A0A096NGV3_PAPAN Loading...

Tyrosine-protein kinase

Non-receptor tyrosine-protein kinase that negatively regulates cell proliferation. Positively regulates PTEN protein stability through phosphorylation of PTEN on 'Tyr-336', which in turn prevents its ubiquitination and degradation, possibly by reducing its binding to NEDD4. May function as a tumor suppressor.

AlphaFold DB , UniProt , Accession A0A096NGV3, Species PAPAN (Papio anubis, Olive baboon), Gene FRK, Length 505 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	45.5	Very low	253 Å²	253	117.3 Å²	117.3	100%	1.246	58%	0.578	S	S	*	*				0	75.7	0	-70.7	-179.2	-100.1	0	0	107.2
2	S	34.5	Very low	45.7	Very low	84 Å²	84	110.9 Å²	110.9	59%	0.587	55%	0.547	S	S	*	.			trans	-93.1	159.4	-177.2	45	0	0	0	0	109.8	I4	S2-I4 PolarHBondContact O-N 3.01Å
3	N	44.4	Very low	45.6	Very low	137 Å²	137	111 Å²	111	73%	0.733	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.5	-2.1	-176	-67	-19.3	0	0	0	120.5	Q6	N3-Q6 PolarHBondContact O-N 3.2Å
4	I	40.5	Very low	45.7	Very low	96 Å²	96	109.2 Å²	109.2	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-67.7	-34.4	-175.9	-61.7	163.6	0	0	0	112	S2 Q6	S2-I4 PolarHBondContact O-N 3.01Å; I4-Q6 VanDerWaalsContact C-N 3.34Å; I4-Q6 PolarHBondContact O-N 3.21Å
5	C	47.3	Very low	45.5	Very low	101 Å²	101	112.5 Å²	112.5	68%	0.682	55%	0.552	S	S	*	*	H	α-helix	trans	-75.4	-18.8	175.9	-81	0	0	0	0	113.8	W9	C5-W9 WeakPolarHBondContact O-CB 3.5Å; C5-W9 PolarHBondContact O-N 3.1Å
6	Q	45.4	Very low	45.2	Very low	110 Å²	110	110.3 Å²	110.3	51%	0.514	54%	0.542	S	S	.	.	H	α-helix	trans	-76.7	-41.4	-161.9	-159.2	174.9	-12.3	0	0	113.1	N3 I4 E10	N3-Q6 PolarHBondContact O-N 3.2Å; I4-Q6 VanDerWaalsContact C-N 3.34Å; I4-Q6 PolarHBondContact O-N 3.21Å; Q6-E10 VanDerWaalsContact O-CB 3.27Å; Q6-E10 WeakPolarHBondContact O-CB 3.47Å; Q6-E10 WeakPolarHBondContact O-CG 2.95Å; Q6-E10 PolarHBondContact O-N 2.79Å
7	R	51.3	Low	44.7	Very low	136 Å²	136	109.9 Å²	109.9	51%	0.513	55%	0.55	S	S	.	*	H	α-helix	trans	-70.2	-43	176.8	-93.9	-176.8	163.5	-173.5	-5.3	113	W9 E10 Y11 L298	R7-W9 VanDerWaalsContact C-N 3.3Å; R7-E10 PolarHBondContact O-N 3.13Å; R7-Y11 WeakPolarHBondContact O-CD2 3.2Å; R7-Y11 PolarHBondContact O-N 2.72Å; R7-L298 PolarHBondContact NH1-O 3.2Å
8	L	48	Very low	44.2	Very low	47 Å²	47	110.8 Å²	110.8	25%	0.246	57%	0.567	C	S	.	*	H	α-helix	trans	-66.5	-37.1	177.3	-135	139.7	0	0	0	110.4	L12 E228 T297	L8-L12 HydrophobicContact CD2-CD1 3.57Å; L8-L12 HydrophobicContact CD2-CG 4.49Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.11Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.24Å; L8-E228 HydrophobicContact CD1-CB 3.95Å; L8-E228 VanDerWaalsContact CD1-CD 3.43Å; L8-E228 HydrophobicContact CD1-CG 4.25Å; L8-E228 WeakPolarHBondContact CD1-OE2 3.48Å; L8-T297 HydrophobicContact CD1-CG2 4.17Å; L8-T297 WeakPolarHBondContact CD1-OG1 3.03Å
9	W	50.1	Low	43.6	Very low	141 Å²	141	113.1 Å²	113.1	53%	0.534	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-46.7	169.2	-170.5	-89.2	0	0	0	112	C5 R7 Y11 L12 E13 L16	C5-W9 WeakPolarHBondContact O-CB 3.5Å; C5-W9 PolarHBondContact O-N 3.1Å; R7-W9 VanDerWaalsContact C-N 3.3Å; W9-Y11 VanDerWaalsContact C-N 3.26Å; W9-Y11 PolarHBondContact O-N 2.75Å; W9-L12 CarbonylContact O-C 3.55Å; W9-L12 PolarHBondContact O-N 3.23Å; W9-E13 PolarHBondContact NE1-OE1 3.4Å; W9-E13 WeakPolarHBondContact O-CA 3.45Å; W9-E13 WeakPolarHBondContact O-CB 3.44Å; W9-E13 PolarHBondContact O-N 3.04Å; W9-L16 HydrophobicContact CE3-CD1 4.3Å; W9-L16 HydrophobicContact CH2-CD1 3.82Å; W9-L16 HydrophobicContact CZ2-CD1 4.22Å; W9-L16 HydrophobicContact CZ3-CD1 3.86Å
10	E	55.5	Low	42.9	Very low	106 Å²	106	112.6 Å²	112.6	50%	0.495	59%	0.586	S	S	.	*	H	α-helix	trans	-58.7	-33.5	177.1	-78.6	164.4	-173.3	0	0	112.8	Q6 R7	Q6-E10 VanDerWaalsContact O-CB 3.27Å; Q6-E10 WeakPolarHBondContact O-CB 3.47Å; Q6-E10 WeakPolarHBondContact O-CG 2.95Å; Q6-E10 PolarHBondContact O-N 2.79Å; R7-E10 PolarHBondContact O-N 3.13Å
11	Y	49.3	Very low	42.5	Very low	79 Å²	79	113.8 Å²	113.8	31%	0.31	60%	0.599	S	S	.	*	H	α-helix	trans	-75.6	-28.2	173.4	-76.4	-60.8	0	0	0	113.9	R7 W9 R272	R7-Y11 WeakPolarHBondContact O-CD2 3.2Å; R7-Y11 PolarHBondContact O-N 2.72Å; W9-Y11 VanDerWaalsContact C-N 3.26Å; W9-Y11 PolarHBondContact O-N 2.75Å; Y11-R272 HydrophobicContact CD1-CG 3.71Å; Y11-R272 HydrophobicContact CE1-CG 4.35Å
12	L	47.9	Very low	42.3	Very low	41 Å²	41	110.6 Å²	110.6	22%	0.215	58%	0.581	C	S	.	*	H	α-helix	trans	-106.1	-21.9	-170.1	-65.9	179.8	0	0	0	114.5	L8 W9 P14 Y15 L16	L8-L12 HydrophobicContact CD2-CD1 3.57Å; L8-L12 HydrophobicContact CD2-CG 4.49Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.11Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.24Å; W9-L12 CarbonylContact O-C 3.55Å; W9-L12 PolarHBondContact O-N 3.23Å; L12-P14 VanDerWaalsContact C-N 3.35Å; L12-Y15 PolarHBondContact O-N 2.98Å; L12-L16 PolarHBondContact O-N 2.89Å
13	E	44.2	Very low	42	Very low	112 Å²	112	111.2 Å²	111.2	52%	0.523	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-52.7	-38.2	-177.1	-177.8	172.4	-129.3	0	0	114.1	W9 Y15	W9-E13 PolarHBondContact NE1-OE1 3.4Å; W9-E13 WeakPolarHBondContact O-CA 3.45Å; W9-E13 WeakPolarHBondContact O-CB 3.44Å; W9-E13 PolarHBondContact O-N 3.04Å; E13-Y15 PolarHBondContact O-N 3.23Å; E13-Y15 VanDerWaalsContact O-N 3.13Å
14	P	47.5	Very low	41.3	Very low	86 Å²	86	112.1 Å²	112.1	56%	0.558	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-69.8	-9.5	179	-17.1	30.6	0	0	0	114.8	L12	L12-P14 VanDerWaalsContact C-N 3.35Å
15	Y	41.9	Very low	40.7	Very low	159 Å²	159	116.4 Å²	116.4	62%	0.624	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-129.3	2.8	-170	-56.8	-73.3	0	0	0	114.3	L12 E13	L12-Y15 PolarHBondContact O-N 2.98Å; E13-Y15 PolarHBondContact O-N 3.23Å; E13-Y15 VanDerWaalsContact O-N 3.13Å
16	L	41	Very low	39.7	Very low	77 Å²	77	117 Å²	117	40%	0.403	62%	0.616	S	S	.	*	S	Bend	trans	-70.8	125.1	165.8	-69.9	168.8	0	0	0	108	W9 L12 C18	W9-L16 HydrophobicContact CE3-CD1 4.3Å; W9-L16 HydrophobicContact CH2-CD1 3.82Å; W9-L16 HydrophobicContact CZ2-CD1 4.22Å; W9-L16 HydrophobicContact CZ3-CD1 3.86Å; L12-L16 PolarHBondContact O-N 2.89Å; L16-C18 PolarHBondContact O-N 3.21Å
17	P	36.5	Very low	38.8	Very low	104 Å²	104	118.2 Å²	118.2	68%	0.675	63%	0.631	S	S	*	*			trans	-56.6	134.1	163.8	-10.5	23	0	0	0	107.4	L19	P17-L19 VanDerWaalsContact C-N 3.28Å; P17-L19 PolarHBondContact O-N 3.5Å
18	C	35.7	Very low	38	Very low	126 Å²	126	117.3 Å²	117.3	85%	0.851	64%	0.641	S	S	*	*			trans	-56.3	96.8	168.6	-168.7	0	0	0	0	107.7	L16 S20	L16-C18 PolarHBondContact O-N 3.21Å; C18-S20 VanDerWaalsContact C-N 3.27Å; C18-S20 PolarHBondContact O-N 2.9Å
19	L	33.6	Very low	37.2	Very low	154 Å²	154	122.9 Å²	122.9	81%	0.806	67%	0.669	S	S	*	*			trans	-78	87.8	170.5	-80.9	163.2	0	0	0	106.1	P17 T21	P17-L19 VanDerWaalsContact C-N 3.28Å; P17-L19 PolarHBondContact O-N 3.5Å; L19-T21 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact O-N 3.09Å
20	S	30.1	Very low	36.3	Very low	102 Å²	102	124.1 Å²	124.1	71%	0.713	68%	0.68	S	S	*	*			trans	-59.6	109.4	157.9	50.9	0	0	0	0	107.4	C18 E22	C18-S20 VanDerWaalsContact C-N 3.27Å; C18-S20 PolarHBondContact O-N 2.9Å; S20-E22 PolarHBondContact O-N 2.88Å; S20-E22 VanDerWaalsContact O-N 3.09Å
21	T	34.2	Very low	35.1	Very low	138 Å²	138	126.3 Å²	126.3	85%	0.847	70%	0.696	S	S	*	*			trans	-68	99.7	168.2	46.7	0	0	0	0	109	L19	L19-T21 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact O-N 3.09Å
22	E	28.8	Very low	34.4	Very low	186 Å²	186	128.6 Å²	128.6	87%	0.869	72%	0.72	S	S	*	*			trans	-109.9	114.7	146.5	-78.9	-170.2	161.1	0	0	107.2	S20 D24	S20-E22 PolarHBondContact O-N 2.88Å; S20-E22 VanDerWaalsContact O-N 3.09Å; E22-D24 PolarHBondContact O-N 2.82Å; E22-D24 VanDerWaalsContact O-N 3.11Å
23	A	30	Very low	33.8	Very low	97 Å²	97	130.2 Å²	130.2	80%	0.802	75%	0.747	S	S	*	*			trans	-68.3	104.6	174.9	0	0	0	0	0	108.2	K25	A23-K25 PolarHBondContact O-N 3.46Å
24	D	28.1	Very low	33.1	Very low	157 Å²	157	129.3 Å²	129.3	84%	0.84	76%	0.758	S	S	*	*			trans	-70.2	111.8	171.8	-149.9	0.2	0	0	0	108.2	E22 S26	E22-D24 PolarHBondContact O-N 2.82Å; E22-D24 VanDerWaalsContact O-N 3.11Å; D24-S26 PolarHBondContact O-N 2.85Å; D24-S26 VanDerWaalsContact O-N 3.16Å
25	K	29.1	Very low	32.4	Very low	186 Å²	186	135 Å²	135	81%	0.809	78%	0.777	S	S	*	*			trans	-70.6	108.4	176.9	-75.6	178.8	178.2	176.2	0	107.4	A23 T27	A23-K25 PolarHBondContact O-N 3.46Å; K25-T27 PolarHBondContact O-N 3.13Å
26	S	26.5	Very low	31.8	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	79%	0.788	S	S	*	*			trans	-60.4	111.1	168.1	-50.6	0	0	0	0	109.5	D24 V28	D24-S26 PolarHBondContact O-N 2.85Å; D24-S26 VanDerWaalsContact O-N 3.16Å; S26-V28 PolarHBondContact O-N 3.06Å; S26-V28 VanDerWaalsContact O-N 3.12Å
27	T	26.6	Very low	31.3	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	81%	0.807	S	S	*	*			trans	-66	106.7	169.3	-24.8	0	0	0	0	107.9	K25 I29	K25-T27 PolarHBondContact O-N 3.13Å; T27-I29 PolarHBondContact O-N 2.83Å
28	V	32.9	Very low	31.5	Very low	118 Å²	118	136.1 Å²	136.1	72%	0.715	81%	0.813	S	S	*	*			trans	-70.6	119.5	171.6	177.6	0	0	0	0	107.8	S26 E30	S26-V28 PolarHBondContact O-N 3.06Å; S26-V28 VanDerWaalsContact O-N 3.12Å; V28-E30 HydrophobicContact CG1-CG 4.47Å; V28-E30 PolarHBondContact O-N 3.45Å
29	I	31	Very low	31.2	Very low	164 Å²	164	138.9 Å²	138.9	84%	0.841	81%	0.813	S	S	*	*			trans	-81.1	105.6	164	-59.6	176.2	0	0	0	106.3	T27	T27-I29 PolarHBondContact O-N 2.83Å
30	E	32.9	Very low	31.4	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	81%	0.811	S	S	*	*			trans	-66.6	138.7	174.5	-70.7	-174.6	161.9	0	0	111.1	V28 P32	V28-E30 HydrophobicContact CG1-CG 4.47Å; V28-E30 PolarHBondContact O-N 3.45Å; E30-P32 WeakPolarHBondContact O-CD 3.17Å
31	N	29.5	Very low	31.4	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	81%	0.813	S	S	*	*			trans	-95.1	106.1	169.3	-165.2	1.8	0	0	0	108.1	G33	N31-G33 PolarHBondContact O-N 2.92Å
32	P	34.1	Very low	31.6	Very low	126 Å²	126	145.2 Å²	145.2	82%	0.818	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	88	-175.2	31.2	-31.3	0	0	0	109.4	E30	E30-P32 WeakPolarHBondContact O-CD 3.17Å
33	G	35.6	Very low	32.4	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	179	6.1	177.8	0	0	0	0	0	118.9	N31	N31-G33 PolarHBondContact O-N 2.92Å
34	A	30.2	Very low	33.8	Very low	93 Å²	93	139.7 Å²	139.7	77%	0.769	78%	0.783	S	S	*	*			trans	-132.3	74.3	178.6	0	0	0	0	0	111.6	C36	A34-C36 PolarHBondContact O-N 2.85Å
35	H	32	Very low	36.6	Very low	205 Å²	205	137.9 Å²	137.9	95%	0.949	77%	0.769	S	S	*	*			trans	-72.5	108.7	156.7	-82.5	-59.3	0	0	0	108.7
36	C	29.5	Very low	39.7	Very low	128 Å²	128	134.2 Å²	134.2	87%	0.865	75%	0.751	S	S	*	*			trans	-132	125.5	156.2	-128.1	0	0	0	0	109.3	A34	A34-C36 PolarHBondContact O-N 2.85Å
37	S	30.9	Very low	42.9	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	72%	0.718	S	S	*	*			trans	-61.8	148.6	-170.9	-36.1	0	0	0	0	112.9	Q39	S37-Q39 PolarHBondContact O-N 2.9Å
38	P	40.2	Very low	46.2	Very low	125 Å²	125	124.2 Å²	124.2	81%	0.812	68%	0.683	S	S	*	*			trans	-84.1	102.4	175.8	31.7	-28.3	0	0	0	110
39	Q	30.5	Very low	49.1	Very low	184 Å²	184	118.7 Å²	118.7	86%	0.86	65%	0.65	S	S	*	*			trans	-160.7	108.5	158.8	-108.7	163.9	33.1	0	0	112.9	S37	S37-Q39 PolarHBondContact O-N 2.9Å
40	S	36.1	Very low	51.9	Low	108 Å²	108	112.6 Å²	112.6	76%	0.755	62%	0.619	S	S	*	*			trans	43.5	101	148.7	66.9	0	0	0	0	120.7
41	Q	30	Very low	54.8	Low	161 Å²	161	105.9 Å²	105.9	75%	0.752	59%	0.587	S	S	*	*			trans	-143.8	111.3	133.3	-71.8	-164.9	-3.3	0	0	109.8	H43	Q41-H43 PolarHBondContact O-N 2.9Å; Q41-H43 VanDerWaalsContact O-N 3.07Å; Q41-H43 PolarHBondContact OE1-CE1 2.96Å; Q41-H43 VanDerWaalsContact OE1-CE1 3.31Å
42	R	38.3	Very low	57.7	Low	258 Å²	258	103.4 Å²	103.4	97%	0.974	57%	0.574	S	S	*	*			trans	-74	89.1	169	-77.2	-179.2	174.8	174.4	-1.8	108.5
43	H	46.9	Very low	60.5	Low	143 Å²	143	97.9 Å²	97.9	66%	0.662	54%	0.536	S	S	*	.			trans	-79.3	115	159.9	-72.5	-11.3	0	0	0	107.5	Q41	Q41-H43 PolarHBondContact O-N 2.9Å; Q41-H43 VanDerWaalsContact O-N 3.07Å; Q41-H43 PolarHBondContact OE1-CE1 2.96Å; Q41-H43 VanDerWaalsContact OE1-CE1 3.31Å
44	G	59.8	Low	63.3	Low	24 Å²	24	101.7 Å²	101.7	25%	0.247	53%	0.534	C	S	.	.			trans	-64.5	134.6	173	0	0	0	0	0	109.6	Y46	G44-Y46 WeakPolarHBondContact O-CD2 3.31Å; G44-Y46 VanDerWaalsContact O-CE2 3.28Å; G44-Y46 WeakPolarHBondContact O-CE2 3.26Å; G44-Y46 PolarHBondContact O-N 2.98Å
45	H	86.3	Confident	66.2	Low	119 Å²	119	98.5 Å²	98.5	55%	0.551	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	106.8	171.5	-63.2	-86.6	0	0	0	108.6	F47 V71	H45-F47 HydrophobicContact CB-CD2 4.46Å; H45-F47 HydrophobicContact CB-CE2 3.75Å; H45-V71 PolarHBondContact O-N 3.27Å
46	Y	93.7	Very high	69.1	Low	108 Å²	108	91 Å²	91	42%	0.424	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.2	-176.8	-64.8	-70.6	0	0	0	110.4	G44 L69 Q70 L85 D108	G44-Y46 WeakPolarHBondContact O-CD2 3.31Å; G44-Y46 VanDerWaalsContact O-CE2 3.28Å; G44-Y46 WeakPolarHBondContact O-CE2 3.26Å; G44-Y46 PolarHBondContact O-N 2.98Å; Y46-L69 WeakPolarHBondContact CA-O 3.45Å; Y46-Q70 HydrophobicContact CD1-CB 4.27Å; Y46-Q70 HydrophobicContact CE1-CB 4.21Å; Y46-Q70 HydrophobicContact CE1-CG 4.27Å; Y46-L85 HydrophobicContact CD1-CD1 3.49Å; Y46-L85 VanDerWaalsContact CD1-CD1 3.49Å; Y46-L85 HydrophobicContact CE1-CD1 3.7Å; Y46-L85 HydrophobicContact CE1-CD2 4.33Å; Y46-D108 WeakPolarHBondContact O-CB 3.35Å; Y46-D108 PolarHBondContact O-N 3.11Å
47	F	95	Very high	72	Confident	22 Å²	22	86.1 Å²	86.1	10%	0.096	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.3	-175.3	-72.8	-101.1	0	0	0	111.2	H45 L69 V71 W80 V105 A106 E107	H45-F47 HydrophobicContact CB-CD2 4.46Å; H45-F47 HydrophobicContact CB-CE2 3.75Å; F47-L69 PolarHBondContact N-O 2.8Å; F47-L69 PolarHBondContact O-N 3.42Å; F47-V71 HydrophobicContact CD2-CB 3.88Å; F47-V71 HydrophobicContact CD2-CG2 3.29Å; F47-V71 HydrophobicContact CE2-CB 3.76Å; F47-V71 HydrophobicContact CE2-CG2 3.52Å; F47-V71 HydrophobicContact CG-CG2 3.96Å; F47-V71 HydrophobicContact CZ-CG2 4.39Å; F47-W80 HydrophobicContact CD1-CZ3 4.25Å; F47-W80 HydrophobicContact CE1-CH2 4.25Å; F47-W80 AromaticContact CE1-CZ3 3.63Å; F47-W80 HydrophobicContact CE1-CZ3 3.63Å; F47-W80 HydrophobicContact CE2-CZ3 4.48Å; F47-W80 HydrophobicContact CZ-CH2 4.33Å; F47-W80 AromaticContact CZ-CZ3 3.76Å; F47-W80 HydrophobicContact CZ-CZ3 3.76Å; F47-V105 HydrophobicContact CB-CB 4.07Å; F47-V105 HydrophobicContact CB-CG2 4.45Å; F47-V105 HydrophobicContact CD1-CB 4.09Å; F47-V105 HydrophobicContact CD1-CG2 3.83Å; F47-V105 HydrophobicContact CE1-CG2 4.48Å; F47-V105 HydrophobicContact CG-CB 4.44Å; F47-V105 HydrophobicContact CG-CG2 4.33Å; F47-A106 CarbonylContact C-O 3.46Å; F47-A106 WeakPolarHBondContact CA-O 3.31Å; F47-A106 WeakPolarHBondContact CB-O 3.31Å; F47-A106 WeakPolarHBondContact CD1-O 3.46Å; F47-E107 HydrophobicContact CD1-CB 4.4Å; F47-E107 VanDerWaalsContact CD1-N 3.34Å; F47-E107 HydrophobicContact CE1-CB 4.07Å
48	V	93.9	Very high	74.9	Confident	16 Å²	16	84.6 Å²	84.6	10%	0.097	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.1	171.8	-167.8	0	0	0	0	108.8	L50 K68 V105 A106 D108 A113	V48-L50 PolarHBondContact O-N 3.33Å; V48-K68 HydrophobicContact CG2-CD 3.85Å; V48-V105 VanDerWaalsContact O-CA 3.31Å; V48-V105 WeakPolarHBondContact O-CA 3.47Å; V48-A106 PolarHBondContact N-O 3.22Å; V48-A106 PolarHBondContact O-N 2.96Å; V48-D108 HydrophobicContact CG2-CB 4.2Å; V48-D108 WeakPolarHBondContact CG2-OD1 3.24Å; V48-A113 HydrophobicContact CB-CB 4.4Å; V48-A113 HydrophobicContact CG2-CB 4.14Å
49	A	93.9	Very high	77.4	Confident	3 Å²	3	81.7 Å²	81.7	3%	0.025	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.1	169.7	0	0	0	0	0	111	F63 R64 A65 G66 D67 L69	A49-F63 HydrophobicContact CB-CD2 3.38Å; A49-F63 HydrophobicContact CB-CE2 3.73Å; A49-F63 HydrophobicContact CB-CG 4.35Å; A49-R64 VanDerWaalsContact CB-O 3.23Å; A49-R64 WeakPolarHBondContact CB-O 3.45Å; A49-A65 WeakPolarHBondContact O-CA 3.48Å; A49-G66 PolarHBondContact O-N 3.06Å; A49-D67 HydrophobicContact CB-CB 4.42Å; A49-D67 PolarHBondContact N-O 3.31Å; A49-L69 HydrophobicContact CB-CD1 4.49Å
50	L	91.5	Very high	80.4	Confident	36 Å²	36	73 Å²	73	19%	0.188	37%	0.367	C	S	.	.	S	Bend	trans	-86.6	-26.9	176.9	-59.8	-179	0	0	0	112.4	V48 Y104 A106 Q112	V48-L50 PolarHBondContact O-N 3.33Å; L50-Y104 WeakPolarHBondContact CB-O 3.45Å; L50-Y104 PolarHBondContact N-O 2.8Å; L50-A106 HydrophobicContact CD1-CB 4.03Å; L50-A106 HydrophobicContact CD2-CB 3.83Å; L50-A106 HydrophobicContact CG-CB 4.1Å; L50-Q112 WeakPolarHBondContact CD2-O 3.44Å
51	F	92	Very high	83.2	Confident	25 Å²	25	68 Å²	68	11%	0.11	33%	0.332	C	S	.	.	S	Bend	trans	-137.2	159.8	-176.2	-51.4	-85.7	0	0	0	110.3	F63 Y104 K210 V213 P214	F51-F63 VanDerWaalsContact O-CE2 3.31Å; F51-F63 WeakPolarHBondContact O-CE2 3.44Å; F51-Y104 HydrophobicContact CB-CD1 3.8Å; F51-Y104 HydrophobicContact CB-CE1 4.08Å; F51-Y104 HydrophobicContact CB-CG 4.47Å; F51-Y104 HydrophobicContact CD2-CD1 4.47Å; F51-Y104 HydrophobicContact CD2-CG 4.35Å; F51-K210 HydrophobicContact CD1-CB 4.41Å; F51-K210 HydrophobicContact CE1-CB 3.88Å; F51-K210 HydrophobicContact CE1-CD 4.18Å; F51-K210 HydrophobicContact CZ-CD 4.32Å; F51-V213 HydrophobicContact CB-CG1 4.16Å; F51-V213 HydrophobicContact CD1-CB 4.35Å; F51-V213 HydrophobicContact CD1-CG1 4.21Å; F51-V213 HydrophobicContact CD1-CG2 4.08Å; F51-V213 HydrophobicContact CG-CG1 4.21Å; F51-P214 HydrophobicContact CD2-CG 4Å; F51-P214 HydrophobicContact CE2-CG 3.61Å; F51-P214 HydrophobicContact CZ-CG 4.01Å
52	D	92.1	Very high	86.2	Confident	100 Å²	100	62.4 Å²	62.4	54%	0.535	31%	0.31	S	S	.	.			trans	-70.6	139.6	168.3	-72.5	0.8	0	0	0	109.9	R64 A65 Y104	D52-R64 WeakPolarHBondContact OD1-CA 3.48Å; D52-R64 WeakPolarHBondContact OD1-CB 3.45Å; D52-A65 PolarHBondContact OD1-N 3.03Å; D52-Y104 WeakPolarHBondContact O-CE1 3.21Å
53	Y	93.3	Very high	88.9	Confident	10 Å²	10	50.4 Å²	50.4	4%	0.039	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-136.8	125.5	174.2	177.7	-103.3	0	0	0	110.4	D60 L61 S62 F63 W79 P101 Y104	Y53-D60 HydrophobicContact CE1-CB 4.11Å; Y53-D60 VanDerWaalsContact OH-CG 3.29Å; Y53-D60 PolarHBondContact OH-OD2 2.77Å; Y53-L61 VanDerWaalsContact CD1-O 3.26Å; Y53-L61 WeakPolarHBondContact CD1-O 3.28Å; Y53-S62 VanDerWaalsContact O-CA 3.31Å; Y53-S62 WeakPolarHBondContact O-CA 3.48Å; Y53-F63 HydrophobicContact CD1-CD1 4.07Å; Y53-F63 AromaticContact CD1-CE1 3.54Å; Y53-F63 HydrophobicContact CD1-CE1 3.54Å; Y53-F63 HydrophobicContact CD1-CZ 4.1Å; Y53-F63 AromaticContact CG-CE1 3.85Å; Y53-F63 HydrophobicContact CG-CE1 3.85Å; Y53-F63 AromaticContact CG-CZ 3.92Å; Y53-F63 HydrophobicContact CG-CZ 3.92Å; Y53-F63 PolarHBondContact N-O 3.13Å; Y53-F63 PolarHBondContact O-N 2.9Å; Y53-F63 VanDerWaalsContact O-O 3.06Å; Y53-W79 HydrophobicContact CE2-CH2 4.47Å; Y53-W79 VanDerWaalsContact OH-CH2 3.31Å; Y53-W79 WeakPolarHBondContact OH-CH2 3.21Å; Y53-W79 WeakPolarHBondContact OH-CZ3 3.23Å; Y53-P101 HydrophobicContact CD2-CG 3.66Å; Y53-P101 HydrophobicContact CE1-CG 4.46Å; Y53-P101 HydrophobicContact CE2-CG 3.49Å; Y53-P101 VanDerWaalsContact CE2-CG 3.49Å; Y53-P101 HydrophobicContact CG-CG 4.25Å; Y53-Y104 HydrophobicContact CD2-CD1 4.27Å; Y53-Y104 AromaticContact CD2-CE1 3.98Å; Y53-Y104 HydrophobicContact CD2-CE1 3.98Å; Y53-Y104 HydrophobicContact CG-CD1 4.4Å; Y53-Y104 HydrophobicContact CG-CE1 4.46Å
54	Q	92.8	Very high	91	Very high	155 Å²	155	50.8 Å²	50.8	72%	0.724	26%	0.26	S	S	*	.			trans	-101.6	128.6	173.4	-173.7	171.9	3.3	0	0	109	R56	Q54-R56 PolarHBondContact O-N 2.64Å
55	A	92.3	Very high	92.5	Very high	26 Å²	26	52.2 Å²	52.2	22%	0.215	27%	0.27	C	S	.	.			trans	-53.6	133.7	176.6	0	0	0	0	0	111	D60 S62	A55-D60 HydrophobicContact CB-CB 3.64Å; A55-S62 WeakPolarHBondContact CB-OG 3.38Å; A55-S62 PolarHBondContact N-OG 2.8Å
56	R	92.2	Very high	92.7	Very high	48 Å²	48	48.8 Å²	48.8	18%	0.181	27%	0.267	C	S	.	.	S	Bend	trans	-106.8	-19.8	179	-58	167.5	178.8	-174.6	-4	111.7	Q54 D60 W253 T257	Q54-R56 PolarHBondContact O-N 2.64Å; R56-D60 WeakPolarHBondContact CA-OD2 3.48Å; R56-D60 WeakPolarHBondContact CB-OD2 3.48Å; R56-D60 PolarHBondContact N-OD2 2.74Å; R56-W253 HydrophobicContact CB-CH2 4.42Å; R56-W253 HydrophobicContact CB-CZ3 3.73Å; R56-T257 VanDerWaalsContact CD-OG1 3.29Å; R56-T257 WeakPolarHBondContact CD-OG1 3.25Å
57	T	91.1	Very high	92.6	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.16	25%	0.251	C	S	.	.	S	Bend	trans	-124.9	170.2	173.2	77.6	0	0	0	0	110.6	E59 D60 W253	T57-E59 WeakPolarHBondContact CB-OE2 3.36Å; T57-E59 PolarHBondContact O-N 2.7Å; T57-E59 PolarHBondContact OG1-N 2.95Å; T57-E59 PolarHBondContact OG1-OE2 3.39Å; T57-D60 PolarHBondContact N-OD2 2.79Å; T57-D60 PolarHBondContact O-N 2.92Å; T57-D60 PolarHBondContact OG1-N 2.83Å; T57-D60 PolarHBondContact OG1-OD1 3.34Å; T57-D60 PolarHBondContact OG1-OD2 3.04Å; T57-W253 HydrophobicContact CG2-CH2 3.53Å; T57-W253 HydrophobicContact CG2-CZ2 4.17Å; T57-W253 HydrophobicContact CG2-CZ3 4.43Å
58	A	90.6	Very high	92.6	Very high	79 Å²	79	46.3 Å²	46.3	65%	0.653	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.7	174.7	0	0	0	0	0	112.5	Q95	A58-Q95 PolarHBondContact O-NE2 3.36Å; A58-Q95 PolarHBondContact O-OE1 3.42Å
59	E	92.9	Very high	92.6	Very high	65 Å²	65	45.5 Å²	45.5	30%	0.304	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.3	179.6	-60.3	92.7	152.3	0	0	112.8	T57 G98 Y99 Y221 K222	T57-E59 WeakPolarHBondContact CB-OE2 3.36Å; T57-E59 PolarHBondContact O-N 2.7Å; T57-E59 PolarHBondContact OG1-N 2.95Å; T57-E59 PolarHBondContact OG1-OE2 3.39Å; E59-G98 CarbonylContact O-C 3.56Å; E59-G98 WeakPolarHBondContact O-CA 3.34Å; E59-Y99 HydrophobicContact CB-CD2 4.12Å; E59-Y99 PolarHBondContact O-N 3.23Å; E59-Y221 HydrophobicContact CB-CE1 3.97Å; E59-Y221 HydrophobicContact CG-CE1 4.4Å; E59-K222 IonicContact OE1-NZ 2.69Å; E59-K222 PolarHBondContact OE1-NZ 3.18Å
60	D	93.8	Very high	92.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.011	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-78.4	148.3	179.2	-61.9	-12.6	0	0	0	111.7	Y53 A55 R56 T57 Y99	Y53-D60 HydrophobicContact CE1-CB 4.11Å; Y53-D60 VanDerWaalsContact OH-CG 3.29Å; Y53-D60 PolarHBondContact OH-OD2 2.77Å; A55-D60 HydrophobicContact CB-CB 3.64Å; R56-D60 WeakPolarHBondContact CA-OD2 3.48Å; R56-D60 WeakPolarHBondContact CB-OD2 3.48Å; R56-D60 PolarHBondContact N-OD2 2.74Å; T57-D60 PolarHBondContact N-OD2 2.79Å; T57-D60 PolarHBondContact O-N 2.92Å; T57-D60 PolarHBondContact OG1-N 2.83Å; T57-D60 PolarHBondContact OG1-OD1 3.34Å; T57-D60 PolarHBondContact OG1-OD2 3.04Å; D60-Y99 CarbonylContact C-O 3.59Å; D60-Y99 WeakPolarHBondContact CA-O 3.09Å
61	L	94.4	Very high	92.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-101	117.4	173	177	63.7	0	0	0	109.9	Y53 F63 L69 A82 Q95 Y99 I100	Y53-L61 VanDerWaalsContact CD1-O 3.26Å; Y53-L61 WeakPolarHBondContact CD1-O 3.28Å; L61-F63 VanDerWaalsContact O-CD1 3.24Å; L61-F63 WeakPolarHBondContact O-CD1 3.4Å; L61-L69 HydrophobicContact CD2-CD2 4.19Å; L61-A82 HydrophobicContact CD2-CB 4.45Å; L61-Q95 WeakPolarHBondContact CD1-O 3.47Å; L61-Y99 PolarHBondContact N-O 3.36Å; L61-I100 HydrophobicContact CB-CG2 3.78Å; L61-I100 HydrophobicContact CD2-CG2 4.11Å; L61-I100 HydrophobicContact CG-CG2 4.28Å
62	S	94.1	Very high	92.9	Very high	43 Å²	43	48.7 Å²	48.7	30%	0.301	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-75.1	141.5	171	-59.9	0	0	0	0	111.5	Y53 A55	Y53-S62 VanDerWaalsContact O-CA 3.31Å; Y53-S62 WeakPolarHBondContact O-CA 3.48Å; A55-S62 WeakPolarHBondContact CB-OG 3.38Å; A55-S62 PolarHBondContact N-OG 2.8Å
63	F	93.5	Very high	93	Very high	6 Å²	6	47 Å²	47	3%	0.026	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-152.4	165.1	176.5	55.3	-94.1	0	0	0	111.2	A49 F51 Y53 L61 D67 L69 I100 Y104	A49-F63 HydrophobicContact CB-CD2 3.38Å; A49-F63 HydrophobicContact CB-CE2 3.73Å; A49-F63 HydrophobicContact CB-CG 4.35Å; F51-F63 VanDerWaalsContact O-CE2 3.31Å; F51-F63 WeakPolarHBondContact O-CE2 3.44Å; Y53-F63 HydrophobicContact CD1-CD1 4.07Å; Y53-F63 AromaticContact CD1-CE1 3.54Å; Y53-F63 HydrophobicContact CD1-CE1 3.54Å; Y53-F63 HydrophobicContact CD1-CZ 4.1Å; Y53-F63 AromaticContact CG-CE1 3.85Å; Y53-F63 HydrophobicContact CG-CE1 3.85Å; Y53-F63 AromaticContact CG-CZ 3.92Å; Y53-F63 HydrophobicContact CG-CZ 3.92Å; Y53-F63 PolarHBondContact N-O 3.13Å; Y53-F63 PolarHBondContact O-N 2.9Å; Y53-F63 VanDerWaalsContact O-O 3.06Å; L61-F63 VanDerWaalsContact O-CD1 3.24Å; L61-F63 WeakPolarHBondContact O-CD1 3.4Å; F63-D67 HydrophobicContact CB-CB 4.32Å; F63-L69 HydrophobicContact CD1-CD1 4.2Å; F63-L69 HydrophobicContact CD2-CD1 4.48Å; F63-L69 HydrophobicContact CG-CD1 4.19Å; F63-I100 HydrophobicContact CD1-CG2 3.82Å; F63-I100 HydrophobicContact CE1-CB 3.69Å; F63-I100 HydrophobicContact CE1-CG2 3.45Å; F63-I100 VanDerWaalsContact CE1-CG2 3.45Å; F63-I100 HydrophobicContact CZ-CB 4.38Å; F63-Y104 HydrophobicContact CE2-CD1 4.29Å; F63-Y104 HydrophobicContact CZ-CD1 4.2Å; F63-Y104 HydrophobicContact CZ-CG 4.38Å
