94.2	Very high	89.2	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	38%	0.377	S	S	.	.	H	α-helix	trans	-70.1	-40	178.5	-72.9	-33.9	0	0	0	112.5	N599 M600 V601 L605 K606 L607	N599-N603 PolarHBondContact O-N 2.9Å; N599-N603 PolarHBondContact O-ND2 3.01Å; M600-N603 PolarHBondContact O-N 3.34Å; M600-N603 VanDerWaalsContact O-N 3.1Å; V601-N603 VanDerWaalsContact C-N 3.3Å; V601-N603 PolarHBondContact O-N 2.63Å; N603-L605 VanDerWaalsContact C-N 3.34Å; N603-K606 PolarHBondContact O-N 3.03Å; N603-L607 PolarHBondContact O-N 2.98Å
604	E	94.5	Very high	89.4	Confident	87 Å²	87	62.5 Å²	62.5	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-42.1	175.4	-71.4	175.4	152	0	0	111.5	H565 M600 V601 L607 S608	H565-E604 IonicContact CE1-OE2 3.58Å; H565-E604 IonicContact NE2-OE2 2.78Å; H565-E604 PolarHBondContact NE2-OE2 3.43Å; M600-E604 WeakPolarHBondContact O-CG 3.33Å; M600-E604 PolarHBondContact O-N 3.01Å; V601-E604 PolarHBondContact O-N 3.1Å; E604-L607 PolarHBondContact O-N 2.9Å; E604-S608 PolarHBondContact O-N 3.14Å
605	L	93.9	Very high	90.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-46.1	174.1	-73.1	168.9	0	0	0	112.6	M562 H565 V568 I589 V601 N603 L607 S608 V609 I622	M562-L605 HydrophobicContact CB-CD2 3.77Å; M562-L605 HydrophobicContact CE-CB 4.08Å; M562-L605 HydrophobicContact CE-CD1 3.77Å; M562-L605 HydrophobicContact CE-CD2 4.06Å; M562-L605 HydrophobicContact CE-CG 4.21Å; M562-L605 HydrophobicContact CG-CD2 4Å; H565-L605 HydrophobicContact CB-CD2 3.65Å; V568-L605 HydrophobicContact CG2-CD1 3.9Å; V568-L605 HydrophobicContact CG2-CD2 4.16Å; V568-L605 HydrophobicContact CG2-CG 4.36Å; I589-L605 HydrophobicContact CD1-CD1 3.58Å; I589-L605 HydrophobicContact CG2-CD1 4.02Å; V601-L605 HydrophobicContact CG1-CD1 4.01Å; V601-L605 HydrophobicContact CG1-CG 4.36Å; V601-L605 WeakPolarHBondContact O-CB 3.31Å; V601-L605 VanDerWaalsContact O-CG 3.25Å; V601-L605 WeakPolarHBondContact O-CG 3.35Å; V601-L605 PolarHBondContact O-N 3.49Å; N603-L605 VanDerWaalsContact C-N 3.34Å; L605-L607 VanDerWaalsContact C-N 3.26Å; L605-L607 PolarHBondContact O-N 2.87Å; L605-S608 WeakPolarHBondContact O-CB 3.42Å; L605-S608 PolarHBondContact O-N 2.49Å; L605-S608 VanDerWaalsContact O-N 3.15Å; L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 2.98Å; L605-I622 HydrophobicContact CB-CD1 4.3Å
606	K	95.4	Very high	90.5	Very high	65 Å²	65	62.6 Å²	62.6	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-58	-41.9	175.4	-74.6	178.6	176	-178.1	0	111.4	V602 N603 A610 V618 I622	V602-K606 HydrophobicContact CG1-CD 4.49Å; V602-K606 WeakPolarHBondContact O-CG 3.49Å; V602-K606 PolarHBondContact O-N 3.03Å; V602-K606 VanDerWaalsContact O-N 3.08Å; N603-K606 PolarHBondContact O-N 3.03Å; K606-A610 WeakPolarHBondContact O-CB 3.46Å; K606-A610 PolarHBondContact O-N 2.81Å; K606-A610 VanDerWaalsContact O-N 3.07Å; K606-V618 HydrophobicContact CB-CG1 3.82Å; K606-V618 HydrophobicContact CD-CG1 4.37Å; K606-V618 HydrophobicContact CG-CG1 3.74Å; K606-I622 HydrophobicContact CG-CD1 3.72Å
607	L	94	Very high	91.1	Very high	115 Å²	115	56.5 Å²	56.5	60%	0.602	29%	0.287	S	S	*	.	H	α-helix	trans	-65.9	-40.5	176.8	-176.1	63.2	0	0	0	111.7	N603 E604 L605 A610 T611	N603-L607 PolarHBondContact O-N 2.98Å; E604-L607 PolarHBondContact O-N 2.9Å; L605-L607 VanDerWaalsContact C-N 3.26Å; L605-L607 PolarHBondContact O-N 2.87Å; L607-A610 PolarHBondContact O-N 2.79Å; L607-T611 WeakPolarHBondContact O-CB 3.16Å; L607-T611 PolarHBondContact O-N 2.84Å; L607-T611 PolarHBondContact O-OG1 2.84Å
608	S	91.1	Very high	91.4	Very high	29 Å²	29	54.8 Å²	54.8	20%	0.203	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-50.8	176.7	-172.2	0	0	0	0	111.2	A561 E604 L605 A610 T611 K612	A561-S608 PolarHBondContact O-OG 2.76Å; E604-S608 PolarHBondContact O-N 3.14Å; L605-S608 WeakPolarHBondContact O-CB 3.42Å; L605-S608 PolarHBondContact O-N 2.49Å; L605-S608 VanDerWaalsContact O-N 3.15Å; S608-A610 VanDerWaalsContact C-N 3.34Å; S608-A610 PolarHBondContact O-N 2.84Å; S608-T611 PolarHBondContact O-N 3.4Å; S608-T611 VanDerWaalsContact O-N 3.11Å; S608-K612 WeakPolarHBondContact O-CB 3.32Å; S608-K612 WeakPolarHBondContact O-CG 3.44Å; S608-K612 PolarHBondContact O-N 2.96Å
609	V	91.4	Very high	91.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-42.7	178.4	178	0	0	0	0	111.6	I558 A561 M562 L605 T611 I613 A614 A617 V618	I558-V609 HydrophobicContact CG2-CG1 4.33Å; I558-V609 HydrophobicContact CG2-CG2 4.18Å; A561-V609 HydrophobicContact CB-CG2 4.08Å; M562-V609 HydrophobicContact CG-CG2 3.55Å; M562-V609 HydrophobicContact SD-CG2 4.15Å; L605-V609 WeakPolarHBondContact O-CG2 3.3Å; L605-V609 PolarHBondContact O-N 2.98Å; V609-T611 PolarHBondContact O-N 3.27Å; V609-I613 HydrophobicContact CG1-CD1 4.18Å; V609-I613 PolarHBondContact O-N 2.96Å; V609-A614 PolarHBondContact O-N 2.86Å; V609-A617 HydrophobicContact CG1-CB 4.1Å; V609-A617 WeakPolarHBondContact CG1-O 3.13Å; V609-V618 HydrophobicContact CB-CG2 4.4Å; V609-V618 HydrophobicContact CG1-CG2 4.28Å
610	A	92.6	Very high	91.9	Very high	27 Å²	27	46.3 Å²	46.3	22%	0.223	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-34.2	177.3	0	0	0	0	0	112.8	K606 L607 S608 K615 V618	K606-A610 WeakPolarHBondContact O-CB 3.46Å; K606-A610 PolarHBondContact O-N 2.81Å; K606-A610 VanDerWaalsContact O-N 3.07Å; L607-A610 PolarHBondContact O-N 2.79Å; S608-A610 VanDerWaalsContact C-N 3.34Å; S608-A610 PolarHBondContact O-N 2.84Å; A610-K615 HydrophobicContact CB-CG 4.44Å; A610-V618 HydrophobicContact CB-CG2 3.69Å
611	T	89.7	Confident	92	Very high	82 Å²	82	42.6 Å²	42.6	50%	0.503	22%	0.218	S	C	.	.	H	α-helix	trans	-79.8	-46.9	-178	-58	0	0	0	0	111.4	S193 L607 S608 V609	S193-T611 WeakPolarHBondContact CB-O 3.48Å; S193-T611 PolarHBondContact OG-O 2.78Å; L607-T611 WeakPolarHBondContact O-CB 3.16Å; L607-T611 PolarHBondContact O-N 2.84Å; L607-T611 PolarHBondContact O-OG1 2.84Å; S608-T611 PolarHBondContact O-N 3.4Å; S608-T611 VanDerWaalsContact O-N 3.11Å; V609-T611 PolarHBondContact O-N 3.27Å
612	K	87	Confident	92.1	Very high	38 Å²	38	42.5 Å²	42.5	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-77.3	-40.8	-174.5	-66.3	-177.1	167.3	-176.7	0	112.7	S193 E195 A561 D564 S608	S193-K612 PolarHBondContact OG-O 3.13Å; E195-K612 WeakPolarHBondContact OE2-CG 3.38Å; A561-K612 HydrophobicContact CB-CB 4.08Å; A561-K612 HydrophobicContact CB-CD 3.88Å; D564-K612 VanDerWaalsContact CG-NZ 3.33Å; D564-K612 IonicContact OD2-NZ 3.88Å; D564-K612 PolarHBondContact OD2-NZ 3.13Å; S608-K612 WeakPolarHBondContact O-CB 3.32Å; S608-K612 WeakPolarHBondContact O-CG 3.44Å; S608-K612 PolarHBondContact O-N 2.96Å
613	I	85.2	Confident	92.1	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-81.7	-175.5	-51.2	175.8	0	0	0	110.4	S193 L553 E557 I558 A561 V609 A617	S193-I613 PolarHBondContact N-O 2.81Å; L553-I613 HydrophobicContact CD2-CG2 3.99Å; E557-I613 HydrophobicContact CB-CD1 4.48Å; E557-I613 HydrophobicContact CG-CD1 3.95Å; E557-I613 HydrophobicContact CG-CG1 4.38Å; E557-I613 WeakPolarHBondContact O-CD1 3.36Å; I558-I613 HydrophobicContact CG1-CD1 4.09Å; A561-I613 HydrophobicContact CB-CD1 3.95Å; A561-I613 HydrophobicContact CB-CG1 4.14Å; V609-I613 HydrophobicContact CG1-CD1 4.18Å; V609-I613 PolarHBondContact O-N 2.96Å; I613-A617 HydrophobicContact CB-CB 4.03Å; I613-A617 HydrophobicContact CD1-CB 4.4Å; I613-A617 HydrophobicContact CG2-CB 3.64Å
614	A	87.6	Confident	92.1	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.198	C	C	.	.			trans	-176	160	-179.8	0	0	0	0	0	110.3	F192 V609 Y616 A617	F192-A614 HydrophobicContact CD1-CB 4.5Å; V609-A614 PolarHBondContact O-N 2.86Å; A614-Y616 VanDerWaalsContact C-N 3.26Å; A614-Y616 HydrophobicContact CB-CD1 3.48Å; A614-Y616 VanDerWaalsContact CB-CD1 3.48Å; A614-Y616 HydrophobicContact CB-CE1 3.26Å; A614-Y616 HydrophobicContact CB-CG 4.34Å; A614-Y616 PolarHBondContact O-N 3.27Å; A614-A617 WeakPolarHBondContact O-CB 3.49Å; A614-A617 PolarHBondContact O-N 2.76Å; A614-A617 VanDerWaalsContact O-N 3.08Å
615	K	91.4	Very high	92.1	Very high	184 Å²	184	35 Å²	35	80%	0.8	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-59.4	-32.1	178	-68	-176.4	178.8	-179.3	0	114.2	A610 A617 V618	A610-K615 HydrophobicContact CB-CG 4.44Å; K615-A617 VanDerWaalsContact C-N 3.26Å; K615-A617 PolarHBondContact O-N 3.48Å; K615-V618 WeakPolarHBondContact O-CG2 3.46Å
616	Y	87.6	Confident	91.9	Very high	44 Å²	44	43.5 Å²	43.5	17%	0.173	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-74.5	-16.7	-180	70.5	-98.6	0	0	0	113.1	F189 F192 H551 L553 A614	F189-Y616 HydrophobicContact CD1-CE1 4.5Å; F189-Y616 HydrophobicContact CE1-CE1 4.23Å; F192-Y616 HydrophobicContact CE1-CE1 4.49Å; F192-Y616 WeakPolarHBondContact CE1-OH 3.29Å; H551-Y616 HydrophobicContact CB-CD2 3.97Å; H551-Y616 HydrophobicContact CB-CE2 3.37Å; H551-Y616 AromaticContact CD2-CD2 3.63Å; H551-Y616 AromaticContact CD2-CE2 3.74Å; H551-Y616 AromaticContact CD2-CG 3.88Å; H551-Y616 AromaticContact CG-CD2 3.99Å; H551-Y616 AromaticContact CG-CE2 3.62Å; H551-Y616 AromaticContact CG-CZ 3.85Å; L553-Y616 HydrophobicContact CD1-CD2 4.09Å; L553-Y616 HydrophobicContact CD1-CE2 3.71Å; L553-Y616 HydrophobicContact CD2-CE2 4.1Å; L553-Y616 HydrophobicContact CG-CE2 4.06Å; A614-Y616 VanDerWaalsContact C-N 3.26Å; A614-Y616 HydrophobicContact CB-CD1 3.48Å; A614-Y616 VanDerWaalsContact CB-CD1 3.48Å; A614-Y616 HydrophobicContact CB-CE1 3.26Å; A614-Y616 HydrophobicContact CB-CG 4.34Å; A614-Y616 PolarHBondContact O-N 3.27Å
617	A	90	Very high	91.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.5	-10.5	179.6	0	0	0	0	0	113.3	L553 V609 I613 A614 K615 P619	L553-A617 HydrophobicContact CD1-CB 3.49Å; L553-A617 VanDerWaalsContact CD1-CB 3.49Å; L553-A617 HydrophobicContact CD2-CB 4.3Å; V609-A617 HydrophobicContact CG1-CB 4.1Å; V609-A617 WeakPolarHBondContact CG1-O 3.13Å; I613-A617 HydrophobicContact CB-CB 4.03Å; I613-A617 HydrophobicContact CD1-CB 4.4Å; I613-A617 HydrophobicContact CG2-CB 3.64Å; A614-A617 WeakPolarHBondContact O-CB 3.49Å; A614-A617 PolarHBondContact O-N 2.76Å; A614-A617 VanDerWaalsContact O-N 3.08Å; K615-A617 VanDerWaalsContact C-N 3.26Å; K615-A617 PolarHBondContact O-N 3.48Å; A617-P619 WeakPolarHBondContact O-CD 3.38Å
618	V	95.6	Very high	91.3	Very high	28 Å²	28	39.4 Å²	39.4	17%	0.17	19%	0.194	C	C	.	.	S	Bend	trans	-61.6	126.7	-179.1	179.4	0	0	0	0	109.4	K606 V609 A610 K615 D620	K606-V618 HydrophobicContact CB-CG1 3.82Å; K606-V618 HydrophobicContact CD-CG1 4.37Å; K606-V618 HydrophobicContact CG-CG1 3.74Å; V609-V618 HydrophobicContact CB-CG2 4.4Å; V609-V618 HydrophobicContact CG1-CG2 4.28Å; A610-V618 HydrophobicContact CB-CG2 3.69Å; K615-V618 WeakPolarHBondContact O-CG2 3.46Å; V618-D620 PolarHBondContact O-N 2.76Å
619	P	95.2	Very high	91.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	18%	0.184	C	C	.	.			trans	-57.6	128.7	174.1	-25.1	34	0	0	0	111.9	I558 M562 A585 A587 A617 Q621 I622	I558-P619 HydrophobicContact CG2-CG 3.86Å; M562-P619 HydrophobicContact SD-CG 4.26Å; A585-P619 HydrophobicContact CB-CB 4.25Å; A585-P619 HydrophobicContact CB-CG 4.31Å; A585-P619 WeakPolarHBondContact O-CA 3.48Å; A587-P619 HydrophobicContact CB-CB 4.01Å; A587-P619 HydrophobicContact CB-CG 3.94Å; A617-P619 WeakPolarHBondContact O-CD 3.38Å; P619-Q621 WeakPolarHBondContact CB-O 3.31Å; P619-Q621 PolarHBondContact O-N 3.05Å; P619-I622 HydrophobicContact CB-CD1 4.44Å; P619-I622 HydrophobicContact CB-CG1 3.97Å
620	D	94.3	Very high	90.4	Very high	43 Å²	43	40.4 Å²	40.4	23%	0.23	19%	0.194	C	C	.	.	S	Bend	trans	-66.4	-34.5	176	-79.2	-0.4	0	0	0	110	Y576 H578 K581 A584 A585 V618	Y576-D620 WeakPolarHBondContact OH-CB 3.44Å; H578-D620 IonicContact CD2-OD2 2.74Å; H578-D620 PolarHBondContact CD2-OD2 2.69Å; H578-D620 IonicContact NE2-OD2 3.59Å; K581-D620 IonicContact NZ-OD1 3.64Å; K581-D620 PolarHBondContact NZ-OD1 3.36Å; K581-D620 IonicContact NZ-OD2 2.78Å; K581-D620 PolarHBondContact NZ-OD2 3.05Å; A584-D620 HydrophobicContact CB-CB 4.3Å; A584-D620 WeakPolarHBondContact CB-OD2 3.41Å; A585-D620 PolarHBondContact O-N 3.46Å; A585-D620 VanDerWaalsContact O-N 3.1Å; V618-D620 PolarHBondContact O-N 2.76Å
621	Q	94.1	Very high	88.4	Confident	18 Å²	18	40.3 Å²	40.3	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.7	178.8	-46.7	-50.9	-36.9	0	0	110.2	Y576 F586 A587 P619 Y674	Y576-Q621 HydrophobicContact CE1-CG 4.34Å; F586-Q621 HydrophobicContact CD1-CB 4.33Å; F586-Q621 HydrophobicContact CD2-CB 3.4Å; F586-Q621 HydrophobicContact CD2-CG 3.67Å; F586-Q621 HydrophobicContact CE1-CB 4.31Å; F586-Q621 HydrophobicContact CE2-CB 3.36Å; F586-Q621 HydrophobicContact CE2-CG 3.67Å; F586-Q621 HydrophobicContact CG-CB 3.89Å; F586-Q621 HydrophobicContact CZ-CB 3.83Å; A587-Q621 PolarHBondContact N-O 2.78Å; P619-Q621 WeakPolarHBondContact CB-O 3.31Å; P619-Q621 PolarHBondContact O-N 3.05Å; Q621-Y674 HydrophobicContact CB-CE1 4.36Å; Q621-Y674 PolarHBondContact OE1-OH 3.14Å