64	R	92.6	Very high	93	Very high	150 Å²	150	50.6 Å²	50.6	57%	0.566	29%	0.285	S	S	*	.			trans	-112.4	154.3	173	-66.9	-175.4	-176.7	-168.3	-1.2	110.6	A49 D52 G66 D67 R88	A49-R64 VanDerWaalsContact CB-O 3.23Å; A49-R64 WeakPolarHBondContact CB-O 3.45Å; D52-R64 WeakPolarHBondContact OD1-CA 3.48Å; D52-R64 WeakPolarHBondContact OD1-CB 3.45Å; R64-G66 PolarHBondContact O-N 2.94Å; R64-D67 PolarHBondContact N-OD2 3.18Å; R64-D67 WeakPolarHBondContact O-CB 3.11Å; R64-D67 VanDerWaalsContact O-CG 3.27Å; R64-D67 PolarHBondContact O-N 2.69Å; R64-R88 VanDerWaalsContact CD-NH2 3.34Å; R64-R88 VanDerWaalsContact CG-NH2 3.27Å
65	A	90.6	Very high	92.8	Very high	54 Å²	54	47.1 Å²	47.1	45%	0.446	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	131.2	171.6	0	0	0	0	0	110.3	A49 D52	A49-A65 WeakPolarHBondContact O-CA 3.48Å; D52-A65 PolarHBondContact OD1-N 3.03Å
66	G	89.9	Confident	92.6	Very high	47 Å²	47	48.2 Å²	48.2	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-17.2	-174.7	0	0	0	0	0	115.2	A49 R64	A49-G66 PolarHBondContact O-N 3.06Å; R64-G66 PolarHBondContact O-N 2.94Å
67	D	92.8	Very high	92.2	Very high	17 Å²	17	51.7 Å²	51.7	9%	0.091	30%	0.297	C	S	.	.			trans	-60.1	141.3	176.3	-72.9	-16.6	0	0	0	110.4	A49 F63 R64 H84 R88	A49-D67 HydrophobicContact CB-CB 4.42Å; A49-D67 PolarHBondContact N-O 3.31Å; F63-D67 HydrophobicContact CB-CB 4.32Å; R64-D67 PolarHBondContact N-OD2 3.18Å; R64-D67 WeakPolarHBondContact O-CB 3.11Å; R64-D67 VanDerWaalsContact O-CG 3.27Å; R64-D67 PolarHBondContact O-N 2.69Å; D67-H84 WeakPolarHBondContact CB-NE2 3.44Å; D67-H84 VanDerWaalsContact CG-NE2 3.28Å; D67-H84 IonicContact OD1-NE2 3.82Å; D67-H84 IonicContact OD2-NE2 3.24Å; D67-H84 PolarHBondContact OD2-NE2 3.28Å; D67-R88 IonicContact OD1-NH2 3.13Å; D67-R88 PolarHBondContact OD1-NH2 2.77Å; D67-R88 VanDerWaalsContact OD1-NH2 3.13Å; D67-R88 IonicContact OD2-CZ 3.81Å; D67-R88 IonicContact OD2-NH2 2.79Å; D67-R88 PolarHBondContact OD2-NH2 2.83Å
68	K	93.4	Very high	92.1	Very high	61 Å²	61	50.9 Å²	50.9	27%	0.265	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.1	178.8	-64	-69	-176.1	166.5	0	111.1	V48 L85 D108	V48-K68 HydrophobicContact CG2-CD 3.85Å; K68-L85 HydrophobicContact CB-CB 4.32Å; K68-L85 HydrophobicContact CB-CD1 4.15Å; K68-L85 WeakPolarHBondContact O-CB 3.29Å; K68-L85 PolarHBondContact O-N 2.86Å; K68-D108 IonicContact NZ-OD1 2.64Å; K68-D108 PolarHBondContact NZ-OD1 2.99Å; K68-D108 IonicContact NZ-OD2 3.03Å; K68-D108 PolarHBondContact NZ-OD2 3.19Å
69	L	94.6	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.5	-173.7	-57.1	173.1	0	0	0	110.2	Y46 F47 A49 L61 F63 R83 H84 I100 V105	Y46-L69 WeakPolarHBondContact CA-O 3.45Å; F47-L69 PolarHBondContact N-O 2.8Å; F47-L69 PolarHBondContact O-N 3.42Å; A49-L69 HydrophobicContact CB-CD1 4.49Å; L61-L69 HydrophobicContact CD2-CD2 4.19Å; F63-L69 HydrophobicContact CD1-CD1 4.2Å; F63-L69 HydrophobicContact CD2-CD1 4.48Å; F63-L69 HydrophobicContact CG-CD1 4.19Å; L69-R83 WeakPolarHBondContact CA-O 3.3Å; L69-H84 HydrophobicContact CD2-CB 4.32Å; L69-I100 HydrophobicContact CD1-CD1 3.94Å; L69-V105 HydrophobicContact CD1-CG1 3.75Å
70	Q	95.2	Very high	92.3	Very high	43 Å²	43	46.8 Å²	46.8	20%	0.201	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.4	166.5	179.7	-178	26.3	0	0	108.4	Y46 L72 A82 R83 L85	Y46-Q70 HydrophobicContact CD1-CB 4.27Å; Y46-Q70 HydrophobicContact CE1-CB 4.21Å; Y46-Q70 HydrophobicContact CE1-CG 4.27Å; Q70-L72 HydrophobicContact CG-CD2 3.92Å; Q70-A82 CarbonylContact O-C 3.55Å; Q70-A82 VanDerWaalsContact O-CA 3.26Å; Q70-A82 WeakPolarHBondContact O-CA 3.38Å; Q70-R83 PolarHBondContact N-O 2.95Å; Q70-R83 PolarHBondContact O-N 2.85Å; Q70-L85 HydrophobicContact CB-CD1 4.32Å; Q70-L85 HydrophobicContact CB-CD2 3.93Å; Q70-L85 HydrophobicContact CB-CG 4.28Å
71	V	95.1	Very high	92.4	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.1	174.7	174.3	0	0	0	0	108.7	H45 F47 T74 W80 A82	H45-V71 PolarHBondContact O-N 3.27Å; F47-V71 HydrophobicContact CD2-CB 3.88Å; F47-V71 HydrophobicContact CD2-CG2 3.29Å; F47-V71 HydrophobicContact CE2-CB 3.76Å; F47-V71 HydrophobicContact CE2-CG2 3.52Å; F47-V71 HydrophobicContact CG-CG2 3.96Å; F47-V71 HydrophobicContact CZ-CG2 4.39Å; V71-T74 HydrophobicContact CG1-CG2 3.53Å; V71-W80 HydrophobicContact CG1-CB 4.15Å; V71-W80 HydrophobicContact CG1-CD2 4.44Å; V71-W80 HydrophobicContact CG1-CE3 4.23Å; V71-W80 HydrophobicContact CG1-CG 4.47Å; V71-W80 HydrophobicContact CG2-CE3 3.98Å; V71-A82 HydrophobicContact CG2-CB 4.43Å
72	L	94.5	Very high	92.5	Very high	77 Å²	77	49.6 Å²	49.6	40%	0.403	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-30.7	-174.3	-58.5	177	0	0	0	112.1	Q70 F81 R83	Q70-L72 HydrophobicContact CG-CD2 3.92Å; L72-F81 HydrophobicContact CB-CD1 4.28Å; L72-F81 HydrophobicContact CD1-CD1 4.17Å; L72-F81 HydrophobicContact CD1-CE1 4.31Å; L72-F81 PolarHBondContact N-O 3.28Å; L72-R83 HydrophobicContact CD1-CB 4.03Å
73	D	93.2	Very high	92.5	Very high	65 Å²	65	52.5 Å²	52.5	35%	0.348	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.3	177.5	-171	4.8	0	0	0	110.8	S75 W80 F81	D73-S75 WeakPolarHBondContact OD1-CB 3.39Å; D73-S75 PolarHBondContact OD1-N 2.85Å; D73-S75 PolarHBondContact OD1-OG 2.92Å; D73-S75 PolarHBondContact OD2-OG 3.33Å; D73-W80 CarbonylContact O-C 3.6Å; D73-W80 WeakPolarHBondContact O-CA 3.3Å; D73-W80 WeakPolarHBondContact O-CB 3.31Å; D73-F81 HydrophobicContact CB-CB 3.89Å; D73-F81 PolarHBondContact N-O 2.87Å; D73-F81 PolarHBondContact O-N 2.96Å
74	T	93.3	Very high	92.4	Very high	84 Å²	84	53.3 Å²	53.3	52%	0.515	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	16.3	177.3	63.3	0	0	0	0	112.4	V71 H76 W80	V71-T74 HydrophobicContact CG1-CG2 3.53Å; T74-H76 VanDerWaalsContact C-N 3.31Å; T74-H76 PolarHBondContact O-N 3.19Å; T74-W80 HydrophobicContact CG2-CD2 3.87Å; T74-W80 HydrophobicContact CG2-CE3 4.46Å; T74-W80 HydrophobicContact CG2-CG 3.97Å; T74-W80 HydrophobicContact CG2-CZ2 4.4Å
75	S	89.4	Confident	92.1	Very high	82 Å²	82	49.8 Å²	49.8	57%	0.573	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	-29.7	-175.4	60.8	0	0	0	0	114	D73	D73-S75 WeakPolarHBondContact OD1-CB 3.39Å; D73-S75 PolarHBondContact OD1-N 2.85Å; D73-S75 PolarHBondContact OD1-OG 2.92Å; D73-S75 PolarHBondContact OD2-OG 3.33Å
76	H	86.5	Confident	91.3	Very high	50 Å²	50	52.8 Å²	52.8	23%	0.231	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.9	178.9	-67.4	-82.2	0	0	0	111.5	T74 G78 W79 Y99	T74-H76 VanDerWaalsContact C-N 3.31Å; T74-H76 PolarHBondContact O-N 3.19Å; H76-G78 PolarHBondContact O-N 2.81Å; H76-W79 HydrophobicContact CB-CB 4.43Å; H76-W79 VanDerWaalsContact CB-O 3.3Å; H76-W79 WeakPolarHBondContact CB-O 3.09Å; H76-W79 PolarHBondContact O-N 2.99Å; H76-Y99 AromaticContact CD2-CE1 3.91Å
77	E	85.3	Confident	89.9	Confident	121 Å²	121	59.2 Å²	59.2	57%	0.565	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	128.5	177.9	-166.4	-178.2	-171.9	0	0	110.6	W79 F217 V224	E77-W79 PolarHBondContact O-N 2.87Å; E77-F217 HydrophobicContact CB-CE1 4.08Å; E77-F217 HydrophobicContact CB-CZ 4.32Å; E77-F217 HydrophobicContact CG-CE1 3.81Å; E77-F217 HydrophobicContact CG-CE2 4.17Å; E77-F217 HydrophobicContact CG-CZ 3.56Å; E77-F217 WeakPolarHBondContact O-CD1 3.27Å; E77-F217 WeakPolarHBondContact OE1-CZ 3.12Å; E77-F217 WeakPolarHBondContact OE2-CZ 3.33Å; E77-V224 HydrophobicContact CB-CG1 4.41Å
78	G	88.1	Confident	88.3	Confident	9 Å²	9	63 Å²	63	9%	0.093	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-10.4	178	0	0	0	0	0	116.2	H76 S102	H76-G78 PolarHBondContact O-N 2.81Å; G78-S102 WeakPolarHBondContact CA-OG 3.37Å; G78-S102 PolarHBondContact O-N 3.05Å; G78-S102 PolarHBondContact O-OG 2.95Å
79	W	93.3	Very high	86.2	Confident	1 Å²	1	72.5 Å²	72.5	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.8	-177.5	-71.1	92.1	0	0	0	111.1	Y53 H76 E77 I100 P101 P216 D218 S220	Y53-W79 HydrophobicContact CE2-CH2 4.47Å; Y53-W79 VanDerWaalsContact OH-CH2 3.31Å; Y53-W79 WeakPolarHBondContact OH-CH2 3.21Å; Y53-W79 WeakPolarHBondContact OH-CZ3 3.23Å; H76-W79 HydrophobicContact CB-CB 4.43Å; H76-W79 VanDerWaalsContact CB-O 3.3Å; H76-W79 WeakPolarHBondContact CB-O 3.09Å; H76-W79 PolarHBondContact O-N 2.99Å; E77-W79 PolarHBondContact O-N 2.87Å; W79-I100 CarbonylContact C-O 3.41Å; W79-I100 WeakPolarHBondContact CA-O 3.28Å; W79-P101 HydrophobicContact CE3-CG 4.44Å; W79-P101 HydrophobicContact CH2-CG 4.14Å; W79-P101 HydrophobicContact CZ3-CG 3.97Å; W79-P216 HydrophobicContact CZ2-CB 4.11Å; W79-D218 WeakPolarHBondContact CZ2-O 3.38Å; W79-S220 VanDerWaalsContact CZ2-CA 3.49Å; W79-S220 PolarHBondContact NE1-O 3.25Å
80	W	95.5	Very high	84.1	Confident	57 Å²	57	76.2 Å²	76.2	22%	0.216	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.7	-179.5	-64.6	-14.6	0	0	0	111.1	F47 V71 D73 T74 Y99 I100 S102 V105	F47-W80 HydrophobicContact CD1-CZ3 4.25Å; F47-W80 HydrophobicContact CE1-CH2 4.25Å; F47-W80 AromaticContact CE1-CZ3 3.63Å; F47-W80 HydrophobicContact CE1-CZ3 3.63Å; F47-W80 HydrophobicContact CE2-CZ3 4.48Å; F47-W80 HydrophobicContact CZ-CH2 4.33Å; F47-W80 AromaticContact CZ-CZ3 3.76Å; F47-W80 HydrophobicContact CZ-CZ3 3.76Å; V71-W80 HydrophobicContact CG1-CB 4.15Å; V71-W80 HydrophobicContact CG1-CD2 4.44Å; V71-W80 HydrophobicContact CG1-CE3 4.23Å; V71-W80 HydrophobicContact CG1-CG 4.47Å; V71-W80 HydrophobicContact CG2-CE3 3.98Å; D73-W80 CarbonylContact O-C 3.6Å; D73-W80 WeakPolarHBondContact O-CA 3.3Å; D73-W80 WeakPolarHBondContact O-CB 3.31Å; T74-W80 HydrophobicContact CG2-CD2 3.87Å; T74-W80 HydrophobicContact CG2-CE3 4.46Å; T74-W80 HydrophobicContact CG2-CG 3.97Å; T74-W80 HydrophobicContact CG2-CZ2 4.4Å; W80-Y99 CarbonylContact O-C 3.59Å; W80-Y99 VanDerWaalsContact O-CA 3.3Å; W80-Y99 WeakPolarHBondContact O-CA 3.48Å; W80-I100 HydrophobicContact CB-CG1 4.2Å; W80-I100 PolarHBondContact N-O 2.87Å; W80-I100 WeakPolarHBondContact O-CG1 3.26Å; W80-I100 PolarHBondContact O-N 3.02Å; W80-S102 VanDerWaalsContact CD2-CB 3.4Å; W80-V105 HydrophobicContact CE3-CG2 4.04Å; W80-V105 HydrophobicContact CZ3-CG2 3.89Å
81	F	95.9	Very high	81.8	Confident	63 Å²	63	77.1 Å²	77.1	28%	0.276	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.3	173.2	-163.7	-104	0	0	0	109.4	L72 D73 Q97 Y99	L72-F81 HydrophobicContact CB-CD1 4.28Å; L72-F81 HydrophobicContact CD1-CD1 4.17Å; L72-F81 HydrophobicContact CD1-CE1 4.31Å; L72-F81 PolarHBondContact N-O 3.28Å; D73-F81 HydrophobicContact CB-CB 3.89Å; D73-F81 PolarHBondContact N-O 2.87Å; D73-F81 PolarHBondContact O-N 2.96Å; F81-Q97 HydrophobicContact CE1-CB 4.21Å; F81-Q97 HydrophobicContact CZ-CB 4.05Å; F81-Y99 HydrophobicContact CB-CD1 4.34Å; F81-Y99 HydrophobicContact CB-CE1 4.22Å; F81-Y99 HydrophobicContact CD2-CD1 4.13Å; F81-Y99 AromaticContact CD2-CD2 3.96Å; F81-Y99 HydrophobicContact CD2-CD2 3.96Å; F81-Y99 HydrophobicContact CD2-CE1 4.08Å; F81-Y99 AromaticContact CD2-CE2 3.89Å; F81-Y99 HydrophobicContact CD2-CE2 3.89Å; F81-Y99 HydrophobicContact CD2-CG 4.1Å; F81-Y99 AromaticContact CD2-CZ 3.97Å; F81-Y99 HydrophobicContact CE2-CD2 4.35Å; F81-Y99 HydrophobicContact CE2-CE2 4.24Å
82	A	95.8	Very high	79.5	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	166.5	-173	0	0	0	0	0	113	L61 Q70 V71 Q97 G98 I100	L61-A82 HydrophobicContact CD2-CB 4.45Å; Q70-A82 CarbonylContact O-C 3.55Å; Q70-A82 VanDerWaalsContact O-CA 3.26Å; Q70-A82 WeakPolarHBondContact O-CA 3.38Å; V71-A82 HydrophobicContact CG2-CB 4.43Å; A82-Q97 WeakPolarHBondContact O-CA 3.33Å; A82-G98 PolarHBondContact N-O 3.23Å; A82-G98 PolarHBondContact O-N 2.91Å; A82-G98 VanDerWaalsContact O-N 3.09Å; A82-I100 HydrophobicContact CB-CD1 3.52Å; A82-I100 HydrophobicContact CB-CG1 3.88Å; A82-I100 HydrophobicContact CB-CG2 4.22Å
83	R	94.1	Very high	77.5	Confident	105 Å²	105	84.4 Å²	84.4	40%	0.396	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.7	173.2	174.9	179.2	-70.8	178.5	-4.5	110.6	L69 Q70 L72 L96 Q97	L69-R83 WeakPolarHBondContact CA-O 3.3Å; Q70-R83 PolarHBondContact N-O 2.95Å; Q70-R83 PolarHBondContact O-N 2.85Å; L72-R83 HydrophobicContact CD1-CB 4.03Å; R83-L96 CarbonylContact C-O 3.58Å; R83-L96 VanDerWaalsContact CA-O 3.28Å; R83-L96 WeakPolarHBondContact CA-O 3.42Å; R83-Q97 HydrophobicContact CB-CG 3.91Å; R83-Q97 HydrophobicContact CG-CG 3.93Å
84	H	92.6	Very high	76.1	Confident	22 Å²	22	86.7 Å²	86.7	10%	0.102	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.5	172.2	-160.3	-78	0	0	0	111.4	D67 L69 E86 L96	D67-H84 WeakPolarHBondContact CB-NE2 3.44Å; D67-H84 VanDerWaalsContact CG-NE2 3.28Å; D67-H84 IonicContact OD1-NE2 3.82Å; D67-H84 IonicContact OD2-NE2 3.24Å; D67-H84 PolarHBondContact OD2-NE2 3.28Å; L69-H84 HydrophobicContact CD2-CB 4.32Å; H84-E86 PolarHBondContact CE1-O 2.81Å; H84-E86 PolarHBondContact ND1-N 2.82Å; H84-E86 PolarHBondContact ND1-O 3.27Å; H84-L96 PolarHBondContact N-O 2.81Å
85	L	85.9	Confident	75	Confident	76 Å²	76	87.1 Å²	87.1	40%	0.398	46%	0.459	S	S	.	.			trans	-92.5	-28.8	-174.9	-67.1	172.8	0	0	0	114.2	Y46 K68 Q70	Y46-L85 HydrophobicContact CD1-CD1 3.49Å; Y46-L85 VanDerWaalsContact CD1-CD1 3.49Å; Y46-L85 HydrophobicContact CE1-CD1 3.7Å; Y46-L85 HydrophobicContact CE1-CD2 4.33Å; K68-L85 HydrophobicContact CB-CB 4.32Å; K68-L85 HydrophobicContact CB-CD1 4.15Å; K68-L85 WeakPolarHBondContact O-CB 3.29Å; K68-L85 PolarHBondContact O-N 2.86Å; Q70-L85 HydrophobicContact CB-CD1 4.32Å; Q70-L85 HydrophobicContact CB-CD2 3.93Å; Q70-L85 HydrophobicContact CB-CG 4.28Å
86	E	73.5	Confident	74.8	Confident	118 Å²	118	87.1 Å²	87.1	55%	0.551	45%	0.452	S	S	*	.	S	Bend	trans	-97.4	124.6	179.3	-60.3	-171.3	171.2	0	0	111.2	H84 R88	H84-E86 PolarHBondContact CE1-O 2.81Å; H84-E86 PolarHBondContact ND1-N 2.82Å; H84-E86 PolarHBondContact ND1-O 3.27Å; E86-R88 PolarHBondContact O-N 2.9Å
87	K	60.1	Low	75.2	Confident	182 Å²	182	87.6 Å²	87.6	79%	0.791	45%	0.454	S	S	*	.			trans	-74.2	107.7	166.1	-75	-177.3	178.8	179.4	0	107.6	R89	K87-R89 PolarHBondContact O-N 3.43Å
88	R	59.1	Low	75.6	Confident	96 Å²	96	81.9 Å²	81.9	36%	0.362	43%	0.428	S	S	.	.			trans	-55.4	126	170.8	-78	-171.4	177.1	161.2	9.2	109.1	R64 D67 E86 G90	R64-R88 VanDerWaalsContact CD-NH2 3.34Å; R64-R88 VanDerWaalsContact CG-NH2 3.27Å; D67-R88 IonicContact OD1-NH2 3.13Å; D67-R88 PolarHBondContact OD1-NH2 2.77Å; D67-R88 VanDerWaalsContact OD1-NH2 3.13Å; D67-R88 IonicContact OD2-CZ 3.81Å; D67-R88 IonicContact OD2-NH2 2.79Å; D67-R88 PolarHBondContact OD2-NH2 2.83Å; E86-R88 PolarHBondContact O-N 2.9Å; R88-G90 PolarHBondContact O-N 3.01Å
89	R	49.6	Very low	76	Confident	260 Å²	260	83 Å²	83	98%	0.981	43%	0.429	S	S	*	.	S	Bend	trans	-70.5	99.1	175.8	-72.2	-173	-171.7	-156.9	3.2	108.2	K87	K87-R89 PolarHBondContact O-N 3.43Å
90	G	50.3	Low	76.1	Confident	78 Å²	78	83 Å²	83	80%	0.804	43%	0.429	S	S	*	.	S	Bend	trans	114.3	93.1	172.9	0	0	0	0	0	112.6	R88	R88-G90 PolarHBondContact O-N 3.01Å
91	G	46	Very low	76.1	Confident	62 Å²	62	80.2 Å²	80.2	64%	0.639	42%	0.419	S	S	*	.			trans	150.3	94.5	173.4	0	0	0	0	0	112
92	S	48.7	Very low	76	Confident	118 Å²	118	78.5 Å²	78.5	83%	0.825	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	140.7	165.6	42.7	0	0	0	0	110.8
93	S	52.5	Low	75.8	Confident	124 Å²	124	81.3 Å²	81.3	87%	0.867	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	22.1	168.4	-38.2	0	0	0	0	118.8
94	Q	62.4	Low	75.8	Confident	113 Å²	113	76.8 Å²	76.8	53%	0.528	41%	0.413	S	S	.	.			trans	-82.4	122.7	170.6	-149.3	161.5	21.1	0	0	110.3	L96	Q94-L96 PolarHBondContact O-N 3.27Å
95	Q	70.8	Confident	75.9	Confident	92 Å²	92	76.4 Å²	76.4	43%	0.43	41%	0.412	S	S	.	.			trans	-53.2	120.2	173.1	174.2	169.5	7.5	0	0	109.5	A58 L61 Q97	A58-Q95 PolarHBondContact O-NE2 3.36Å; A58-Q95 PolarHBondContact O-OE1 3.42Å; L61-Q95 WeakPolarHBondContact CD1-O 3.47Å; Q95-Q97 VanDerWaalsContact CD-O 3.31Å; Q95-Q97 WeakPolarHBondContact CG-O 3.31Å; Q95-Q97 PolarHBondContact NE2-O 2.71Å
96	L	85.5	Confident	76.3	Confident	82 Å²	82	73 Å²	73	43%	0.429	40%	0.395	S	S	.	.	S	Bend	trans	-90.2	-7.2	-176	-66.3	174.9	0	0	0	112.8	R83 H84 Q94	R83-L96 CarbonylContact C-O 3.58Å; R83-L96 VanDerWaalsContact CA-O 3.28Å; R83-L96 WeakPolarHBondContact CA-O 3.42Å; H84-L96 PolarHBondContact N-O 2.81Å; Q94-L96 PolarHBondContact O-N 3.27Å
97	Q	93.9	Very high	77.3	Confident	61 Å²	61	72.5 Å²	72.5	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141.3	-178.4	-52.3	-168.9	-100.3	0	0	111.2	F81 A82 R83 Q95	F81-Q97 HydrophobicContact CE1-CB 4.21Å; F81-Q97 HydrophobicContact CZ-CB 4.05Å; A82-Q97 WeakPolarHBondContact O-CA 3.33Å; R83-Q97 HydrophobicContact CB-CG 3.91Å; R83-Q97 HydrophobicContact CG-CG 3.93Å; Q95-Q97 VanDerWaalsContact CD-O 3.31Å; Q95-Q97 WeakPolarHBondContact CG-O 3.31Å; Q95-Q97 PolarHBondContact NE2-O 2.71Å
98	G	95.1	Very high	78.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	-178.8	-179.7	0	0	0	0	0	111	E59 A82	E59-G98 CarbonylContact O-C 3.56Å; E59-G98 WeakPolarHBondContact O-CA 3.34Å; A82-G98 PolarHBondContact N-O 3.23Å; A82-G98 PolarHBondContact O-N 2.91Å; A82-G98 VanDerWaalsContact O-N 3.09Å
99	Y	95.6	Very high	80	Confident	33 Å²	33	72.5 Å²	72.5	13%	0.129	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142	175.8	-69.5	-83.4	0	0	0	111.4	E59 D60 L61 H76 W80 F81 Y221	E59-Y99 HydrophobicContact CB-CD2 4.12Å; E59-Y99 PolarHBondContact O-N 3.23Å; D60-Y99 CarbonylContact C-O 3.59Å; D60-Y99 WeakPolarHBondContact CA-O 3.09Å; L61-Y99 PolarHBondContact N-O 3.36Å; H76-Y99 AromaticContact CD2-CE1 3.91Å; W80-Y99 CarbonylContact O-C 3.59Å; W80-Y99 VanDerWaalsContact O-CA 3.3Å; W80-Y99 WeakPolarHBondContact O-CA 3.48Å; F81-Y99 HydrophobicContact CB-CD1 4.34Å; F81-Y99 HydrophobicContact CB-CE1 4.22Å; F81-Y99 HydrophobicContact CD2-CD1 4.13Å; F81-Y99 AromaticContact CD2-CD2 3.96Å; F81-Y99 HydrophobicContact CD2-CD2 3.96Å; F81-Y99 HydrophobicContact CD2-CE1 4.08Å; F81-Y99 AromaticContact CD2-CE2 3.89Å; F81-Y99 HydrophobicContact CD2-CE2 3.89Å; F81-Y99 HydrophobicContact CD2-CG 4.1Å; F81-Y99 AromaticContact CD2-CZ 3.97Å; F81-Y99 HydrophobicContact CE2-CD2 4.35Å; F81-Y99 HydrophobicContact CE2-CE2 4.24Å; Y99-Y221 HydrophobicContact CD1-CD1 4.18Å; Y99-Y221 HydrophobicContact CD1-CD2 4.32Å; Y99-Y221 AromaticContact CD1-CG 3.84Å; Y99-Y221 HydrophobicContact CD1-CG 3.84Å; Y99-Y221 AromaticContact CD2-CD1 3.35Å; Y99-Y221 HydrophobicContact CD2-CD1 3.35Å; Y99-Y221 HydrophobicContact CD2-CD2 4.35Å; Y99-Y221 AromaticContact CD2-CE1 3.48Å; Y99-Y221 HydrophobicContact CD2-CE1 3.48Å; Y99-Y221 VanDerWaalsContact CD2-CE1 3.48Å; Y99-Y221 HydrophobicContact CD2-CE2 4.45Å; Y99-Y221 AromaticContact CD2-CG 3.82Å; Y99-Y221 HydrophobicContact CD2-CG 3.82Å; Y99-Y221 HydrophobicContact CE1-CD1 4.35Å; Y99-Y221 AromaticContact CE1-CD2 3.79Å; Y99-Y221 HydrophobicContact CE1-CD2 3.79Å; Y99-Y221 HydrophobicContact CE1-CE2 4.31Å; Y99-Y221 AromaticContact CE1-CG 3.8Å; Y99-Y221 HydrophobicContact CE1-CG 3.8Å; Y99-Y221 AromaticContact CE2-CD1 3.57Å; Y99-Y221 HydrophobicContact CE2-CD1 3.57Å; Y99-Y221 AromaticContact CE2-CD2 3.84Å; Y99-Y221 HydrophobicContact CE2-CD2 3.84Å; Y99-Y221 AromaticContact CE2-CE1 3.38Å; Y99-Y221 HydrophobicContact CE2-CE1 3.38Å; Y99-Y221 AromaticContact CE2-CE2 3.66Å; Y99-Y221 HydrophobicContact CE2-CE2 3.66Å; Y99-Y221 AromaticContact CE2-CG 3.79Å; Y99-Y221 HydrophobicContact CE2-CG 3.79Å; Y99-Y221 AromaticContact CE2-CZ 3.4Å; Y99-Y221 VanDerWaalsContact CE2-CZ 3.4Å; Y99-Y221 AromaticContact CG-CD1 3.68Å; Y99-Y221 HydrophobicContact CG-CD1 3.68Å; Y99-Y221 HydrophobicContact CG-CE1 4.27Å; Y99-Y221 AromaticContact CG-CG 3.83Å; Y99-Y221 HydrophobicContact CG-CG 3.83Å; Y99-Y221 AromaticContact CZ-CD2 3.51Å; Y99-Y221 AromaticContact CZ-CE2 3.55Å; Y99-Y221 AromaticContact CZ-CG 3.76Å; Y99-Y221 AromaticContact CZ-CZ 3.84Å; Y99-Y221 WeakPolarHBondContact OH-CE2 3.22Å
100	I	95.7	Very high	82.1	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.6	177.7	62.3	167.4	0	0	0	109.8	L61 F63 L69 W79 W80 A82 S102 V105	L61-I100 HydrophobicContact CB-CG2 3.78Å; L61-I100 HydrophobicContact CD2-CG2 4.11Å; L61-I100 HydrophobicContact CG-CG2 4.28Å; F63-I100 HydrophobicContact CD1-CG2 3.82Å; F63-I100 HydrophobicContact CE1-CB 3.69Å; F63-I100 HydrophobicContact CE1-CG2 3.45Å; F63-I100 VanDerWaalsContact CE1-CG2 3.45Å; F63-I100 HydrophobicContact CZ-CB 4.38Å; L69-I100 HydrophobicContact CD1-CD1 3.94Å; W79-I100 CarbonylContact C-O 3.41Å; W79-I100 WeakPolarHBondContact CA-O 3.28Å; W80-I100 HydrophobicContact CB-CG1 4.2Å; W80-I100 PolarHBondContact N-O 2.87Å; W80-I100 WeakPolarHBondContact O-CG1 3.26Å; W80-I100 PolarHBondContact O-N 3.02Å; A82-I100 HydrophobicContact CB-CD1 3.52Å; A82-I100 HydrophobicContact CB-CG1 3.88Å; A82-I100 HydrophobicContact CB-CG2 4.22Å; I100-S102 PolarHBondContact O-N 3.19Å; I100-V105 HydrophobicContact CD1-CG1 3.86Å; I100-V105 HydrophobicContact CD1-CG2 4.32Å
101	P	95.2	Very high	83.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.6	169.8	-17.4	30.4	0	0	0	110.3	Y53 W79 N103 Y104 P216	Y53-P101 HydrophobicContact CD2-CG 3.66Å; Y53-P101 HydrophobicContact CE1-CG 4.46Å; Y53-P101 HydrophobicContact CE2-CG 3.49Å; Y53-P101 VanDerWaalsContact CE2-CG 3.49Å; Y53-P101 HydrophobicContact CG-CG 4.25Å; W79-P101 HydrophobicContact CE3-CG 4.44Å; W79-P101 HydrophobicContact CH2-CG 4.14Å; W79-P101 HydrophobicContact CZ3-CG 3.97Å; P101-N103 VanDerWaalsContact C-N 3.26Å; P101-N103 WeakPolarHBondContact CB-OD1 3.02Å; P101-N103 PolarHBondContact O-N 3.15Å; P101-Y104 HydrophobicContact CB-CD2 3.56Å; P101-Y104 HydrophobicContact CB-CE2 4.06Å; P101-Y104 HydrophobicContact CB-CG 4.01Å; P101-Y104 HydrophobicContact CG-CD2 4.07Å; P101-Y104 HydrophobicContact CG-CE2 4.33Å; P101-Y104 HydrophobicContact CG-CG 4.23Å; P101-Y104 WeakPolarHBondContact O-CB 3.49Å; P101-Y104 PolarHBondContact O-N 2.87Å; P101-Y104 VanDerWaalsContact O-N 3.13Å; P101-P216 HydrophobicContact CB-CB 4.13Å; P101-P216 HydrophobicContact CB-CG 4.4Å; P101-P216 HydrophobicContact CG-CB 4.12Å; P101-P216 HydrophobicContact CG-CG 4.08Å
102	S	94.1	Very high	86.1	Confident	26 Å²	26	61.5 Å²	61.5	18%	0.182	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-66	-29.5	-176.8	62.9	0	0	0	0	113	G78 W80 I100 Y104 V105	G78-S102 WeakPolarHBondContact CA-OG 3.37Å; G78-S102 PolarHBondContact O-N 3.05Å; G78-S102 PolarHBondContact O-OG 2.95Å; W80-S102 VanDerWaalsContact CD2-CB 3.4Å; I100-S102 PolarHBondContact O-N 3.19Å; S102-Y104 PolarHBondContact O-N 3.31Å; S102-V105 VanDerWaalsContact O-CG2 3.29Å; S102-V105 WeakPolarHBondContact O-CG2 3.47Å; S102-V105 PolarHBondContact O-N 3.44Å
103	N	92.1	Very high	88.2	Confident	60 Å²	60	56.8 Å²	56.8	32%	0.321	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-76	-0.2	177	65	-29.4	0	0	0	114.1	P101 A215	P101-N103 VanDerWaalsContact C-N 3.26Å; P101-N103 WeakPolarHBondContact CB-OD1 3.02Å; P101-N103 PolarHBondContact O-N 3.15Å; N103-A215 PolarHBondContact ND2-O 2.83Å
104	Y	94	Very high	90.1	Very high	10 Å²	10	53 Å²	53	4%	0.039	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-96	-2.6	176.9	-81.7	-129.9	0	0	0	112.6	L50 F51 D52 Y53 F63 P101 S102 V213 P214 P216	L50-Y104 WeakPolarHBondContact CB-O 3.45Å; L50-Y104 PolarHBondContact N-O 2.8Å; F51-Y104 HydrophobicContact CB-CD1 3.8Å; F51-Y104 HydrophobicContact CB-CE1 4.08Å; F51-Y104 HydrophobicContact CB-CG 4.47Å; F51-Y104 HydrophobicContact CD2-CD1 4.47Å; F51-Y104 HydrophobicContact CD2-CG 4.35Å; D52-Y104 WeakPolarHBondContact O-CE1 3.21Å; Y53-Y104 HydrophobicContact CD2-CD1 4.27Å; Y53-Y104 AromaticContact CD2-CE1 3.98Å; Y53-Y104 HydrophobicContact CD2-CE1 3.98Å; Y53-Y104 HydrophobicContact CG-CD1 4.4Å; Y53-Y104 HydrophobicContact CG-CE1 4.46Å; F63-Y104 HydrophobicContact CE2-CD1 4.29Å; F63-Y104 HydrophobicContact CZ-CD1 4.2Å; F63-Y104 HydrophobicContact CZ-CG 4.38Å; P101-Y104 HydrophobicContact CB-CD2 3.56Å; P101-Y104 HydrophobicContact CB-CE2 4.06Å; P101-Y104 HydrophobicContact CB-CG 4.01Å; P101-Y104 HydrophobicContact CG-CD2 4.07Å; P101-Y104 HydrophobicContact CG-CE2 4.33Å; P101-Y104 HydrophobicContact CG-CG 4.23Å; P101-Y104 WeakPolarHBondContact O-CB 3.49Å; P101-Y104 PolarHBondContact O-N 2.87Å; P101-Y104 VanDerWaalsContact O-N 3.13Å; S102-Y104 PolarHBondContact O-N 3.31Å; Y104-V213 HydrophobicContact CE1-CG1 3.89Å; Y104-V213 VanDerWaalsContact OH-CG1 3.3Å; Y104-V213 WeakPolarHBondContact OH-CG1 3.22Å; Y104-P214 HydrophobicContact CD2-CG 4.2Å; Y104-P214 HydrophobicContact CE2-CG 3.97Å; Y104-P214 WeakPolarHBondContact CE2-O 2.99Å; Y104-P214 VanDerWaalsContact CZ-O 3.25Å; Y104-P214 PolarHBondContact OH-O 3.03Å; Y104-P216 HydrophobicContact CE2-CG 3.89Å