622	I	95.1	Very high	87	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	113.3	170.5	-54.2	-170.7	0	0	0	106.5	M562 A587 I589 V602 L605 K606 P619	M562-I622 HydrophobicContact CE-CD1 4.14Å; M562-I622 HydrophobicContact CE-CG2 4.49Å; A587-I622 HydrophobicContact CB-CG1 4.19Å; A587-I622 HydrophobicContact CB-CG2 4.37Å; A587-I622 CarbonylContact O-C 3.31Å; A587-I622 WeakPolarHBondContact O-CA 3.48Å; I589-I622 HydrophobicContact CD1-CG2 3.68Å; I589-I622 HydrophobicContact CG1-CG2 3.9Å; I589-I622 HydrophobicContact CG2-CG2 3.96Å; V602-I622 HydrophobicContact CG1-CB 4.04Å; V602-I622 HydrophobicContact CG1-CD1 4.2Å; V602-I622 HydrophobicContact CG1-CG1 4.44Å; V602-I622 HydrophobicContact CG2-CB 4.34Å; V602-I622 HydrophobicContact CG2-CG2 4.03Å; L605-I622 HydrophobicContact CB-CD1 4.3Å; K606-I622 HydrophobicContact CG-CD1 3.72Å; P619-I622 HydrophobicContact CB-CD1 4.44Å; P619-I622 HydrophobicContact CB-CG1 3.97Å
623	L	95.2	Very high	85.3	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.1	179	-177.3	66.5	0	0	0	109.8	F586 A587 F588 I589 V625 F671 Y674	F586-L623 HydrophobicContact CE1-CB 3.56Å; F586-L623 HydrophobicContact CE1-CD2 4.35Å; F586-L623 HydrophobicContact CZ-CB 3.95Å; F586-L623 HydrophobicContact CZ-CD2 4.47Å; A587-L623 PolarHBondContact O-N 2.9Å; F588-L623 WeakPolarHBondContact CA-O 3.46Å; F588-L623 HydrophobicContact CD1-CB 4.29Å; F588-L623 HydrophobicContact CD1-CD2 3.96Å; F588-L623 HydrophobicContact CE1-CD2 3.79Å; I589-L623 PolarHBondContact N-O 3.23Å; L623-V625 HydrophobicContact CD2-CG1 3.9Å; L623-V625 HydrophobicContact CG-CG1 3.95Å; L623-F671 HydrophobicContact CD2-CB 3.94Å; L623-F671 HydrophobicContact CD2-CD2 4.31Å; L623-Y674 VanDerWaalsContact CD1-CB 3.45Å; L623-Y674 HydrophobicContact CD1-CD1 4.28Å; L623-Y674 HydrophobicContact CD1-CD2 3.86Å; L623-Y674 HydrophobicContact CD1-CG 3.62Å
624	V	94.2	Very high	83.7	Confident	35 Å²	35	51 Å²	51	21%	0.212	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.7	169.9	-178.3	0	0	0	0	108.8	I589 L591 E598	I589-V624 HydrophobicContact CD1-CG2 3.94Å; I589-V624 HydrophobicContact CG1-CB 4.46Å; I589-V624 HydrophobicContact CG1-CG2 3.91Å; I589-V624 WeakPolarHBondContact O-CA 3.48Å; L591-V624 HydrophobicContact CD1-CG1 3.81Å; L591-V624 HydrophobicContact CD1-CG2 4.07Å; L591-V624 HydrophobicContact CG-CG1 4Å; E598-V624 HydrophobicContact CB-CG2 4.38Å
625	V	93.6	Very high	82.4	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.042	28%	0.276	C	S	.	.			trans	-128	154.4	176.5	-63.2	0	0	0	0	110.2	F588 I589 V590 L623 R627 L628 I667 A670	F588-V625 HydrophobicContact CB-CG2 4.22Å; F588-V625 HydrophobicContact CD1-CG1 3.98Å; I589-V625 PolarHBondContact O-N 2.74Å; V590-V625 WeakPolarHBondContact CA-O 3.39Å; V590-V625 HydrophobicContact CG2-CG2 4.15Å; L623-V625 HydrophobicContact CD2-CG1 3.9Å; L623-V625 HydrophobicContact CG-CG1 3.95Å; V625-R627 VanDerWaalsContact C-N 3.33Å; V625-R627 PolarHBondContact O-N 2.67Å; V625-L628 HydrophobicContact CG2-CD2 3.98Å; V625-I667 HydrophobicContact CB-CG1 4.35Å; V625-I667 HydrophobicContact CG1-CG1 4.12Å; V625-I667 HydrophobicContact CG1-CG2 4.25Å; V625-A670 HydrophobicContact CG1-CB 4.46Å
626	K	90.6	Very high	81.5	Confident	178 Å²	178	49.6 Å²	49.6	77%	0.774	24%	0.244	S	C	*	.	S	Bend	trans	-67.9	-34.4	179	-66.7	-174.1	177.7	-175.2	0	112.8	V590	V590-K626 WeakPolarHBondContact CG1-O 3.04Å
627	R	86	Confident	80.9	Confident	86 Å²	86	48.7 Å²	48.7	33%	0.325	24%	0.242	S	C	.	.	S	Bend	trans	-164.9	159.1	-177.8	52	-178.1	175.9	161.2	3	110	V625 D660 S662 V663 E666	V625-R627 VanDerWaalsContact C-N 3.33Å; V625-R627 PolarHBondContact O-N 2.67Å; R627-D660 IonicContact CZ-OD2 2.99Å; R627-D660 IonicContact NH1-OD2 3.39Å; R627-D660 PolarHBondContact NH1-OD2 3.43Å; R627-D660 IonicContact NH2-OD2 3.13Å; R627-D660 PolarHBondContact NH2-OD2 2.91Å; R627-S662 PolarHBondContact NH2-OG 3.3Å; R627-V663 HydrophobicContact CG-CG2 3.83Å; R627-E666 IonicContact CZ-OE1 3.13Å; R627-E666 IonicContact CZ-OE2 2.82Å; R627-E666 IonicContact NE-OE1 3.65Å; R627-E666 IonicContact NE-OE2 3.73Å; R627-E666 PolarHBondContact NE-OE2 3.35Å; R627-E666 IonicContact NH2-OE1 2.69Å; R627-E666 PolarHBondContact NH2-OE1 3.3Å; R627-E666 IonicContact NH2-OE2 2.73Å
628	L	89.6	Confident	80.7	Confident	9 Å²	9	50.7 Å²	50.7	5%	0.047	25%	0.249	C	C	.	.			trans	-93.9	150	179.2	-65.4	173.2	0	0	0	111.5	E570 A572 F588 V590 V625 K630 V636	E570-L628 HydrophobicContact CB-CD1 3.9Å; A572-L628 HydrophobicContact CB-CD1 3.82Å; A572-L628 HydrophobicContact CB-CD2 3.87Å; A572-L628 HydrophobicContact CB-CG 4.48Å; F588-L628 HydrophobicContact CB-CD2 3.66Å; V590-L628 HydrophobicContact CG2-CG 4.07Å; V625-L628 HydrophobicContact CG2-CD2 3.98Å; L628-K630 PolarHBondContact O-N 3.4Å; L628-V636 HydrophobicContact CB-CG1 4.42Å; L628-V636 HydrophobicContact CB-CG2 4.27Å; L628-V636 HydrophobicContact CD1-CG2 4.01Å
629	P	86.1	Confident	80	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.			trans	-73.6	111.6	177.3	29.7	-29	0	0	0	108.8	V636 M637 L640 L641 L658 V663 I667	P629-V636 CarbonylContact O-C 3.56Å; P629-V636 WeakPolarHBondContact O-CA 3.31Å; P629-M637 PolarHBondContact O-N 3.06Å; P629-L640 HydrophobicContact CB-CD1 4.37Å; P629-L641 HydrophobicContact CG-CD1 4.44Å; P629-L641 HydrophobicContact CG-CD2 3.69Å; P629-L641 HydrophobicContact CG-CG 3.79Å; P629-L658 HydrophobicContact CB-CD1 3.78Å; P629-V663 HydrophobicContact CB-CG1 3.85Å; P629-I667 HydrophobicContact CG-CD1 4.09Å
630	K	76.6	Confident	79.5	Confident	50 Å²	50	54.4 Å²	54.4	22%	0.217	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-118.4	148.1	-176.7	-67.2	174.7	-174.5	172.4	0	112.2	E570 L628 K635 V636 L658 E659	E570-K630 IonicContact OE1-NZ 2.65Å; E570-K630 PolarHBondContact OE1-NZ 2.82Å; E570-K630 WeakPolarHBondContact OE2-CE 3.49Å; E570-K630 IonicContact OE2-NZ 2.58Å; E570-K630 PolarHBondContact OE2-NZ 3.4Å; L628-K630 PolarHBondContact O-N 3.4Å; K630-K635 CarbonylContact C-O 3.53Å; K630-K635 VanDerWaalsContact CA-O 3.25Å; K630-K635 WeakPolarHBondContact CA-O 3.38Å; K630-V636 HydrophobicContact CG-CG2 4.22Å; K630-L658 WeakPolarHBondContact O-CD1 3.09Å; K630-E659 WeakPolarHBondContact O-CB 3.49Å; K630-E659 PolarHBondContact O-N 2.94Å
631	T	52	Low	79.4	Confident	24 Å²	24	52.3 Å²	52.3	15%	0.147	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-66.3	165.7	165.3	64.3	0	0	0	0	110.4	S633 G634 K635 M637 T657	T631-S633 PolarHBondContact O-N 3.47Å; T631-S633 PolarHBondContact OG1-N 2.95Å; T631-S633 PolarHBondContact OG1-OG 3.26Å; T631-G634 WeakPolarHBondContact O-CA 3.39Å; T631-G634 PolarHBondContact O-N 3.45Å; T631-K635 HydrophobicContact CG2-CB 4.37Å; T631-K635 PolarHBondContact N-O 3.26Å; T631-K635 PolarHBondContact OG1-N 3.28Å; T631-K635 VanDerWaalsContact OG1-N 3.14Å; T631-M637 HydrophobicContact CG2-CG 3.82Å; T631-M637 HydrophobicContact CG2-SD 4.08Å; T631-T657 WeakPolarHBondContact CA-O 3.46Å