105	V	94.2	Very high	91.6	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.5	-174.4	-64.4	0	0	0	0	111.6	F47 V48 L69 W80 I100 S102	F47-V105 HydrophobicContact CB-CB 4.07Å; F47-V105 HydrophobicContact CB-CG2 4.45Å; F47-V105 HydrophobicContact CD1-CB 4.09Å; F47-V105 HydrophobicContact CD1-CG2 3.83Å; F47-V105 HydrophobicContact CE1-CG2 4.48Å; F47-V105 HydrophobicContact CG-CB 4.44Å; F47-V105 HydrophobicContact CG-CG2 4.33Å; V48-V105 VanDerWaalsContact O-CA 3.31Å; V48-V105 WeakPolarHBondContact O-CA 3.47Å; L69-V105 HydrophobicContact CD1-CG1 3.75Å; W80-V105 HydrophobicContact CE3-CG2 4.04Å; W80-V105 HydrophobicContact CZ3-CG2 3.89Å; I100-V105 HydrophobicContact CD1-CG1 3.86Å; I100-V105 HydrophobicContact CD1-CG2 4.32Å; S102-V105 VanDerWaalsContact O-CG2 3.29Å; S102-V105 WeakPolarHBondContact O-CG2 3.47Å; S102-V105 PolarHBondContact O-N 3.44Å
106	A	94	Very high	92.7	Very high	6 Å²	6	47.4 Å²	47.4	5%	0.05	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149	169.6	0	0	0	0	0	110.3	F47 V48 L50 D108 Q112 A113	F47-A106 CarbonylContact C-O 3.46Å; F47-A106 WeakPolarHBondContact CA-O 3.31Å; F47-A106 WeakPolarHBondContact CB-O 3.31Å; F47-A106 WeakPolarHBondContact CD1-O 3.46Å; V48-A106 PolarHBondContact N-O 3.22Å; V48-A106 PolarHBondContact O-N 2.96Å; L50-A106 HydrophobicContact CD1-CB 4.03Å; L50-A106 HydrophobicContact CD2-CB 3.83Å; L50-A106 HydrophobicContact CG-CB 4.1Å; A106-D108 PolarHBondContact O-N 3.3Å; A106-Q112 VanDerWaalsContact CB-C 3.45Å; A106-Q112 HydrophobicContact CB-CB 3.64Å; A106-A113 HydrophobicContact CB-CB 4.02Å
107	E	94.2	Very high	93.2	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	135.5	177.9	-174.4	171.9	-155.5	0	0	109.9	F47 R109 S110 A113	F47-E107 HydrophobicContact CD1-CB 4.4Å; F47-E107 VanDerWaalsContact CD1-N 3.34Å; F47-E107 HydrophobicContact CE1-CB 4.07Å; E107-R109 PolarHBondContact O-N 3.17Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 2.9Å; E107-S110 VanDerWaalsContact O-N 3.09Å; E107-S110 PolarHBondContact O-OG 3.43Å; E107-A113 WeakPolarHBondContact O-CB 3.2Å
108	D	89.8	Confident	93.2	Very high	50 Å²	50	42 Å²	42	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	137	-177	-166.4	13.7	0	0	0	110.6	Y46 V48 K68 A106 S110	Y46-D108 WeakPolarHBondContact O-CB 3.35Å; Y46-D108 PolarHBondContact O-N 3.11Å; V48-D108 HydrophobicContact CG2-CB 4.2Å; V48-D108 WeakPolarHBondContact CG2-OD1 3.24Å; K68-D108 IonicContact NZ-OD1 2.64Å; K68-D108 PolarHBondContact NZ-OD1 2.99Å; K68-D108 IonicContact NZ-OD2 3.03Å; K68-D108 PolarHBondContact NZ-OD2 3.19Å; A106-D108 PolarHBondContact O-N 3.3Å; D108-S110 PolarHBondContact O-N 2.78Å
109	R	87.4	Confident	93	Very high	228 Å²	228	42.6 Å²	42.6	86%	0.86	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	11.3	-175.6	-45.9	174.8	-179.4	-177.5	-2.1	115	E107	E107-R109 PolarHBondContact O-N 3.17Å
110	S	91.8	Very high	92.7	Very high	19 Å²	19	44.9 Å²	44.9	13%	0.133	24%	0.238	C	C	.	.	S	Bend	trans	-78.6	161.9	166.4	71.7	0	0	0	0	111.3	E107 D108 Q112 A113	E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 2.9Å; E107-S110 VanDerWaalsContact O-N 3.09Å; E107-S110 PolarHBondContact O-OG 3.43Å; D108-S110 PolarHBondContact O-N 2.78Å; S110-Q112 PolarHBondContact O-N 3.13Å; S110-Q112 PolarHBondContact OG-N 3.26Å; S110-A113 PolarHBondContact O-N 3.25Å; S110-A113 VanDerWaalsContact O-N 3.15Å; S110-A113 PolarHBondContact OG-N 2.94Å
111	L	89.6	Confident	92.3	Very high	47 Å²	47	46.3 Å²	46.3	25%	0.246	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.5	-32.7	172.3	-177.9	60.4	0	0	0	111.4	A113 E114 W116 F117 F152 L186	L111-A113 PolarHBondContact O-N 3.29Å; L111-E114 HydrophobicContact CD1-CG 4.46Å; L111-E114 WeakPolarHBondContact O-CB 3.49Å; L111-E114 PolarHBondContact O-N 3.46Å; L111-E114 VanDerWaalsContact O-N 3.15Å; L111-W116 HydrophobicContact CD1-CH2 3.46Å; L111-W116 VanDerWaalsContact CD1-CH2 3.46Å; L111-W116 HydrophobicContact CD1-CZ2 4.4Å; L111-W116 HydrophobicContact CD1-CZ3 3.85Å; L111-F117 HydrophobicContact CD1-CB 4.31Å; L111-F117 HydrophobicContact CD1-CD2 4Å; L111-F117 HydrophobicContact CD1-CE2 4.48Å; L111-F117 HydrophobicContact CD1-CG 4.05Å; L111-F117 HydrophobicContact CD2-CD1 4.44Å; L111-F117 HydrophobicContact CD2-CD2 3.99Å; L111-F117 HydrophobicContact CD2-CE1 4.09Å; L111-F117 HydrophobicContact CD2-CE2 3.62Å; L111-F117 HydrophobicContact CD2-CG 4.37Å; L111-F117 HydrophobicContact CD2-CZ 3.66Å; L111-F117 HydrophobicContact CG-CB 4.41Å; L111-F117 HydrophobicContact CG-CD1 3.83Å; L111-F117 HydrophobicContact CG-CD2 3.8Å; L111-F117 HydrophobicContact CG-CE1 3.93Å; L111-F117 HydrophobicContact CG-CE2 3.93Å; L111-F117 HydrophobicContact CG-CG 3.74Å; L111-F117 HydrophobicContact CG-CZ 3.98Å; L111-F117 VanDerWaalsContact O-CB 3.28Å; L111-F117 WeakPolarHBondContact O-CB 3.3Å; L111-F117 WeakPolarHBondContact O-CD1 3.36Å; L111-F152 HydrophobicContact CD2-CE1 3.94Å; L111-F152 HydrophobicContact CD2-CZ 4.04Å; L111-L186 HydrophobicContact CD1-CD1 3.8Å; L111-L186 HydrophobicContact CD2-CD1 3.97Å
112	Q	91.3	Very high	91.8	Very high	102 Å²	102	49.3 Å²	49.3	48%	0.477	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-65.7	-26.4	178.5	-67	78.3	-0.3	0	0	112.8	L50 A106 S110 E114 F117	L50-Q112 WeakPolarHBondContact CD2-O 3.44Å; A106-Q112 VanDerWaalsContact CB-C 3.45Å; A106-Q112 HydrophobicContact CB-CB 3.64Å; S110-Q112 PolarHBondContact O-N 3.13Å; S110-Q112 PolarHBondContact OG-N 3.26Å; Q112-E114 VanDerWaalsContact C-N 3.28Å; Q112-F117 HydrophobicContact CG-CE1 4.43Å
113	A	92.4	Very high	91.4	Very high	19 Å²	19	51 Å²	51	16%	0.157	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-78.2	-12.3	176.3	0	0	0	0	0	113.3	V48 A106 E107 S110 L111	V48-A113 HydrophobicContact CB-CB 4.4Å; V48-A113 HydrophobicContact CG2-CB 4.14Å; A106-A113 HydrophobicContact CB-CB 4.02Å; E107-A113 WeakPolarHBondContact O-CB 3.2Å; S110-A113 PolarHBondContact O-N 3.25Å; S110-A113 VanDerWaalsContact O-N 3.15Å; S110-A113 PolarHBondContact OG-N 2.94Å; L111-A113 PolarHBondContact O-N 3.29Å
114	E	93.9	Very high	90.8	Very high	45 Å²	45	50.5 Å²	50.5	21%	0.21	26%	0.26	C	S	.	.			trans	-71	130.8	179.4	-68.3	-67.2	157.1	0	0	111.1	L111 Q112 W116 F117 N187	L111-E114 HydrophobicContact CD1-CG 4.46Å; L111-E114 WeakPolarHBondContact O-CB 3.49Å; L111-E114 PolarHBondContact O-N 3.46Å; L111-E114 VanDerWaalsContact O-N 3.15Å; Q112-E114 VanDerWaalsContact C-N 3.28Å; E114-W116 HydrophobicContact CB-CD2 4.06Å; E114-W116 HydrophobicContact CB-CH2 4.22Å; E114-W116 HydrophobicContact CB-CZ2 3.72Å; E114-W116 HydrophobicContact CG-CH2 4.14Å; E114-W116 HydrophobicContact CG-CZ2 3.54Å; E114-W116 PolarHBondContact O-N 2.77Å; E114-W116 PolarHBondContact OE2-NE1 3.33Å; E114-F117 HydrophobicContact CB-CB 4.02Å; E114-F117 PolarHBondContact O-N 2.99Å; E114-N187 PolarHBondContact OE1-ND2 3.44Å; E114-N187 PolarHBondContact OE2-ND2 3.36Å
115	P	92.6	Very high	90.4	Very high	75 Å²	75	51.7 Å²	51.7	49%	0.487	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.4	-175.3	25.8	-34.4	0	0	0	112.9	P207	P115-P207 HydrophobicContact CB-CB 4.3Å; P115-P207 HydrophobicContact CB-CG 4.26Å; P115-P207 HydrophobicContact CG-CG 4.12Å
116	W	95.1	Very high	90.2	Very high	12 Å²	12	51 Å²	51	5%	0.045	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.4	178	49.6	-94.9	0	0	0	113.2	L111 E114 F118 F140 L141 I142 L186 V190 P207	L111-W116 HydrophobicContact CD1-CH2 3.46Å; L111-W116 VanDerWaalsContact CD1-CH2 3.46Å; L111-W116 HydrophobicContact CD1-CZ2 4.4Å; L111-W116 HydrophobicContact CD1-CZ3 3.85Å; E114-W116 HydrophobicContact CB-CD2 4.06Å; E114-W116 HydrophobicContact CB-CH2 4.22Å; E114-W116 HydrophobicContact CB-CZ2 3.72Å; E114-W116 HydrophobicContact CG-CH2 4.14Å; E114-W116 HydrophobicContact CG-CZ2 3.54Å; E114-W116 PolarHBondContact O-N 2.77Å; E114-W116 PolarHBondContact OE2-NE1 3.33Å; W116-F118 WeakPolarHBondContact O-CD2 3.47Å; W116-F140 HydrophobicContact CB-CD2 4.28Å; W116-F140 HydrophobicContact CB-CE2 3.5Å; W116-F140 HydrophobicContact CB-CZ 3.77Å; W116-F140 AromaticContact CG-CE2 3.93Å; W116-F140 HydrophobicContact CG-CE2 3.93Å; W116-F140 HydrophobicContact CG-CZ 4.14Å; W116-L141 CarbonylContact O-C 3.5Å; W116-L141 WeakPolarHBondContact O-CA 3.45Å; W116-I142 HydrophobicContact CE3-CB 3.72Å; W116-I142 HydrophobicContact CE3-CD1 3.69Å; W116-I142 HydrophobicContact CE3-CG1 3.8Å; W116-I142 HydrophobicContact CH2-CD1 4.45Å; W116-I142 HydrophobicContact CZ3-CB 3.82Å; W116-I142 HydrophobicContact CZ3-CD1 3.59Å; W116-I142 HydrophobicContact CZ3-CG1 4.05Å; W116-I142 HydrophobicContact CZ3-CG2 4.3Å; W116-I142 PolarHBondContact O-N 2.96Å; W116-L186 HydrophobicContact CH2-CB 3.51Å; W116-L186 HydrophobicContact CH2-CD1 4.3Å; W116-L186 HydrophobicContact CZ2-CB 4.38Å; W116-L186 HydrophobicContact CZ3-CB 4.15Å; W116-L186 HydrophobicContact CZ3-CD1 4.34Å; W116-V190 HydrophobicContact CD2-CG2 3.98Å; W116-V190 HydrophobicContact CE3-CG2 4.22Å; W116-V190 HydrophobicContact CG-CG2 4.49Å; W116-V190 HydrophobicContact CH2-CG2 4.47Å; W116-V190 HydrophobicContact CZ2-CG2 4.21Å; W116-V190 HydrophobicContact CZ3-CG2 4.48Å; W116-P207 HydrophobicContact CB-CB 3.94Å; W116-P207 HydrophobicContact CB-CG 4.1Å
117	F	95.3	Very high	90	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-95.3	128.5	179.1	-171.6	-107.8	0	0	0	111.4	L111 Q112 E114 G119 I142 E144 F152 K210	L111-F117 HydrophobicContact CD1-CB 4.31Å; L111-F117 HydrophobicContact CD1-CD2 4Å; L111-F117 HydrophobicContact CD1-CE2 4.48Å; L111-F117 HydrophobicContact CD1-CG 4.05Å; L111-F117 HydrophobicContact CD2-CD1 4.44Å; L111-F117 HydrophobicContact CD2-CD2 3.99Å; L111-F117 HydrophobicContact CD2-CE1 4.09Å; L111-F117 HydrophobicContact CD2-CE2 3.62Å; L111-F117 HydrophobicContact CD2-CG 4.37Å; L111-F117 HydrophobicContact CD2-CZ 3.66Å; L111-F117 HydrophobicContact CG-CB 4.41Å; L111-F117 HydrophobicContact CG-CD1 3.83Å; L111-F117 HydrophobicContact CG-CD2 3.8Å; L111-F117 HydrophobicContact CG-CE1 3.93Å; L111-F117 HydrophobicContact CG-CE2 3.93Å; L111-F117 HydrophobicContact CG-CG 3.74Å; L111-F117 HydrophobicContact CG-CZ 3.98Å; L111-F117 VanDerWaalsContact O-CB 3.28Å; L111-F117 WeakPolarHBondContact O-CB 3.3Å; L111-F117 WeakPolarHBondContact O-CD1 3.36Å; Q112-F117 HydrophobicContact CG-CE1 4.43Å; E114-F117 HydrophobicContact CB-CB 4.02Å; E114-F117 PolarHBondContact O-N 2.99Å; F117-G119 VanDerWaalsContact CE1-CA 3.48Å; F117-I142 WeakPolarHBondContact CA-O 3.27Å; F117-I142 HydrophobicContact CD2-CB 4.42Å; F117-I142 HydrophobicContact CD2-CG2 4.24Å; F117-I142 WeakPolarHBondContact CD2-O 3.41Å; F117-E144 HydrophobicContact CZ-CG 4.24Å; F117-F152 AromaticContact CE2-CD1 3.9Å; F117-F152 HydrophobicContact CE2-CD1 3.9Å; F117-F152 AromaticContact CE2-CE1 3.71Å; F117-F152 HydrophobicContact CE2-CE1 3.71Å; F117-F152 HydrophobicContact CZ-CE1 4.07Å; F117-K210 WeakPolarHBondContact O-CE 3.34Å; F117-K210 PolarHBondContact O-NZ 3.41Å
118	F	93.1	Very high	89.6	Confident	24 Å²	24	51.6 Å²	51.6	11%	0.105	26%	0.264	C	S	.	.			trans	-116.8	5.3	-174.7	-77.8	-116.6	0	0	0	112.7	W116 I121 L141 I142 C208 K210	W116-F118 WeakPolarHBondContact O-CD2 3.47Å; F118-I121 HydrophobicContact CB-CD1 3.5Å; F118-I121 VanDerWaalsContact CB-CD1 3.5Å; F118-I121 HydrophobicContact CB-CG1 3.7Å; F118-I121 HydrophobicContact CB-CG2 4.29Å; F118-I121 HydrophobicContact CD1-CD1 3.82Å; F118-I121 HydrophobicContact CG-CD1 3.96Å; F118-I121 WeakPolarHBondContact O-CG2 3.08Å; F118-L141 HydrophobicContact CD1-CD2 4.09Å; F118-L141 HydrophobicContact CD2-CB 3.45Å; F118-L141 VanDerWaalsContact CD2-CB 3.45Å; F118-L141 HydrophobicContact CD2-CD2 4.23Å; F118-L141 HydrophobicContact CD2-CG 4.34Å; F118-L141 HydrophobicContact CE1-CD2 4.16Å; F118-L141 HydrophobicContact CE2-CB 3.62Å; F118-L141 HydrophobicContact CE2-CD2 4.33Å; F118-L141 HydrophobicContact CG-CB 4.08Å; F118-L141 HydrophobicContact CG-CD2 4.12Å; F118-L141 HydrophobicContact CZ-CB 4.34Å; F118-L141 HydrophobicContact CZ-CD2 4.29Å; F118-I142 PolarHBondContact N-O 3.06Å; F118-C208 HydrophobicContact CE2-CB 4.07Å; F118-C208 HydrophobicContact CZ-CB 3.73Å; F118-C208 WeakPolarHBondContact CZ-O 3.4Å; F118-K210 HydrophobicContact CE1-CG 3.74Å; F118-K210 HydrophobicContact CE2-CG 4.16Å; F118-K210 HydrophobicContact CZ-CD 4.46Å; F118-K210 HydrophobicContact CZ-CG 3.5Å
119	G	91.8	Very high	89.7	Confident	14 Å²	14	49.5 Å²	49.5	14%	0.144	25%	0.252	C	S	.	.			trans	62.6	-145.5	180	0	0	0	0	0	112.4	F117 I121 R143 E144	F117-G119 VanDerWaalsContact CE1-CA 3.48Å; G119-I121 PolarHBondContact O-N 3.37Å; G119-R143 CarbonylContact O-C 3.59Å; G119-R143 VanDerWaalsContact O-CA 3.26Å; G119-R143 WeakPolarHBondContact O-CA 3.22Å; G119-R143 WeakPolarHBondContact O-CB 3.45Å; G119-E144 PolarHBondContact O-N 3.1Å
120	A	88.7	Confident	90	Very high	81 Å²	81	38.6 Å²	38.6	67%	0.669	21%	0.211	S	C	*	.	S	Bend	trans	-81.6	54.8	-178.9	0	0	0	0	0	113.2	E144	A120-E144 HydrophobicContact CB-CB 4.41Å
121	I	87.8	Confident	90	Very high	30 Å²	30	42.1 Å²	42.1	15%	0.154	23%	0.228	C	C	.	.			trans	-83	146.6	169	60.6	161.3	0	0	0	111.2	F118 G119 A126 L141 R143	F118-I121 HydrophobicContact CB-CD1 3.5Å; F118-I121 VanDerWaalsContact CB-CD1 3.5Å; F118-I121 HydrophobicContact CB-CG1 3.7Å; F118-I121 HydrophobicContact CB-CG2 4.29Å; F118-I121 HydrophobicContact CD1-CD1 3.82Å; F118-I121 HydrophobicContact CG-CD1 3.96Å; F118-I121 WeakPolarHBondContact O-CG2 3.08Å; G119-I121 PolarHBondContact O-N 3.37Å; I121-A126 HydrophobicContact CD1-CB 3.68Å; I121-A126 HydrophobicContact CG1-CB 4.48Å; I121-L141 HydrophobicContact CD1-CD1 3.93Å; I121-L141 HydrophobicContact CD1-CD2 3.92Å; I121-R143 HydrophobicContact CD1-CB 4.43Å; I121-R143 HydrophobicContact CG1-CB 3.67Å; I121-R143 HydrophobicContact CG1-CG 4.46Å; I121-R143 WeakPolarHBondContact O-CD 3.33Å
122	R	84.8	Confident	90	Very high	63 Å²	63	43.9 Å²	43.9	24%	0.238	23%	0.232	C	C	.	.			trans	-69.2	156.5	177.2	-68.1	-176.3	-179.9	167.4	0.2	112.4	S124 D125 A126 E146 D333 E488	R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 PolarHBondContact O-N 2.84Å; R122-D125 HydrophobicContact CB-CB 4.41Å; R122-D125 PolarHBondContact O-N 3.3Å; R122-A126 PolarHBondContact O-N 2.91Å; R122-E146 WeakPolarHBondContact CA-OE1 3.42Å; R122-E146 WeakPolarHBondContact CB-OE1 3.32Å; R122-E146 WeakPolarHBondContact CG-OE1 3.5Å; R122-D333 IonicContact NH1-OD1 3.77Å; R122-D333 PolarHBondContact NH1-OD1 3.23Å; R122-D333 VanDerWaalsContact NH1-OD1 3.15Å; R122-E488 IonicContact CZ-OE1 2.78Å; R122-E488 IonicContact NE-OE1 2.74Å; R122-E488 IonicContact NH2-OE1 2.83Å; R122-E488 PolarHBondContact NH2-OE1 3.41Å
123	R	85.7	Confident	89.8	Confident	62 Å²	62	43.8 Å²	43.8	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-53.4	-48.4	173.7	-178.6	-177.9	177	143.1	-2.8	111.6	D125 A126 E127 E146 H164 S496	R123-D125 VanDerWaalsContact C-N 3.32Å; R123-D125 PolarHBondContact O-N 3.45Å; R123-A126 WeakPolarHBondContact O-CB 3.24Å; R123-A126 PolarHBondContact O-N 3.27Å; R123-E127 IonicContact NE-OE1 2.59Å; R123-E127 PolarHBondContact NE-OE1 3.43Å; R123-E127 VanDerWaalsContact O-CG 3.31Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 2.91Å; R123-E146 VanDerWaalsContact CB-OE2 3.28Å; R123-E146 WeakPolarHBondContact CB-OE2 3.49Å; R123-E146 VanDerWaalsContact N-CD 3.3Å; R123-E146 PolarHBondContact N-OE1 3.33Å; R123-E146 PolarHBondContact N-OE2 3.49Å; R123-E146 VanDerWaalsContact N-OE2 3.15Å; R123-H164 WeakPolarHBondContact CG-CE1 3.11Å; R123-H164 VanDerWaalsContact CZ-CD2 3.42Å; R123-H164 PolarHBondContact NE-CD2 3.35Å; R123-H164 VanDerWaalsContact NE-CD2 3.34Å; R123-H164 PolarHBondContact NE-NE2 3.15Å; R123-H164 PolarHBondContact NH2-CD2 3.31Å; R123-H164 VanDerWaalsContact NH2-CD2 3.33Å; R123-S496 VanDerWaalsContact NH1-CB 3.34Å; R123-S496 PolarHBondContact NH1-O 3.13Å; R123-S496 PolarHBondContact NH1-OG 2.9Å; R123-S496 VanDerWaalsContact NH1-OG 3.1Å; R123-S496 PolarHBondContact NH2-O 2.83Å
124	S	80.1	Confident	89.7	Confident	48 Å²	48	48.3 Å²	48.3	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-35.6	-179.1	55.2	0	0	0	0	112.2	R122 E127 K128	R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 PolarHBondContact O-N 2.84Å; S124-E127 PolarHBondContact O-N 3.29Å; S124-K128 WeakPolarHBondContact O-CG 3.41Å; S124-K128 PolarHBondContact O-N 3Å
125	D	84	Confident	89.7	Confident	35 Å²	35	46.9 Å²	46.9	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-74.7	-34.4	176.8	-64.8	-33.5	0	0	0	112.3	R122 R123 E127 K128 Q129	R122-D125 HydrophobicContact CB-CB 4.41Å; R122-D125 PolarHBondContact O-N 3.3Å; R123-D125 VanDerWaalsContact C-N 3.32Å; R123-D125 PolarHBondContact O-N 3.45Å; D125-E127 VanDerWaalsContact C-N 3.33Å; D125-K128 PolarHBondContact O-N 3.2Å; D125-K128 IonicContact OD1-NZ 3.99Å; D125-K128 PolarHBondContact OD1-NZ 2.82Å; D125-Q129 WeakPolarHBondContact O-CG 3.46Å; D125-Q129 PolarHBondContact O-N 3.24Å
126	A	90.5	Very high	89.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-43.5	168.3	0	0	0	0	0	111.7	I121 R122 R123 Q129 L130 L141	I121-A126 HydrophobicContact CD1-CB 3.68Å; I121-A126 HydrophobicContact CG1-CB 4.48Å; R122-A126 PolarHBondContact O-N 2.91Å; R123-A126 WeakPolarHBondContact O-CB 3.24Å; R123-A126 PolarHBondContact O-N 3.27Å; A126-Q129 PolarHBondContact O-N 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 WeakPolarHBondContact O-CG 3.19Å; A126-L130 PolarHBondContact O-N 3.09Å; A126-L141 HydrophobicContact CB-CD1 3.86Å; A126-L141 HydrophobicContact CB-CD2 4Å; A126-L141 HydrophobicContact CB-CG 4.42Å
127	E	90.6	Very high	90	Very high	59 Å²	59	53.7 Å²	53.7	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-47.6	176.8	-70	175.6	-177.9	0	0	111.6	R123 S124 D125 Q129 L130 L131 V162 H164	R123-E127 IonicContact NE-OE1 2.59Å; R123-E127 PolarHBondContact NE-OE1 3.43Å; R123-E127 VanDerWaalsContact O-CG 3.31Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 2.91Å; S124-E127 PolarHBondContact O-N 3.29Å; D125-E127 VanDerWaalsContact C-N 3.33Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 2.92Å; E127-L130 PolarHBondContact O-N 2.77Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 WeakPolarHBondContact O-CD1 3.23Å; E127-L131 VanDerWaalsContact O-CG 3.23Å; E127-L131 WeakPolarHBondContact O-CG 3.27Å; E127-L131 PolarHBondContact O-N 2.87Å; E127-V162 HydrophobicContact CB-CG2 4.48Å; E127-V162 HydrophobicContact CG-CB 3.91Å; E127-V162 HydrophobicContact CG-CG1 3.91Å; E127-V162 HydrophobicContact CG-CG2 4.39Å; E127-H164 WeakPolarHBondContact CG-NE2 3.42Å; E127-H164 IonicContact OE1-CD2 2.86Å; E127-H164 IonicContact OE1-CE1 2.79Å; E127-H164 IonicContact OE1-NE2 2.7Å; E127-H164 PolarHBondContact OE1-NE2 2.79Å
128	K	85.9	Confident	90	Very high	66 Å²	66	53.5 Å²	53.5	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-45.8	176.2	-70	168.8	-164.5	158.7	0	112	S124 D125 N366	S124-K128 WeakPolarHBondContact O-CG 3.41Å; S124-K128 PolarHBondContact O-N 3Å; D125-K128 PolarHBondContact O-N 3.2Å; D125-K128 IonicContact OD1-NZ 3.99Å; D125-K128 PolarHBondContact OD1-NZ 2.82Å; K128-N366 VanDerWaalsContact CE-ND2 3.34Å; K128-N366 WeakPolarHBondContact CE-ND2 3.43Å
129	Q	90.9	Very high	90.3	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.023	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-43.7	179.6	-70.8	-164.1	87.4	0	0	111.7	D125 A126 E127 L131 Y132 N135 C208 I211 Q212	D125-Q129 WeakPolarHBondContact O-CG 3.46Å; D125-Q129 PolarHBondContact O-N 3.24Å; A126-Q129 PolarHBondContact O-N 3.29Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 2.92Å; Q129-L131 VanDerWaalsContact C-N 3.35Å; Q129-L131 PolarHBondContact O-N 2.83Å; Q129-Y132 VanDerWaalsContact O-CB 3.24Å; Q129-Y132 WeakPolarHBondContact O-CB 3.39Å; Q129-Y132 PolarHBondContact O-N 2.79Å; Q129-N135 PolarHBondContact O-ND2 3.4Å; Q129-C208 VanDerWaalsContact C-SG 3.58Å; Q129-I211 HydrophobicContact CB-CG1 4.48Å; Q129-I211 HydrophobicContact CG-CD1 4.4Å; Q129-I211 HydrophobicContact CG-CG1 3.98Å; Q129-Q212 HydrophobicContact CG-CG 4.21Å
130	L	94.1	Very high	90.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-36.3	179.2	-79	167.6	0	0	0	112.6	A126 E127 Y132 N135 A139 L141 L157 V162 C208	A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 WeakPolarHBondContact O-CG 3.19Å; A126-L130 PolarHBondContact O-N 3.09Å; E127-L130 PolarHBondContact O-N 2.77Å; L130-Y132 PolarHBondContact O-N 3.07Å; L130-N135 WeakPolarHBondContact O-CB 3.36Å; L130-N135 PolarHBondContact O-ND2 3.34Å; L130-N135 VanDerWaalsContact O-ND2 3.13Å; L130-A139 HydrophobicContact CD2-CB 4.12Å; L130-A139 WeakPolarHBondContact CD2-O 3.35Å; L130-L141 HydrophobicContact CD1-CD2 4.19Å; L130-L141 HydrophobicContact CD1-CG 4.17Å; L130-L141 HydrophobicContact CG-CD2 4.03Å; L130-L141 HydrophobicContact CG-CG 4.41Å; L130-L157 HydrophobicContact CB-CB 4.46Å; L130-L157 HydrophobicContact CD2-CB 4.34Å; L130-L157 WeakPolarHBondContact O-CD2 3.37Å; L130-V162 HydrophobicContact CB-CG2 3.7Å; L130-V162 HydrophobicContact CD1-CG1 3.55Å; L130-V162 HydrophobicContact CD1-CG2 4.17Å; L130-C208 HydrophobicContact CD2-CB 3.71Å; L130-C208 HydrophobicContact CG-CB 4.38Å
131	L	91.6	Very high	91	Very high	93 Å²	93	48.1 Å²	48.1	49%	0.487	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-0.8	178.7	-68.7	167.7	0	0	0	114	E127 Q129 S133 L157 G160 V162	E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 WeakPolarHBondContact O-CD1 3.23Å; E127-L131 VanDerWaalsContact O-CG 3.23Å; E127-L131 WeakPolarHBondContact O-CG 3.27Å; E127-L131 PolarHBondContact O-N 2.87Å; Q129-L131 VanDerWaalsContact C-N 3.35Å; Q129-L131 PolarHBondContact O-N 2.83Å; L131-S133 PolarHBondContact O-N 2.82Å; L131-L157 HydrophobicContact CD2-CD1 3.84Å; L131-G160 VanDerWaalsContact CD2-O 3.27Å; L131-G160 WeakPolarHBondContact CD2-O 3.34Å; L131-V162 HydrophobicContact CD2-CG2 4.21Å; L131-V162 HydrophobicContact CG-CG2 3.99Å
132	Y	90.1	Very high	91.5	Very high	84 Å²	84	46.7 Å²	46.7	33%	0.329	23%	0.234	S	C	.	.	S	Bend	trans	-57.4	132	171.8	-173.5	-112.6	0	0	0	111.1	Q129 L130 E134 N135 L209 I211	Q129-Y132 VanDerWaalsContact O-CB 3.24Å; Q129-Y132 WeakPolarHBondContact O-CB 3.39Å; Q129-Y132 PolarHBondContact O-N 2.79Å; L130-Y132 PolarHBondContact O-N 3.07Å; Y132-E134 HydrophobicContact CD1-CB 3.81Å; Y132-E134 HydrophobicContact CD1-CG 4.26Å; Y132-E134 HydrophobicContact CE1-CB 3.6Å; Y132-E134 HydrophobicContact CE1-CG 3.59Å; Y132-E134 PolarHBondContact O-N 3.16Å; Y132-E134 PolarHBondContact OH-OE1 2.96Å; Y132-N135 WeakPolarHBondContact O-CB 3.25Å; Y132-N135 PolarHBondContact O-N 2.6Å; Y132-L209 HydrophobicContact CD1-CD1 4.11Å; Y132-L209 HydrophobicContact CE1-CD1 4.28Å; Y132-I211 HydrophobicContact CD1-CG2 3.71Å; Y132-I211 HydrophobicContact CD2-CD1 3.91Å; Y132-I211 HydrophobicContact CD2-CG2 4.32Å; Y132-I211 HydrophobicContact CE1-CG2 3.89Å; Y132-I211 HydrophobicContact CE2-CG2 4.49Å; Y132-I211 HydrophobicContact CG-CD1 4.03Å; Y132-I211 HydrophobicContact CG-CG2 3.95Å
133	S	86.4	Confident	92	Very high	100 Å²	100	43.7 Å²	43.7	70%	0.699	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.6	-165.6	56.5	0	0	0	0	115	L131	L131-S133 PolarHBondContact O-N 2.82Å
134	E	91.7	Very high	92.4	Very high	114 Å²	114	44.9 Å²	44.9	53%	0.533	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.5	175.4	-67.1	-177.3	-145.7	0	0	113.4	Y132 K136 L209	Y132-E134 HydrophobicContact CD1-CB 3.81Å; Y132-E134 HydrophobicContact CD1-CG 4.26Å; Y132-E134 HydrophobicContact CE1-CB 3.6Å; Y132-E134 HydrophobicContact CE1-CG 3.59Å; Y132-E134 PolarHBondContact O-N 3.16Å; Y132-E134 PolarHBondContact OH-OE1 2.96Å; E134-K136 WeakPolarHBondContact O-CE 3.48Å; E134-L209 HydrophobicContact CB-CD1 3.63Å
135	N	94.1	Very high	92.7	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.08	22%	0.218	C	C	.	.			trans	-64.2	151.4	170.8	-71.2	-48.3	0	0	0	110.2	Q129 L130 Y132 A139 L157 L209	Q129-N135 PolarHBondContact O-ND2 3.4Å; L130-N135 WeakPolarHBondContact O-CB 3.36Å; L130-N135 PolarHBondContact O-ND2 3.34Å; L130-N135 VanDerWaalsContact O-ND2 3.13Å; Y132-N135 WeakPolarHBondContact O-CB 3.25Å; Y132-N135 PolarHBondContact O-N 2.6Å; N135-A139 HydrophobicContact CB-CB 3.86Å; N135-L157 HydrophobicContact CB-CD2 4.06Å; N135-L209 PolarHBondContact OD1-N 3.46Å
136	K	95.8	Very high	92.4	Very high	145 Å²	145	45.4 Å²	45.4	63%	0.63	23%	0.228	S	C	*	.			trans	-118.7	159.4	179.3	-55.5	-60.4	168.6	-158.9	0	109.6	E134 G138 A139	E134-K136 WeakPolarHBondContact O-CE 3.48Å; K136-G138 PolarHBondContact O-N 3.44Å; K136-A139 WeakPolarHBondContact O-CB 3.31Å; K136-A139 PolarHBondContact O-N 3.28Å
137	T	96.7	Very high	91.6	Very high	85 Å²	85	48.1 Å²	48.1	52%	0.521	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	133.4	171	-63.1	0	0	0	0	110.8	V202	T137-V202 HydrophobicContact CG2-CG1 4.48Å; T137-V202 HydrophobicContact CG2-CG2 4.07Å
138	G	96.9	Very high	90.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-8.2	-170.7	0	0	0	0	0	114.3	K136 F140 L157 G205	K136-G138 PolarHBondContact O-N 3.44Å; G138-F140 PolarHBondContact O-N 3.46Å; G138-L157 PolarHBondContact N-O 3.23Å; G138-G205 WeakPolarHBondContact O-CA 3.48Å; G138-G205 PolarHBondContact O-N 2.91Å