632	R	59.4	Low	79.1	Confident	204 Å²	204	55 Å²	55	77%	0.77	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-16.5	171	-63.8	-176.8	-176	179.9	1.5	114.7	T657	R632-T657 PolarHBondContact N-O 3Å
633	S	51.3	Low	78.6	Confident	106 Å²	106	57 Å²	57	74%	0.741	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	5	174.7	71.1	0	0	0	0	113.3	T631	T631-S633 PolarHBondContact O-N 3.47Å; T631-S633 PolarHBondContact OG1-N 2.95Å; T631-S633 PolarHBondContact OG1-OG 3.26Å
634	G	52.2	Low	78.3	Confident	40 Å²	40	56.8 Å²	56.8	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	84.9	3.4	179.2	0	0	0	0	0	115.9	T631	T631-G634 WeakPolarHBondContact O-CA 3.39Å; T631-G634 PolarHBondContact O-N 3.45Å
635	K	59.6	Low	78	Confident	136 Å²	136	56.2 Å²	56.2	59%	0.591	26%	0.261	S	S	*	.			trans	-77.8	127.2	-178.9	-175.1	179	179	-179.8	0	110.6	K630 T631 M637	K630-K635 CarbonylContact C-O 3.53Å; K630-K635 VanDerWaalsContact CA-O 3.25Å; K630-K635 WeakPolarHBondContact CA-O 3.38Å; T631-K635 HydrophobicContact CG2-CB 4.37Å; T631-K635 PolarHBondContact N-O 3.26Å; T631-K635 PolarHBondContact OG1-N 3.28Å; T631-K635 VanDerWaalsContact OG1-N 3.14Å; K635-M637 PolarHBondContact O-N 3.23Å
636	V	74.2	Confident	77.6	Confident	22 Å²	22	59 Å²	59	13%	0.133	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-63.6	127.7	174.9	-178.6	0	0	0	0	110.9	A572 L628 P629 K630 R638 L641	A572-V636 HydrophobicContact CB-CG1 3.84Å; L628-V636 HydrophobicContact CB-CG1 4.42Å; L628-V636 HydrophobicContact CB-CG2 4.27Å; L628-V636 HydrophobicContact CD1-CG2 4.01Å; P629-V636 CarbonylContact O-C 3.56Å; P629-V636 WeakPolarHBondContact O-CA 3.31Å; K630-V636 HydrophobicContact CG-CG2 4.22Å; V636-R638 HydrophobicContact CG1-CG 4.25Å; V636-R638 PolarHBondContact O-N 3.28Å; V636-R638 VanDerWaalsContact O-N 3.16Å; V636-L641 HydrophobicContact CG1-CD1 4Å
637	M	75	Confident	77.1	Confident	24 Å²	24	53 Å²	53	12%	0.118	26%	0.259	C	S	.	.			trans	-86.7	74	177.3	-64.6	-174.3	72.9	0	0	110.8	P629 T631 K635 R639 L640 L641 L658	P629-M637 PolarHBondContact O-N 3.06Å; T631-M637 HydrophobicContact CG2-CG 3.82Å; T631-M637 HydrophobicContact CG2-SD 4.08Å; K635-M637 PolarHBondContact O-N 3.23Å; M637-R639 PolarHBondContact O-N 3.31Å; M637-R639 VanDerWaalsContact O-N 3.13Å; M637-L640 HydrophobicContact CB-CB 4.44Å; M637-L640 HydrophobicContact CB-CD1 3.86Å; M637-L640 HydrophobicContact CB-CG 3.99Å; M637-L640 HydrophobicContact CE-CD1 3.83Å; M637-L640 HydrophobicContact CE-CG 4.17Å; M637-L640 HydrophobicContact CG-CD1 4.46Å; M637-L640 WeakPolarHBondContact O-CB 3.18Å; M637-L640 PolarHBondContact O-N 3.04Å; M637-L640 HydrophobicContact SD-CD1 3.79Å; M637-L641 PolarHBondContact O-N 3.25Å; M637-L658 HydrophobicContact CG-CD1 4.44Å; M637-L658 HydrophobicContact SD-CB 4.05Å; M637-L658 HydrophobicContact SD-CD1 3.52Å; M637-L658 VanDerWaalsContact SD-CD1 3.52Å; M637-L658 HydrophobicContact SD-CG 4.37Å
638	R	84.8	Confident	76.8	Confident	42 Å²	42	56.6 Å²	56.6	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-30.6	-179.4	-71.2	-175.6	-178.9	88.2	7.3	114.2	D544 E559 V573 I574 V636 L640 L641 R642	D544-R638 WeakPolarHBondContact OD1-CD 3.48Å; D544-R638 IonicContact OD2-CZ 3.01Å; D544-R638 IonicContact OD2-NE 2.66Å; D544-R638 IonicContact OD2-NH1 3.44Å; D544-R638 PolarHBondContact OD2-NH1 3.14Å; E559-R638 IonicContact OE1-CZ 3.7Å; E559-R638 IonicContact OE1-NE 2.74Å; E559-R638 PolarHBondContact OE1-NE 3.14Å; E559-R638 IonicContact OE1-NH2 3.94Å; E559-R638 PolarHBondContact OE1-NH2 3.26Å; E559-R638 IonicContact OE2-CZ 3.55Å; E559-R638 IonicContact OE2-NH2 3.64Å; E559-R638 PolarHBondContact OE2-NH2 3.48Å; V573-R638 PolarHBondContact O-NE 3.26Å; I574-R638 HydrophobicContact CG2-CB 3.93Å; I574-R638 HydrophobicContact CG2-CG 4.14Å; V636-R638 HydrophobicContact CG1-CG 4.25Å; V636-R638 PolarHBondContact O-N 3.28Å; V636-R638 VanDerWaalsContact O-N 3.16Å; R638-L640 VanDerWaalsContact C-N 3.28Å; R638-L640 PolarHBondContact O-N 2.85Å; R638-L641 WeakPolarHBondContact O-CB 3.4Å; R638-L641 PolarHBondContact O-N 3.09Å; R638-R642 PolarHBondContact O-N 2.78Å
639	R	80.7	Confident	76.1	Confident	107 Å²	107	57 Å²	57	40%	0.404	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-39.6	173.5	-173.5	178.1	62.3	71	-1.1	112.4	M637 R642 K643 L652 D654	M637-R639 PolarHBondContact O-N 3.31Å; M637-R639 VanDerWaalsContact O-N 3.13Å; R639-R642 PolarHBondContact O-N 3.33Å; R639-K643 WeakPolarHBondContact O-CG 3.43Å; R639-K643 PolarHBondContact O-N 2.9Å; R639-L652 PolarHBondContact NH1-O 3.48Å; R639-D654 PolarHBondContact NH2-O 3.41Å
640	L	85.5	Confident	75.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.7	-43.5	178.3	-60.6	-179	0	0	0	111	P629 M637 R638 R642 K643 I644 L652 T655 L658 I664	P629-L640 HydrophobicContact CB-CD1 4.37Å; M637-L640 HydrophobicContact CB-CB 4.44Å; M637-L640 HydrophobicContact CB-CD1 3.86Å; M637-L640 HydrophobicContact CB-CG 3.99Å; M637-L640 HydrophobicContact CE-CD1 3.83Å; M637-L640 HydrophobicContact CE-CG 4.17Å; M637-L640 HydrophobicContact CG-CD1 4.46Å; M637-L640 WeakPolarHBondContact O-CB 3.18Å; M637-L640 PolarHBondContact O-N 3.04Å; M637-L640 HydrophobicContact SD-CD1 3.79Å; R638-L640 VanDerWaalsContact C-N 3.28Å; R638-L640 PolarHBondContact O-N 2.85Å; L640-R642 VanDerWaalsContact C-N 3.26Å; L640-R642 PolarHBondContact O-N 3.36Å; L640-K643 PolarHBondContact O-N 2.63Å; L640-I644 VanDerWaalsContact O-CG1 3.29Å; L640-I644 WeakPolarHBondContact O-CG1 3.3Å; L640-I644 PolarHBondContact O-N 2.76Å; L640-L652 HydrophobicContact CD2-CB 4.03Å; L640-L652 HydrophobicContact CD2-CD2 4.04Å; L640-L652 WeakPolarHBondContact CD2-O 3.48Å; L640-T655 HydrophobicContact CD1-CG2 4.38Å; L640-T655 HydrophobicContact CD2-CG2 3.92Å; L640-L658 HydrophobicContact CD1-CD1 4.03Å; L640-L658 HydrophobicContact CD1-CD2 4.15Å; L640-I664 HydrophobicContact CD1-CD1 4.39Å