139	A	98.1	Very high	90.4	Very high	3 Å²	3	56.5 Å²	56.5	3%	0.025	28%	0.284	C	S	.	.			trans	-57.1	137.7	172.1	0	0	0	0	0	110.3	L130 N135 K136 V156 L157 K206	L130-A139 HydrophobicContact CD2-CB 4.12Å; L130-A139 WeakPolarHBondContact CD2-O 3.35Å; N135-A139 HydrophobicContact CB-CB 3.86Å; K136-A139 WeakPolarHBondContact O-CB 3.31Å; K136-A139 PolarHBondContact O-N 3.28Å; A139-V156 WeakPolarHBondContact O-CA 3.44Å; A139-L157 HydrophobicContact CB-CB 4.3Å; A139-L157 HydrophobicContact CB-CD2 4.49Å; A139-L157 PolarHBondContact O-N 3.43Å; A139-K206 VanDerWaalsContact CA-O 3.28Å; A139-K206 WeakPolarHBondContact CA-O 3.3Å
140	F	98.4	Very high	89.8	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.2	-171.7	76.4	-78.5	0	0	0	113	W116 G138 L154 S155 V156 V190 L204 G205 K206 P207 C208	W116-F140 HydrophobicContact CB-CD2 4.28Å; W116-F140 HydrophobicContact CB-CE2 3.5Å; W116-F140 HydrophobicContact CB-CZ 3.77Å; W116-F140 AromaticContact CG-CE2 3.93Å; W116-F140 HydrophobicContact CG-CE2 3.93Å; W116-F140 HydrophobicContact CG-CZ 4.14Å; G138-F140 PolarHBondContact O-N 3.46Å; F140-L154 HydrophobicContact CB-CD1 4.22Å; F140-L154 HydrophobicContact CD2-CD1 3.82Å; F140-L154 HydrophobicContact CG-CD1 4.43Å; F140-S155 CarbonylContact C-O 3.41Å; F140-S155 WeakPolarHBondContact CA-O 3.29Å; F140-S155 WeakPolarHBondContact CB-O 3.17Å; F140-V156 HydrophobicContact CB-CG2 4.24Å; F140-V190 HydrophobicContact CE2-CG1 3.85Å; F140-V190 HydrophobicContact CE2-CG2 3.98Å; F140-V190 HydrophobicContact CZ-CG1 3.54Å; F140-L204 HydrophobicContact CB-CD2 3.79Å; F140-L204 HydrophobicContact CD1-CB 3.8Å; F140-L204 HydrophobicContact CD1-CD1 4.5Å; F140-L204 HydrophobicContact CD1-CD2 4.23Å; F140-L204 HydrophobicContact CD1-CG 4.38Å; F140-L204 HydrophobicContact CD2-CD1 3.99Å; F140-L204 HydrophobicContact CD2-CD2 4.27Å; F140-L204 HydrophobicContact CE1-CB 3.93Å; F140-L204 HydrophobicContact CE2-CD1 4.03Å; F140-L204 HydrophobicContact CG-CB 4.23Å; F140-L204 HydrophobicContact CG-CD1 4.24Å; F140-L204 HydrophobicContact CG-CD2 3.84Å; F140-L204 HydrophobicContact CG-CG 4.31Å; F140-L204 HydrophobicContact CZ-CB 4.45Å; F140-L204 HydrophobicContact CZ-CD1 4.32Å; F140-G205 WeakPolarHBondContact CE1-O 3.14Å; F140-K206 PolarHBondContact N-O 3.46Å; F140-P207 HydrophobicContact CE1-CG 4.45Å; F140-P207 HydrophobicContact CZ-CG 4.48Å; F140-P207 CarbonylContact O-C 3.57Å; F140-C208 WeakPolarHBondContact O-CB 3.14Å; F140-C208 PolarHBondContact O-N 3.33Å
141	L	97.8	Very high	89.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.6	167.8	61	81.9	0	0	0	110.5	W116 F118 I121 A126 L130 R143 S155 C208	W116-L141 CarbonylContact O-C 3.5Å; W116-L141 WeakPolarHBondContact O-CA 3.45Å; F118-L141 HydrophobicContact CD1-CD2 4.09Å; F118-L141 HydrophobicContact CD2-CB 3.45Å; F118-L141 VanDerWaalsContact CD2-CB 3.45Å; F118-L141 HydrophobicContact CD2-CD2 4.23Å; F118-L141 HydrophobicContact CD2-CG 4.34Å; F118-L141 HydrophobicContact CE1-CD2 4.16Å; F118-L141 HydrophobicContact CE2-CB 3.62Å; F118-L141 HydrophobicContact CE2-CD2 4.33Å; F118-L141 HydrophobicContact CG-CB 4.08Å; F118-L141 HydrophobicContact CG-CD2 4.12Å; F118-L141 HydrophobicContact CZ-CB 4.34Å; F118-L141 HydrophobicContact CZ-CD2 4.29Å; I121-L141 HydrophobicContact CD1-CD1 3.93Å; I121-L141 HydrophobicContact CD1-CD2 3.92Å; A126-L141 HydrophobicContact CB-CD1 3.86Å; A126-L141 HydrophobicContact CB-CD2 4Å; A126-L141 HydrophobicContact CB-CG 4.42Å; L130-L141 HydrophobicContact CD1-CD2 4.19Å; L130-L141 HydrophobicContact CD1-CG 4.17Å; L130-L141 HydrophobicContact CG-CD2 4.03Å; L130-L141 HydrophobicContact CG-CG 4.41Å; L141-R143 HydrophobicContact CD1-CB 4.13Å; L141-R143 HydrophobicContact CD1-CG 4.16Å; L141-S155 PolarHBondContact N-O 3.27Å; L141-S155 PolarHBondContact O-N 3.26Å; L141-C208 HydrophobicContact CB-CB 4.06Å; L141-C208 HydrophobicContact CD2-CB 4.03Å
142	I	97.4	Very high	89.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.3	167.7	-60.2	-177	0	0	0	108	W116 F117 F118 F152 S153 L154 I167 L186 F189 V190	W116-I142 HydrophobicContact CE3-CB 3.72Å; W116-I142 HydrophobicContact CE3-CD1 3.69Å; W116-I142 HydrophobicContact CE3-CG1 3.8Å; W116-I142 HydrophobicContact CH2-CD1 4.45Å; W116-I142 HydrophobicContact CZ3-CB 3.82Å; W116-I142 HydrophobicContact CZ3-CD1 3.59Å; W116-I142 HydrophobicContact CZ3-CG1 4.05Å; W116-I142 HydrophobicContact CZ3-CG2 4.3Å; W116-I142 PolarHBondContact O-N 2.96Å; F117-I142 WeakPolarHBondContact CA-O 3.27Å; F117-I142 HydrophobicContact CD2-CB 4.42Å; F117-I142 HydrophobicContact CD2-CG2 4.24Å; F117-I142 WeakPolarHBondContact CD2-O 3.41Å; F118-I142 PolarHBondContact N-O 3.06Å; I142-F152 HydrophobicContact CG2-CB 3.94Å; I142-F152 HydrophobicContact CG2-CD1 4.25Å; I142-F152 HydrophobicContact CG2-CG 4.37Å; I142-S153 WeakPolarHBondContact CA-O 3.45Å; I142-L154 HydrophobicContact CG1-CD1 3.95Å; I142-I167 HydrophobicContact CD1-CD1 3.75Å; I142-I167 HydrophobicContact CG1-CD1 4.12Å; I142-I167 HydrophobicContact CG2-CD1 3.93Å; I142-L186 HydrophobicContact CD1-CD2 4.36Å; I142-F189 HydrophobicContact CD1-CD1 4.25Å; I142-F189 HydrophobicContact CD1-CE1 4.32Å; I142-V190 HydrophobicContact CD1-CG2 3.69Å
143	R	95.4	Very high	89.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.3	179.4	61.1	-174.4	-179.9	89.7	-0.4	110	G119 I121 L141 E146 F152 S153 S155	G119-R143 CarbonylContact O-C 3.59Å; G119-R143 VanDerWaalsContact O-CA 3.26Å; G119-R143 WeakPolarHBondContact O-CA 3.22Å; G119-R143 WeakPolarHBondContact O-CB 3.45Å; I121-R143 HydrophobicContact CD1-CB 4.43Å; I121-R143 HydrophobicContact CG1-CB 3.67Å; I121-R143 HydrophobicContact CG1-CG 4.46Å; I121-R143 WeakPolarHBondContact O-CD 3.33Å; L141-R143 HydrophobicContact CD1-CB 4.13Å; L141-R143 HydrophobicContact CD1-CG 4.16Å; R143-E146 IonicContact CZ-OE2 3.55Å; R143-E146 IonicContact NH1-OE2 2.69Å; R143-E146 PolarHBondContact NH1-OE2 3.31Å; R143-E146 IonicContact NH2-OE2 2.71Å; R143-F152 CarbonylContact O-C 3.54Å; R143-F152 VanDerWaalsContact O-CA 3.3Å; R143-F152 WeakPolarHBondContact O-CA 3.43Å; R143-S153 PolarHBondContact N-O 2.79Å; R143-S153 PolarHBondContact O-N 2.88Å; R143-S155 PolarHBondContact NE-OG 3.31Å
144	E	93.4	Very high	90.4	Very high	87 Å²	87	47.7 Å²	47.7	41%	0.407	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	146.2	169.1	-63.2	176.9	-159	0	0	109.8	F117 G119 A120 F152	F117-E144 HydrophobicContact CZ-CG 4.24Å; G119-E144 PolarHBondContact O-N 3.1Å; A120-E144 HydrophobicContact CB-CB 4.41Å; E144-F152 HydrophobicContact CG-CD1 4.39Å; E144-F152 HydrophobicContact CG-CE1 4.18Å
145	S	86.8	Confident	90.7	Very high	11 Å²	11	42.2 Å²	42.2	8%	0.077	22%	0.22	C	C	.	.			trans	-76	124.7	178.7	-171	0	0	0	0	110.4	S147 Q148 E151	S145-S147 VanDerWaalsContact C-N 3.33Å; S145-S147 PolarHBondContact OG-OG 3.39Å; S145-Q148 WeakPolarHBondContact CB-O 3.34Å; S145-E151 WeakPolarHBondContact CB-O 3.3Å; S145-E151 PolarHBondContact N-O 3.48Å
146	E	77.3	Confident	90.9	Very high	82 Å²	82	41.5 Å²	41.5	38%	0.383	22%	0.216	S	C	.	.	S	Bend	trans	-63.7	-40.2	175	-70.6	155.6	131.6	0	0	111.2	R122 R123 R143	R122-E146 WeakPolarHBondContact CA-OE1 3.42Å; R122-E146 WeakPolarHBondContact CB-OE1 3.32Å; R122-E146 WeakPolarHBondContact CG-OE1 3.5Å; R123-E146 VanDerWaalsContact CB-OE2 3.28Å; R123-E146 WeakPolarHBondContact CB-OE2 3.49Å; R123-E146 VanDerWaalsContact N-CD 3.3Å; R123-E146 PolarHBondContact N-OE1 3.33Å; R123-E146 PolarHBondContact N-OE2 3.49Å; R123-E146 VanDerWaalsContact N-OE2 3.15Å; R143-E146 IonicContact CZ-OE2 3.55Å; R143-E146 IonicContact NH1-OE2 2.69Å; R143-E146 PolarHBondContact NH1-OE2 3.31Å; R143-E146 IonicContact NH2-OE2 2.71Å
147	S	73.8	Confident	90.9	Very high	58 Å²	58	35.2 Å²	35.2	41%	0.406	19%	0.189	S	C	.	.	S	Bend	trans	-84.4	-12.1	-173.2	59	0	0	0	0	114.7	S145	S145-S147 VanDerWaalsContact C-N 3.33Å; S145-S147 PolarHBondContact OG-OG 3.39Å
148	Q	75.8	Confident	90.9	Very high	92 Å²	92	33 Å²	33	43%	0.43	17%	0.174	S	C	.	.	S	Bend	trans	-153.1	114.7	179.3	-170.8	169.4	-26	0	0	112.3	S145 G150 E151	S145-Q148 WeakPolarHBondContact CB-O 3.34Å; Q148-G150 PolarHBondContact O-N 2.86Å; Q148-E151 HydrophobicContact CB-CB 4.46Å; Q148-E151 HydrophobicContact CB-CG 4.37Å; Q148-E151 VanDerWaalsContact CD-CD 3.45Å; Q148-E151 HydrophobicContact CG-CG 4.07Å; Q148-E151 PolarHBondContact NE2-OE1 2.94Å; Q148-E151 PolarHBondContact O-N 3.35Å
149	K	76.6	Confident	90.6	Very high	209 Å²	209	36 Å²	36	91%	0.909	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	130.1	178.3	-168.5	174	-177.2	175.1	0	111.3	E151	K149-E151 VanDerWaalsContact C-N 3.34Å
150	G	78.2	Confident	90.2	Very high	50 Å²	50	38.4 Å²	38.4	52%	0.515	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-2.6	178	0	0	0	0	0	115.2	Q148	Q148-G150 PolarHBondContact O-N 2.86Å
151	E	87.8	Confident	89.9	Confident	20 Å²	20	42.6 Å²	42.6	9%	0.093	26%	0.256	C	S	.	.			trans	-99.1	167.2	168.3	-65.2	-164.6	160.3	0	0	111.7	S145 Q148 K149 R166	S145-E151 WeakPolarHBondContact CB-O 3.3Å; S145-E151 PolarHBondContact N-O 3.48Å; Q148-E151 HydrophobicContact CB-CB 4.46Å; Q148-E151 HydrophobicContact CB-CG 4.37Å; Q148-E151 VanDerWaalsContact CD-CD 3.45Å; Q148-E151 HydrophobicContact CG-CG 4.07Å; Q148-E151 PolarHBondContact NE2-OE1 2.94Å; Q148-E151 PolarHBondContact O-N 3.35Å; K149-E151 VanDerWaalsContact C-N 3.34Å; E151-R166 IonicContact OE2-CZ 3.56Å; E151-R166 IonicContact OE2-NE 3.49Å; E151-R166 PolarHBondContact OE2-NE 3.29Å; E151-R166 IonicContact OE2-NH2 3.67Å; E151-R166 PolarHBondContact OE2-NH2 2.94Å
152	F	94.3	Very high	89.7	Confident	26 Å²	26	43.4 Å²	43.4	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	158.6	-179	-58.9	-85.3	0	0	0	111.1	L111 F117 I142 R143 E144 I167 F175 L186	L111-F152 HydrophobicContact CD2-CE1 3.94Å; L111-F152 HydrophobicContact CD2-CZ 4.04Å; F117-F152 AromaticContact CE2-CD1 3.9Å; F117-F152 HydrophobicContact CE2-CD1 3.9Å; F117-F152 AromaticContact CE2-CE1 3.71Å; F117-F152 HydrophobicContact CE2-CE1 3.71Å; F117-F152 HydrophobicContact CZ-CE1 4.07Å; I142-F152 HydrophobicContact CG2-CB 3.94Å; I142-F152 HydrophobicContact CG2-CD1 4.25Å; I142-F152 HydrophobicContact CG2-CG 4.37Å; R143-F152 CarbonylContact O-C 3.54Å; R143-F152 VanDerWaalsContact O-CA 3.3Å; R143-F152 WeakPolarHBondContact O-CA 3.43Å; E144-F152 HydrophobicContact CG-CD1 4.39Å; E144-F152 HydrophobicContact CG-CE1 4.18Å; F152-I167 HydrophobicContact CB-CB 4.03Å; F152-I167 HydrophobicContact CB-CD1 4.1Å; F152-I167 HydrophobicContact CB-CG1 4.46Å; F152-I167 PolarHBondContact N-O 3.31Å; F152-I167 WeakPolarHBondContact O-CA 3.41Å; F152-I167 PolarHBondContact O-N 3.44Å; F152-F175 HydrophobicContact CD2-CD1 4.3Å; F152-F175 AromaticContact CD2-CE1 3.89Å; F152-F175 HydrophobicContact CD2-CE1 3.89Å; F152-F175 AromaticContact CE2-CE1 3.68Å; F152-F175 HydrophobicContact CE2-CE1 3.68Å; F152-F175 HydrophobicContact CE2-CZ 4.45Å; F152-L186 HydrophobicContact CD1-CD1 4.41Å; F152-L186 HydrophobicContact CD2-CD1 4.22Å; F152-L186 HydrophobicContact CE1-CD1 4.4Å; F152-L186 HydrophobicContact CE2-CD1 4.24Å; F152-L186 HydrophobicContact CG-CD1 4.32Å; F152-L186 HydrophobicContact CZ-CD1 4.31Å
153	S	95.3	Very high	89.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	171.6	-73.7	0	0	0	0	110.1	I142 R143 Y165	I142-S153 WeakPolarHBondContact CA-O 3.45Å; R143-S153 PolarHBondContact N-O 2.79Å; R143-S153 PolarHBondContact O-N 2.88Å; S153-Y165 CarbonylContact C-O 3.51Å; S153-Y165 WeakPolarHBondContact CA-O 3.37Å
154	L	96.9	Very high	89.4	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.6	168.7	171.9	70.2	0	0	0	108.6	F140 I142 V156 H164 Y165 I167 F189 L200 L204	F140-L154 HydrophobicContact CB-CD1 4.22Å; F140-L154 HydrophobicContact CD2-CD1 3.82Å; F140-L154 HydrophobicContact CG-CD1 4.43Å; I142-L154 HydrophobicContact CG1-CD1 3.95Å; L154-V156 HydrophobicContact CD1-CG2 4.02Å; L154-V156 HydrophobicContact CD2-CG2 3.87Å; L154-V156 HydrophobicContact CG-CG2 3.66Å; L154-H164 CarbonylContact O-C 3.5Å; L154-H164 WeakPolarHBondContact O-CA 3.43Å; L154-Y165 HydrophobicContact CD2-CD2 4.18Å; L154-Y165 HydrophobicContact CG-CD2 4.48Å; L154-Y165 PolarHBondContact N-O 2.85Å; L154-Y165 PolarHBondContact O-N 3.13Å; L154-I167 HydrophobicContact CB-CD1 4.03Å; L154-I167 HydrophobicContact CB-CG1 4.1Å; L154-F189 HydrophobicContact CD2-CE1 4.11Å; L154-F189 HydrophobicContact CD2-CZ 4.21Å; L154-L200 HydrophobicContact CD2-CD1 4Å; L154-L200 HydrophobicContact CD2-CD2 3.96Å; L154-L204 HydrophobicContact CD1-CD1 4.38Å; L154-L204 HydrophobicContact CD1-CD2 4.18Å; L154-L204 HydrophobicContact CD2-CD2 4.3Å
155	S	97.5	Very high	89.4	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.4	173.4	-58	0	0	0	0	109.2	F140 L141 R143 K163 H164	F140-S155 CarbonylContact C-O 3.41Å; F140-S155 WeakPolarHBondContact CA-O 3.29Å; F140-S155 WeakPolarHBondContact CB-O 3.17Å; L141-S155 PolarHBondContact N-O 3.27Å; L141-S155 PolarHBondContact O-N 3.26Å; R143-S155 PolarHBondContact NE-OG 3.31Å; S155-K163 CarbonylContact C-O 3.59Å; S155-K163 WeakPolarHBondContact CA-O 3.35Å; S155-H164 PolarHBondContact OG-CE1 2.62Å; S155-H164 VanDerWaalsContact OG-CE1 3.29Å; S155-H164 PolarHBondContact OG-ND1 3.44Å
156	V	97.9	Very high	89.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.8	-174	-169	0	0	0	0	110.6	A139 F140 L154 V162 K163 Y165 V202 L204	A139-V156 WeakPolarHBondContact O-CA 3.44Å; F140-V156 HydrophobicContact CB-CG2 4.24Å; L154-V156 HydrophobicContact CD1-CG2 4.02Å; L154-V156 HydrophobicContact CD2-CG2 3.87Å; L154-V156 HydrophobicContact CG-CG2 3.66Å; V156-V162 CarbonylContact O-C 3.5Å; V156-V162 WeakPolarHBondContact O-CA 3.41Å; V156-K163 PolarHBondContact N-O 2.78Å; V156-K163 PolarHBondContact O-N 3.09Å; V156-Y165 HydrophobicContact CG2-CD2 4.27Å; V156-Y165 HydrophobicContact CG2-CE2 4.2Å; V156-V202 HydrophobicContact CG1-CG1 3.7Å; V156-L204 HydrophobicContact CG1-CD2 4.18Å; V156-L204 HydrophobicContact CG2-CD2 3.75Å
157	L	97.6	Very high	90.4	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.5	173.1	-179.1	69.4	0	0	0	110.7	L130 L131 N135 G138 A139 V162	L130-L157 HydrophobicContact CB-CB 4.46Å; L130-L157 HydrophobicContact CD2-CB 4.34Å; L130-L157 WeakPolarHBondContact O-CD2 3.37Å; L131-L157 HydrophobicContact CD2-CD1 3.84Å; N135-L157 HydrophobicContact CB-CD2 4.06Å; G138-L157 PolarHBondContact N-O 3.23Å; A139-L157 HydrophobicContact CB-CB 4.3Å; A139-L157 HydrophobicContact CB-CD2 4.49Å; A139-L157 PolarHBondContact O-N 3.43Å; L157-V162 HydrophobicContact CD1-CG2 4.04Å
158	D	96.3	Very high	91	Very high	39 Å²	39	43.1 Å²	43.1	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	117.4	177.2	179	33.6	0	0	0	110.7	G160 V161 K163 C201 V202	D158-G160 VanDerWaalsContact C-N 3.25Å; D158-G160 PolarHBondContact O-N 2.89Å; D158-V161 PolarHBondContact N-O 3.32Å; D158-V161 PolarHBondContact O-N 2.74Å; D158-V161 VanDerWaalsContact O-O 3.05Å; D158-K163 HydrophobicContact CB-CD 4.49Å; D158-K163 IonicContact OD2-NZ 2.79Å; D158-K163 PolarHBondContact OD2-NZ 2.87Å; D158-C201 HydrophobicContact CB-CB 4.29Å; D158-C201 WeakPolarHBondContact OD2-CB 3.35Å; D158-V202 HydrophobicContact CB-CG1 4.08Å
159	G	90.8	Very high	91.5	Very high	64 Å²	64	45.7 Å²	45.7	66%	0.66	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	31.1	177.1	0	0	0	0	0	114.8	V161	G159-V161 VanDerWaalsContact C-N 3.29Å
160	G	89.4	Confident	91.9	Very high	53 Å²	53	38.6 Å²	38.6	55%	0.546	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	6.9	-177.1	0	0	0	0	0	114.5	L131 D158	L131-G160 VanDerWaalsContact CD2-O 3.27Å; L131-G160 WeakPolarHBondContact CD2-O 3.34Å; D158-G160 VanDerWaalsContact C-N 3.25Å; D158-G160 PolarHBondContact O-N 2.89Å
161	V	91.7	Very high	92.1	Very high	91 Å²	91	44.7 Å²	44.7	55%	0.552	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.7	175.2	-178.5	0	0	0	0	108.9	D158 G159	D158-V161 PolarHBondContact N-O 3.32Å; D158-V161 PolarHBondContact O-N 2.74Å; D158-V161 VanDerWaalsContact O-O 3.05Å; G159-V161 VanDerWaalsContact C-N 3.29Å
162	V	94.3	Very high	91.8	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.6	175.9	178.1	0	0	0	0	109.6	E127 L130 L131 V156 L157	E127-V162 HydrophobicContact CB-CG2 4.48Å; E127-V162 HydrophobicContact CG-CB 3.91Å; E127-V162 HydrophobicContact CG-CG1 3.91Å; E127-V162 HydrophobicContact CG-CG2 4.39Å; L130-V162 HydrophobicContact CB-CG2 3.7Å; L130-V162 HydrophobicContact CD1-CG1 3.55Å; L130-V162 HydrophobicContact CD1-CG2 4.17Å; L131-V162 HydrophobicContact CD2-CG2 4.21Å; L131-V162 HydrophobicContact CG-CG2 3.99Å; V156-V162 CarbonylContact O-C 3.5Å; V156-V162 WeakPolarHBondContact O-CA 3.41Å; L157-V162 HydrophobicContact CD1-CG2 4.04Å
163	K	93.6	Very high	91	Very high	53 Å²	53	53.6 Å²	53.6	23%	0.23	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.3	177.7	-69	171.7	-179.9	167	0	109.9	S155 V156 D158 Y165 C201	S155-K163 CarbonylContact C-O 3.59Å; S155-K163 WeakPolarHBondContact CA-O 3.35Å; V156-K163 PolarHBondContact N-O 2.78Å; V156-K163 PolarHBondContact O-N 3.09Å; D158-K163 HydrophobicContact CB-CD 4.49Å; D158-K163 IonicContact OD2-NZ 2.79Å; D158-K163 PolarHBondContact OD2-NZ 2.87Å; K163-Y165 HydrophobicContact CB-CE2 3.96Å; K163-C201 HydrophobicContact CD-CB 3.31Å; K163-C201 VanDerWaalsContact CD-SG 3.54Å; K163-C201 VanDerWaalsContact NZ-CB 3.3Å
164	H	93.1	Very high	90.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.4	-175.5	-57.2	-94.7	0	0	0	110.8	R123 E127 L154 S155 Y497 S498	R123-H164 WeakPolarHBondContact CG-CE1 3.11Å; R123-H164 VanDerWaalsContact CZ-CD2 3.42Å; R123-H164 PolarHBondContact NE-CD2 3.35Å; R123-H164 VanDerWaalsContact NE-CD2 3.34Å; R123-H164 PolarHBondContact NE-NE2 3.15Å; R123-H164 PolarHBondContact NH2-CD2 3.31Å; R123-H164 VanDerWaalsContact NH2-CD2 3.33Å; E127-H164 WeakPolarHBondContact CG-NE2 3.42Å; E127-H164 IonicContact OE1-CD2 2.86Å; E127-H164 IonicContact OE1-CE1 2.79Å; E127-H164 IonicContact OE1-NE2 2.7Å; E127-H164 PolarHBondContact OE1-NE2 2.79Å; L154-H164 CarbonylContact O-C 3.5Å; L154-H164 WeakPolarHBondContact O-CA 3.43Å; S155-H164 PolarHBondContact OG-CE1 2.62Å; S155-H164 VanDerWaalsContact OG-CE1 3.29Å; S155-H164 PolarHBondContact OG-ND1 3.44Å; H164-Y497 HydrophobicContact CB-CD1 4.48Å; H164-S498 PolarHBondContact O-N 3.19Å
165	Y	93.1	Very high	90.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.2	179.3	-57.3	-91.5	0	0	0	109.5	S153 L154 V156 K163 L177 L200 C201	S153-Y165 CarbonylContact C-O 3.51Å; S153-Y165 WeakPolarHBondContact CA-O 3.37Å; L154-Y165 HydrophobicContact CD2-CD2 4.18Å; L154-Y165 HydrophobicContact CG-CD2 4.48Å; L154-Y165 PolarHBondContact N-O 2.85Å; L154-Y165 PolarHBondContact O-N 3.13Å; V156-Y165 HydrophobicContact CG2-CD2 4.27Å; V156-Y165 HydrophobicContact CG2-CE2 4.2Å; K163-Y165 HydrophobicContact CB-CE2 3.96Å; Y165-L177 HydrophobicContact CG-CD1 4.49Å; Y165-L200 HydrophobicContact CD1-CD2 3.81Å; Y165-L200 HydrophobicContact CD2-CD2 3.7Å; Y165-L200 HydrophobicContact CE1-CD2 3.75Å; Y165-L200 HydrophobicContact CE2-CD2 3.66Å; Y165-L200 HydrophobicContact CG-CD2 3.77Å; Y165-C201 VanDerWaalsContact OH-CB 3.27Å; Y165-C201 WeakPolarHBondContact OH-CB 3.38Å; Y165-C201 PolarHBondContact OH-N 2.95Å; Y165-C201 PolarHBondContact OH-SG 3.03Å
166	R	90.9	Very high	90.1	Very high	59 Å²	59	55.8 Å²	55.8	22%	0.223	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.4	179.4	-167.8	168.9	-179.9	158.2	6.6	110.3	E151 R168 L177 Y497	E151-R166 IonicContact OE2-CZ 3.56Å; E151-R166 IonicContact OE2-NE 3.49Å; E151-R166 PolarHBondContact OE2-NE 3.29Å; E151-R166 IonicContact OE2-NH2 3.67Å; E151-R166 PolarHBondContact OE2-NH2 2.94Å; R166-R168 HydrophobicContact CG-CG 4.36Å; R166-L177 WeakPolarHBondContact O-CD2 3.41Å; R166-Y497 HydrophobicContact CB-CD1 4.29Å
167	I	92.8	Very high	89.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.7	173.6	-48.8	176.3	0	0	0	107.4	I142 F152 L154 F175 L177 L186 F189	I142-I167 HydrophobicContact CD1-CD1 3.75Å; I142-I167 HydrophobicContact CG1-CD1 4.12Å; I142-I167 HydrophobicContact CG2-CD1 3.93Å; F152-I167 HydrophobicContact CB-CB 4.03Å; F152-I167 HydrophobicContact CB-CD1 4.1Å; F152-I167 HydrophobicContact CB-CG1 4.46Å; F152-I167 PolarHBondContact N-O 3.31Å; F152-I167 WeakPolarHBondContact O-CA 3.41Å; F152-I167 PolarHBondContact O-N 3.44Å; L154-I167 HydrophobicContact CB-CD1 4.03Å; L154-I167 HydrophobicContact CB-CG1 4.1Å; I167-F175 HydrophobicContact CG2-CB 3.95Å; I167-F175 HydrophobicContact CG2-CD1 4.18Å; I167-L177 HydrophobicContact CG1-CD2 4.01Å; I167-L186 HydrophobicContact CD1-CD2 4.1Å; I167-L186 HydrophobicContact CG2-CD2 4.11Å; I167-F189 HydrophobicContact CD1-CE1 3.96Å; I167-F189 HydrophobicContact CD1-CE2 4.43Å; I167-F189 HydrophobicContact CD1-CZ 3.92Å; I167-F189 HydrophobicContact CG1-CE1 4.44Å; I167-F189 HydrophobicContact CG1-CE2 4.25Å; I167-F189 HydrophobicContact CG1-CZ 3.9Å; I167-F189 HydrophobicContact CG2-CD2 4.45Å; I167-F189 HydrophobicContact CG2-CE2 4.12Å
168	R	87.9	Confident	89	Confident	115 Å²	115	57.5 Å²	57.5	43%	0.434	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	154.6	179.2	-63	-174.8	-170.1	-171.1	3.2	110.6	R166 F175 F176	R166-R168 HydrophobicContact CG-CG 4.36Å; R168-F175 WeakPolarHBondContact O-CA 3.29Å; R168-F176 HydrophobicContact CB-CD1 4.31Å; R168-F176 HydrophobicContact CB-CD2 4.38Å; R168-F176 HydrophobicContact CB-CE1 3.73Å; R168-F176 HydrophobicContact CB-CE2 3.83Å; R168-F176 HydrophobicContact CB-CZ 3.48Å; R168-F176 VanDerWaalsContact CB-CZ 3.48Å; R168-F176 HydrophobicContact CG-CE2 4.45Å; R168-F176 HydrophobicContact CG-CZ 4.4Å; R168-F176 PolarHBondContact N-O 2.96Å; R168-F176 WeakPolarHBondContact O-CD1 3.22Å; R168-F176 PolarHBondContact O-N 2.8Å
169	R	86.1	Confident	88.4	Confident	147 Å²	147	65.4 Å²	65.4	56%	0.555	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	141.8	175.4	-166.6	176.2	172.5	174.9	-1.4	109.8	G174	R169-G174 VanDerWaalsContact CA-O 3.31Å; R169-G174 WeakPolarHBondContact CA-O 3.44Å
170	L	84.9	Confident	88.1	Confident	59 Å²	59	72.4 Å²	72.4	31%	0.309	35%	0.348	S	S	.	.			trans	-85.2	152.9	169.8	-67.7	170.2	0	0	0	110.8	E172 G173 G174 F176 T182	L170-E172 PolarHBondContact O-N 3.38Å; L170-G173 PolarHBondContact O-N 3.19Å; L170-G174 PolarHBondContact N-O 2.91Å; L170-F176 HydrophobicContact CD1-CD1 4.44Å; L170-F176 HydrophobicContact CD2-CD1 4.04Å; L170-F176 HydrophobicContact CD2-CE1 3.46Å; L170-F176 VanDerWaalsContact CD2-CE1 3.46Å; L170-F176 HydrophobicContact CD2-CZ 4.18Å; L170-F176 HydrophobicContact CG-CD1 3.81Å; L170-F176 HydrophobicContact CG-CE1 3.63Å; L170-T182 HydrophobicContact CD1-CG2 3.73Å
171	D	83	Confident	88.1	Confident	178 Å²	178	75 Å²	75	95%	0.952	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.1	177.8	-59.7	-32.1	0	0	0	111.8	G173	D171-G173 PolarHBondContact O-N 3.17Å
172	E	80.6	Confident	88.2	Confident	201 Å²	201	74.1 Å²	74.1	94%	0.939	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	2.2	177.5	-60.7	-177.9	179.5	0	0	113.5	L170	L170-E172 PolarHBondContact O-N 3.38Å
173	G	78.5	Confident	88.2	Confident	32 Å²	32	74.3 Å²	74.3	33%	0.33	34%	0.336	S	S	.	.	S	Bend	trans	92.2	156.8	-172.1	0	0	0	0	0	113.2	L170 D171	L170-G173 PolarHBondContact O-N 3.19Å; D171-G173 PolarHBondContact O-N 3.17Å
174	G	87.4	Confident	88.2	Confident	10 Å²	10	75.2 Å²	75.2	10%	0.103	35%	0.349	C	S	.	.			trans	102.9	162.5	-177.2	0	0	0	0	0	114.5	R169 L170 F183	R169-G174 VanDerWaalsContact CA-O 3.31Å; R169-G174 WeakPolarHBondContact CA-O 3.44Å; L170-G174 PolarHBondContact N-O 2.91Å; G174-F183 CarbonylContact C-O 3.58Å; G174-F183 WeakPolarHBondContact CA-O 3.49Å
175	F	92.2	Very high	88.2	Confident	27 Å²	27	77.8 Å²	77.8	12%	0.118	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.6	-166.8	-57.3	-82.8	0	0	0	111.1	F152 I167 R168 T182 F183 L186	F152-F175 HydrophobicContact CD2-CD1 4.3Å; F152-F175 AromaticContact CD2-CE1 3.89Å; F152-F175 HydrophobicContact CD2-CE1 3.89Å; F152-F175 AromaticContact CE2-CE1 3.68Å; F152-F175 HydrophobicContact CE2-CE1 3.68Å; F152-F175 HydrophobicContact CE2-CZ 4.45Å; I167-F175 HydrophobicContact CG2-CB 3.95Å; I167-F175 HydrophobicContact CG2-CD1 4.18Å; R168-F175 WeakPolarHBondContact O-CA 3.29Å; F175-T182 CarbonylContact O-C 3.55Å; F175-T182 WeakPolarHBondContact O-CA 3.41Å; F175-F183 PolarHBondContact N-O 2.97Å; F175-F183 WeakPolarHBondContact O-CD2 3.44Å; F175-F183 PolarHBondContact O-N 2.65Å; F175-L186 HydrophobicContact CB-CD2 4.17Å; F175-L186 HydrophobicContact CD1-CD2 3.68Å; F175-L186 HydrophobicContact CD1-CG 4.07Å; F175-L186 HydrophobicContact CD2-CD2 4.26Å; F175-L186 HydrophobicContact CD2-CG 4.16Å; F175-L186 HydrophobicContact CE1-CD1 4.43Å; F175-L186 HydrophobicContact CE1-CD2 4.12Å; F175-L186 HydrophobicContact CE1-CG 4.04Å; F175-L186 HydrophobicContact CE2-CG 4.14Å; F175-L186 HydrophobicContact CG-CD2 3.75Å; F175-L186 HydrophobicContact CG-CG 4.12Å; F175-L186 HydrophobicContact CZ-CG 4.07Å
176	F	91.1	Very high	88.2	Confident	9 Å²	9	78 Å²	78	4%	0.039	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	154.9	176.4	65.9	-84.3	0	0	0	113.2	R168 L170 T178 R179 R181 T182	R168-F176 HydrophobicContact CB-CD1 4.31Å; R168-F176 HydrophobicContact CB-CD2 4.38Å; R168-F176 HydrophobicContact CB-CE1 3.73Å; R168-F176 HydrophobicContact CB-CE2 3.83Å; R168-F176 HydrophobicContact CB-CZ 3.48Å; R168-F176 VanDerWaalsContact CB-CZ 3.48Å; R168-F176 HydrophobicContact CG-CE2 4.45Å; R168-F176 HydrophobicContact CG-CZ 4.4Å; R168-F176 PolarHBondContact N-O 2.96Å; R168-F176 WeakPolarHBondContact O-CD1 3.22Å; R168-F176 PolarHBondContact O-N 2.8Å; L170-F176 HydrophobicContact CD1-CD1 4.44Å; L170-F176 HydrophobicContact CD2-CD1 4.04Å; L170-F176 HydrophobicContact CD2-CE1 3.46Å; L170-F176 VanDerWaalsContact CD2-CE1 3.46Å; L170-F176 HydrophobicContact CD2-CZ 4.18Å; L170-F176 HydrophobicContact CG-CD1 3.81Å; L170-F176 HydrophobicContact CG-CE1 3.63Å; F176-T178 VanDerWaalsContact CD2-C 3.45Å; F176-R179 HydrophobicContact CD2-CG 4.16Å; F176-R179 HydrophobicContact CE2-CG 3.6Å; F176-R179 HydrophobicContact CZ-CG 3.97Å; F176-R181 WeakPolarHBondContact CB-O 3.39Å; F176-T182 HydrophobicContact CB-CG2 4.18Å
177	L	88.8	Confident	88.4	Confident	20 Å²	20	78.6 Å²	78.6	11%	0.105	37%	0.373	C	S	.	.	S	Bend	trans	-91	-43	160.9	-65.5	-174.7	0	0	0	111.2	Y165 R166 I167 F189 Y193 L200	Y165-L177 HydrophobicContact CG-CD1 4.49Å; R166-L177 WeakPolarHBondContact O-CD2 3.41Å; I167-L177 HydrophobicContact CG1-CD2 4.01Å; L177-F189 HydrophobicContact CD1-CE2 4.42Å; L177-F189 HydrophobicContact CD1-CZ 4.04Å; L177-F189 HydrophobicContact CD2-CE2 4Å; L177-F189 HydrophobicContact CD2-CZ 3.81Å; L177-F189 HydrophobicContact CG-CE2 3.69Å; L177-F189 HydrophobicContact CG-CZ 3.69Å; L177-Y193 HydrophobicContact CD1-CE1 4.24Å; L177-Y193 HydrophobicContact CD1-CE2 3.98Å; L177-Y193 HydrophobicContact CG-CE2 4.24Å; L177-L200 HydrophobicContact CD1-CD2 3.45Å; L177-L200 VanDerWaalsContact CD1-CD2 3.45Å; L177-L200 HydrophobicContact CD1-CG 4.25Å
178	T	83.1	Confident	88.6	Confident	29 Å²	29	83 Å²	83	18%	0.178	39%	0.394	C	S	.	.	S	Bend	trans	-126.4	144	175.2	75.6	0	0	0	0	109.2	F176 R180 R181 A500	F176-T178 VanDerWaalsContact CD2-C 3.45Å; T178-R180 PolarHBondContact O-N 3.41Å; T178-R181 PolarHBondContact O-N 2.88Å; T178-R181 VanDerWaalsContact O-O 3.05Å; T178-A500 HydrophobicContact CG2-CB 3.88Å
179	R	82.9	Confident	88.9	Confident	205 Å²	205	77.5 Å²	77.5	77%	0.774	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-10.3	-179.2	-70.3	-172.9	177.1	-174.1	-1.5	114	F176 R181	F176-R179 HydrophobicContact CD2-CG 4.16Å; F176-R179 HydrophobicContact CE2-CG 3.6Å; F176-R179 HydrophobicContact CZ-CG 3.97Å; R179-R181 PolarHBondContact O-N 3.34Å
180	R	85.1	Confident	89.4	Confident	212 Å²	212	71.1 Å²	71.1	80%	0.8	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.8	175.4	-64.1	-177	-179.8	179.6	1.1	112.4	T178	T178-R180 PolarHBondContact O-N 3.41Å
181	R	89.1	Confident	90	Very high	106 Å²	106	70.8 Å²	70.8	40%	0.4	35%	0.354	S	S	.	.	S	Bend	trans	-143.9	118.2	-177.3	-162.9	168.9	-157.9	145.2	8	111.6	F176 T178 R179 F183 H192 D198	F176-R181 WeakPolarHBondContact CB-O 3.39Å; T178-R181 PolarHBondContact O-N 2.88Å; T178-R181 VanDerWaalsContact O-O 3.05Å; R179-R181 PolarHBondContact O-N 3.34Å; R181-F183 HydrophobicContact CG-CE1 4.27Å; R181-F183 HydrophobicContact CG-CE2 4.18Å; R181-F183 HydrophobicContact CG-CZ 3.71Å; R181-H192 PolarHBondContact NE-CE1 3.48Å; R181-H192 VanDerWaalsContact NE-CE1 3.29Å; R181-H192 PolarHBondContact NE-NE2 3.29Å; R181-H192 PolarHBondContact NH1-CE1 2.64Å; R181-H192 PolarHBondContact NH1-NE2 3.16Å; R181-H192 PolarHBondContact NH2-CE1 3.29Å; R181-H192 VanDerWaalsContact NH2-CE1 3.27Å; R181-H192 PolarHBondContact NH2-ND1 3.45Å; R181-D198 WeakPolarHBondContact CD-OD2 3.28Å; R181-D198 IonicContact CZ-OD2 2.91Å; R181-D198 IonicContact NE-OD2 3.68Å; R181-D198 IonicContact NH1-OD2 3.59Å; R181-D198 PolarHBondContact NH1-OD2 3.12Å
182	T	93.1	Very high	90.7	Very high	74 Å²	74	63.4 Å²	63.4	45%	0.454	31%	0.313	S	S	.	.			trans	-119	152.8	-176.3	58	0	0	0	0	110.1	L170 F175 F176	L170-T182 HydrophobicContact CD1-CG2 3.73Å; F175-T182 CarbonylContact O-C 3.55Å; F175-T182 WeakPolarHBondContact O-CA 3.41Å; F176-T182 HydrophobicContact CB-CG2 4.18Å
183	F	94.8	Very high	91.4	Very high	19 Å²	19	53.9 Å²	53.9	8%	0.083	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-132	142.8	-178.7	-54.3	-81.4	0	0	0	109.4	G174 F175 R181 T185 E188 F189 H192 Y193	G174-F183 CarbonylContact C-O 3.58Å; G174-F183 WeakPolarHBondContact CA-O 3.49Å; F175-F183 PolarHBondContact N-O 2.97Å; F175-F183 WeakPolarHBondContact O-CD2 3.44Å; F175-F183 PolarHBondContact O-N 2.65Å; R181-F183 HydrophobicContact CG-CE1 4.27Å; R181-F183 HydrophobicContact CG-CE2 4.18Å; R181-F183 HydrophobicContact CG-CZ 3.71Å; F183-T185 VanDerWaalsContact C-N 3.35Å; F183-E188 HydrophobicContact CB-CB 4.14Å; F183-E188 HydrophobicContact CD1-CB 4.22Å; F183-F189 HydrophobicContact CB-CB 4.07Å; F183-F189 HydrophobicContact CD2-CB 3.82Å; F183-F189 AromaticContact CD2-CD2 3.51Å; F183-F189 HydrophobicContact CD2-CD2 3.51Å; F183-F189 HydrophobicContact CD2-CE2 4.5Å; F183-F189 HydrophobicContact CD2-CG 4.08Å; F183-F189 HydrophobicContact CE2-CB 4.41Å; F183-F189 AromaticContact CE2-CD2 3.72Å; F183-F189 HydrophobicContact CE2-CD2 3.72Å; F183-F189 HydrophobicContact CE2-CE2 4.41Å; F183-F189 HydrophobicContact CE2-CG 4.35Å; F183-F189 HydrophobicContact CG-CB 3.88Å; F183-F189 HydrophobicContact CG-CD2 4.41Å; F183-H192 HydrophobicContact CD1-CB 4.35Å; F183-H192 HydrophobicContact CE1-CB 3.4Å; F183-H192 AromaticContact CE1-CD2 3.93Å; F183-H192 AromaticContact CE1-CG 3.58Å; F183-H192 HydrophobicContact CZ-CB 3.76Å; F183-H192 AromaticContact CZ-CD2 3.44Å; F183-H192 VanDerWaalsContact CZ-CD2 3.44Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.49Å; F183-H192 AromaticContact CZ-CG 3.61Å; F183-Y193 AromaticContact CE2-CE2 3.9Å; F183-Y193 HydrophobicContact CE2-CE2 3.9Å; F183-Y193 HydrophobicContact CZ-CE2 4.13Å
184	S	93.4	Very high	92.3	Very high	73 Å²	73	55.4 Å²	55.4	51%	0.51	27%	0.271	S	S	.	.	S	Bend	trans	-74.9	-31.1	179.6	70.2	0	0	0	0	111.8	E188	S184-E188 WeakPolarHBondContact CB-OE2 3.36Å; S184-E188 PolarHBondContact N-OE2 3.29Å; S184-E188 PolarHBondContact OG-OE1 3.39Å; S184-E188 VanDerWaalsContact OG-OE1 3.11Å; S184-E188 PolarHBondContact OG-OE2 2.78Å
185	T	93.2	Very high	92.8	Very high	55 Å²	55	62.4 Å²	62.4	34%	0.337	30%	0.299	S	S	.	.	S	Bend	trans	-132.8	158.2	-179.3	65.1	0	0	0	0	111.9	F183 N187 E188 F189	F183-T185 VanDerWaalsContact C-N 3.35Å; T185-N187 PolarHBondContact O-N 3.39Å; T185-E188 PolarHBondContact O-N 3.38Å; T185-E188 WeakPolarHBondContact OG1-CG 3.37Å; T185-E188 PolarHBondContact OG1-N 2.97Å; T185-F189 PolarHBondContact O-N 2.77Å; T185-F189 VanDerWaalsContact O-N 3.12Å
186	L	94.3	Very high	92.9	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-28	171.8	-71.4	174.2	0	0	0	112.1	L111 W116 I142 F152 I167 F175 F189 V190	L111-L186 HydrophobicContact CD1-CD1 3.8Å; L111-L186 HydrophobicContact CD2-CD1 3.97Å; W116-L186 HydrophobicContact CH2-CB 3.51Å; W116-L186 HydrophobicContact CH2-CD1 4.3Å; W116-L186 HydrophobicContact CZ2-CB 4.38Å; W116-L186 HydrophobicContact CZ3-CB 4.15Å; W116-L186 HydrophobicContact CZ3-CD1 4.34Å; I142-L186 HydrophobicContact CD1-CD2 4.36Å; F152-L186 HydrophobicContact CD1-CD1 4.41Å; F152-L186 HydrophobicContact CD2-CD1 4.22Å; F152-L186 HydrophobicContact CE1-CD1 4.4Å; F152-L186 HydrophobicContact CE2-CD1 4.24Å; F152-L186 HydrophobicContact CG-CD1 4.32Å; F152-L186 HydrophobicContact CZ-CD1 4.31Å; I167-L186 HydrophobicContact CD1-CD2 4.1Å; I167-L186 HydrophobicContact CG2-CD2 4.11Å; F175-L186 HydrophobicContact CB-CD2 4.17Å; F175-L186 HydrophobicContact CD1-CD2 3.68Å; F175-L186 HydrophobicContact CD1-CG 4.07Å; F175-L186 HydrophobicContact CD2-CD2 4.26Å; F175-L186 HydrophobicContact CD2-CG 4.16Å; F175-L186 HydrophobicContact CE1-CD1 4.43Å; F175-L186 HydrophobicContact CE1-CD2 4.12Å; F175-L186 HydrophobicContact CE1-CG 4.04Å; F175-L186 HydrophobicContact CE2-CG 4.14Å; F175-L186 HydrophobicContact CG-CD2 3.75Å; F175-L186 HydrophobicContact CG-CG 4.12Å; F175-L186 HydrophobicContact CZ-CG 4.07Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.39Å; L186-V190 WeakPolarHBondContact O-CB 3.45Å; L186-V190 VanDerWaalsContact O-CG2 3.32Å; L186-V190 WeakPolarHBondContact O-CG2 3.05Å; L186-V190 PolarHBondContact O-N 3.04Å
187	N	94.7	Very high	92.9	Very high	72 Å²	72	65.6 Å²	65.6	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-42.6	173.4	-64.8	83.5	0	0	0	112.1	E114 T185 V190 S191	E114-N187 PolarHBondContact OE1-ND2 3.44Å; E114-N187 PolarHBondContact OE2-ND2 3.36Å; T185-N187 PolarHBondContact O-N 3.39Å; N187-V190 PolarHBondContact O-N 3.43Å; N187-S191 VanDerWaalsContact O-CB 3.25Å; N187-S191 WeakPolarHBondContact O-CB 3.33Å; N187-S191 PolarHBondContact O-N 3.03Å
188	E	95.6	Very high	93	Very high	92 Å²	92	67.9 Å²	67.9	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-43	173.9	-75.9	176.5	178.8	0	0	111.6	F183 S184 T185 V190 S191 H192	F183-E188 HydrophobicContact CB-CB 4.14Å; F183-E188 HydrophobicContact CD1-CB 4.22Å; S184-E188 WeakPolarHBondContact CB-OE2 3.36Å; S184-E188 PolarHBondContact N-OE2 3.29Å; S184-E188 PolarHBondContact OG-OE1 3.39Å; S184-E188 VanDerWaalsContact OG-OE1 3.11Å; S184-E188 PolarHBondContact OG-OE2 2.78Å; T185-E188 PolarHBondContact O-N 3.38Å; T185-E188 WeakPolarHBondContact OG1-CG 3.37Å; T185-E188 PolarHBondContact OG1-N 2.97Å; E188-V190 PolarHBondContact O-N 2.86Å; E188-S191 PolarHBondContact O-N 2.7Å; E188-H192 WeakPolarHBondContact O-CB 3.45Å; E188-H192 PolarHBondContact O-N 2.84Å
189	F	95.8	Very high	93.1	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-54.8	-51.8	173.9	175.5	-78.3	0	0	0	111.4	I142 L154 I167 L177 F183 T185 L186 H192 Y193	I142-F189 HydrophobicContact CD1-CD1 4.25Å; I142-F189 HydrophobicContact CD1-CE1 4.32Å; L154-F189 HydrophobicContact CD2-CE1 4.11Å; L154-F189 HydrophobicContact CD2-CZ 4.21Å; I167-F189 HydrophobicContact CD1-CE1 3.96Å; I167-F189 HydrophobicContact CD1-CE2 4.43Å; I167-F189 HydrophobicContact CD1-CZ 3.92Å; I167-F189 HydrophobicContact CG1-CE1 4.44Å; I167-F189 HydrophobicContact CG1-CE2 4.25Å; I167-F189 HydrophobicContact CG1-CZ 3.9Å; I167-F189 HydrophobicContact CG2-CD2 4.45Å; I167-F189 HydrophobicContact CG2-CE2 4.12Å; L177-F189 HydrophobicContact CD1-CE2 4.42Å; L177-F189 HydrophobicContact CD1-CZ 4.04Å; L177-F189 HydrophobicContact CD2-CE2 4Å; L177-F189 HydrophobicContact CD2-CZ 3.81Å; L177-F189 HydrophobicContact CG-CE2 3.69Å; L177-F189 HydrophobicContact CG-CZ 3.69Å; F183-F189 HydrophobicContact CB-CB 4.07Å; F183-F189 HydrophobicContact CD2-CB 3.82Å; F183-F189 AromaticContact CD2-CD2 3.51Å; F183-F189 HydrophobicContact CD2-CD2 3.51Å; F183-F189 HydrophobicContact CD2-CE2 4.5Å; F183-F189 HydrophobicContact CD2-CG 4.08Å; F183-F189 HydrophobicContact CE2-CB 4.41Å; F183-F189 AromaticContact CE2-CD2 3.72Å; F183-F189 HydrophobicContact CE2-CD2 3.72Å; F183-F189 HydrophobicContact CE2-CE2 4.41Å; F183-F189 HydrophobicContact CE2-CG 4.35Å; F183-F189 HydrophobicContact CG-CB 3.88Å; F183-F189 HydrophobicContact CG-CD2 4.41Å; T185-F189 PolarHBondContact O-N 2.77Å; T185-F189 VanDerWaalsContact O-N 3.12Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.39Å; F189-H192 PolarHBondContact O-N 2.8Å; F189-Y193 HydrophobicContact CD1-CD2 4.02Å; F189-Y193 HydrophobicContact CD2-CD2 4.21Å; F189-Y193 AromaticContact CD2-CE2 3.96Å; F189-Y193 HydrophobicContact CD2-CE2 3.96Å; F189-Y193 AromaticContact CE1-CD2 3.78Å; F189-Y193 HydrophobicContact CE1-CD2 3.78Å; F189-Y193 HydrophobicContact CE1-CE2 4.18Å; F189-Y193 HydrophobicContact CE2-CD2 4.01Å; F189-Y193 AromaticContact CE2-CE2 3.58Å; F189-Y193 HydrophobicContact CE2-CE2 3.58Å; F189-Y193 HydrophobicContact CG-CD2 4.2Å; F189-Y193 HydrophobicContact CG-CE2 4.41Å; F189-Y193 AromaticContact CZ-CD2 3.75Å; F189-Y193 HydrophobicContact CZ-CD2 3.75Å; F189-Y193 AromaticContact CZ-CE2 3.67Å; F189-Y193 HydrophobicContact CZ-CE2 3.67Å; F189-Y193 WeakPolarHBondContact O-CD2 3.37Å; F189-Y193 PolarHBondContact O-N 2.92Å; F189-Y193 VanDerWaalsContact O-N 3.13Å
190	V	96.9	Very high	93.6	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-44.4	-179.6	169.5	0	0	0	0	111	W116 F140 I142 L186 N187 E188 H192 Y193 T194	W116-V190 HydrophobicContact CD2-CG2 3.98Å; W116-V190 HydrophobicContact CE3-CG2 4.22Å; W116-V190 HydrophobicContact CG-CG2 4.49Å; W116-V190 HydrophobicContact CH2-CG2 4.47Å; W116-V190 HydrophobicContact CZ2-CG2 4.21Å; W116-V190 HydrophobicContact CZ3-CG2 4.48Å; F140-V190 HydrophobicContact CE2-CG1 3.85Å; F140-V190 HydrophobicContact CE2-CG2 3.98Å; F140-V190 HydrophobicContact CZ-CG1 3.54Å; I142-V190 HydrophobicContact CD1-CG2 3.69Å; L186-V190 WeakPolarHBondContact O-CB 3.45Å; L186-V190 VanDerWaalsContact O-CG2 3.32Å; L186-V190 WeakPolarHBondContact O-CG2 3.05Å; L186-V190 PolarHBondContact O-N 3.04Å; N187-V190 PolarHBondContact O-N 3.43Å; E188-V190 PolarHBondContact O-N 2.86Å; V190-H192 VanDerWaalsContact C-N 3.27Å; V190-H192 PolarHBondContact O-N 3.06Å; V190-Y193 PolarHBondContact O-N 3.27Å; V190-T194 WeakPolarHBondContact O-CB 3.4Å; V190-T194 PolarHBondContact O-N 2.99Å; V190-T194 PolarHBondContact O-OG1 2.84Å
191	S	96.7	Very high	94	Very high	53 Å²	53	49.6 Å²	49.6	37%	0.371	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-39.2	178.3	-177.2	0	0	0	0	112.3	N187 E188 K195	N187-S191 VanDerWaalsContact O-CB 3.25Å; N187-S191 WeakPolarHBondContact O-CB 3.33Å; N187-S191 PolarHBondContact O-N 3.03Å; E188-S191 PolarHBondContact O-N 2.7Å; S191-K195 WeakPolarHBondContact O-CG 3.5Å
192	H	96.7	Very high	94.3	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.102	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-55.2	175.6	175.8	65.2	0	0	0	112.3	R181 F183 E188 F189 V190 T194 K195 T196 D198	R181-H192 PolarHBondContact NE-CE1 3.48Å; R181-H192 VanDerWaalsContact NE-CE1 3.29Å; R181-H192 PolarHBondContact NE-NE2 3.29Å; R181-H192 PolarHBondContact NH1-CE1 2.64Å; R181-H192 PolarHBondContact NH1-NE2 3.16Å; R181-H192 PolarHBondContact NH2-CE1 3.29Å; R181-H192 VanDerWaalsContact NH2-CE1 3.27Å; R181-H192 PolarHBondContact NH2-ND1 3.45Å; F183-H192 HydrophobicContact CD1-CB 4.35Å; F183-H192 HydrophobicContact CE1-CB 3.4Å; F183-H192 AromaticContact CE1-CD2 3.93Å; F183-H192 AromaticContact CE1-CG 3.58Å; F183-H192 HydrophobicContact CZ-CB 3.76Å; F183-H192 AromaticContact CZ-CD2 3.44Å; F183-H192 VanDerWaalsContact CZ-CD2 3.44Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.49Å; F183-H192 AromaticContact CZ-CG 3.61Å; E188-H192 WeakPolarHBondContact O-CB 3.45Å; E188-H192 PolarHBondContact O-N 2.84Å; F189-H192 PolarHBondContact O-N 2.8Å; V190-H192 VanDerWaalsContact C-N 3.27Å; V190-H192 PolarHBondContact O-N 3.06Å; H192-T194 PolarHBondContact O-N 2.98Å; H192-K195 PolarHBondContact O-N 3.46Å; H192-T196 WeakPolarHBondContact CE1-CG2 3.34Å; H192-T196 WeakPolarHBondContact NE2-CG2 3.22Å; H192-T196 PolarHBondContact O-N 2.67Å; H192-T196 VanDerWaalsContact O-N 3.13Å; H192-D198 IonicContact CE1-OD2 2.91Å; H192-D198 IonicContact NE2-OD2 3.99Å; H192-D198 PolarHBondContact NE2-OD2 2.56Å
193	Y	96.9	Very high	94.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-72.1	-13.3	-175.5	-76.8	-68.5	0	0	0	114	L177 F183 F189 V190 T196 S197 D198 L200 L204	L177-Y193 HydrophobicContact CD1-CE1 4.24Å; L177-Y193 HydrophobicContact CD1-CE2 3.98Å; L177-Y193 HydrophobicContact CG-CE2 4.24Å; F183-Y193 AromaticContact CE2-CE2 3.9Å; F183-Y193 HydrophobicContact CE2-CE2 3.9Å; F183-Y193 HydrophobicContact CZ-CE2 4.13Å; F189-Y193 HydrophobicContact CD1-CD2 4.02Å; F189-Y193 HydrophobicContact CD2-CD2 4.21Å; F189-Y193 AromaticContact CD2-CE2 3.96Å; F189-Y193 HydrophobicContact CD2-CE2 3.96Å; F189-Y193 AromaticContact CE1-CD2 3.78Å; F189-Y193 HydrophobicContact CE1-CD2 3.78Å; F189-Y193 HydrophobicContact CE1-CE2 4.18Å; F189-Y193 HydrophobicContact CE2-CD2 4.01Å; F189-Y193 AromaticContact CE2-CE2 3.58Å; F189-Y193 HydrophobicContact CE2-CE2 3.58Å; F189-Y193 HydrophobicContact CG-CD2 4.2Å; F189-Y193 HydrophobicContact CG-CE2 4.41Å; F189-Y193 AromaticContact CZ-CD2 3.75Å; F189-Y193 HydrophobicContact CZ-CD2 3.75Å; F189-Y193 AromaticContact CZ-CE2 3.67Å; F189-Y193 HydrophobicContact CZ-CE2 3.67Å; F189-Y193 WeakPolarHBondContact O-CD2 3.37Å; F189-Y193 PolarHBondContact O-N 2.92Å; F189-Y193 VanDerWaalsContact O-N 3.13Å; V190-Y193 PolarHBondContact O-N 3.27Å; Y193-T196 CarbonylContact C-O 3.55Å; Y193-T196 VanDerWaalsContact CA-O 3.25Å; Y193-T196 WeakPolarHBondContact CA-O 3.39Å; Y193-T196 VanDerWaalsContact O-O 3.09Å; Y193-S197 VanDerWaalsContact CD1-O 3.29Å; Y193-S197 WeakPolarHBondContact CD1-O 3.38Å; Y193-S197 VanDerWaalsContact CE1-O 3.31Å; Y193-S197 WeakPolarHBondContact CE1-O 3.4Å; Y193-D198 HydrophobicContact CD1-CB 4.37Å; Y193-D198 HydrophobicContact CE1-CB 3.86Å; Y193-L200 HydrophobicContact CD1-CD1 3.3Å; Y193-L200 HydrophobicContact CD1-CG 3.62Å; Y193-L200 HydrophobicContact CD2-CD1 4.49Å; Y193-L200 HydrophobicContact CE1-CD1 3.95Å; Y193-L200 HydrophobicContact CE1-CG 3.76Å; Y193-L200 HydrophobicContact CG-CD1 3.62Å; Y193-L200 HydrophobicContact CG-CG 4.36Å; Y193-L204 PolarHBondContact O-N 3.5Å
194	T	97.1	Very high	94.7	Very high	63 Å²	63	47.6 Å²	47.6	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-71.6	-33.7	166.8	-57.3	0	0	0	0	111.7	V190 H192 L204	V190-T194 WeakPolarHBondContact O-CB 3.4Å; V190-T194 PolarHBondContact O-N 2.99Å; V190-T194 PolarHBondContact O-OG1 2.84Å; H192-T194 PolarHBondContact O-N 2.98Å; T194-L204 WeakPolarHBondContact CA-O 3.44Å
195	K	96.7	Very high	94.9	Very high	158 Å²	158	45.9 Å²	45.9	69%	0.687	26%	0.26	S	S	*	.	H	α-helix	trans	-85.1	-35.8	-177.9	-66.6	170.5	-173.2	171.3	0	112.5	S191 H192 K203	S191-K195 WeakPolarHBondContact O-CG 3.5Å; H192-K195 PolarHBondContact O-N 3.46Å; K195-K203 WeakPolarHBondContact O-CD 3.46Å
196	T	94.6	Very high	95.1	Very high	56 Å²	56	51.7 Å²	51.7	34%	0.344	28%	0.28	S	S	.	.			trans	-143.4	147.2	-178	178.9	0	0	0	0	111	H192 Y193 D198	H192-T196 WeakPolarHBondContact CE1-CG2 3.34Å; H192-T196 WeakPolarHBondContact NE2-CG2 3.22Å; H192-T196 PolarHBondContact O-N 2.67Å; H192-T196 VanDerWaalsContact O-N 3.13Å; Y193-T196 CarbonylContact C-O 3.55Å; Y193-T196 VanDerWaalsContact CA-O 3.25Å; Y193-T196 WeakPolarHBondContact CA-O 3.39Å; Y193-T196 VanDerWaalsContact O-O 3.09Å; T196-D198 HydrophobicContact CG2-CB 4.05Å
197	S	91.4	Very high	95.2	Very high	46 Å²	46	53.4 Å²	53.4	32%	0.322	29%	0.292	S	S	.	.			trans	-74.7	-36.6	179.3	53.9	0	0	0	0	111.7	Y193 G199 L200	Y193-S197 VanDerWaalsContact CD1-O 3.29Å; Y193-S197 WeakPolarHBondContact CD1-O 3.38Å; Y193-S197 VanDerWaalsContact CE1-O 3.31Å; Y193-S197 WeakPolarHBondContact CE1-O 3.4Å; S197-G199 PolarHBondContact O-N 2.65Å; S197-G199 VanDerWaalsContact O-N 3.09Å; S197-L200 WeakPolarHBondContact O-CB 3.41Å; S197-L200 WeakPolarHBondContact O-CG 3.13Å; S197-L200 PolarHBondContact O-N 3.03Å
198	D	90.5	Very high	95.2	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	47.7	173.3	-158.9	17.7	0	0	0	113.5	R181 H192 Y193 T196	R181-D198 WeakPolarHBondContact CD-OD2 3.28Å; R181-D198 IonicContact CZ-OD2 2.91Å; R181-D198 IonicContact NE-OD2 3.68Å; R181-D198 IonicContact NH1-OD2 3.59Å; R181-D198 PolarHBondContact NH1-OD2 3.12Å; H192-D198 IonicContact CE1-OD2 2.91Å; H192-D198 IonicContact NE2-OD2 3.99Å; H192-D198 PolarHBondContact NE2-OD2 2.56Å; Y193-D198 HydrophobicContact CD1-CB 4.37Å; Y193-D198 HydrophobicContact CE1-CB 3.86Å; T196-D198 HydrophobicContact CG2-CB 4.05Å
199	G	86.3	Confident	95	Very high	20 Å²	20	49.2 Å²	49.2	21%	0.206	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-10.2	-178	0	0	0	0	0	115.8	S197	S197-G199 PolarHBondContact O-N 2.65Å; S197-G199 VanDerWaalsContact O-N 3.09Å
200	L	92.8	Very high	94.6	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	28%	0.283	C	S	.	.	S	Bend	trans	-69.7	154.2	167.8	-65.5	-176.2	0	0	0	111.5	L154 Y165 L177 Y193 S197 V202 L204	L154-L200 HydrophobicContact CD2-CD1 4Å; L154-L200 HydrophobicContact CD2-CD2 3.96Å; Y165-L200 HydrophobicContact CD1-CD2 3.81Å; Y165-L200 HydrophobicContact CD2-CD2 3.7Å; Y165-L200 HydrophobicContact CE1-CD2 3.75Å; Y165-L200 HydrophobicContact CE2-CD2 3.66Å; Y165-L200 HydrophobicContact CG-CD2 3.77Å; L177-L200 HydrophobicContact CD1-CD2 3.45Å; L177-L200 VanDerWaalsContact CD1-CD2 3.45Å; L177-L200 HydrophobicContact CD1-CG 4.25Å; Y193-L200 HydrophobicContact CD1-CD1 3.3Å; Y193-L200 HydrophobicContact CD1-CG 3.62Å; Y193-L200 HydrophobicContact CD2-CD1 4.49Å; Y193-L200 HydrophobicContact CE1-CD1 3.95Å; Y193-L200 HydrophobicContact CE1-CG 3.76Å; Y193-L200 HydrophobicContact CG-CD1 3.62Å; Y193-L200 HydrophobicContact CG-CG 4.36Å; S197-L200 WeakPolarHBondContact O-CB 3.41Å; S197-L200 WeakPolarHBondContact O-CG 3.13Å; S197-L200 PolarHBondContact O-N 3.03Å; L200-V202 WeakPolarHBondContact CB-O 3.3Å; L200-V202 PolarHBondContact O-N 2.76Å; L200-L204 HydrophobicContact CD1-CD2 3.92Å; L200-L204 HydrophobicContact CD1-CG 4.16Å
201	C	93.2	Very high	93.8	Very high	32 Å²	32	53.2 Å²	53.2	22%	0.216	29%	0.29	C	S	.	.	S	Bend	trans	-56.7	-35.9	174.3	51.9	0	0	0	0	113.5	D158 K163 Y165	D158-C201 HydrophobicContact CB-CB 4.29Å; D158-C201 WeakPolarHBondContact OD2-CB 3.35Å; K163-C201 HydrophobicContact CD-CB 3.31Å; K163-C201 VanDerWaalsContact CD-SG 3.54Å; K163-C201 VanDerWaalsContact NZ-CB 3.3Å; Y165-C201 VanDerWaalsContact OH-CB 3.27Å; Y165-C201 WeakPolarHBondContact OH-CB 3.38Å; Y165-C201 PolarHBondContact OH-N 2.95Å; Y165-C201 PolarHBondContact OH-SG 3.03Å
202	V	96.8	Very high	93	Very high	35 Å²	35	53 Å²	53	21%	0.212	28%	0.284	C	S	.	.	S	Bend	trans	-152.5	158.1	177	65.9	0	0	0	0	109.2	T137 V156 D158 L200	T137-V202 HydrophobicContact CG2-CG1 4.48Å; T137-V202 HydrophobicContact CG2-CG2 4.07Å; V156-V202 HydrophobicContact CG1-CG1 3.7Å; D158-V202 HydrophobicContact CB-CG1 4.08Å; L200-V202 WeakPolarHBondContact CB-O 3.3Å; L200-V202 PolarHBondContact O-N 2.76Å
203	K	97.8	Very high	92.3	Very high	117 Å²	117	55.7 Å²	55.7	51%	0.509	30%	0.302	S	S	.	.			trans	-60.3	143.2	169.2	-75.7	-178.1	-80.7	-176.8	0	110.1	K195 G205	K195-K203 WeakPolarHBondContact O-CD 3.46Å; K203-G205 PolarHBondContact O-N 3.39Å
204	L	98.2	Very high	91.6	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	31%	0.314	C	S	.	.			trans	-65.4	128.9	173.5	-57.5	-175.9	0	0	0	109.5	F140 L154 V156 Y193 T194 L200	F140-L204 HydrophobicContact CB-CD2 3.79Å; F140-L204 HydrophobicContact CD1-CB 3.8Å; F140-L204 HydrophobicContact CD1-CD1 4.5Å; F140-L204 HydrophobicContact CD1-CD2 4.23Å; F140-L204 HydrophobicContact CD1-CG 4.38Å; F140-L204 HydrophobicContact CD2-CD1 3.99Å; F140-L204 HydrophobicContact CD2-CD2 4.27Å; F140-L204 HydrophobicContact CE1-CB 3.93Å; F140-L204 HydrophobicContact CE2-CD1 4.03Å; F140-L204 HydrophobicContact CG-CB 4.23Å; F140-L204 HydrophobicContact CG-CD1 4.24Å; F140-L204 HydrophobicContact CG-CD2 3.84Å; F140-L204 HydrophobicContact CG-CG 4.31Å; F140-L204 HydrophobicContact CZ-CB 4.45Å; F140-L204 HydrophobicContact CZ-CD1 4.32Å; L154-L204 HydrophobicContact CD1-CD1 4.38Å; L154-L204 HydrophobicContact CD1-CD2 4.18Å; L154-L204 HydrophobicContact CD2-CD2 4.3Å; V156-L204 HydrophobicContact CG1-CD2 4.18Å; V156-L204 HydrophobicContact CG2-CD2 3.75Å; Y193-L204 PolarHBondContact O-N 3.5Å; T194-L204 WeakPolarHBondContact CA-O 3.44Å; L200-L204 HydrophobicContact CD1-CD2 3.92Å; L200-L204 HydrophobicContact CD1-CG 4.16Å
205	G	97.2	Very high	90.9	Very high	37 Å²	37	57.4 Å²	57.4	38%	0.381	32%	0.319	S	S	.	.			trans	-98.8	-129.6	178	0	0	0	0	0	111	G138 F140 K203	G138-G205 WeakPolarHBondContact O-CA 3.48Å; G138-G205 PolarHBondContact O-N 2.91Å; F140-G205 WeakPolarHBondContact CE1-O 3.14Å; K203-G205 PolarHBondContact O-N 3.39Å
206	K	96.9	Very high	90.2	Very high	177 Å²	177	50.3 Å²	50.3	77%	0.77	29%	0.289	S	S	*	.	S	Bend	trans	-78.4	148.7	175.2	-67.9	-173.5	175.8	-176	0	110.8	A139 F140	A139-K206 VanDerWaalsContact CA-O 3.28Å; A139-K206 WeakPolarHBondContact CA-O 3.3Å; F140-K206 PolarHBondContact N-O 3.46Å
207	P	96.7	Very high	89.5	Confident	43 Å²	43	50.3 Å²	50.3	28%	0.279	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-51.6	146.2	165.6	-26.9	36	0	0	0	111.7	P115 W116 F140	P115-P207 HydrophobicContact CB-CB 4.3Å; P115-P207 HydrophobicContact CB-CG 4.26Å; P115-P207 HydrophobicContact CG-CG 4.12Å; W116-P207 HydrophobicContact CB-CB 3.94Å; W116-P207 HydrophobicContact CB-CG 4.1Å; F140-P207 HydrophobicContact CE1-CG 4.45Å; F140-P207 HydrophobicContact CZ-CG 4.48Å; F140-P207 CarbonylContact O-C 3.57Å
208	C	95.8	Very high	89.2	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.034	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.9	139.5	172.9	-175.3	0	0	0	0	110.2	F118 Q129 L130 F140 L141 K210	F118-C208 HydrophobicContact CE2-CB 4.07Å; F118-C208 HydrophobicContact CZ-CB 3.73Å; F118-C208 WeakPolarHBondContact CZ-O 3.4Å; Q129-C208 VanDerWaalsContact C-SG 3.58Å; L130-C208 HydrophobicContact CD2-CB 3.71Å; L130-C208 HydrophobicContact CG-CB 4.38Å; F140-C208 WeakPolarHBondContact O-CB 3.14Å; F140-C208 PolarHBondContact O-N 3.33Å; L141-C208 HydrophobicContact CB-CB 4.06Å; L141-C208 HydrophobicContact CD2-CB 4.03Å; C208-K210 PolarHBondContact O-N 3.38Å