641	L	91.4	Very high	75.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-55.3	-45.2	173	-65.3	176.3	0	0	0	110.7	A572 I574 F588 P629 V636 M637 R638 I644 I645 I667	A572-L641 HydrophobicContact CB-CD1 3.74Å; I574-L641 HydrophobicContact CD1-CB 4.17Å; I574-L641 HydrophobicContact CG2-CB 3.99Å; I574-L641 HydrophobicContact CG2-CD1 4.38Å; F588-L641 HydrophobicContact CD1-CD2 3.86Å; F588-L641 HydrophobicContact CD2-CB 4.33Å; F588-L641 HydrophobicContact CD2-CD1 3.8Å; F588-L641 HydrophobicContact CD2-CD2 4.11Å; F588-L641 HydrophobicContact CD2-CG 4.3Å; F588-L641 HydrophobicContact CE1-CD2 3.76Å; F588-L641 HydrophobicContact CE2-CB 3.72Å; F588-L641 HydrophobicContact CE2-CD1 4.06Å; F588-L641 HydrophobicContact CE2-CD2 4.04Å; F588-L641 HydrophobicContact CE2-CG 4.15Å; F588-L641 HydrophobicContact CG-CD1 4.24Å; F588-L641 HydrophobicContact CG-CD2 4.02Å; F588-L641 HydrophobicContact CZ-CB 3.88Å; F588-L641 HydrophobicContact CZ-CD2 3.85Å; F588-L641 HydrophobicContact CZ-CG 4.34Å; P629-L641 HydrophobicContact CG-CD1 4.44Å; P629-L641 HydrophobicContact CG-CD2 3.69Å; P629-L641 HydrophobicContact CG-CG 3.79Å; V636-L641 HydrophobicContact CG1-CD1 4Å; M637-L641 PolarHBondContact O-N 3.25Å; R638-L641 WeakPolarHBondContact O-CB 3.4Å; R638-L641 PolarHBondContact O-N 3.09Å; L641-I644 PolarHBondContact O-N 3.33Å; L641-I645 WeakPolarHBondContact O-CG1 3.3Å; L641-I645 PolarHBondContact O-N 2.73Å; L641-I645 VanDerWaalsContact O-N 3.14Å; L641-I667 HydrophobicContact CD2-CD1 3.95Å; L641-I667 HydrophobicContact CD2-CG2 4.39Å
642	R	88	Confident	76.5	Confident	74 Å²	74	68 Å²	68	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-49.5	176.8	-164.4	178.9	-67.1	-114.8	7.9	111.8	I574 G575 E583 R638 R639 L640 I644 I645 T646	I574-R642 HydrophobicContact CD1-CB 3.98Å; I574-R642 HydrophobicContact CD1-CG 4.4Å; G575-R642 PolarHBondContact O-NH1 2.79Å; E583-R642 IonicContact OE1-NH1 3.05Å; E583-R642 PolarHBondContact OE1-NH1 3.39Å; R638-R642 PolarHBondContact O-N 2.78Å; R639-R642 PolarHBondContact O-N 3.33Å; L640-R642 VanDerWaalsContact C-N 3.26Å; L640-R642 PolarHBondContact O-N 3.36Å; R642-I644 VanDerWaalsContact C-N 3.32Å; R642-I644 PolarHBondContact O-N 2.88Å; R642-I645 PolarHBondContact O-N 2.94Å; R642-T646 HydrophobicContact CG-CG2 4.2Å; R642-T646 WeakPolarHBondContact O-CG2 3.43Å; R642-T646 PolarHBondContact O-N 2.8Å; R642-T646 PolarHBondContact O-OG1 2.74Å
643	K	85.2	Confident	77	Confident	48 Å²	48	60.1 Å²	60.1	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-31.9	178	-72.2	-163.6	169.9	-167.6	0	113.7	R639 L640 S647 R648 G649 D651 L652	R639-K643 WeakPolarHBondContact O-CG 3.43Å; R639-K643 PolarHBondContact O-N 2.9Å; L640-K643 PolarHBondContact O-N 2.63Å; K643-S647 CarbonylContact O-C 3.48Å; K643-S647 WeakPolarHBondContact O-CA 3.45Å; K643-S647 WeakPolarHBondContact O-CB 3.25Å; K643-S647 PolarHBondContact O-N 2.76Å; K643-R648 PolarHBondContact O-N 3.04Å; K643-G649 PolarHBondContact O-N 3.48Å; K643-G649 VanDerWaalsContact O-N 3.08Å; K643-D651 WeakPolarHBondContact CD-O 3.27Å; K643-D651 VanDerWaalsContact CE-O 3.29Å; K643-D651 WeakPolarHBondContact CE-O 3.46Å; K643-D651 PolarHBondContact NZ-O 2.83Å; K643-D651 IonicContact NZ-OD2 2.67Å; K643-D651 PolarHBondContact NZ-OD2 3.26Å; K643-D651 VanDerWaalsContact NZ-OD2 3.12Å; K643-L652 HydrophobicContact CB-CD2 3.91Å
644	I	89.1	Confident	77.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-46.9	173.6	-72.9	167	0	0	0	110.3	L640 L641 R642 R648 I664 I667 L668 F671	L640-I644 VanDerWaalsContact O-CG1 3.29Å; L640-I644 WeakPolarHBondContact O-CG1 3.3Å; L640-I644 PolarHBondContact O-N 2.76Å; L641-I644 PolarHBondContact O-N 3.33Å; R642-I644 VanDerWaalsContact C-N 3.32Å; R642-I644 PolarHBondContact O-N 2.88Å; I644-R648 VanDerWaalsContact O-CA 3.25Å; I644-R648 WeakPolarHBondContact O-CA 3.45Å; I644-R648 PolarHBondContact O-N 3.44Å; I644-R648 VanDerWaalsContact O-N 3.15Å; I644-I664 HydrophobicContact CD1-CG2 4.46Å; I644-I667 HydrophobicContact CD1-CB 4.08Å; I644-I667 HydrophobicContact CD1-CG2 3.82Å; I644-I667 HydrophobicContact CG2-CG2 4.11Å; I644-L668 HydrophobicContact CB-CD2 4.34Å; I644-L668 HydrophobicContact CG1-CD2 4.15Å; I644-L668 HydrophobicContact CG1-CG 4.18Å; I644-L668 HydrophobicContact CG2-CD2 3.77Å; I644-L668 HydrophobicContact CG2-CG 4.23Å; I644-F671 HydrophobicContact CG2-CB 4.4Å; I644-F671 HydrophobicContact CG2-CD1 4.27Å
645	I	88.1	Confident	78.9	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-71.8	-47	-179.7	-58.5	-55.4	0	0	0	111.8	I574 Y576 F586 F588 L641 R642 F671	I574-I645 HydrophobicContact CD1-CB 4.49Å; I574-I645 HydrophobicContact CD1-CG1 4.07Å; Y576-I645 HydrophobicContact CG-CG2 4.45Å; F586-I645 HydrophobicContact CD1-CD1 4.32Å; F586-I645 HydrophobicContact CD1-CG1 4.43Å; F586-I645 HydrophobicContact CD2-CD1 4.09Å; F586-I645 HydrophobicContact CD2-CG1 4.15Å; F586-I645 HydrophobicContact CD2-CG2 3.97Å; F586-I645 HydrophobicContact CE1-CD1 3.81Å; F586-I645 HydrophobicContact CE1-CG1 4.4Å; F586-I645 HydrophobicContact CE2-CD1 3.57Å; F586-I645 HydrophobicContact CE2-CG1 4.13Å; F586-I645 HydrophobicContact CE2-CG2 4.13Å; F586-I645 HydrophobicContact CG-CD1 4.47Å; F586-I645 HydrophobicContact CG-CG1 4.33Å; F586-I645 HydrophobicContact CZ-CD1 3.42Å; F586-I645 VanDerWaalsContact CZ-CD1 3.42Å; F586-I645 HydrophobicContact CZ-CG1 4.28Å; F588-I645 HydrophobicContact CE1-CD1 4.18Å; F588-I645 HydrophobicContact CE2-CG1 4.46Å; F588-I645 HydrophobicContact CZ-CD1 3.76Å; F588-I645 HydrophobicContact CZ-CG1 3.66Å; L641-I645 WeakPolarHBondContact O-CG1 3.3Å; L641-I645 PolarHBondContact O-N 2.73Å; L641-I645 VanDerWaalsContact O-N 3.14Å; R642-I645 PolarHBondContact O-N 2.94Å; I645-F671 HydrophobicContact CD1-CD1 4.13Å; I645-F671 HydrophobicContact CD1-CD2 3.43Å; I645-F671 VanDerWaalsContact CD1-CD2 3.43Å; I645-F671 HydrophobicContact CD1-CE1 4.08Å; I645-F671 HydrophobicContact CD1-CE2 3.39Å; I645-F671 HydrophobicContact CD1-CG 3.83Å; I645-F671 HydrophobicContact CD1-CZ 3.72Å; I645-F671 HydrophobicContact CG2-CZ 4.27Å
646	T	84.4	Confident	79.2	Confident	67 Å²	67	58.3 Å²	58.3	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-82.5	-27.1	-172.3	61.8	0	0	0	0	114	P577 R642	P577-T646 HydrophobicContact CG-CG2 4.3Å; R642-T646 HydrophobicContact CG-CG2 4.2Å; R642-T646 WeakPolarHBondContact O-CG2 3.43Å; R642-T646 PolarHBondContact O-N 2.8Å; R642-T646 PolarHBondContact O-OG1 2.74Å
647	S	80	Confident	78.7	Confident	52 Å²	52	60.6 Å²	60.6	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-137.3	12.7	-167.7	-50.2	0	0	0	0	113.1	K643 G649 Q650	K643-S647 CarbonylContact O-C 3.48Å; K643-S647 WeakPolarHBondContact O-CA 3.45Å; K643-S647 WeakPolarHBondContact O-CB 3.25Å; K643-S647 PolarHBondContact O-N 2.76Å; S647-G649 PolarHBondContact O-N 3.5Å; S647-Q650 WeakPolarHBondContact O-CB 3.24Å; S647-Q650 WeakPolarHBondContact O-CG 3.45Å; S647-Q650 PolarHBondContact O-N 3.35Å
648	R	80.6	Confident	78.5	Confident	161 Å²	161	59.7 Å²	59.7	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	31.2	-176.4	-60	-173.7	177.3	-121.7	-2.6	113.3	K643 I644 Q650 L668	K643-R648 PolarHBondContact O-N 3.04Å; I644-R648 VanDerWaalsContact O-CA 3.25Å; I644-R648 WeakPolarHBondContact O-CA 3.45Å; I644-R648 PolarHBondContact O-N 3.44Å; I644-R648 VanDerWaalsContact O-N 3.15Å; R648-Q650 VanDerWaalsContact C-N 3.34Å; R648-Q650 PolarHBondContact O-N 2.71Å; R648-L668 WeakPolarHBondContact O-CD2 3.3Å