209	L	89.5	Confident	89	Confident	71 Å²	71	44.8 Å²	44.8	37%	0.372	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-65.9	129.9	172.6	-64	171.7	0	0	0	110.2	Y132 E134 N135 I211	Y132-L209 HydrophobicContact CD1-CD1 4.11Å; Y132-L209 HydrophobicContact CE1-CD1 4.28Å; E134-L209 HydrophobicContact CB-CD1 3.63Å; N135-L209 PolarHBondContact OD1-N 3.46Å; L209-I211 VanDerWaalsContact C-N 3.29Å; L209-I211 HydrophobicContact CB-CG2 4.06Å; L209-I211 PolarHBondContact O-N 2.95Å
210	K	87.6	Confident	89.1	Confident	51 Å²	51	44.1 Å²	44.1	22%	0.222	24%	0.243	C	C	.	.			trans	-79.5	76.6	173.3	-68.3	-169.1	176.8	-163.7	0	109.8	F51 F117 F118 C208	F51-K210 HydrophobicContact CD1-CB 4.41Å; F51-K210 HydrophobicContact CE1-CB 3.88Å; F51-K210 HydrophobicContact CE1-CD 4.18Å; F51-K210 HydrophobicContact CZ-CD 4.32Å; F117-K210 WeakPolarHBondContact O-CE 3.34Å; F117-K210 PolarHBondContact O-NZ 3.41Å; F118-K210 HydrophobicContact CE1-CG 3.74Å; F118-K210 HydrophobicContact CE2-CG 4.16Å; F118-K210 HydrophobicContact CZ-CD 4.46Å; F118-K210 HydrophobicContact CZ-CG 3.5Å; C208-K210 PolarHBondContact O-N 3.38Å
211	I	81.3	Confident	88.8	Confident	46 Å²	46	45.6 Å²	45.6	24%	0.236	25%	0.248	C	C	.	.			trans	-76.8	-25.7	-178.4	58.4	164.6	0	0	0	112.7	Q129 Y132 L209 V213	Q129-I211 HydrophobicContact CB-CG1 4.48Å; Q129-I211 HydrophobicContact CG-CD1 4.4Å; Q129-I211 HydrophobicContact CG-CG1 3.98Å; Y132-I211 HydrophobicContact CD1-CG2 3.71Å; Y132-I211 HydrophobicContact CD2-CD1 3.91Å; Y132-I211 HydrophobicContact CD2-CG2 4.32Å; Y132-I211 HydrophobicContact CE1-CG2 3.89Å; Y132-I211 HydrophobicContact CE2-CG2 4.49Å; Y132-I211 HydrophobicContact CG-CD1 4.03Å; Y132-I211 HydrophobicContact CG-CG2 3.95Å; L209-I211 VanDerWaalsContact C-N 3.29Å; L209-I211 HydrophobicContact CB-CG2 4.06Å; L209-I211 PolarHBondContact O-N 2.95Å; I211-V213 PolarHBondContact O-N 3.23Å
212	Q	79.1	Confident	88.4	Confident	50 Å²	50	48 Å²	48	23%	0.234	26%	0.256	C	S	.	.			trans	-86.3	94.2	177.7	-66.3	-178.4	12.3	0	0	109.3	Q129 H365	Q129-Q212 HydrophobicContact CG-CG 4.21Å; Q212-H365 HydrophobicContact CG-CB 4.27Å
213	V	81.7	Confident	87.6	Confident	78 Å²	78	46.6 Å²	46.6	47%	0.473	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-79.8	125.9	174.7	-174.9	0	0	0	0	108.7	F51 Y104 I211	F51-V213 HydrophobicContact CB-CG1 4.16Å; F51-V213 HydrophobicContact CD1-CB 4.35Å; F51-V213 HydrophobicContact CD1-CG1 4.21Å; F51-V213 HydrophobicContact CD1-CG2 4.08Å; F51-V213 HydrophobicContact CG-CG1 4.21Å; Y104-V213 HydrophobicContact CE1-CG1 3.89Å; Y104-V213 VanDerWaalsContact OH-CG1 3.3Å; Y104-V213 WeakPolarHBondContact OH-CG1 3.22Å; I211-V213 PolarHBondContact O-N 3.23Å
214	P	82.5	Confident	86.5	Confident	40 Å²	40	41.4 Å²	41.4	26%	0.26	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-66.6	142.1	178.2	28.7	-34.6	0	0	0	110.1	F51 Y104	F51-P214 HydrophobicContact CD2-CG 4Å; F51-P214 HydrophobicContact CE2-CG 3.61Å; F51-P214 HydrophobicContact CZ-CG 4.01Å; Y104-P214 HydrophobicContact CD2-CG 4.2Å; Y104-P214 HydrophobicContact CE2-CG 3.97Å; Y104-P214 WeakPolarHBondContact CE2-O 2.99Å; Y104-P214 VanDerWaalsContact CZ-O 3.25Å; Y104-P214 PolarHBondContact OH-O 3.03Å
215	A	81.9	Confident	85.2	Confident	61 Å²	61	46.7 Å²	46.7	50%	0.504	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.6	169.3	0	0	0	0	0	109.2	N103	N103-A215 PolarHBondContact ND2-O 2.83Å
216	P	83.8	Confident	84.3	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.058	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60	158.8	168.3	-28.3	41	0	0	0	111.1	W79 P101 Y104 D218	W79-P216 HydrophobicContact CZ2-CB 4.11Å; P101-P216 HydrophobicContact CB-CB 4.13Å; P101-P216 HydrophobicContact CB-CG 4.4Å; P101-P216 HydrophobicContact CG-CB 4.12Å; P101-P216 HydrophobicContact CG-CG 4.08Å; Y104-P216 HydrophobicContact CE2-CG 3.89Å; P216-D218 PolarHBondContact O-N 3.18Å
217	F	79.3	Confident	83.5	Confident	55 Å²	55	44.1 Å²	44.1	24%	0.241	23%	0.233	C	C	.	.	S	Bend	trans	-59	-34.1	-176.4	-172.2	-105.7	0	0	0	113.5	E77 V224 R285	E77-F217 HydrophobicContact CB-CE1 4.08Å; E77-F217 HydrophobicContact CB-CZ 4.32Å; E77-F217 HydrophobicContact CG-CE1 3.81Å; E77-F217 HydrophobicContact CG-CE2 4.17Å; E77-F217 HydrophobicContact CG-CZ 3.56Å; E77-F217 WeakPolarHBondContact O-CD1 3.27Å; E77-F217 WeakPolarHBondContact OE1-CZ 3.12Å; E77-F217 WeakPolarHBondContact OE2-CZ 3.33Å; F217-V224 HydrophobicContact CD1-CG2 4.17Å; F217-V224 HydrophobicContact CE1-CG1 4.2Å; F217-V224 HydrophobicContact CE1-CG2 4.43Å; F217-R285 VanDerWaalsContact CE1-CZ 3.42Å; F217-R285 VanDerWaalsContact CZ-CZ 3.45Å
218	D	85	Confident	83	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-153.6	-173	-179.9	-144.4	-61	0	0	0	110.3	W79 P216 T223 V224 R285	W79-D218 WeakPolarHBondContact CZ2-O 3.38Å; P216-D218 PolarHBondContact O-N 3.18Å; D218-T223 VanDerWaalsContact CG-OG1 3.28Å; D218-T223 WeakPolarHBondContact OD1-CB 3.42Å; D218-T223 PolarHBondContact OD1-OG1 2.86Å; D218-V224 HydrophobicContact CB-CG2 4.11Å; D218-R285 IonicContact OD2-NH1 3.11Å
219	L	86.4	Confident	82.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-65.3	-43.5	172.3	-68.8	175.2	0	0	0	111.9	T223 W253 T257 V259 Y293 A294	L219-T223 HydrophobicContact CB-CG2 4.25Å; L219-T223 PolarHBondContact N-OG1 2.83Å; L219-W253 HydrophobicContact CB-CD2 4.19Å; L219-W253 HydrophobicContact CB-CE3 3.97Å; L219-W253 HydrophobicContact CB-CH2 3.86Å; L219-W253 HydrophobicContact CB-CZ2 4.09Å; L219-W253 HydrophobicContact CB-CZ3 3.79Å; L219-W253 HydrophobicContact CD1-CD2 3.96Å; L219-W253 HydrophobicContact CD1-CE3 4.44Å; L219-W253 HydrophobicContact CD1-CG 4.03Å; L219-W253 HydrophobicContact CD2-CB 4.43Å; L219-W253 HydrophobicContact CD2-CD2 4.03Å; L219-W253 HydrophobicContact CD2-CE3 3.75Å; L219-W253 HydrophobicContact CD2-CG 4.34Å; L219-W253 HydrophobicContact CD2-CZ3 4.31Å; L219-W253 HydrophobicContact CG-CD2 4.29Å; L219-W253 HydrophobicContact CG-CE3 4.26Å; L219-W253 WeakPolarHBondContact O-CH2 3.45Å; L219-W253 VanDerWaalsContact O-CZ3 3.3Å; L219-W253 WeakPolarHBondContact O-CZ3 3.18Å; L219-T257 HydrophobicContact CD2-CG2 3.88Å; L219-V259 HydrophobicContact CD2-CG1 4.08Å; L219-Y293 HydrophobicContact CD1-CD2 4.42Å; L219-Y293 HydrophobicContact CD1-CG 4.27Å; L219-Y293 HydrophobicContact CD2-CD2 3.63Å; L219-Y293 HydrophobicContact CD2-CE2 4Å; L219-Y293 HydrophobicContact CD2-CG 4.03Å; L219-Y293 HydrophobicContact CG-CD1 4.37Å; L219-Y293 HydrophobicContact CG-CD2 3.91Å; L219-Y293 HydrophobicContact CG-CG 3.77Å; L219-A294 HydrophobicContact CD1-CB 4.31Å
220	S	88	Confident	82.8	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.035	24%	0.238	C	C	.	.	S	Bend	trans	-155.8	173.1	177.5	67.8	0	0	0	0	111.6	W79 K222 T223	W79-S220 VanDerWaalsContact CZ2-CA 3.49Å; W79-S220 PolarHBondContact NE1-O 3.25Å; S220-K222 PolarHBondContact O-N 2.8Å; S220-K222 PolarHBondContact OG-N 2.97Å; S220-T223 PolarHBondContact N-OG1 2.65Å; S220-T223 VanDerWaalsContact N-OG1 3.1Å; S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact O-OG1 3.27Å; S220-T223 VanDerWaalsContact O-OG1 3.06Å; S220-T223 PolarHBondContact OG-N 3.46Å
221	Y	86.1	Confident	83.1	Confident	40 Å²	40	45 Å²	45	16%	0.157	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28	172	83.9	-82.5	0	0	0	113.4	E59 Y99	E59-Y221 HydrophobicContact CB-CE1 3.97Å; E59-Y221 HydrophobicContact CG-CE1 4.4Å; Y99-Y221 HydrophobicContact CD1-CD1 4.18Å; Y99-Y221 HydrophobicContact CD1-CD2 4.32Å; Y99-Y221 AromaticContact CD1-CG 3.84Å; Y99-Y221 HydrophobicContact CD1-CG 3.84Å; Y99-Y221 AromaticContact CD2-CD1 3.35Å; Y99-Y221 HydrophobicContact CD2-CD1 3.35Å; Y99-Y221 HydrophobicContact CD2-CD2 4.35Å; Y99-Y221 AromaticContact CD2-CE1 3.48Å; Y99-Y221 HydrophobicContact CD2-CE1 3.48Å; Y99-Y221 VanDerWaalsContact CD2-CE1 3.48Å; Y99-Y221 HydrophobicContact CD2-CE2 4.45Å; Y99-Y221 AromaticContact CD2-CG 3.82Å; Y99-Y221 HydrophobicContact CD2-CG 3.82Å; Y99-Y221 HydrophobicContact CE1-CD1 4.35Å; Y99-Y221 AromaticContact CE1-CD2 3.79Å; Y99-Y221 HydrophobicContact CE1-CD2 3.79Å; Y99-Y221 HydrophobicContact CE1-CE2 4.31Å; Y99-Y221 AromaticContact CE1-CG 3.8Å; Y99-Y221 HydrophobicContact CE1-CG 3.8Å; Y99-Y221 AromaticContact CE2-CD1 3.57Å; Y99-Y221 HydrophobicContact CE2-CD1 3.57Å; Y99-Y221 AromaticContact CE2-CD2 3.84Å; Y99-Y221 HydrophobicContact CE2-CD2 3.84Å; Y99-Y221 AromaticContact CE2-CE1 3.38Å; Y99-Y221 HydrophobicContact CE2-CE1 3.38Å; Y99-Y221 AromaticContact CE2-CE2 3.66Å; Y99-Y221 HydrophobicContact CE2-CE2 3.66Å; Y99-Y221 AromaticContact CE2-CG 3.79Å; Y99-Y221 HydrophobicContact CE2-CG 3.79Å; Y99-Y221 AromaticContact CE2-CZ 3.4Å; Y99-Y221 VanDerWaalsContact CE2-CZ 3.4Å; Y99-Y221 AromaticContact CG-CD1 3.68Å; Y99-Y221 HydrophobicContact CG-CD1 3.68Å; Y99-Y221 HydrophobicContact CG-CE1 4.27Å; Y99-Y221 AromaticContact CG-CG 3.83Å; Y99-Y221 HydrophobicContact CG-CG 3.83Å; Y99-Y221 AromaticContact CZ-CD2 3.51Å; Y99-Y221 AromaticContact CZ-CE2 3.55Å; Y99-Y221 AromaticContact CZ-CG 3.76Å; Y99-Y221 AromaticContact CZ-CZ 3.84Å; Y99-Y221 WeakPolarHBondContact OH-CE2 3.22Å
222	K	84.8	Confident	83.6	Confident	84 Å²	84	49.1 Å²	49.1	37%	0.365	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-37.3	179.5	-65.5	-179.4	-173.9	164.4	0	111.9	E59 S220 V224 D225 Q226	E59-K222 IonicContact OE1-NZ 2.69Å; E59-K222 PolarHBondContact OE1-NZ 3.18Å; S220-K222 PolarHBondContact O-N 2.8Å; S220-K222 PolarHBondContact OG-N 2.97Å; K222-V224 PolarHBondContact O-N 2.84Å; K222-D225 PolarHBondContact O-N 2.93Å; K222-Q226 WeakPolarHBondContact O-CA 3.37Å; K222-Q226 VanDerWaalsContact O-CB 3.3Å; K222-Q226 WeakPolarHBondContact O-CB 3.46Å; K222-Q226 PolarHBondContact O-N 3.2Å
223	T	81.3	Confident	84.4	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.2	-174.3	55.3	0	0	0	0	113.6	D218 L219 S220 D225 Q226 I229	D218-T223 VanDerWaalsContact CG-OG1 3.28Å; D218-T223 WeakPolarHBondContact OD1-CB 3.42Å; D218-T223 PolarHBondContact OD1-OG1 2.86Å; L219-T223 HydrophobicContact CB-CG2 4.25Å; L219-T223 PolarHBondContact N-OG1 2.83Å; S220-T223 PolarHBondContact N-OG1 2.65Å; S220-T223 VanDerWaalsContact N-OG1 3.1Å; S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact O-OG1 3.27Å; S220-T223 VanDerWaalsContact O-OG1 3.06Å; S220-T223 PolarHBondContact OG-N 3.46Å; T223-D225 VanDerWaalsContact C-N 3.31Å; T223-D225 PolarHBondContact O-N 2.77Å; T223-Q226 WeakPolarHBondContact CA-O 3.49Å; T223-I229 HydrophobicContact CG2-CG2 3.88Å
224	V	73.9	Confident	85.1	Confident	8 Å²	8	44.7 Å²	44.7	5%	0.048	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-46.4	173	-179.4	0	0	0	0	111.5	E77 F217 D218 K222 W227	E77-V224 HydrophobicContact CB-CG1 4.41Å; F217-V224 HydrophobicContact CD1-CG2 4.17Å; F217-V224 HydrophobicContact CE1-CG1 4.2Å; F217-V224 HydrophobicContact CE1-CG2 4.43Å; D218-V224 HydrophobicContact CB-CG2 4.11Å; K222-V224 PolarHBondContact O-N 2.84Å; V224-W227 WeakPolarHBondContact O-CZ2 3.39Å; V224-W227 PolarHBondContact O-NE1 2.89Å
225	D	70.6	Confident	85.8	Confident	117 Å²	117	47.1 Å²	47.1	63%	0.626	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-27	-179.7	-63.2	-42.8	0	0	0	112.6	K222 T223	K222-D225 PolarHBondContact O-N 2.93Å; T223-D225 VanDerWaalsContact C-N 3.31Å; T223-D225 PolarHBondContact O-N 2.77Å
226	Q	78	Confident	86.4	Confident	134 Å²	134	47 Å²	47	63%	0.626	23%	0.231	S	C	*	.			trans	-116.9	91.5	-175.1	-58.7	-178.7	2.6	0	0	111.7	K222 T223 E228	K222-Q226 WeakPolarHBondContact O-CA 3.37Å; K222-Q226 VanDerWaalsContact O-CB 3.3Å; K222-Q226 WeakPolarHBondContact O-CB 3.46Å; K222-Q226 PolarHBondContact O-N 3.2Å; T223-Q226 WeakPolarHBondContact CA-O 3.49Å; Q226-E228 PolarHBondContact O-N 3.13Å
227	W	80.1	Confident	87	Confident	25 Å²	25	50.4 Å²	50.4	10%	0.095	25%	0.249	C	C	.	.			trans	-80.5	-17.2	-172.7	-56.7	74	0	0	0	113.3	V224 K282 L292 A294 V295	V224-W227 WeakPolarHBondContact O-CZ2 3.39Å; V224-W227 PolarHBondContact O-NE1 2.89Å; W227-K282 HydrophobicContact CD2-CG 4.36Å; W227-K282 HydrophobicContact CZ2-CG 4.11Å; W227-L292 HydrophobicContact CE3-CD2 3.81Å; W227-L292 HydrophobicContact CE3-CG 4Å; W227-L292 HydrophobicContact CZ3-CB 4.27Å; W227-L292 HydrophobicContact CZ3-CD2 4.03Å; W227-L292 HydrophobicContact CZ3-CG 4.04Å; W227-L292 WeakPolarHBondContact CZ3-O 3.49Å; W227-A294 CarbonylContact O-C 3.57Å; W227-A294 WeakPolarHBondContact O-CA 3.42Å; W227-A294 VanDerWaalsContact O-CB 3.27Å; W227-A294 WeakPolarHBondContact O-CB 3.5Å; W227-V295 PolarHBondContact O-N 3.33Å
228	E	86.7	Confident	87.8	Confident	35 Å²	35	54.1 Å²	54.1	16%	0.164	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-85.2	124.2	175.9	-176.4	156.4	-131.8	0	0	110.7	L8 Q226 V295 T297 L298	L8-E228 HydrophobicContact CD1-CB 3.95Å; L8-E228 VanDerWaalsContact CD1-CD 3.43Å; L8-E228 HydrophobicContact CD1-CG 4.25Å; L8-E228 WeakPolarHBondContact CD1-OE2 3.48Å; Q226-E228 PolarHBondContact O-N 3.13Å; E228-V295 WeakPolarHBondContact CA-O 3.43Å; E228-V295 HydrophobicContact CB-CG2 4.4Å; E228-T297 WeakPolarHBondContact OE1-CA 3.43Å; E228-T297 WeakPolarHBondContact OE1-CB 3.43Å; E228-T297 PolarHBondContact OE1-N 2.71Å; E228-T297 PolarHBondContact OE1-OG1 2.69Å; E228-L298 HydrophobicContact CG-CG 4.47Å; E228-L298 WeakPolarHBondContact OE1-CG 3.34Å; E228-L298 PolarHBondContact OE1-N 2.86Å; E228-L298 VanDerWaalsContact OE1-N 3.16Å
229	I	90.8	Very high	88.3	Confident	24 Å²	24	60.6 Å²	60.6	12%	0.123	29%	0.289	C	S	.	.			trans	-122.5	158.3	179.1	69.5	173.4	0	0	0	111.3	T223 R231 I234 A294 V295 C296 I305	T223-I229 HydrophobicContact CG2-CG2 3.88Å; I229-R231 PolarHBondContact O-N 3.11Å; I229-I234 HydrophobicContact CD1-CD1 3.99Å; I229-I234 HydrophobicContact CD1-CG1 4.07Å; I229-A294 HydrophobicContact CB-CB 4.48Å; I229-A294 HydrophobicContact CD1-CB 3.73Å; I229-A294 HydrophobicContact CG1-CB 3.89Å; I229-A294 HydrophobicContact CG2-CB 3.86Å; I229-V295 PolarHBondContact N-O 3.34Å; I229-C296 PolarHBondContact O-SG 2.86Å; I229-C296 VanDerWaalsContact O-SG 3.34Å; I229-I305 HydrophobicContact CD1-CD1 3.6Å; I229-I305 HydrophobicContact CG1-CD1 3.96Å
230	D	91	Very high	88.5	Confident	95 Å²	95	64.6 Å²	64.6	51%	0.508	31%	0.31	S	S	.	.			trans	-64.2	127.6	173.6	-175.4	-11.5	0	0	0	110.1	N232 S233	D230-N232 PolarHBondContact O-N 2.91Å; D230-N232 WeakPolarHBondContact OD1-CB 3.39Å; D230-N232 PolarHBondContact OD1-N 3.11Å; D230-N232 PolarHBondContact OD1-ND2 2.84Å; D230-S233 VanDerWaalsContact O-CB 3.31Å; D230-S233 WeakPolarHBondContact O-CB 3.25Å; D230-S233 PolarHBondContact O-N 2.8Å; D230-S233 PolarHBondContact O-OG 3.02Å
231	R	92.3	Very high	88.4	Confident	34 Å²	34	65.8 Å²	65.8	13%	0.128	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.1	175.4	180	-172.1	-64.5	-81.4	-13.1	112.2	I229 S233 I234 C296 E299 P301 Y303	I229-R231 PolarHBondContact O-N 3.11Å; R231-S233 PolarHBondContact O-N 3.45Å; R231-I234 WeakPolarHBondContact O-CB 3.25Å; R231-I234 PolarHBondContact O-N 2.88Å; R231-C296 HydrophobicContact CB-CB 4.4Å; R231-E299 IonicContact NE-OE2 3.21Å; R231-E299 PolarHBondContact NH2-O 3.47Å; R231-P301 PolarHBondContact NH1-O 3.5Å; R231-P301 VanDerWaalsContact NH2-C 3.31Å; R231-P301 PolarHBondContact NH2-O 3.33Å; R231-Y303 HydrophobicContact CG-CD2 4.35Å; R231-Y303 HydrophobicContact CG-CE2 3.87Å; R231-Y303 VanDerWaalsContact NH1-CE2 3.29Å; R231-Y303 PolarHBondContact NH1-OH 3.34Å; R231-Y303 VanDerWaalsContact NH1-OH 3.16Å
232	N	93.6	Very high	88.3	Confident	133 Å²	133	67.3 Å²	67.3	71%	0.711	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17	179.9	-62.8	-52.2	0	0	0	113.3	D230 I234	D230-N232 PolarHBondContact O-N 2.91Å; D230-N232 WeakPolarHBondContact OD1-CB 3.39Å; D230-N232 PolarHBondContact OD1-N 3.11Å; D230-N232 PolarHBondContact OD1-ND2 2.84Å; N232-I234 PolarHBondContact O-N 3.29Å
233	S	94.1	Very high	87.7	Confident	20 Å²	20	65.6 Å²	65.6	14%	0.14	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-74	-9.8	171.4	72.3	0	0	0	0	113.4	D230 R231 W253 N254	D230-S233 VanDerWaalsContact O-CB 3.31Å; D230-S233 WeakPolarHBondContact O-CB 3.25Å; D230-S233 PolarHBondContact O-N 2.8Å; D230-S233 PolarHBondContact O-OG 3.02Å; R231-S233 PolarHBondContact O-N 3.45Å; S233-W253 CarbonylContact O-C 3.56Å; S233-W253 WeakPolarHBondContact O-CA 3.3Å; S233-N254 WeakPolarHBondContact CB-OD1 3.47Å; S233-N254 PolarHBondContact O-N 2.87Å
234	I	96.5	Very high	87	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.082	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.7	-177.9	-61.1	-64.9	0	0	0	110.4	I229 R231 N232 L236 W253 V259 V261 Y303 I305	I229-I234 HydrophobicContact CD1-CD1 3.99Å; I229-I234 HydrophobicContact CD1-CG1 4.07Å; R231-I234 WeakPolarHBondContact O-CB 3.25Å; R231-I234 PolarHBondContact O-N 2.88Å; N232-I234 PolarHBondContact O-N 3.29Å; I234-L236 HydrophobicContact CG2-CD2 4.16Å; I234-W253 HydrophobicContact CD1-CB 3.78Å; I234-W253 HydrophobicContact CD1-CG 4.16Å; I234-V259 HydrophobicContact CD1-CG2 4.25Å; I234-V261 HydrophobicContact CG2-CG2 3.87Å; I234-Y303 HydrophobicContact CG2-CD2 4.46Å; I234-Y303 HydrophobicContact CG2-CE2 4.4Å; I234-I305 HydrophobicContact CD1-CD1 4.03Å; I234-I305 HydrophobicContact CD1-CG1 4.39Å; I234-I305 HydrophobicContact CD1-CG2 4.43Å; I234-I305 HydrophobicContact CG1-CD1 3.99Å
235	Q	96.9	Very high	86.6	Confident	91 Å²	91	75.9 Å²	75.9	43%	0.425	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.7	166.7	-173.1	-177.9	2.3	0	0	109.7	L237 G251 L252 N255	Q235-L237 HydrophobicContact CG-CD2 3.85Å; Q235-G251 CarbonylContact O-C 3.42Å; Q235-G251 WeakPolarHBondContact O-CA 3.34Å; Q235-L252 HydrophobicContact CB-CB 4.43Å; Q235-L252 PolarHBondContact N-O 2.93Å; Q235-L252 PolarHBondContact O-N 2.89Å; Q235-N255 PolarHBondContact OE1-OD1 2.78Å
236	L	96.4	Very high	86.9	Confident	57 Å²	57	70.6 Å²	70.6	30%	0.298	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131	168.3	-59.7	-174.4	0	0	0	109.7	I234 W249 V261 Y303	I234-L236 HydrophobicContact CG2-CD2 4.16Å; L236-W249 HydrophobicContact CB-CE3 4.27Å; L236-W249 HydrophobicContact CD1-CD2 4.29Å; L236-W249 HydrophobicContact CD1-CG 4.3Å; L236-W249 HydrophobicContact CD2-CB 3.93Å; L236-W249 HydrophobicContact CD2-CG 4.32Å; L236-V261 HydrophobicContact CD2-CB 3.79Å; L236-V261 HydrophobicContact CD2-CG1 3.87Å; L236-V261 HydrophobicContact CD2-CG2 3.9Å; L236-Y303 WeakPolarHBondContact CD1-OH 3.44Å; L236-Y303 HydrophobicContact CD2-CE2 4.44Å
237	L	96.4	Very high	87.5	Confident	82 Å²	82	65.7 Å²	65.7	43%	0.429	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-68.2	-175.9	-60.8	179.2	0	0	0	111.8	Q235 E250 L252	Q235-L237 HydrophobicContact CG-CD2 3.85Å; L237-E250 WeakPolarHBondContact CA-O 3.34Å; L237-E250 WeakPolarHBondContact CB-O 3.3Å; L237-E250 PolarHBondContact N-O 3.09Å; L237-L252 HydrophobicContact CD1-CB 4.12Å
238	K	95.8	Very high	88	Confident	132 Å²	132	66.9 Å²	66.9	57%	0.574	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.7	-171.8	177.9	-173.5	172.8	-170.2	0	110.1	L240 W249 E250	K238-L240 PolarHBondContact O-N 2.96Å; K238-W249 CarbonylContact O-C 3.54Å; K238-W249 WeakPolarHBondContact O-CA 3.4Å; K238-E250 HydrophobicContact CB-CB 4.23Å; K238-E250 PolarHBondContact N-O 3.39Å; K238-E250 PolarHBondContact O-N 3.27Å
239	R	94.9	Very high	88.5	Confident	136 Å²	136	68.2 Å²	68.2	51%	0.513	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123.4	171.8	-166.6	174.7	65.2	-176.7	-3.1	109.8	E247 W249	R239-E247 IonicContact CZ-OE1 3.79Å; R239-E247 IonicContact NH1-OE1 2.77Å; R239-E247 PolarHBondContact NH1-OE1 2.81Å; R239-W249 HydrophobicContact CB-CD2 4.01Å; R239-W249 HydrophobicContact CB-CE3 3.87Å; R239-W249 HydrophobicContact CB-CH2 3.96Å; R239-W249 HydrophobicContact CB-CZ2 4.08Å; R239-W249 HydrophobicContact CB-CZ3 3.85Å; R239-W249 HydrophobicContact CG-CD2 4.24Å; R239-W249 HydrophobicContact CG-CZ2 4.16Å
240	L	91	Very high	88.7	Confident	84 Å²	84	69.5 Å²	69.5	44%	0.44	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-37.8	178.5	-63.3	176	0	0	0	111.6	K238 V248 E250 L308	K238-L240 PolarHBondContact O-N 2.96Å; L240-V248 HydrophobicContact CB-CG1 4.37Å; L240-V248 HydrophobicContact CD1-CG1 4.3Å; L240-V248 PolarHBondContact N-O 3.05Å; L240-E250 HydrophobicContact CD1-CB 4.05Å; L240-E250 HydrophobicContact CD2-CB 4.03Å; L240-E250 HydrophobicContact CG-CB 4.01Å; L240-L308 HydrophobicContact CD1-CD1 3.77Å
241	G	86.3	Confident	89	Confident	31 Å²	31	65 Å²	65	32%	0.32	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	167.1	-179.7	0	0	0	0	0	113.2	E247 V248	G241-E247 WeakPolarHBondContact O-CA 3.24Å; G241-V248 PolarHBondContact N-O 3.18Å; G241-V248 VanDerWaalsContact N-O 3.13Å; G241-V248 PolarHBondContact O-N 2.87Å
242	S	83.6	Confident	89.2	Confident	72 Å²	72	65 Å²	65	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.2	171.3	-179.6	0	0	0	0	108.5	K265	S242-K265 PolarHBondContact OG-NZ 3.16Å
243	G	71.9	Confident	89.3	Confident	48 Å²	48	59.1 Å²	59.1	50%	0.495	31%	0.308	S	S	.	.			trans	-106.4	-174.1	173.9	0	0	0	0	0	111.9	F245 G246	G243-F245 PolarHBondContact O-N 3.23Å; G243-G246 PolarHBondContact N-O 2.65Å
244	Q	65.4	Low	89.3	Confident	135 Å²	135	61.1 Å²	61.1	63%	0.631	32%	0.317	S	S	*	.	S	Bend	trans	-60.7	-34.7	176.9	-177.5	177.9	-18.4	0	0	112.3
245	F	65.7	Low	89.2	Confident	92 Å²	92	66 Å²	66	40%	0.404	34%	0.343	S	S	.	.	S	Bend	trans	-103.7	-16.9	-170	-50.8	-65.9	0	0	0	113.7	G243 L264 K265 S268 M269	G243-F245 PolarHBondContact O-N 3.23Å; F245-L264 WeakPolarHBondContact O-CD1 3.31Å; F245-K265 PolarHBondContact O-N 3.04Å; F245-S268 PolarHBondContact O-OG 3.35Å; F245-M269 HydrophobicContact CB-SD 3.82Å; F245-M269 HydrophobicContact CD1-CB 4.29Å; F245-M269 HydrophobicContact CD1-CE 4.45Å; F245-M269 HydrophobicContact CD1-SD 4.29Å; F245-M269 HydrophobicContact CG-CE 4.5Å; F245-M269 HydrophobicContact CG-SD 4.16Å
246	G	78.6	Confident	88.9	Confident	6 Å²	6	64.6 Å²	64.6	6%	0.062	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	-177.5	-167.5	0	0	0	0	0	114.2	G243 T263	G243-G246 PolarHBondContact N-O 2.65Å; G246-T263 WeakPolarHBondContact CA-O 3.26Å
247	E	89.1	Confident	88.7	Confident	32 Å²	32	62.3 Å²	62.3	15%	0.15	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.9	172.8	-52.2	-172	133.9	0	0	110.1	R239 G241 W249 K262 T263 K265	R239-E247 IonicContact CZ-OE1 3.79Å; R239-E247 IonicContact NH1-OE1 2.77Å; R239-E247 PolarHBondContact NH1-OE1 2.81Å; G241-E247 WeakPolarHBondContact O-CA 3.24Å; E247-W249 WeakPolarHBondContact OE2-CZ2 3.5Å; E247-W249 PolarHBondContact OE2-NE1 3.32Å; E247-K262 WeakPolarHBondContact O-CA 3.15Å; E247-T263 PolarHBondContact N-O 3.17Å; E247-T263 PolarHBondContact N-OG1 3.39Å; E247-T263 PolarHBondContact O-N 3.36Å; E247-T263 PolarHBondContact O-OG1 3Å; E247-K265 IonicContact OE1-NZ 3.85Å
248	V	92	Very high	88.7	Confident	50 Å²	50	60.7 Å²	60.7	30%	0.303	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130	172.5	-175.3	0	0	0	0	108	L240 G241 V261 K262	L240-V248 HydrophobicContact CB-CG1 4.37Å; L240-V248 HydrophobicContact CD1-CG1 4.3Å; L240-V248 PolarHBondContact N-O 3.05Å; G241-V248 PolarHBondContact N-O 3.18Å; G241-V248 VanDerWaalsContact N-O 3.13Å; G241-V248 PolarHBondContact O-N 2.87Å; V248-V261 CarbonylContact C-O 3.56Å; V248-V261 WeakPolarHBondContact CA-O 3.35Å; V248-K262 HydrophobicContact CG2-CG 4.2Å
249	W	95.4	Very high	88.7	Confident	62 Å²	62	54.4 Å²	54.4	24%	0.235	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.9	-178.3	-66.3	78.7	0	0	0	110.4	L236 K238 R239 E247 A260 V261	L236-W249 HydrophobicContact CB-CE3 4.27Å; L236-W249 HydrophobicContact CD1-CD2 4.29Å; L236-W249 HydrophobicContact CD1-CG 4.3Å; L236-W249 HydrophobicContact CD2-CB 3.93Å; L236-W249 HydrophobicContact CD2-CG 4.32Å; K238-W249 CarbonylContact O-C 3.54Å; K238-W249 WeakPolarHBondContact O-CA 3.4Å; R239-W249 HydrophobicContact CB-CD2 4.01Å; R239-W249 HydrophobicContact CB-CE3 3.87Å; R239-W249 HydrophobicContact CB-CH2 3.96Å; R239-W249 HydrophobicContact CB-CZ2 4.08Å; R239-W249 HydrophobicContact CB-CZ3 3.85Å; R239-W249 HydrophobicContact CG-CD2 4.24Å; R239-W249 HydrophobicContact CG-CZ2 4.16Å; E247-W249 WeakPolarHBondContact OE2-CZ2 3.5Å; E247-W249 PolarHBondContact OE2-NE1 3.32Å; W249-A260 CarbonylContact O-C 3.54Å; W249-A260 WeakPolarHBondContact O-CA 3.47Å; W249-V261 HydrophobicContact CB-CB 4.42Å; W249-V261 PolarHBondContact N-O 2.79Å; W249-V261 PolarHBondContact O-N 2.8Å
250	E	96.8	Very high	88.7	Confident	51 Å²	51	48.4 Å²	48.4	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.8	156.6	179.4	174.7	-177	0	0	107.4	L237 K238 L240 L308	L237-E250 WeakPolarHBondContact CA-O 3.34Å; L237-E250 WeakPolarHBondContact CB-O 3.3Å; L237-E250 PolarHBondContact N-O 3.09Å; K238-E250 HydrophobicContact CB-CB 4.23Å; K238-E250 PolarHBondContact N-O 3.39Å; K238-E250 PolarHBondContact O-N 3.27Å; L240-E250 HydrophobicContact CD1-CB 4.05Å; L240-E250 HydrophobicContact CD2-CB 4.03Å; L240-E250 HydrophobicContact CG-CB 4.01Å; E250-L308 HydrophobicContact CG-CD1 4.41Å; E250-L308 HydrophobicContact CG-CD2 3.89Å
251	G	96.9	Very high	88.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	176.8	177.7	0	0	0	0	0	112.6	Q235 P258 V259	Q235-G251 CarbonylContact O-C 3.42Å; Q235-G251 WeakPolarHBondContact O-CA 3.34Å; G251-P258 WeakPolarHBondContact O-CA 3.34Å; G251-V259 PolarHBondContact N-O 3.15Å; G251-V259 PolarHBondContact O-N 2.9Å
252	L	96.6	Very high	89.2	Confident	35 Å²	35	45.2 Å²	45.2	18%	0.183	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.1	-179.4	-164.6	65	0	0	0	108.9	Q235 L237 N255 P258	Q235-L252 HydrophobicContact CB-CB 4.43Å; Q235-L252 PolarHBondContact N-O 2.93Å; Q235-L252 PolarHBondContact O-N 2.89Å; L237-L252 HydrophobicContact CD1-CB 4.12Å; L252-N255 VanDerWaalsContact CD2-CA 3.47Å; L252-N255 HydrophobicContact CD2-CB 4.32Å; L252-P258 HydrophobicContact CD1-CG 4.33Å
253	W	95.9	Very high	89.5	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.038	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.9	172.4	176.2	71.3	0	0	0	110.1	R56 T57 L219 S233 I234 N255 T256 T257 V259	R56-W253 HydrophobicContact CB-CH2 4.42Å; R56-W253 HydrophobicContact CB-CZ3 3.73Å; T57-W253 HydrophobicContact CG2-CH2 3.53Å; T57-W253 HydrophobicContact CG2-CZ2 4.17Å; T57-W253 HydrophobicContact CG2-CZ3 4.43Å; L219-W253 HydrophobicContact CB-CD2 4.19Å; L219-W253 HydrophobicContact CB-CE3 3.97Å; L219-W253 HydrophobicContact CB-CH2 3.86Å; L219-W253 HydrophobicContact CB-CZ2 4.09Å; L219-W253 HydrophobicContact CB-CZ3 3.79Å; L219-W253 HydrophobicContact CD1-CD2 3.96Å; L219-W253 HydrophobicContact CD1-CE3 4.44Å; L219-W253 HydrophobicContact CD1-CG 4.03Å; L219-W253 HydrophobicContact CD2-CB 4.43Å; L219-W253 HydrophobicContact CD2-CD2 4.03Å; L219-W253 HydrophobicContact CD2-CE3 3.75Å; L219-W253 HydrophobicContact CD2-CG 4.34Å; L219-W253 HydrophobicContact CD2-CZ3 4.31Å; L219-W253 HydrophobicContact CG-CD2 4.29Å; L219-W253 HydrophobicContact CG-CE3 4.26Å; L219-W253 WeakPolarHBondContact O-CH2 3.45Å; L219-W253 VanDerWaalsContact O-CZ3 3.3Å; L219-W253 WeakPolarHBondContact O-CZ3 3.18Å; S233-W253 CarbonylContact O-C 3.56Å; S233-W253 WeakPolarHBondContact O-CA 3.3Å; I234-W253 HydrophobicContact CD1-CB 3.78Å; I234-W253 HydrophobicContact CD1-CG 4.16Å; W253-N255 PolarHBondContact O-N 3.37Å; W253-T256 PolarHBondContact O-N 3.31Å; W253-T256 PolarHBondContact O-OG1 2.89Å; W253-T257 PolarHBondContact N-O 2.81Å; W253-T257 PolarHBondContact O-N 3.45Å; W253-V259 HydrophobicContact CB-CG1 4.16Å
254	N	94.2	Very high	89.9	Confident	61 Å²	61	40.4 Å²	40.4	33%	0.326	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	28.5	-178.9	-77.3	-8.2	0	0	0	114.8	S233 T256	S233-N254 WeakPolarHBondContact CB-OD1 3.47Å; S233-N254 PolarHBondContact O-N 2.87Å; N254-T256 PolarHBondContact O-N 3.18Å; N254-T256 VanDerWaalsContact O-N 3.13Å
255	N	92.8	Very high	90.4	Very high	120 Å²	120	37.8 Å²	37.8	64%	0.642	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	13.4	-173.6	-55.4	-54.5	0	0	0	115.1	Q235 L252 W253	Q235-N255 PolarHBondContact OE1-OD1 2.78Å; L252-N255 VanDerWaalsContact CD2-CA 3.47Å; L252-N255 HydrophobicContact CD2-CB 4.32Å; W253-N255 PolarHBondContact O-N 3.37Å
256	T	90.7	Very high	91	Very high	61 Å²	61	39 Å²	39	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-37	-174.1	54.2	0	0	0	0	113.9	W253 N254	W253-T256 PolarHBondContact O-N 3.31Å; W253-T256 PolarHBondContact O-OG1 2.89Å; N254-T256 PolarHBondContact O-N 3.18Å; N254-T256 VanDerWaalsContact O-N 3.13Å
257	T	93.2	Very high	90.6	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.4	-166	-52.7	0	0	0	0	111.2	R56 L219 W253	R56-T257 VanDerWaalsContact CD-OG1 3.29Å; R56-T257 WeakPolarHBondContact CD-OG1 3.25Å; L219-T257 HydrophobicContact CD2-CG2 3.88Å; W253-T257 PolarHBondContact N-O 2.81Å; W253-T257 PolarHBondContact O-N 3.45Å
258	P	95	Very high	89.6	Confident	48 Å²	48	43.2 Å²	43.2	31%	0.312	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.1	176.1	-22.6	33.7	0	0	0	111.4	G251 L252 L308	G251-P258 WeakPolarHBondContact O-CA 3.34Å; L252-P258 HydrophobicContact CD1-CG 4.33Å; P258-L308 HydrophobicContact CB-CB 4.42Å; P258-L308 HydrophobicContact CB-CD2 3.72Å
259	V	96	Very high	88.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.8	-178.5	-66.2	0	0	0	0	110.9	L219 I234 G251 W253 V261 Y293 I305	L219-V259 HydrophobicContact CD2-CG1 4.08Å; I234-V259 HydrophobicContact CD1-CG2 4.25Å; G251-V259 PolarHBondContact N-O 3.15Å; G251-V259 PolarHBondContact O-N 2.9Å; W253-V259 HydrophobicContact CB-CG1 4.16Å; V259-V261 HydrophobicContact CG2-CG2 3.93Å; V259-Y293 HydrophobicContact CG1-CD2 4.05Å; V259-Y293 HydrophobicContact CG1-CE2 4.38Å; V259-I305 HydrophobicContact CB-CG2 3.75Å; V259-I305 HydrophobicContact CG1-CG2 3.89Å; V259-I305 HydrophobicContact CG2-CG2 4Å
260	A	95.9	Very high	87.6	Confident	10 Å²	10	43 Å²	43	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.1	164.8	0	0	0	0	0	109.2	W249 I305 T306 L308	W249-A260 CarbonylContact O-C 3.54Å; W249-A260 WeakPolarHBondContact O-CA 3.47Å; A260-I305 WeakPolarHBondContact O-CA 3.4Å; A260-T306 PolarHBondContact N-O 2.83Å; A260-T306 PolarHBondContact O-N 3.26Å; A260-L308 HydrophobicContact CB-CD1 4.14Å
261	V	95	Very high	86.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	108	-176.8	-170.5	0	0	0	0	109.2	I234 L236 V248 W249 V259 T263 Y303 I304 I305	I234-V261 HydrophobicContact CG2-CG2 3.87Å; L236-V261 HydrophobicContact CD2-CB 3.79Å; L236-V261 HydrophobicContact CD2-CG1 3.87Å; L236-V261 HydrophobicContact CD2-CG2 3.9Å; V248-V261 CarbonylContact C-O 3.56Å; V248-V261 WeakPolarHBondContact CA-O 3.35Å; W249-V261 HydrophobicContact CB-CB 4.42Å; W249-V261 PolarHBondContact N-O 2.79Å; W249-V261 PolarHBondContact O-N 2.8Å; V259-V261 HydrophobicContact CG2-CG2 3.93Å; V261-T263 HydrophobicContact CG1-CG2 4.18Å; V261-Y303 HydrophobicContact CG1-CD1 3.93Å; V261-Y303 HydrophobicContact CG1-CD2 3.73Å; V261-Y303 HydrophobicContact CG1-CE1 4.42Å; V261-Y303 HydrophobicContact CG1-CE2 4.25Å; V261-Y303 HydrophobicContact CG1-CG 3.56Å; V261-I304 WeakPolarHBondContact CA-O 3.3Å; V261-I305 HydrophobicContact CG1-CG1 4.46Å; V261-I305 HydrophobicContact CG2-CG1 4.5Å
262	K	91.8	Very high	85.6	Confident	47 Å²	47	47.9 Å²	47.9	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.9	171.6	-165.8	177.4	-166.3	174.8	0	108.3	E247 V248 F274 E277 Y303 I304 D372	E247-K262 WeakPolarHBondContact O-CA 3.15Å; V248-K262 HydrophobicContact CG2-CG 4.2Å; K262-F274 HydrophobicContact CB-CZ 4.38Å; K262-F274 HydrophobicContact CD-CE2 4.11Å; K262-F274 HydrophobicContact CD-CZ 4.47Å; K262-F274 HydrophobicContact CG-CE2 3.99Å; K262-F274 HydrophobicContact CG-CZ 4.06Å; K262-E277 IonicContact NZ-OE1 3.71Å; K262-E277 PolarHBondContact NZ-OE1 2.93Å; K262-E277 IonicContact NZ-OE2 2.81Å; K262-E277 PolarHBondContact NZ-OE2 2.97Å; K262-Y303 WeakPolarHBondContact O-CA 3.39Å; K262-I304 HydrophobicContact CB-CB 4.3Å; K262-I304 PolarHBondContact N-O 3.01Å; K262-I304 PolarHBondContact O-N 3.15Å; K262-D372 IonicContact NZ-OD1 3.63Å
263	T	89.8	Confident	84.4	Confident	10 Å²	10	49.3 Å²	49.3	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.3	-175.3	64.1	0	0	0	0	110	G246 E247 V261 Y303	G246-T263 WeakPolarHBondContact CA-O 3.26Å; E247-T263 PolarHBondContact N-O 3.17Å; E247-T263 PolarHBondContact N-OG1 3.39Å; E247-T263 PolarHBondContact O-N 3.36Å; E247-T263 PolarHBondContact O-OG1 3Å; V261-T263 HydrophobicContact CG1-CG2 4.18Å; T263-Y303 HydrophobicContact CG2-CD1 3.6Å; T263-Y303 HydrophobicContact CG2-CE1 3.37Å
264	L	81.4	Confident	83.4	Confident	9 Å²	9	49 Å²	49	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124	173.9	-179.2	61.9	0	0	0	110.4	F245 S268 M269 P271 F274 P301 I302	F245-L264 WeakPolarHBondContact O-CD1 3.31Å; L264-S268 VanDerWaalsContact CD1-OG 3.26Å; L264-S268 WeakPolarHBondContact CD1-OG 3.15Å; L264-M269 HydrophobicContact CD1-CB 4.4Å; L264-M269 HydrophobicContact CD1-CG 3.52Å; L264-M269 HydrophobicContact CD1-SD 3.75Å; L264-M269 HydrophobicContact CD2-CG 4.46Å; L264-P271 HydrophobicContact CD2-CB 4.4Å; L264-P271 HydrophobicContact CD2-CG 4.14Å; L264-F274 HydrophobicContact CB-CD1 3.83Å; L264-F274 HydrophobicContact CB-CD2 4.14Å; L264-F274 HydrophobicContact CB-CE1 3.84Å; L264-F274 HydrophobicContact CB-CE2 4.15Å; L264-F274 HydrophobicContact CB-CG 3.98Å; L264-F274 HydrophobicContact CB-CZ 4.01Å; L264-F274 HydrophobicContact CD1-CB 4.24Å; L264-F274 HydrophobicContact CD1-CD2 3.94Å; L264-F274 HydrophobicContact CD1-CG 4.08Å; L264-F274 HydrophobicContact CD2-CB 3.93Å; L264-F274 HydrophobicContact CD2-CD1 4.24Å; L264-F274 HydrophobicContact CD2-CG 4.07Å; L264-F274 HydrophobicContact CG-CD1 4.49Å; L264-F274 HydrophobicContact CG-CD2 4.49Å; L264-F274 HydrophobicContact CG-CG 4.27Å; L264-P301 WeakPolarHBondContact O-CB 3.41Å; L264-I302 PolarHBondContact N-O 3.28Å
265	K	76.1	Confident	82.7	Confident	80 Å²	80	46.9 Å²	46.9	35%	0.348	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-71.7	132.6	172.3	-74.5	-178.2	-174.4	178.7	0	109.5	S242 F245 E247 G267 S268	S242-K265 PolarHBondContact OG-NZ 3.16Å; F245-K265 PolarHBondContact O-N 3.04Å; E247-K265 IonicContact OE1-NZ 3.85Å; K265-G267 PolarHBondContact O-N 3.27Å; K265-S268 WeakPolarHBondContact O-CB 3.38Å; K265-S268 PolarHBondContact O-N 3.08Å; K265-S268 VanDerWaalsContact O-N 3.08Å; K265-S268 PolarHBondContact O-OG 3.34Å
266	P	76.9	Confident	81.9	Confident	117 Å²	117	44.8 Å²	44.8	76%	0.76	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	129	175.5	-27.6	35.2	0	0	0	111.7	S268	P266-S268 VanDerWaalsContact C-N 3.31Å; P266-S268 PolarHBondContact O-N 2.74Å
267	G	71	Confident	81.3	Confident	86 Å²	86	42.7 Å²	42.7	89%	0.887	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	3.5	179.3	0	0	0	0	0	116.3	K265	K265-G267 PolarHBondContact O-N 3.27Å
268	S	69.2	Low	80.8	Confident	42 Å²	42	42.6 Å²	42.6	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-81.1	-32.2	179.1	68.3	0	0	0	0	113.9	F245 L264 K265 P266	F245-S268 PolarHBondContact O-OG 3.35Å; L264-S268 VanDerWaalsContact CD1-OG 3.26Å; L264-S268 WeakPolarHBondContact CD1-OG 3.15Å; K265-S268 WeakPolarHBondContact O-CB 3.38Å; K265-S268 PolarHBondContact O-N 3.08Å; K265-S268 VanDerWaalsContact O-N 3.08Å; K265-S268 PolarHBondContact O-OG 3.34Å; P266-S268 VanDerWaalsContact C-N 3.31Å; P266-S268 PolarHBondContact O-N 2.74Å
269	M	72.5	Confident	80.1	Confident	53 Å²	53	43.5 Å²	43.5	26%	0.261	24%	0.243	S	C	.	.	S	Bend	trans	-159.2	167.9	174.7	91.6	-161.1	-72.4	0	0	111	F245 L264 P271 D273 F274	F245-M269 HydrophobicContact CB-SD 3.82Å; F245-M269 HydrophobicContact CD1-CB 4.29Å; F245-M269 HydrophobicContact CD1-CE 4.45Å; F245-M269 HydrophobicContact CD1-SD 4.29Å; F245-M269 HydrophobicContact CG-CE 4.5Å; F245-M269 HydrophobicContact CG-SD 4.16Å; L264-M269 HydrophobicContact CD1-CB 4.4Å; L264-M269 HydrophobicContact CD1-CG 3.52Å; L264-M269 HydrophobicContact CD1-SD 3.75Å; L264-M269 HydrophobicContact CD2-CG 4.46Å; M269-P271 WeakPolarHBondContact O-CD 3.49Å; M269-D273 HydrophobicContact CE-CB 3.68Å; M269-F274 HydrophobicContact CG-CB 4.15Å; M269-F274 HydrophobicContact SD-CB 3.72Å; M269-F274 HydrophobicContact SD-CD2 3.85Å; M269-F274 HydrophobicContact SD-CG 4.27Å
270	D	73	Confident	79.4	Confident	55 Å²	55	44 Å²	44	29%	0.294	25%	0.245	S	C	.	.			trans	-64.8	125.1	170.6	-172.2	-35.7	0	0	0	110	R272 D273 F274	D270-R272 PolarHBondContact O-N 3.04Å; D270-R272 VanDerWaalsContact OD1-CB 3.28Å; D270-R272 WeakPolarHBondContact OD1-CB 3.31Å; D270-R272 WeakPolarHBondContact OD1-CG 3.42Å; D270-R272 PolarHBondContact OD1-N 3.49Å; D270-R272 IonicContact OD1-NE 3.41Å; D270-R272 PolarHBondContact OD1-NE 3.03Å; D270-R272 IonicContact OD2-CZ 2.65Å; D270-R272 VanDerWaalsContact OD2-CZ 3.3Å; D270-R272 IonicContact OD2-NE 3.02Å; D270-R272 PolarHBondContact OD2-NE 3.02Å; D270-R272 IonicContact OD2-NH2 3.62Å; D270-R272 PolarHBondContact OD2-NH2 3.07Å; D270-D273 HydrophobicContact CB-CB 4.43Å; D270-D273 WeakPolarHBondContact O-CB 3.34Å; D270-D273 PolarHBondContact O-N 3.33Å; D270-F274 PolarHBondContact O-N 2.95Å; D270-F274 VanDerWaalsContact O-N 3.14Å
271	P	76.1	Confident	78.8	Confident	38 Å²	38	43.6 Å²	43.6	25%	0.247	24%	0.242	C	C	.	.	H	α-helix	trans	-44.6	-34.2	172.1	-35.2	40.3	0	0	0	115.3	L264 M269 F274 L275 I302	L264-P271 HydrophobicContact CD2-CB 4.4Å; L264-P271 HydrophobicContact CD2-CG 4.14Å; M269-P271 WeakPolarHBondContact O-CD 3.49Å; P271-F274 WeakPolarHBondContact O-CB 3.47Å; P271-F274 PolarHBondContact O-N 3.49Å; P271-L275 WeakPolarHBondContact O-CB 3.4Å; P271-L275 WeakPolarHBondContact O-CG 3.34Å; P271-L275 PolarHBondContact O-N 3.36Å; P271-I302 HydrophobicContact CB-CD1 3.66Å; P271-I302 HydrophobicContact CG-CD1 4.36Å
272	R	74.8	Confident	78.1	Confident	115 Å²	115	47.3 Å²	47.3	43%	0.434	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-38.5	177.1	-65.9	176.2	-69.3	-170.1	0.9	112.5	Y11 D270 F274 R276	Y11-R272 HydrophobicContact CD1-CG 3.71Å; Y11-R272 HydrophobicContact CE1-CG 4.35Å; D270-R272 PolarHBondContact O-N 3.04Å; D270-R272 VanDerWaalsContact OD1-CB 3.28Å; D270-R272 WeakPolarHBondContact OD1-CB 3.31Å; D270-R272 WeakPolarHBondContact OD1-CG 3.42Å; D270-R272 PolarHBondContact OD1-N 3.49Å; D270-R272 IonicContact OD1-NE 3.41Å; D270-R272 PolarHBondContact OD1-NE 3.03Å; D270-R272 IonicContact OD2-CZ 2.65Å; D270-R272 VanDerWaalsContact OD2-CZ 3.3Å; D270-R272 IonicContact OD2-NE 3.02Å; D270-R272 PolarHBondContact OD2-NE 3.02Å; D270-R272 IonicContact OD2-NH2 3.62Å; D270-R272 PolarHBondContact OD2-NH2 3.07Å; R272-F274 VanDerWaalsContact C-N 3.32Å; R272-R276 PolarHBondContact O-N 3.3Å; R272-R276 VanDerWaalsContact O-N 3.13Å
273	D	71.1	Confident	77.6	Confident	64 Å²	64	49 Å²	49	34%	0.342	27%	0.269	S	S	.	.	H	α-helix	trans	-70.6	-33.8	175.6	-72.8	-34.7	0	0	0	111.1	M269 D270 R276	M269-D273 HydrophobicContact CE-CB 3.68Å; D270-D273 HydrophobicContact CB-CB 4.43Å; D270-D273 WeakPolarHBondContact O-CB 3.34Å; D270-D273 PolarHBondContact O-N 3.33Å; D273-R276 WeakPolarHBondContact O-CB 3.39Å; D273-R276 IonicContact OD1-CZ 3.63Å; D273-R276 IonicContact OD1-NH1 3.15Å; D273-R276 PolarHBondContact OD1-NH1 2.85Å; D273-R276 IonicContact OD1-NH2 2.82Å; D273-R276 PolarHBondContact OD1-NH2 3.48Å
274	F	74.5	Confident	77.4	Confident	5 Å²	5	48.7 Å²	48.7	2%	0.022	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-48.2	173.5	-173.4	-112.1	0	0	0	112	K262 L264 M269 D270 P271 R272 R276 E277 I302 I304	K262-F274 HydrophobicContact CB-CZ 4.38Å; K262-F274 HydrophobicContact CD-CE2 4.11Å; K262-F274 HydrophobicContact CD-CZ 4.47Å; K262-F274 HydrophobicContact CG-CE2 3.99Å; K262-F274 HydrophobicContact CG-CZ 4.06Å; L264-F274 HydrophobicContact CB-CD1 3.83Å; L264-F274 HydrophobicContact CB-CD2 4.14Å; L264-F274 HydrophobicContact CB-CE1 3.84Å; L264-F274 HydrophobicContact CB-CE2 4.15Å; L264-F274 HydrophobicContact CB-CG 3.98Å; L264-F274 HydrophobicContact CB-CZ 4.01Å; L264-F274 HydrophobicContact CD1-CB 4.24Å; L264-F274 HydrophobicContact CD1-CD2 3.94Å; L264-F274 HydrophobicContact CD1-CG 4.08Å; L264-F274 HydrophobicContact CD2-CB 3.93Å; L264-F274 HydrophobicContact CD2-CD1 4.24Å; L264-F274 HydrophobicContact CD2-CG 4.07Å; L264-F274 HydrophobicContact CG-CD1 4.49Å; L264-F274 HydrophobicContact CG-CD2 4.49Å; L264-F274 HydrophobicContact CG-CG 4.27Å; M269-F274 HydrophobicContact CG-CB 4.15Å; M269-F274 HydrophobicContact SD-CB 3.72Å; M269-F274 HydrophobicContact SD-CD2 3.85Å; M269-F274 HydrophobicContact SD-CG 4.27Å; D270-F274 PolarHBondContact O-N 2.95Å; D270-F274 VanDerWaalsContact O-N 3.14Å; P271-F274 WeakPolarHBondContact O-CB 3.47Å; P271-F274 PolarHBondContact O-N 3.49Å; R272-F274 VanDerWaalsContact C-N 3.32Å; F274-R276 PolarHBondContact O-N 3.31Å; F274-E277 PolarHBondContact O-N 3.2Å; F274-I302 HydrophobicContact CD1-CB 4.18Å; F274-I302 HydrophobicContact CD1-CG2 3.85Å; F274-I302 HydrophobicContact CE1-CB 4.14Å; F274-I302 HydrophobicContact CE1-CG2 3.81Å; F274-I304 HydrophobicContact CD1-CD1 3.96Å; F274-I304 HydrophobicContact CD1-CG1 4.31Å; F274-I304 HydrophobicContact CD2-CD1 4.46Å; F274-I304 HydrophobicContact CE1-CD1 3.65Å; F274-I304 HydrophobicContact CE1-CG1 3.67Å; F274-I304 HydrophobicContact CE2-CD1 4.18Å; F274-I304 HydrophobicContact CG-CD1 4.37Å; F274-I304 HydrophobicContact CZ-CD1 3.76Å; F274-I304 HydrophobicContact CZ-CG1 3.98Å; F274-I304 WeakPolarHBondContact O-CD1 3.44Å
275	L	79.4	Confident	77.6	Confident	16 Å²	16	51 Å²	51	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-70.3	-15.2	179.4	-71.8	175	0	0	0	113.8	P271 E277 A278 Q279 T297 I302	P271-L275 WeakPolarHBondContact O-CB 3.4Å; P271-L275 WeakPolarHBondContact O-CG 3.34Å; P271-L275 PolarHBondContact O-N 3.36Å; L275-E277 PolarHBondContact O-N 2.72Å; L275-A278 PolarHBondContact O-N 3.38Å; L275-Q279 PolarHBondContact O-N 3.44Å; L275-T297 HydrophobicContact CD1-CG2 4.16Å; L275-T297 HydrophobicContact CD2-CG2 3.8Å; L275-I302 HydrophobicContact CD1-CD1 4.37Å; L275-I302 HydrophobicContact CD2-CG2 3.82Å; L275-I302 HydrophobicContact CG-CG2 4.4Å
276	R	76.9	Confident	78.4	Confident	75 Å²	75	49 Å²	49	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-36.3	175.1	-169.3	178.7	-67.6	129	4.7	112.1	R272 D273 F274 Q279 I280 R377	R272-R276 PolarHBondContact O-N 3.3Å; R272-R276 VanDerWaalsContact O-N 3.13Å; D273-R276 WeakPolarHBondContact O-CB 3.39Å; D273-R276 IonicContact OD1-CZ 3.63Å; D273-R276 IonicContact OD1-NH1 3.15Å; D273-R276 PolarHBondContact OD1-NH1 2.85Å; D273-R276 IonicContact OD1-NH2 2.82Å; D273-R276 PolarHBondContact OD1-NH2 3.48Å; F274-R276 PolarHBondContact O-N 3.31Å; R276-Q279 PolarHBondContact O-N 2.65Å; R276-I280 HydrophobicContact CG-CD1 4.48Å; R276-I280 WeakPolarHBondContact O-CG1 3.31Å; R276-I280 PolarHBondContact O-N 2.84Å; R276-I280 VanDerWaalsContact O-N 3.09Å; R276-R377 VanDerWaalsContact NH1-NH2 3.17Å
277	E	78.7	Confident	79	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-47.7	175.7	-171	-179.7	165	0	0	110.9	K262 F274 L275 Q279 I280 M281 I304 F373	K262-E277 IonicContact NZ-OE1 3.71Å; K262-E277 PolarHBondContact NZ-OE1 2.93Å; K262-E277 IonicContact NZ-OE2 2.81Å; K262-E277 PolarHBondContact NZ-OE2 2.97Å; F274-E277 PolarHBondContact O-N 3.2Å; L275-E277 PolarHBondContact O-N 2.72Å; E277-Q279 VanDerWaalsContact C-N 3.32Å; E277-Q279 PolarHBondContact O-N 3.02Å; E277-I280 PolarHBondContact O-N 3.37Å; E277-M281 HydrophobicContact CG-CE 3.81Å; E277-M281 WeakPolarHBondContact O-CG 3.48Å; E277-M281 PolarHBondContact O-N 3.24Å; E277-I304 HydrophobicContact CB-CD1 4.48Å; E277-F373 HydrophobicContact CG-CB 4.15Å
278	A	82.9	Confident	80.1	Confident	7 Å²	7	45 Å²	45	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-39.4	175.8	0	0	0	0	0	112	L275 I280 M281 K282 L292 V295 I304	L275-A278 PolarHBondContact O-N 3.38Å; A278-I280 VanDerWaalsContact C-N 3.31Å; A278-I280 PolarHBondContact O-N 2.86Å; A278-M281 PolarHBondContact O-N 3.08Å; A278-K282 WeakPolarHBondContact O-CB 3.33Å; A278-K282 PolarHBondContact O-N 2.99Å; A278-L292 HydrophobicContact CB-CD1 4.3Å; A278-L292 HydrophobicContact CB-CD2 4.11Å; A278-L292 WeakPolarHBondContact O-CD2 3.46Å; A278-V295 HydrophobicContact CB-CG1 3.8Å; A278-I304 HydrophobicContact CB-CD1 4.13Å; A278-I304 HydrophobicContact CB-CG1 4.22Å; A278-I304 HydrophobicContact CB-CG2 4.43Å
279	Q	80	Confident	81.3	Confident	67 Å²	67	43.2 Å²	43.2	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-36.8	178.3	-174.9	62.6	13.6	0	0	112.9	L275 R276 E277	L275-Q279 PolarHBondContact O-N 3.44Å; R276-Q279 PolarHBondContact O-N 2.65Å; E277-Q279 VanDerWaalsContact C-N 3.32Å; E277-Q279 PolarHBondContact O-N 3.02Å
280	I	79.9	Confident	82.3	Confident	9 Å²	9	41 Å²	41	5%	0.046	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-50.5	174.7	-70.6	172.9	0	0	0	109.7	R276 E277 A278 K282 N283 L284 Y350 F373 A376	R276-I280 HydrophobicContact CG-CD1 4.48Å; R276-I280 WeakPolarHBondContact O-CG1 3.31Å; R276-I280 PolarHBondContact O-N 2.84Å; R276-I280 VanDerWaalsContact O-N 3.09Å; E277-I280 PolarHBondContact O-N 3.37Å; A278-I280 VanDerWaalsContact C-N 3.31Å; A278-I280 PolarHBondContact O-N 2.86Å; I280-K282 VanDerWaalsContact C-N 3.25Å; I280-K282 PolarHBondContact O-N 2.79Å; I280-N283 PolarHBondContact O-N 3.04Å; I280-L284 HydrophobicContact CG2-CD1 3.57Å; I280-L284 WeakPolarHBondContact O-CG 3.39Å; I280-Y350 HydrophobicContact CB-CE1 4.22Å; I280-Y350 HydrophobicContact CG1-CE1 4.11Å; I280-Y350 HydrophobicContact CG2-CD1 3.82Å; I280-Y350 HydrophobicContact CG2-CE1 3.6Å; I280-F373 HydrophobicContact CG2-CB 4.08Å; I280-F373 HydrophobicContact CG2-CD1 4.43Å; I280-F373 HydrophobicContact CG2-CG 4.29Å; I280-A376 HydrophobicContact CD1-CB 3.89Å; I280-A376 WeakPolarHBondContact CD1-O 3.26Å; I280-A376 HydrophobicContact CG2-CB 4.41Å
281	M	83.4	Confident	83.2	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-30.3	-178.8	-68.2	-174.4	-67.8	0	0	113.3	E277 A278 N283 L284 I290 L292 I304 T306 F373	E277-M281 HydrophobicContact CG-CE 3.81Å; E277-M281 WeakPolarHBondContact O-CG 3.48Å; E277-M281 PolarHBondContact O-N 3.24Å; A278-M281 PolarHBondContact O-N 3.08Å; M281-N283 PolarHBondContact O-N 2.98Å; M281-N283 VanDerWaalsContact O-N 3.12Å; M281-L284 PolarHBondContact O-N 3.27Å; M281-L284 VanDerWaalsContact O-N 3.08Å; M281-I290 HydrophobicContact SD-CG2 4.02Å; M281-L292 HydrophobicContact CB-CB 3.65Å; M281-L292 HydrophobicContact CB-CD2 4.32Å; M281-L292 HydrophobicContact CE-CB 4.39Å; M281-L292 HydrophobicContact CE-CD1 4.16Å; M281-L292 HydrophobicContact SD-CB 4.48Å; M281-I304 HydrophobicContact CE-CG2 3.85Å; M281-T306 HydrophobicContact CE-CG2 4.39Å; M281-T306 HydrophobicContact SD-CG2 4.45Å; M281-F373 HydrophobicContact CG-CD2 3.29Å; M281-F373 HydrophobicContact CG-CE2 3.65Å; M281-F373 HydrophobicContact CG-CG 4.21Å; M281-F373 HydrophobicContact SD-CD2 3.63Å; M281-F373 HydrophobicContact SD-CE2 3.98Å
282	K	81.1	Confident	83.8	Confident	79 Å²	79	37.8 Å²	37.8	34%	0.343	18%	0.179	S	C	.	.	H	α-helix	trans	-52.1	-37.5	-178.9	-175.8	178.2	179.6	178.7	0	113.6	W227 A278 I280 L292	W227-K282 HydrophobicContact CD2-CG 4.36Å; W227-K282 HydrophobicContact CZ2-CG 4.11Å; A278-K282 WeakPolarHBondContact O-CB 3.33Å; A278-K282 PolarHBondContact O-N 2.99Å; I280-K282 VanDerWaalsContact C-N 3.25Å; I280-K282 PolarHBondContact O-N 2.79Å; K282-L292 HydrophobicContact CB-CD2 4.41Å
283	N	80.2	Confident	84.6	Confident	82 Å²	82	33.2 Å²	33.2	44%	0.439	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	6.5	-175.6	-61	-55.3	0	0	0	113.3	I280 M281	I280-N283 PolarHBondContact O-N 3.04Å; M281-N283 PolarHBondContact O-N 2.98Å; M281-N283 VanDerWaalsContact O-N 3.12Å
284	L	86.1	Confident	85.6	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	15%	0.145	C	C	.	.			trans	-109.6	110.5	-180	-64.3	175.9	0	0	0	108.7	I280 M281 L289 Y344 L345 R348 Y350 F373	I280-L284 HydrophobicContact CG2-CD1 3.57Å; I280-L284 WeakPolarHBondContact O-CG 3.39Å; M281-L284 PolarHBondContact O-N 3.27Å; M281-L284 VanDerWaalsContact O-N 3.08Å; L284-L289 HydrophobicContact CB-CD1 4.25Å; L284-Y344 HydrophobicContact CB-CE1 4.18Å; L284-Y344 HydrophobicContact CD2-CD1 4.48Å; L284-Y344 HydrophobicContact CD2-CE1 3.75Å; L284-L345 HydrophobicContact CD1-CD2 3.62Å; L284-L345 HydrophobicContact CD2-CD2 3.95Å; L284-L345 HydrophobicContact CG-CD2 4.37Å; L284-R348 HydrophobicContact CD2-CB 4.2Å; L284-R348 HydrophobicContact CD2-CG 4.36Å; L284-Y350 HydrophobicContact CD1-CD1 4.32Å; L284-Y350 HydrophobicContact CD1-CE1 4.39Å; L284-Y350 HydrophobicContact CD1-CG 4.44Å; L284-Y350 HydrophobicContact CD2-CD2 3.72Å; L284-Y350 HydrophobicContact CD2-CE2 3.7Å; L284-Y350 HydrophobicContact CD2-CG 4.26Å; L284-Y350 HydrophobicContact CG-CE2 4.41Å; L284-F373 HydrophobicContact CD1-CE1 4.37Å
285	R	86.8	Confident	86.4	Confident	57 Å²	57	30.4 Å²	30.4	22%	0.215	15%	0.147	C	C	.	.			trans	-125.2	108	177.7	-67.3	-173.2	-176.6	-100.7	5.4	108.8	F217 D218 Y344	F217-R285 VanDerWaalsContact CE1-CZ 3.42Å; F217-R285 VanDerWaalsContact CZ-CZ 3.45Å; D218-R285 IonicContact OD2-NH1 3.11Å; R285-Y344 PolarHBondContact N-OH 2.73Å; R285-Y344 WeakPolarHBondContact O-CE2 3.38Å; R285-Y344 VanDerWaalsContact O-CZ 3.25Å; R285-Y344 PolarHBondContact O-OH 3.2Å
286	H	90.9	Very high	87	Confident	38 Å²	38	29.9 Å²	29.9	18%	0.176	15%	0.145	C	C	.	.			trans	-155.7	139.2	177.8	-174.8	-94.1	0	0	0	110.5	K288 L289 S340 Y344	H286-K288 PolarHBondContact ND1-N 3.34Å; H286-K288 PolarHBondContact O-N 3.12Å; H286-L289 HydrophobicContact CB-CB 4.36Å; H286-L289 HydrophobicContact CB-CD1 4.05Å; H286-L289 HydrophobicContact CB-CG 3.96Å; H286-L289 PolarHBondContact O-N 2.97Å; H286-S340 PolarHBondContact CE1-OG 3.46Å; H286-S340 VanDerWaalsContact CE1-OG 3.28Å; H286-Y344 HydrophobicContact CB-CD1 3.68Å; H286-Y344 HydrophobicContact CB-CD2 4.1Å; H286-Y344 HydrophobicContact CB-CE1 3.99Å; H286-Y344 HydrophobicContact CB-CE2 4.4Å; H286-Y344 HydrophobicContact CB-CG 3.71Å; H286-Y344 AromaticContact CD2-CD2 3.8Å; H286-Y344 AromaticContact CD2-CG 3.74Å; H286-Y344 AromaticContact CG-CG 3.8Å