649	G	73.1	Confident	77.7	Confident	16 Å²	16	63.8 Å²	63.8	17%	0.165	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	16.9	-178.6	0	0	0	0	0	115.3	K643 S647 L652	K643-G649 PolarHBondContact O-N 3.48Å; K643-G649 VanDerWaalsContact O-N 3.08Å; S647-G649 PolarHBondContact O-N 3.5Å; G649-L652 WeakPolarHBondContact O-CG 3.39Å
650	Q	74.9	Confident	77.7	Confident	150 Å²	150	61.3 Å²	61.3	70%	0.701	33%	0.327	S	S	*	.	S	Bend	trans	-68.9	139.5	166.7	-67.6	-176.6	0.1	0	0	110.5	S647 R648	S647-Q650 WeakPolarHBondContact O-CB 3.24Å; S647-Q650 WeakPolarHBondContact O-CG 3.45Å; S647-Q650 PolarHBondContact O-N 3.35Å; R648-Q650 VanDerWaalsContact C-N 3.34Å; R648-Q650 PolarHBondContact O-N 2.71Å
651	D	74.2	Confident	77.7	Confident	124 Å²	124	65 Å²	65	66%	0.663	35%	0.351	S	S	*	.	S	Bend	trans	46.8	67.9	-176.4	176.1	40.1	0	0	0	112.2	K643 G653	K643-D651 WeakPolarHBondContact CD-O 3.27Å; K643-D651 VanDerWaalsContact CE-O 3.29Å; K643-D651 WeakPolarHBondContact CE-O 3.46Å; K643-D651 PolarHBondContact NZ-O 2.83Å; K643-D651 IonicContact NZ-OD2 2.67Å; K643-D651 PolarHBondContact NZ-OD2 3.26Å; K643-D651 VanDerWaalsContact NZ-OD2 3.12Å; D651-G653 PolarHBondContact O-N 3.27Å
652	L	75.9	Confident	77.5	Confident	31 Å²	31	67.4 Å²	67.4	16%	0.162	37%	0.368	C	S	.	.			trans	-67.5	-1	179.3	-70.7	168.5	0	0	0	113.9	R639 L640 K643 G649 T655 I664	R639-L652 PolarHBondContact NH1-O 3.48Å; L640-L652 HydrophobicContact CD2-CB 4.03Å; L640-L652 HydrophobicContact CD2-CD2 4.04Å; L640-L652 WeakPolarHBondContact CD2-O 3.48Å; K643-L652 HydrophobicContact CB-CD2 3.91Å; G649-L652 WeakPolarHBondContact O-CG 3.39Å; L652-T655 HydrophobicContact CB-CG2 3.91Å; L652-I664 HydrophobicContact CD1-CD1 3.93Å; L652-I664 HydrophobicContact CD1-CG1 4.45Å; L652-I664 HydrophobicContact CD1-CG2 3.58Å
653	G	68.4	Low	77.5	Confident	40 Å²	40	64.1 Å²	64.1	41%	0.412	36%	0.355	S	S	.	.			trans	58.8	-155	-168.7	0	0	0	0	0	111.8	D651 T655	D651-G653 PolarHBondContact O-N 3.27Å; G653-T655 PolarHBondContact O-N 2.9Å
654	D	67	Low	77.7	Confident	94 Å²	94	62.5 Å²	62.5	50%	0.503	35%	0.349	S	S	.	.			trans	-67.3	125.8	177.9	-176.6	16.9	0	0	0	111.8	R639 T656	R639-D654 PolarHBondContact NH2-O 3.41Å; D654-T656 VanDerWaalsContact OD1-CB 3.27Å; D654-T656 WeakPolarHBondContact OD1-CB 3.33Å; D654-T656 WeakPolarHBondContact OD1-CG2 3.4Å; D654-T656 PolarHBondContact OD1-N 2.9Å; D654-T656 PolarHBondContact OD1-OG1 2.83Å; D654-T656 PolarHBondContact OD2-OG1 2.73Å
655	T	76.7	Confident	77.7	Confident	43 Å²	43	66.8 Å²	66.8	26%	0.264	38%	0.376	S	S	.	.			trans	-121	6.2	176.2	56.5	0	0	0	0	112.4	L640 L652 G653 T657 L658 I664	L640-T655 HydrophobicContact CD1-CG2 4.38Å; L640-T655 HydrophobicContact CD2-CG2 3.92Å; L652-T655 HydrophobicContact CB-CG2 3.91Å; G653-T655 PolarHBondContact O-N 2.9Å; T655-T657 PolarHBondContact O-N 3.41Å; T655-T657 VanDerWaalsContact O-N 3.14Å; T655-L658 WeakPolarHBondContact O-CB 3.14Å; T655-L658 PolarHBondContact O-N 3.39Å; T655-I664 HydrophobicContact CG2-CD1 4.11Å
656	T	67	Low	77.9	Confident	107 Å²	107	68.6 Å²	68.6	66%	0.656	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.6	-175.2	58.3	0	0	0	0	114.1	D654	D654-T656 VanDerWaalsContact OD1-CB 3.27Å; D654-T656 WeakPolarHBondContact OD1-CB 3.33Å; D654-T656 WeakPolarHBondContact OD1-CG2 3.4Å; D654-T656 PolarHBondContact OD1-N 2.9Å; D654-T656 PolarHBondContact OD1-OG1 2.83Å; D654-T656 PolarHBondContact OD2-OG1 2.73Å
657	T	62.9	Low	78.3	Confident	69 Å²	69	65.5 Å²	65.5	42%	0.423	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.5	178.3	55.1	0	0	0	0	114.1	T631 R632 T655	T631-T657 WeakPolarHBondContact CA-O 3.46Å; R632-T657 PolarHBondContact N-O 3Å; T655-T657 PolarHBondContact O-N 3.41Å; T655-T657 VanDerWaalsContact O-N 3.14Å
658	L	70.8	Confident	78.9	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.031	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-66.6	133.3	178	-169.2	67.1	0	0	0	109.6	P629 K630 M637 L640 T655 V663 I664	P629-L658 HydrophobicContact CB-CD1 3.78Å; K630-L658 WeakPolarHBondContact O-CD1 3.09Å; M637-L658 HydrophobicContact CG-CD1 4.44Å; M637-L658 HydrophobicContact SD-CB 4.05Å; M637-L658 HydrophobicContact SD-CD1 3.52Å; M637-L658 VanDerWaalsContact SD-CD1 3.52Å; M637-L658 HydrophobicContact SD-CG 4.37Å; L640-L658 HydrophobicContact CD1-CD1 4.03Å; L640-L658 HydrophobicContact CD1-CD2 4.15Å; T655-L658 WeakPolarHBondContact O-CB 3.14Å; T655-L658 PolarHBondContact O-N 3.39Å; L658-V663 HydrophobicContact CD1-CG1 4.25Å; L658-V663 HydrophobicContact CD2-CG1 4.01Å; L658-V663 HydrophobicContact CG-CG1 4.4Å; L658-I664 HydrophobicContact CD2-CD1 3.44Å; L658-I664 VanDerWaalsContact CD2-CD1 3.44Å; L658-I664 HydrophobicContact CD2-CG1 3.87Å
659	E	68.9	Low	79.5	Confident	127 Å²	127	60.1 Å²	60.1	59%	0.593	35%	0.347	S	S	*	.	S	Bend	trans	-64.6	-44.8	-178	-176	-177.3	176.6	0	0	111.8	K630	K630-E659 WeakPolarHBondContact O-CB 3.49Å; K630-E659 PolarHBondContact O-N 2.94Å
660	D	80.8	Confident	80.4	Confident	55 Å²	55	60.5 Å²	60.5	29%	0.294	35%	0.349	S	S	.	.			trans	-137.3	108.2	177.9	-174.8	-11.2	0	0	0	110.4	R627 S662 V663	R627-D660 IonicContact CZ-OD2 2.99Å; R627-D660 IonicContact NH1-OD2 3.39Å; R627-D660 PolarHBondContact NH1-OD2 3.43Å; R627-D660 IonicContact NH2-OD2 3.13Å; R627-D660 PolarHBondContact NH2-OD2 2.91Å; D660-S662 VanDerWaalsContact C-N 3.26Å; D660-S662 PolarHBondContact O-N 2.97Å; D660-S662 WeakPolarHBondContact OD1-CB 3.22Å; D660-S662 PolarHBondContact OD1-N 3.4Å; D660-S662 PolarHBondContact OD1-OG 3.39Å; D660-S662 PolarHBondContact OD2-OG 3.08Å; D660-V663 WeakPolarHBondContact O-CG1 3.34Å; D660-V663 PolarHBondContact O-N 2.86Å
661	P	84.3	Confident	81.3	Confident	78 Å²	78	54.1 Å²	54.1	51%	0.506	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.7	176.8	-25.6	35.7	0	0	0	115.7	V663 I664	P661-V663 PolarHBondContact O-N 3.49Å; P661-I664 PolarHBondContact O-N 2.95Å
662	S	87.9	Confident	82.1	Confident	51 Å²	51	53 Å²	53	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-22	-177.2	84.2	0	0	0	0	112.6	R627 D660 I664 T665 E666	R627-S662 PolarHBondContact NH2-OG 3.3Å; D660-S662 VanDerWaalsContact C-N 3.26Å; D660-S662 PolarHBondContact O-N 2.97Å; D660-S662 WeakPolarHBondContact OD1-CB 3.22Å; D660-S662 PolarHBondContact OD1-N 3.4Å; D660-S662 PolarHBondContact OD1-OG 3.39Å; D660-S662 PolarHBondContact OD2-OG 3.08Å; S662-I664 PolarHBondContact O-N 2.92Å; S662-T665 PolarHBondContact O-N 2.74Å; S662-T665 VanDerWaalsContact O-N 3.12Å; S662-E666 PolarHBondContact O-N 3.5Å; S662-E666 VanDerWaalsContact O-N 3.1Å; S662-E666 PolarHBondContact OG-OE1 3.28Å
663	V	88	Confident	82.8	Confident	4 Å²	4	58 Å²	58	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-32.9	176.1	73.9	0	0	0	0	112.5	R627 P629 L658 D660 P661 E666 I667	R627-V663 HydrophobicContact CG-CG2 3.83Å; P629-V663 HydrophobicContact CB-CG1 3.85Å; L658-V663 HydrophobicContact CD1-CG1 4.25Å; L658-V663 HydrophobicContact CD2-CG1 4.01Å; L658-V663 HydrophobicContact CG-CG1 4.4Å; D660-V663 WeakPolarHBondContact O-CG1 3.34Å; D660-V663 PolarHBondContact O-N 2.86Å; P661-V663 PolarHBondContact O-N 3.49Å; V663-E666 PolarHBondContact O-N 3.48Å; V663-I667 HydrophobicContact CG2-CD1 3.79Å; V663-I667 HydrophobicContact CG2-CG1 4.26Å; V663-I667 WeakPolarHBondContact O-CB 3.25Å; V663-I667 VanDerWaalsContact O-CG1 3.23Å; V663-I667 WeakPolarHBondContact O-CG1 3.31Å; V663-I667 PolarHBondContact O-N 3.09Å
664	I	88.3	Confident	83.7	Confident	15 Å²	15	57.9 Å²	57.9	8%	0.077	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-47.7	179.1	-68.8	160.8	0	0	0	109.7	L640 I644 L652 T655 L658 P661 S662 E666 I667 L668	L640-I664 HydrophobicContact CD1-CD1 4.39Å; I644-I664 HydrophobicContact CD1-CG2 4.46Å; L652-I664 HydrophobicContact CD1-CD1 3.93Å; L652-I664 HydrophobicContact CD1-CG1 4.45Å; L652-I664 HydrophobicContact CD1-CG2 3.58Å; T655-I664 HydrophobicContact CG2-CD1 4.11Å; L658-I664 HydrophobicContact CD2-CD1 3.44Å; L658-I664 VanDerWaalsContact CD2-CD1 3.44Å; L658-I664 HydrophobicContact CD2-CG1 3.87Å; P661-I664 PolarHBondContact O-N 2.95Å; S662-I664 PolarHBondContact O-N 2.92Å; I664-E666 VanDerWaalsContact C-N 3.34Å; I664-I667 PolarHBondContact O-N 3.39Å; I664-L668 HydrophobicContact CG2-CD1 3.83Å; I664-L668 WeakPolarHBondContact O-CB 3.4Å; I664-L668 WeakPolarHBondContact O-CG 3.48Å; I664-L668 PolarHBondContact O-N 2.76Å
665	T	89.7	Confident	84.7	Confident	90 Å²	90	56.7 Å²	56.7	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-66.1	-37.9	179.5	-51.2	0	0	0	0	111.5	S662 S669	S662-T665 PolarHBondContact O-N 2.74Å; S662-T665 VanDerWaalsContact O-N 3.12Å; T665-S669 WeakPolarHBondContact O-CB 3.44Å; T665-S669 PolarHBondContact O-N 2.78Å; T665-S669 PolarHBondContact O-OG 2.91Å
666	E	91.9	Very high	85.2	Confident	60 Å²	60	59.9 Å²	59.9	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-48.2	175	-71.2	164.7	-146.4	0	0	111.5	R627 S662 V663 I664 S669 A670	R627-E666 IonicContact CZ-OE1 3.13Å; R627-E666 IonicContact CZ-OE2 2.82Å; R627-E666 IonicContact NE-OE1 3.65Å; R627-E666 IonicContact NE-OE2 3.73Å; R627-E666 PolarHBondContact NE-OE2 3.35Å; R627-E666 IonicContact NH2-OE1 2.69Å; R627-E666 PolarHBondContact NH2-OE1 3.3Å; R627-E666 IonicContact NH2-OE2 2.73Å; S662-E666 PolarHBondContact O-N 3.5Å; S662-E666 VanDerWaalsContact O-N 3.1Å; S662-E666 PolarHBondContact OG-OE1 3.28Å; V663-E666 PolarHBondContact O-N 3.48Å; I664-E666 VanDerWaalsContact C-N 3.34Å; E666-S669 PolarHBondContact O-N 2.78Å; E666-A670 PolarHBondContact O-N 3.26Å
667	I	94.2	Very high	86	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-41.4	179.5	-64.4	169.7	0	0	0	110.7	F588 V625 P629 L641 I644 V663 I664 S669 A670 F671	F588-I667 HydrophobicContact CD1-CG2 4.38Å; F588-I667 HydrophobicContact CE1-CG2 4Å; V625-I667 HydrophobicContact CB-CG1 4.35Å; V625-I667 HydrophobicContact CG1-CG1 4.12Å; V625-I667 HydrophobicContact CG1-CG2 4.25Å; P629-I667 HydrophobicContact CG-CD1 4.09Å; L641-I667 HydrophobicContact CD2-CD1 3.95Å; L641-I667 HydrophobicContact CD2-CG2 4.39Å; I644-I667 HydrophobicContact CD1-CB 4.08Å; I644-I667 HydrophobicContact CD1-CG2 3.82Å; I644-I667 HydrophobicContact CG2-CG2 4.11Å; V663-I667 HydrophobicContact CG2-CD1 3.79Å; V663-I667 HydrophobicContact CG2-CG1 4.26Å; V663-I667 WeakPolarHBondContact O-CB 3.25Å; V663-I667 VanDerWaalsContact O-CG1 3.23Å; V663-I667 WeakPolarHBondContact O-CG1 3.31Å; V663-I667 PolarHBondContact O-N 3.09Å; I664-I667 PolarHBondContact O-N 3.39Å; I667-S669 VanDerWaalsContact C-N 3.3Å; I667-S669 PolarHBondContact O-N 3.12Å; I667-A670 PolarHBondContact O-N 2.84Å; I667-F671 WeakPolarHBondContact O-CB 3.48Å; I667-F671 PolarHBondContact O-N 2.99Å
668	L	92.4	Very high	86.8	Confident	45 Å²	45	61.7 Å²	61.7	24%	0.236	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-43.7	174.1	-80.5	166.4	0	0	0	111.6	I644 R648 I664 F671 Q672	I644-L668 HydrophobicContact CB-CD2 4.34Å; I644-L668 HydrophobicContact CG1-CD2 4.15Å; I644-L668 HydrophobicContact CG1-CG 4.18Å; I644-L668 HydrophobicContact CG2-CD2 3.77Å; I644-L668 HydrophobicContact CG2-CG 4.23Å; R648-L668 WeakPolarHBondContact O-CD2 3.3Å; I664-L668 HydrophobicContact CG2-CD1 3.83Å; I664-L668 WeakPolarHBondContact O-CB 3.4Å; I664-L668 WeakPolarHBondContact O-CG 3.48Å; I664-L668 PolarHBondContact O-N 2.76Å; L668-F671 PolarHBondContact O-N 2.9Å; L668-Q672 WeakPolarHBondContact O-CB 3.37Å; L668-Q672 PolarHBondContact O-N 2.97Å
669	S	92.7	Very high	87.1	Confident	55 Å²	55	64.9 Å²	64.9	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-40.8	177.8	-58.5	0	0	0	0	111.8	T665 E666 I667 K673	T665-S669 WeakPolarHBondContact O-CB 3.44Å; T665-S669 PolarHBondContact O-N 2.78Å; T665-S669 PolarHBondContact O-OG 2.91Å; E666-S669 PolarHBondContact O-N 2.78Å; I667-S669 VanDerWaalsContact C-N 3.3Å; I667-S669 PolarHBondContact O-N 3.12Å; S669-K673 WeakPolarHBondContact O-CG 3.39Å; S669-K673 PolarHBondContact O-N 2.83Å; S669-K673 VanDerWaalsContact O-N 3.12Å
670	A	92.4	Very high	87.4	Confident	25 Å²	25	63 Å²	63	21%	0.207	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-45.2	175	0	0	0	0	0	111.3	V625 E666 I667 Q672 K673 Y674	V625-A670 HydrophobicContact CG1-CB 4.46Å; E666-A670 PolarHBondContact O-N 3.26Å; I667-A670 PolarHBondContact O-N 2.84Å; A670-Q672 PolarHBondContact O-N 2.95Å; A670-K673 PolarHBondContact O-N 3.2Å; A670-Y674 WeakPolarHBondContact O-CB 3.45Å; A670-Y674 PolarHBondContact O-N 3.44Å
671	F	92.9	Very high	86.9	Confident	15 Å²	15	66 Å²	66	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-39.4	178.2	-178.4	-123.6	0	0	0	112.1	F586 L623 I644 I645 I667 L668 Y674 E675	F586-F671 HydrophobicContact CE2-CE2 4.02Å; F586-F671 HydrophobicContact CZ-CD2 4.13Å; F586-F671 HydrophobicContact CZ-CE2 4.06Å; L623-F671 HydrophobicContact CD2-CB 3.94Å; L623-F671 HydrophobicContact CD2-CD2 4.31Å; I644-F671 HydrophobicContact CG2-CB 4.4Å; I644-F671 HydrophobicContact CG2-CD1 4.27Å; I645-F671 HydrophobicContact CD1-CD1 4.13Å; I645-F671 HydrophobicContact CD1-CD2 3.43Å; I645-F671 VanDerWaalsContact CD1-CD2 3.43Å; I645-F671 HydrophobicContact CD1-CE1 4.08Å; I645-F671 HydrophobicContact CD1-CE2 3.39Å; I645-F671 HydrophobicContact CD1-CG 3.83Å; I645-F671 HydrophobicContact CD1-CZ 3.72Å; I645-F671 HydrophobicContact CG2-CZ 4.27Å; I667-F671 WeakPolarHBondContact O-CB 3.48Å; I667-F671 PolarHBondContact O-N 2.99Å; L668-F671 PolarHBondContact O-N 2.9Å; F671-Y674 HydrophobicContact CD2-CD1 4.36Å; F671-Y674 HydrophobicContact CE2-CD1 4.47Å; F671-Y674 WeakPolarHBondContact O-CB 3.39Å; F671-Y674 PolarHBondContact O-N 3.13Å; F671-E675 HydrophobicContact CD2-CG 4.28Å; F671-E675 HydrophobicContact CE1-CG 4.26Å; F671-E675 HydrophobicContact CE2-CG 3.81Å; F671-E675 HydrophobicContact CZ-CG 3.81Å; F671-E675 WeakPolarHBondContact O-CG 3.28Å; F671-E675 PolarHBondContact O-N 3.17Å
672	Q	91.7	Very high	85.2	Confident	102 Å²	102	70.8 Å²	70.8	48%	0.477	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-47.1	175.2	-178.7	173.6	-9.1	0	0	111.9	L668 A670 Y674 E675 E676	L668-Q672 WeakPolarHBondContact O-CB 3.37Å; L668-Q672 PolarHBondContact O-N 2.97Å; A670-Q672 PolarHBondContact O-N 2.95Å; Q672-Y674 VanDerWaalsContact C-N 3.27Å; Q672-Y674 PolarHBondContact O-N 3.26Å; Q672-E675 PolarHBondContact O-N 2.91Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.32Å; Q672-E676 PolarHBondContact NE2-OE1 3.12Å; Q672-E676 VanDerWaalsContact NE2-OE1 3.1Å; Q672-E676 WeakPolarHBondContact O-CG 3.37Å; Q672-E676 PolarHBondContact O-N 3.44Å
673	K	89.8	Confident	85.1	Confident	135 Å²	135	71.8 Å²	71.8	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-60.4	-39.2	175.3	-72.3	176.3	-179	-176.8	0	112.1	S669 A670 E676 Q677	S669-K673 WeakPolarHBondContact O-CG 3.39Å; S669-K673 PolarHBondContact O-N 2.83Å; S669-K673 VanDerWaalsContact O-N 3.12Å; A670-K673 PolarHBondContact O-N 3.2Å; K673-E676 PolarHBondContact O-N 3.13Å; K673-Q677 WeakPolarHBondContact O-CB 3.35Å; K673-Q677 VanDerWaalsContact O-CG 3.3Å; K673-Q677 WeakPolarHBondContact O-CG 3.37Å; K673-Q677 PolarHBondContact O-N 2.88Å
674	Y	88.3	Confident	85	Confident	38 Å²	38	75.3 Å²	75.3	15%	0.149	41%	0.41	C	S	.	.	H	α-helix	trans	-61.9	-45.6	176.7	-178.8	-105.1	0	0	0	112.1	F586 Q621 L623 A670 F671 Q672 Q677 R678	F586-Y674 HydrophobicContact CZ-CE1 4.48Å; Q621-Y674 HydrophobicContact CB-CE1 4.36Å; Q621-Y674 PolarHBondContact OE1-OH 3.14Å; L623-Y674 VanDerWaalsContact CD1-CB 3.45Å; L623-Y674 HydrophobicContact CD1-CD1 4.28Å; L623-Y674 HydrophobicContact CD1-CD2 3.86Å; L623-Y674 HydrophobicContact CD1-CG 3.62Å; A670-Y674 WeakPolarHBondContact O-CB 3.45Å; A670-Y674 PolarHBondContact O-N 3.44Å; F671-Y674 HydrophobicContact CD2-CD1 4.36Å; F671-Y674 HydrophobicContact CE2-CD1 4.47Å; F671-Y674 WeakPolarHBondContact O-CB 3.39Å; F671-Y674 PolarHBondContact O-N 3.13Å; Q672-Y674 VanDerWaalsContact C-N 3.27Å; Q672-Y674 PolarHBondContact O-N 3.26Å; Y674-Q677 PolarHBondContact O-N 3.49Å; Y674-R678 HydrophobicContact CE1-CG 4.35Å; Y674-R678 WeakPolarHBondContact O-CG 3.41Å; Y674-R678 PolarHBondContact O-N 3.09Å
675	E	86.6	Confident	84.8	Confident	69 Å²	69	78.7 Å²	78.7	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-64.6	-39.8	175.6	-73.1	-69.8	106.9	0	0	112.1	F671 Q672 R678 A679	F671-E675 HydrophobicContact CD2-CG 4.28Å; F671-E675 HydrophobicContact CE1-CG 4.26Å; F671-E675 HydrophobicContact CE2-CG 3.81Å; F671-E675 HydrophobicContact CZ-CG 3.81Å; F671-E675 WeakPolarHBondContact O-CG 3.28Å; F671-E675 PolarHBondContact O-N 3.17Å; Q672-E675 PolarHBondContact O-N 2.91Å; E675-R678 PolarHBondContact O-N 2.79Å; E675-A679 WeakPolarHBondContact O-CB 3.15Å; E675-A679 PolarHBondContact O-N 3.13Å
676	E	87.7	Confident	84.5	Confident	109 Å²	109	78 Å²	78	51%	0.509	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-43.8	175	-73.4	168.5	-170.2	0	0	111.9	Q672 K673 R678 A679 A680	Q672-E676 WeakPolarHBondContact CG-OE1 3.32Å; Q672-E676 PolarHBondContact NE2-OE1 3.12Å; Q672-E676 VanDerWaalsContact NE2-OE1 3.1Å; Q672-E676 WeakPolarHBondContact O-CG 3.37Å; Q672-E676 PolarHBondContact O-N 3.44Å; K673-E676 PolarHBondContact O-N 3.13Å; E676-R678 VanDerWaalsContact C-N 3.35Å; E676-R678 PolarHBondContact O-N 2.72Å; E676-A679 PolarHBondContact O-N 3.32Å; E676-A680 PolarHBondContact O-N 3.36Å
677	Q	83.6	Confident	84	Confident	134 Å²	134	79.1 Å²	79.1	63%	0.626	43%	0.43	S	S	*	.	H	α-helix	trans	-63.5	-39.9	175.7	-74.3	173.5	-7	0	0	112.1	K673 Y674 A680 T681	K673-Q677 WeakPolarHBondContact O-CB 3.35Å; K673-Q677 VanDerWaalsContact O-CG 3.3Å; K673-Q677 WeakPolarHBondContact O-CG 3.37Å; K673-Q677 PolarHBondContact O-N 2.88Å; Y674-Q677 PolarHBondContact O-N 3.49Å; Q677-A680 PolarHBondContact O-N 2.61Å; Q677-T681 PolarHBondContact O-N 2.93Å; Q677-T681 PolarHBondContact O-OG1 3.41Å
678	R	79.5	Confident	83.3	Confident	81 Å²	81	84.3 Å²	84.3	31%	0.306	46%	0.458	S	S	.	.	H	α-helix	trans	-66.3	-42.8	175.6	-74.9	177.5	65.9	87.5	-4	112.5	Y674 E675 E676 A680 T681 N682	Y674-R678 HydrophobicContact CE1-CG 4.35Å; Y674-R678 WeakPolarHBondContact O-CG 3.41Å; Y674-R678 PolarHBondContact O-N 3.09Å; E675-R678 PolarHBondContact O-N 2.79Å; E676-R678 VanDerWaalsContact C-N 3.35Å; E676-R678 PolarHBondContact O-N 2.72Å; R678-A680 PolarHBondContact O-N 2.93Å; R678-T681 WeakPolarHBondContact CA-OG1 3.46Å; R678-T681 PolarHBondContact O-N 2.75Å; R678-T681 VanDerWaalsContact O-N 3.13Å; R678-T681 PolarHBondContact O-OG1 3.37Å; R678-N682 PolarHBondContact O-N 3.16Å
679	A	77.1	Confident	82.7	Confident	73 Å²	73	87.1 Å²	87.1	60%	0.603	47%	0.474	S	S	*	.	H	α-helix	trans	-64.5	-24.9	175.5	0	0	0	0	0	112.4	E675 E676	E675-A679 WeakPolarHBondContact O-CB 3.15Å; E675-A679 PolarHBondContact O-N 3.13Å; E676-A679 PolarHBondContact O-N 3.32Å
680	A	75.3	Confident	81.9	Confident	87 Å²	87	89.5 Å²	89.5	72%	0.719	48%	0.48	S	S	*	.	H	α-helix	trans	-83.8	-17	174.1	0	0	0	0	0	114.1	E676 Q677 R678	E676-A680 PolarHBondContact O-N 3.36Å; Q677-A680 PolarHBondContact O-N 2.61Å; R678-A680 PolarHBondContact O-N 2.93Å
681	T	70.4	Confident	81.1	Confident	117 Å²	117	94.9 Å²	94.9	72%	0.718	50%	0.503	S	S	*	.	H	α-helix	trans	-101.9	-21.6	-179.1	24.2	0	0	0	0	114.4	Q677 R678	Q677-T681 PolarHBondContact O-N 2.93Å; Q677-T681 PolarHBondContact O-OG1 3.41Å; R678-T681 WeakPolarHBondContact CA-OG1 3.46Å; R678-T681 PolarHBondContact O-N 2.75Å; R678-T681 VanDerWaalsContact O-N 3.13Å; R678-T681 PolarHBondContact O-OG1 3.37Å
682	N	49.8	Very low	80	Confident	179 Å²	179	102.2 Å²	102.2	96%	0.957	54%	0.543	S	S	*	.			trans	-87.5	0	168.1	-71.7	-25.3	0	0	0	110.7	R678	R678-N682 PolarHBondContact O-N 3.16Å

Retrieved 682 of 682 residues in 1805.6 ms (Link to these results)

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