287	P	90.4	Very high	87.4	Confident	88 Å²	88	26.6 Å²	26.6	57%	0.571	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.1	-176.2	23.7	-36.4	0	0	0	114.9	K369	P287-K369 WeakPolarHBondContact O-CE 3.17Å
288	K	95.1	Very high	87.6	Confident	33 Å²	33	29.4 Å²	29.4	14%	0.143	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	13.4	178.7	-50.3	-57.9	177.3	-174.7	0	114	H286 Q337 K369 V370	H286-K288 PolarHBondContact ND1-N 3.34Å; H286-K288 PolarHBondContact O-N 3.12Å; K288-Q337 VanDerWaalsContact CB-O 3.22Å; K288-Q337 WeakPolarHBondContact CB-O 3.48Å; K288-Q337 HydrophobicContact CD-CB 3.96Å; K288-Q337 HydrophobicContact CD-CG 4.09Å; K288-Q337 HydrophobicContact CG-CB 4.46Å; K288-Q337 WeakPolarHBondContact CG-O 3.26Å; K288-K369 WeakPolarHBondContact O-CA 3.04Å; K288-V370 PolarHBondContact O-N 3.36Å
289	L	94.4	Very high	87.7	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-115.5	147.7	169.1	-61.3	-174.7	0	0	0	109.2	L284 H286 Q291 Y344 L345 V370 F373	L284-L289 HydrophobicContact CB-CD1 4.25Å; H286-L289 HydrophobicContact CB-CB 4.36Å; H286-L289 HydrophobicContact CB-CD1 4.05Å; H286-L289 HydrophobicContact CB-CG 3.96Å; H286-L289 PolarHBondContact O-N 2.97Å; L289-Q291 PolarHBondContact O-N 2.88Å; L289-Y344 HydrophobicContact CD1-CD1 3.57Å; L289-Y344 HydrophobicContact CD1-CE1 3.96Å; L289-L345 HydrophobicContact CD1-CD2 3.56Å; L289-L345 HydrophobicContact CD1-CG 4.08Å; L289-L345 HydrophobicContact CD2-CD1 4.33Å; L289-L345 HydrophobicContact CD2-CD2 4.46Å; L289-L345 HydrophobicContact CD2-CG 4.24Å; L289-V370 HydrophobicContact CD2-CB 3.72Å; L289-V370 HydrophobicContact CD2-CG1 4.39Å; L289-V370 HydrophobicContact CD2-CG2 4.29Å; L289-F373 HydrophobicContact CB-CZ 4.31Å; L289-F373 HydrophobicContact CD1-CZ 4.36Å; L289-F373 HydrophobicContact CD2-CZ 4.16Å
290	I	93.4	Very high	87.8	Confident	8 Å²	8	37.2 Å²	37.2	4%	0.041	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-65.1	126.6	174.9	-163	71.7	0	0	0	109.8	M281 E307 M309 L361 V370 A371 F373	M281-I290 HydrophobicContact SD-CG2 4.02Å; I290-E307 HydrophobicContact CD1-CG 3.3Å; I290-E307 HydrophobicContact CG1-CG 4.1Å; I290-M309 HydrophobicContact CD1-CG 3.55Å; I290-M309 HydrophobicContact CD1-SD 4.28Å; I290-L361 HydrophobicContact CD1-CD1 3.85Å; I290-L361 HydrophobicContact CG1-CD1 4.3Å; I290-V370 PolarHBondContact N-O 3.34Å; I290-A371 HydrophobicContact CB-CB 4Å; I290-A371 HydrophobicContact CG2-CB 3.78Å; I290-F373 HydrophobicContact CG2-CD2 4.39Å; I290-F373 HydrophobicContact CG2-CE2 3.75Å
291	Q	90.3	Very high	88.1	Confident	21 Å²	21	38.9 Å²	38.9	10%	0.098	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-85.1	123.4	-178.1	-174	58.1	57.2	0	0	110.3	L289 Y293 T306 E307	L289-Q291 PolarHBondContact O-N 2.88Å; Q291-Y293 HydrophobicContact CB-CE1 4.33Å; Q291-Y293 HydrophobicContact CG-CD1 4.01Å; Q291-Y293 HydrophobicContact CG-CE1 3.88Å; Q291-T306 VanDerWaalsContact O-CA 3.25Å; Q291-T306 WeakPolarHBondContact O-CA 3.29Å; Q291-T306 VanDerWaalsContact O-CB 3.25Å; Q291-T306 WeakPolarHBondContact O-CB 3.37Å; Q291-E307 WeakPolarHBondContact CB-OE1 3.43Å; Q291-E307 PolarHBondContact N-OE1 2.71Å; Q291-E307 PolarHBondContact O-N 2.73Å
292	L	90.6	Very high	88.3	Confident	3 Å²	3	39 Å²	39	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.8	161.1	176.6	72.8	0	0	0	108.3	W227 A278 M281 K282 A294 V295 I304	W227-L292 HydrophobicContact CE3-CD2 3.81Å; W227-L292 HydrophobicContact CE3-CG 4Å; W227-L292 HydrophobicContact CZ3-CB 4.27Å; W227-L292 HydrophobicContact CZ3-CD2 4.03Å; W227-L292 HydrophobicContact CZ3-CG 4.04Å; W227-L292 WeakPolarHBondContact CZ3-O 3.49Å; A278-L292 HydrophobicContact CB-CD1 4.3Å; A278-L292 HydrophobicContact CB-CD2 4.11Å; A278-L292 WeakPolarHBondContact O-CD2 3.46Å; M281-L292 HydrophobicContact CB-CB 3.65Å; M281-L292 HydrophobicContact CB-CD2 4.32Å; M281-L292 HydrophobicContact CE-CB 4.39Å; M281-L292 HydrophobicContact CE-CD1 4.16Å; M281-L292 HydrophobicContact SD-CB 4.48Å; K282-L292 HydrophobicContact CB-CD2 4.41Å; L292-A294 WeakPolarHBondContact CD1-O 3.36Å; L292-V295 HydrophobicContact CD1-CG1 4.32Å; L292-I304 HydrophobicContact CD1-CG2 3.64Å
293	Y	90.5	Very high	88.8	Confident	19 Å²	19	36.3 Å²	36.3	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-47	172.2	-75	-26.6	0	0	0	111.8	L219 V259 Q291 I305 E307	L219-Y293 HydrophobicContact CD1-CD2 4.42Å; L219-Y293 HydrophobicContact CD1-CG 4.27Å; L219-Y293 HydrophobicContact CD2-CD2 3.63Å; L219-Y293 HydrophobicContact CD2-CE2 4Å; L219-Y293 HydrophobicContact CD2-CG 4.03Å; L219-Y293 HydrophobicContact CG-CD1 4.37Å; L219-Y293 HydrophobicContact CG-CD2 3.91Å; L219-Y293 HydrophobicContact CG-CG 3.77Å; V259-Y293 HydrophobicContact CG1-CD2 4.05Å; V259-Y293 HydrophobicContact CG1-CE2 4.38Å; Q291-Y293 HydrophobicContact CB-CE1 4.33Å; Q291-Y293 HydrophobicContact CG-CD1 4.01Å; Q291-Y293 HydrophobicContact CG-CE1 3.88Å; Y293-I305 PolarHBondContact N-O 3.22Å; Y293-E307 VanDerWaalsContact CE2-CA 3.44Å; Y293-E307 HydrophobicContact CE2-CB 3.74Å; Y293-E307 WeakPolarHBondContact OH-CB 3.38Å
294	A	91.4	Very high	89.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	171.4	-174.3	0	0	0	0	0	112.2	L219 W227 I229 L292 I305	L219-A294 HydrophobicContact CD1-CB 4.31Å; W227-A294 CarbonylContact O-C 3.57Å; W227-A294 WeakPolarHBondContact O-CA 3.42Å; W227-A294 VanDerWaalsContact O-CB 3.27Å; W227-A294 WeakPolarHBondContact O-CB 3.5Å; I229-A294 HydrophobicContact CB-CB 4.48Å; I229-A294 HydrophobicContact CD1-CB 3.73Å; I229-A294 HydrophobicContact CG1-CB 3.89Å; I229-A294 HydrophobicContact CG2-CB 3.86Å; L292-A294 WeakPolarHBondContact CD1-O 3.36Å; A294-I305 HydrophobicContact CB-CB 4.27Å; A294-I305 HydrophobicContact CB-CD1 3.83Å; A294-I305 PolarHBondContact N-O 2.99Å; A294-I305 WeakPolarHBondContact O-CB 3.43Å; A294-I305 PolarHBondContact O-N 3.46Å
295	V	91.6	Very high	89.7	Confident	11 Å²	11	32.4 Å²	32.4	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.9	169.6	-64.5	0	0	0	0	110.1	W227 E228 I229 A278 L292 T297 Y303 I304	W227-V295 PolarHBondContact O-N 3.33Å; E228-V295 WeakPolarHBondContact CA-O 3.43Å; E228-V295 HydrophobicContact CB-CG2 4.4Å; I229-V295 PolarHBondContact N-O 3.34Å; A278-V295 HydrophobicContact CB-CG1 3.8Å; L292-V295 HydrophobicContact CD1-CG1 4.32Å; V295-T297 HydrophobicContact CB-CG2 3.97Å; V295-T297 HydrophobicContact CG2-CG2 3.82Å; V295-Y303 CarbonylContact C-O 3.58Å; V295-Y303 VanDerWaalsContact CA-O 3.22Å; V295-Y303 WeakPolarHBondContact CA-O 3.49Å; V295-I304 HydrophobicContact CG1-CG1 4.41Å
296	C	91.5	Very high	90.1	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	107	166.3	-55.8	0	0	0	0	108	I229 R231 I302 Y303	I229-C296 PolarHBondContact O-SG 2.86Å; I229-C296 VanDerWaalsContact O-SG 3.34Å; R231-C296 HydrophobicContact CB-CB 4.4Å; C296-I302 WeakPolarHBondContact O-CA 3.38Å; C296-Y303 HydrophobicContact CB-CD2 4.35Å; C296-Y303 HydrophobicContact CB-CG 4.41Å; C296-Y303 PolarHBondContact N-O 2.88Å; C296-Y303 PolarHBondContact O-N 3.42Å
297	T	86.8	Confident	90.1	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.043	16%	0.158	C	C	.	.			trans	-119.2	-10.5	-173.6	80.6	0	0	0	0	113.8	L8 E228 L275 V295 E299 I302	L8-T297 HydrophobicContact CD1-CG2 4.17Å; L8-T297 WeakPolarHBondContact CD1-OG1 3.03Å; E228-T297 WeakPolarHBondContact OE1-CA 3.43Å; E228-T297 WeakPolarHBondContact OE1-CB 3.43Å; E228-T297 PolarHBondContact OE1-N 2.71Å; E228-T297 PolarHBondContact OE1-OG1 2.69Å; L275-T297 HydrophobicContact CD1-CG2 4.16Å; L275-T297 HydrophobicContact CD2-CG2 3.8Å; V295-T297 HydrophobicContact CB-CG2 3.97Å; V295-T297 HydrophobicContact CG2-CG2 3.82Å; T297-E299 VanDerWaalsContact C-N 3.25Å; T297-E299 PolarHBondContact O-N 3.49Å; T297-I302 HydrophobicContact CG2-CG2 4.2Å
298	L	83.1	Confident	90.3	Very high	76 Å²	76	27 Å²	27	40%	0.398	14%	0.138	S	C	.	.	S	Bend	trans	-62	-31.3	-179.6	-60.4	-176.5	0	0	0	113.8	R7 E228	R7-L298 PolarHBondContact NH1-O 3.2Å; E228-L298 HydrophobicContact CG-CG 4.47Å; E228-L298 WeakPolarHBondContact OE1-CG 3.34Å; E228-L298 PolarHBondContact OE1-N 2.86Å; E228-L298 VanDerWaalsContact OE1-N 3.16Å
299	E	83.2	Confident	90.3	Very high	116 Å²	116	26.2 Å²	26.2	54%	0.542	14%	0.135	S	C	.	.	S	Bend	trans	-133.3	158.1	-176.9	-62.2	179.2	174.4	0	0	110.5	R231 T297	R231-E299 IonicContact NE-OE2 3.21Å; R231-E299 PolarHBondContact NH2-O 3.47Å; T297-E299 VanDerWaalsContact C-N 3.25Å; T297-E299 PolarHBondContact O-N 3.49Å
300	D	82.4	Confident	90.2	Very high	123 Å²	123	32.2 Å²	32.2	66%	0.658	16%	0.158	S	C	*	.	S	Bend	trans	-86.9	151.2	169.9	-81.2	-46.3	0	0	0	112.1
301	P	86.9	Confident	90.2	Very high	44 Å²	44	36.1 Å²	36.1	29%	0.286	18%	0.176	S	C	.	.	S	Bend	cis	-80.6	135.4	-6.3	29.6	-32.6	0	0	0	112.2	R231 L264 Y303	R231-P301 PolarHBondContact NH1-O 3.5Å; R231-P301 VanDerWaalsContact NH2-C 3.31Å; R231-P301 PolarHBondContact NH2-O 3.33Å; L264-P301 WeakPolarHBondContact O-CB 3.41Å; P301-Y303 HydrophobicContact CG-CE1 3.99Å; P301-Y303 WeakPolarHBondContact O-CD1 3.37Å; P301-Y303 VanDerWaalsContact O-CE1 3.3Å; P301-Y303 WeakPolarHBondContact O-CE1 3.41Å; P301-Y303 PolarHBondContact O-N 3.44Å
302	I	87.6	Confident	90.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-52.3	136.9	-179.5	-60.8	176.6	0	0	0	112.1	L264 P271 F274 L275 C296 T297	L264-I302 PolarHBondContact N-O 3.28Å; P271-I302 HydrophobicContact CB-CD1 3.66Å; P271-I302 HydrophobicContact CG-CD1 4.36Å; F274-I302 HydrophobicContact CD1-CB 4.18Å; F274-I302 HydrophobicContact CD1-CG2 3.85Å; F274-I302 HydrophobicContact CE1-CB 4.14Å; F274-I302 HydrophobicContact CE1-CG2 3.81Å; L275-I302 HydrophobicContact CD1-CD1 4.37Å; L275-I302 HydrophobicContact CD2-CG2 3.82Å; L275-I302 HydrophobicContact CG-CG2 4.4Å; C296-I302 WeakPolarHBondContact O-CA 3.38Å; T297-I302 HydrophobicContact CG2-CG2 4.2Å
303	Y	91.9	Very high	90.6	Very high	23 Å²	23	36.7 Å²	36.7	9%	0.09	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.5	174.9	-65.1	-12.5	0	0	0	112.3	R231 I234 L236 V261 K262 T263 V295 C296 P301	R231-Y303 HydrophobicContact CG-CD2 4.35Å; R231-Y303 HydrophobicContact CG-CE2 3.87Å; R231-Y303 VanDerWaalsContact NH1-CE2 3.29Å; R231-Y303 PolarHBondContact NH1-OH 3.34Å; R231-Y303 VanDerWaalsContact NH1-OH 3.16Å; I234-Y303 HydrophobicContact CG2-CD2 4.46Å; I234-Y303 HydrophobicContact CG2-CE2 4.4Å; L236-Y303 WeakPolarHBondContact CD1-OH 3.44Å; L236-Y303 HydrophobicContact CD2-CE2 4.44Å; V261-Y303 HydrophobicContact CG1-CD1 3.93Å; V261-Y303 HydrophobicContact CG1-CD2 3.73Å; V261-Y303 HydrophobicContact CG1-CE1 4.42Å; V261-Y303 HydrophobicContact CG1-CE2 4.25Å; V261-Y303 HydrophobicContact CG1-CG 3.56Å; K262-Y303 WeakPolarHBondContact O-CA 3.39Å; T263-Y303 HydrophobicContact CG2-CD1 3.6Å; T263-Y303 HydrophobicContact CG2-CE1 3.37Å; V295-Y303 CarbonylContact C-O 3.58Å; V295-Y303 VanDerWaalsContact CA-O 3.22Å; V295-Y303 WeakPolarHBondContact CA-O 3.49Å; C296-Y303 HydrophobicContact CB-CD2 4.35Å; C296-Y303 HydrophobicContact CB-CG 4.41Å; C296-Y303 PolarHBondContact N-O 2.88Å; C296-Y303 PolarHBondContact O-N 3.42Å; P301-Y303 HydrophobicContact CG-CE1 3.99Å; P301-Y303 WeakPolarHBondContact O-CD1 3.37Å; P301-Y303 VanDerWaalsContact O-CE1 3.3Å; P301-Y303 WeakPolarHBondContact O-CE1 3.41Å; P301-Y303 PolarHBondContact O-N 3.44Å
304	I	91.6	Very high	91	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.1	161.7	-62.3	173.1	0	0	0	107	V261 K262 F274 E277 A278 M281 L292 V295 T306	V261-I304 WeakPolarHBondContact CA-O 3.3Å; K262-I304 HydrophobicContact CB-CB 4.3Å; K262-I304 PolarHBondContact N-O 3.01Å; K262-I304 PolarHBondContact O-N 3.15Å; F274-I304 HydrophobicContact CD1-CD1 3.96Å; F274-I304 HydrophobicContact CD1-CG1 4.31Å; F274-I304 HydrophobicContact CD2-CD1 4.46Å; F274-I304 HydrophobicContact CE1-CD1 3.65Å; F274-I304 HydrophobicContact CE1-CG1 3.67Å; F274-I304 HydrophobicContact CE2-CD1 4.18Å; F274-I304 HydrophobicContact CG-CD1 4.37Å; F274-I304 HydrophobicContact CZ-CD1 3.76Å; F274-I304 HydrophobicContact CZ-CG1 3.98Å; F274-I304 WeakPolarHBondContact O-CD1 3.44Å; E277-I304 HydrophobicContact CB-CD1 4.48Å; A278-I304 HydrophobicContact CB-CD1 4.13Å; A278-I304 HydrophobicContact CB-CG1 4.22Å; A278-I304 HydrophobicContact CB-CG2 4.43Å; M281-I304 HydrophobicContact CE-CG2 3.85Å; L292-I304 HydrophobicContact CD1-CG2 3.64Å; V295-I304 HydrophobicContact CG1-CG1 4.41Å; I304-T306 HydrophobicContact CG2-CG2 4.32Å
305	I	94	Very high	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.9	-172	-57.9	146.5	0	0	0	108.3	I229 I234 V259 A260 V261 Y293 A294	I229-I305 HydrophobicContact CD1-CD1 3.6Å; I229-I305 HydrophobicContact CG1-CD1 3.96Å; I234-I305 HydrophobicContact CD1-CD1 4.03Å; I234-I305 HydrophobicContact CD1-CG1 4.39Å; I234-I305 HydrophobicContact CD1-CG2 4.43Å; I234-I305 HydrophobicContact CG1-CD1 3.99Å; V259-I305 HydrophobicContact CB-CG2 3.75Å; V259-I305 HydrophobicContact CG1-CG2 3.89Å; V259-I305 HydrophobicContact CG2-CG2 4Å; A260-I305 WeakPolarHBondContact O-CA 3.4Å; V261-I305 HydrophobicContact CG1-CG1 4.46Å; V261-I305 HydrophobicContact CG2-CG1 4.5Å; Y293-I305 PolarHBondContact N-O 3.22Å; A294-I305 HydrophobicContact CB-CB 4.27Å; A294-I305 HydrophobicContact CB-CD1 3.83Å; A294-I305 PolarHBondContact N-O 2.99Å; A294-I305 WeakPolarHBondContact O-CB 3.43Å; A294-I305 PolarHBondContact O-N 3.46Å
306	T	93.8	Very high	91.4	Very high	21 Å²	21	43.3 Å²	43.3	13%	0.129	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	173.1	178.3	67.4	0	0	0	0	110.8	A260 M281 Q291 I304	A260-T306 PolarHBondContact N-O 2.83Å; A260-T306 PolarHBondContact O-N 3.26Å; M281-T306 HydrophobicContact CE-CG2 4.39Å; M281-T306 HydrophobicContact SD-CG2 4.45Å; Q291-T306 VanDerWaalsContact O-CA 3.25Å; Q291-T306 WeakPolarHBondContact O-CA 3.29Å; Q291-T306 VanDerWaalsContact O-CB 3.25Å; Q291-T306 WeakPolarHBondContact O-CB 3.37Å; I304-T306 HydrophobicContact CG2-CG2 4.32Å
307	E	91.9	Very high	91.7	Very high	19 Å²	19	44.8 Å²	44.8	9%	0.089	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	147.7	166.3	69.5	-174	119.6	0	0	111.9	I290 Q291 Y293 M309 K369	I290-E307 HydrophobicContact CD1-CG 3.3Å; I290-E307 HydrophobicContact CG1-CG 4.1Å; Q291-E307 WeakPolarHBondContact CB-OE1 3.43Å; Q291-E307 PolarHBondContact N-OE1 2.71Å; Q291-E307 PolarHBondContact O-N 2.73Å; Y293-E307 VanDerWaalsContact CE2-CA 3.44Å; Y293-E307 HydrophobicContact CE2-CB 3.74Å; Y293-E307 WeakPolarHBondContact OH-CB 3.38Å; E307-M309 HydrophobicContact CG-SD 4.43Å; E307-K369 WeakPolarHBondContact OE1-CD 3.39Å; E307-K369 IonicContact OE1-NZ 2.89Å; E307-K369 PolarHBondContact OE1-NZ 2.86Å; E307-K369 VanDerWaalsContact OE2-CE 3.3Å; E307-K369 WeakPolarHBondContact OE2-CE 3.19Å; E307-K369 IonicContact OE2-NZ 3.88Å; E307-K369 PolarHBondContact OE2-NZ 2.59Å
308	L	94.3	Very high	92.2	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.157	22%	0.221	C	C	.	.			trans	-90.2	117.8	178.4	-179.6	65.6	0	0	0	110.9	L240 E250 P258 A260	L240-L308 HydrophobicContact CD1-CD1 3.77Å; E250-L308 HydrophobicContact CG-CD1 4.41Å; E250-L308 HydrophobicContact CG-CD2 3.89Å; P258-L308 HydrophobicContact CB-CB 4.42Å; P258-L308 HydrophobicContact CB-CD2 3.72Å; A260-L308 HydrophobicContact CB-CD1 4.14Å
309	M	94.6	Very high	92.8	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.079	23%	0.229	C	C	.	.			trans	-96.1	97.9	174.4	-61.8	-64.2	-78.5	0	0	109.7	I290 E307 H311 G312 L361 V362 I367 K369	I290-M309 HydrophobicContact CD1-CG 3.55Å; I290-M309 HydrophobicContact CD1-SD 4.28Å; E307-M309 HydrophobicContact CG-SD 4.43Å; M309-H311 PolarHBondContact O-N 3.01Å; M309-H311 VanDerWaalsContact O-N 3.11Å; M309-G312 PolarHBondContact O-N 3.2Å; M309-G312 VanDerWaalsContact O-N 3.11Å; M309-L361 HydrophobicContact CB-CB 3.63Å; M309-L361 HydrophobicContact CB-CD1 4.22Å; M309-L361 HydrophobicContact CB-CG 4.44Å; M309-L361 HydrophobicContact CE-CB 4.17Å; M309-L361 VanDerWaalsContact CE-O 3.24Å; M309-L361 WeakPolarHBondContact CE-O 3.32Å; M309-L361 HydrophobicContact CG-CB 3.59Å; M309-L361 HydrophobicContact CG-CD1 3.98Å; M309-L361 HydrophobicContact CG-CG 4.43Å; M309-V362 CarbonylContact C-O 3.53Å; M309-I367 HydrophobicContact CE-CG2 4.37Å; M309-K369 HydrophobicContact CE-CB 3.95Å; M309-K369 HydrophobicContact CE-CD 3.98Å; M309-K369 HydrophobicContact CE-CG 3.75Å; M309-K369 HydrophobicContact SD-CD 4.01Å; M309-K369 HydrophobicContact SD-CG 4.45Å
310	R	92.3	Very high	93.3	Very high	129 Å²	129	43.3 Å²	43.3	49%	0.487	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.5	-165.1	-66	-167	-172.4	-80.2	0.3	115.8	E364	R310-E364 WeakPolarHBondContact CD-OE1 3.49Å; R310-E364 IonicContact CZ-OE1 2.7Å; R310-E364 IonicContact NE-OE1 3.05Å; R310-E364 PolarHBondContact NE-OE1 3.17Å
311	H	94.1	Very high	93.7	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.417	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10.5	-177.4	-62.1	-50.1	0	0	0	113.1	M309 Y317 V362 G363	M309-H311 PolarHBondContact O-N 3.01Å; M309-H311 VanDerWaalsContact O-N 3.11Å; H311-Y317 HydrophobicContact CB-CD2 3.79Å; H311-Y317 HydrophobicContact CB-CE2 4.02Å; H311-V362 WeakPolarHBondContact CA-O 3.46Å; H311-V362 HydrophobicContact CB-CB 3.74Å; H311-V362 HydrophobicContact CB-CG1 3.75Å; H311-V362 WeakPolarHBondContact CB-O 3.22Å; H311-V362 PolarHBondContact N-O 2.97Å; H311-G363 PolarHBondContact CD2-O 3.38Å
312	G	94.2	Very high	93.8	Very high	25 Å²	25	44 Å²	44	26%	0.258	23%	0.225	S	C	.	.			trans	70.2	-149.1	173.9	0	0	0	0	0	112.7	M309 L361 V362	M309-G312 PolarHBondContact O-N 3.2Å; M309-G312 VanDerWaalsContact O-N 3.11Å; G312-L361 CarbonylContact O-C 3.58Å; G312-L361 WeakPolarHBondContact O-CA 3.49Å; G312-V362 PolarHBondContact O-N 2.94Å
313	S	95.9	Very high	93.8	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.084	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-75.2	149.6	179.5	70.4	0	0	0	0	112.1	Q315 E316 Y317 V360	S313-Q315 PolarHBondContact O-N 2.89Å; S313-E316 PolarHBondContact N-OE2 3.27Å; S313-E316 PolarHBondContact O-N 3.09Å; S313-E316 VanDerWaalsContact OG-CD 3.3Å; S313-E316 VanDerWaalsContact OG-CG 3.3Å; S313-E316 WeakPolarHBondContact OG-CG 2.98Å; S313-E316 PolarHBondContact OG-N 2.78Å; S313-E316 PolarHBondContact OG-OE2 2.9Å; S313-Y317 WeakPolarHBondContact O-CB 3.47Å; S313-Y317 PolarHBondContact O-N 3.1Å; S313-V360 CarbonylContact C-O 3.37Å; S313-V360 WeakPolarHBondContact CA-O 3.39Å
314	L	97.9	Very high	93.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-33	175.5	176.2	67.9	0	0	0	110.9	Y317 L318 I334 A357 V360 V362 Y368 L422 I426	L314-Y317 PolarHBondContact O-N 2.98Å; L314-L318 HydrophobicContact CD1-CD1 4.07Å; L314-L318 HydrophobicContact CD1-CD2 4.34Å; L314-L318 HydrophobicContact CD1-CG 3.86Å; L314-L318 HydrophobicContact CD2-CD1 4.41Å; L314-L318 HydrophobicContact CG-CD1 3.81Å; L314-L318 HydrophobicContact CG-CG 4.1Å; L314-L318 VanDerWaalsContact O-CB 3.32Å; L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.03Å; L314-I334 HydrophobicContact CD1-CD1 4.14Å; L314-I334 HydrophobicContact CD1-CG2 4.1Å; L314-I334 HydrophobicContact CD2-CG2 3.59Å; L314-A357 WeakPolarHBondContact CB-O 3.38Å; L314-A357 HydrophobicContact CD2-CB 4.45Å; L314-A357 PolarHBondContact N-O 3.03Å; L314-V360 HydrophobicContact CB-CB 3.87Å; L314-V360 HydrophobicContact CB-CG1 4.03Å; L314-V360 WeakPolarHBondContact CB-O 3.31Å; L314-V360 HydrophobicContact CD2-CB 4Å; L314-V360 HydrophobicContact CD2-CG1 3.92Å; L314-V360 PolarHBondContact N-O 3.17Å; L314-V362 HydrophobicContact CB-CG2 3.92Å; L314-V362 HydrophobicContact CD1-CG2 4Å; L314-Y368 HydrophobicContact CD1-CD1 4.36Å; L314-Y368 HydrophobicContact CD1-CE1 4.46Å; L314-L422 HydrophobicContact CD2-CD1 4.26Å; L314-I426 HydrophobicContact CD2-CD1 4.47Å; L314-I426 HydrophobicContact CD2-CG1 4.1Å
315	Q	96.8	Very high	93.5	Very high	46 Å²	46	53.5 Å²	53.5	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-53.5	173.9	177.9	174.2	69.5	0	0	111.9	S313 Y317 Q319 A357 R358	S313-Q315 PolarHBondContact O-N 2.89Å; Q315-Y317 VanDerWaalsContact C-N 3.34Å; Q315-Q319 WeakPolarHBondContact O-CG 3.17Å; Q315-Q319 PolarHBondContact O-N 2.99Å; Q315-A357 HydrophobicContact CB-CB 4.04Å; Q315-A357 PolarHBondContact N-O 3.29Å; Q315-A357 VanDerWaalsContact N-O 3.12Å; Q315-R358 HydrophobicContact CB-CB 4.33Å
316	E	95.4	Very high	93.4	Very high	123 Å²	123	53.5 Å²	53.5	58%	0.575	28%	0.276	S	S	*	.	H	α-helix	trans	-67	-39	178.5	-68.3	163.1	150.3	0	0	111.1	S313 Q319 S320	S313-E316 PolarHBondContact N-OE2 3.27Å; S313-E316 PolarHBondContact O-N 3.09Å; S313-E316 VanDerWaalsContact OG-CD 3.3Å; S313-E316 VanDerWaalsContact OG-CG 3.3Å; S313-E316 WeakPolarHBondContact OG-CG 2.98Å; S313-E316 PolarHBondContact OG-N 2.78Å; S313-E316 PolarHBondContact OG-OE2 2.9Å; E316-Q319 PolarHBondContact O-N 3.47Å; E316-S320 PolarHBondContact O-N 2.78Å
317	Y	96.9	Very high	93.3	Very high	34 Å²	34	58.6 Å²	58.6	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-46.2	179.6	-172.6	-108	0	0	0	112.1	H311 S313 L314 Q315 Q319 S320 A322 G323 I326 V362	H311-Y317 HydrophobicContact CB-CD2 3.79Å; H311-Y317 HydrophobicContact CB-CE2 4.02Å; S313-Y317 WeakPolarHBondContact O-CB 3.47Å; S313-Y317 PolarHBondContact O-N 3.1Å; L314-Y317 PolarHBondContact O-N 2.98Å; Q315-Y317 VanDerWaalsContact C-N 3.34Å; Y317-Q319 PolarHBondContact O-N 3.2Å; Y317-S320 WeakPolarHBondContact O-CB 3.1Å; Y317-S320 PolarHBondContact O-N 3.29Å; Y317-S320 VanDerWaalsContact O-N 3.09Å; Y317-S320 PolarHBondContact O-OG 3.31Å; Y317-A322 HydrophobicContact CE2-CB 3.84Å; Y317-G323 WeakPolarHBondContact O-CA 3.28Å; Y317-G323 PolarHBondContact O-N 2.82Å; Y317-I326 HydrophobicContact CD1-CD1 3.93Å; Y317-I326 HydrophobicContact CE1-CD1 3.56Å; Y317-I326 HydrophobicContact CE1-CG1 4.47Å; Y317-V362 HydrophobicContact CD1-CG1 3.97Å; Y317-V362 HydrophobicContact CD1-CG2 4.06Å; Y317-V362 HydrophobicContact CD2-CG1 4.19Å; Y317-V362 HydrophobicContact CE1-CG1 4.04Å; Y317-V362 HydrophobicContact CE2-CG1 4.29Å; Y317-V362 HydrophobicContact CG-CB 4.27Å; Y317-V362 HydrophobicContact CG-CG1 4.03Å; Y317-V362 HydrophobicContact CG-CG2 3.95Å
318	L	96.8	Very high	93.3	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-30.3	177.6	-75.6	169.1	0	0	0	112.8	L314 I326	L314-L318 HydrophobicContact CD1-CD1 4.07Å; L314-L318 HydrophobicContact CD1-CD2 4.34Å; L314-L318 HydrophobicContact CD1-CG 3.86Å; L314-L318 HydrophobicContact CD2-CD1 4.41Å; L314-L318 HydrophobicContact CG-CD1 3.81Å; L314-L318 HydrophobicContact CG-CG 4.1Å; L314-L318 VanDerWaalsContact O-CB 3.32Å; L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.03Å; L318-I326 HydrophobicContact CD2-CD1 4.06Å
319	Q	95.4	Very high	93.1	Very high	123 Å²	123	62.9 Å²	62.9	58%	0.575	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-3.3	179.3	-66.2	176.9	-6.6	0	0	113.4	Q315 E316 Y317 G430	Q315-Q319 WeakPolarHBondContact O-CG 3.17Å; Q315-Q319 PolarHBondContact O-N 2.99Å; E316-Q319 PolarHBondContact O-N 3.47Å; Y317-Q319 PolarHBondContact O-N 3.2Å; Q319-G430 PolarHBondContact NE2-O 2.9Å
320	S	94.8	Very high	93	Very high	43 Å²	43	64.1 Å²	64.1	30%	0.301	33%	0.331	S	S	.	.	S	Bend	trans	-87.1	168.8	179.2	77.6	0	0	0	0	112.9	E316 Y317 A322 G323 S324	E316-S320 PolarHBondContact O-N 2.78Å; Y317-S320 WeakPolarHBondContact O-CB 3.1Å; Y317-S320 PolarHBondContact O-N 3.29Å; Y317-S320 VanDerWaalsContact O-N 3.09Å; Y317-S320 PolarHBondContact O-OG 3.31Å; S320-A322 PolarHBondContact O-N 3.27Å; S320-A322 PolarHBondContact OG-N 2.89Å; S320-G323 WeakPolarHBondContact O-CA 3.27Å; S320-G323 PolarHBondContact O-N 3.3Å; S320-G323 PolarHBondContact OG-N 3.14Å; S320-S324 PolarHBondContact O-N 3.18Å
321	D	91.3	Very high	93.2	Very high	139 Å²	139	58.2 Å²	58.2	74%	0.743	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.1	172.1	-71.6	-12.9	0	0	0	112.6	S324	D321-S324 PolarHBondContact O-OG 3.4Å
322	A	88.1	Confident	93.3	Very high	42 Å²	42	54.1 Å²	54.1	35%	0.347	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-41.7	174.1	0	0	0	0	0	111.2	Y317 S320 S324 K325	Y317-A322 HydrophobicContact CE2-CB 3.84Å; S320-A322 PolarHBondContact O-N 3.27Å; S320-A322 PolarHBondContact OG-N 2.89Å; A322-S324 VanDerWaalsContact C-N 3.3Å; A322-S324 PolarHBondContact O-N 3.33Å; A322-K325 PolarHBondContact O-N 2.95Å; A322-K325 VanDerWaalsContact O-N 3.16Å
323	G	87	Confident	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58.4	-38.7	175.3	0	0	0	0	0	113.5	Y317 S320 K325 I326	Y317-G323 WeakPolarHBondContact O-CA 3.28Å; Y317-G323 PolarHBondContact O-N 2.82Å; S320-G323 WeakPolarHBondContact O-CA 3.27Å; S320-G323 PolarHBondContact O-N 3.3Å; S320-G323 PolarHBondContact OG-N 3.14Å; G323-K325 PolarHBondContact O-N 3.42Å; G323-K325 VanDerWaalsContact O-N 3.08Å; G323-I326 VanDerWaalsContact O-CB 3.31Å; G323-I326 WeakPolarHBondContact O-CB 2.96Å; G323-I326 WeakPolarHBondContact O-CG1 3.07Å; G323-I326 PolarHBondContact O-N 3.45Å
324	S	87.9	Confident	93.3	Very high	78 Å²	78	53.2 Å²	53.2	55%	0.545	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-61.7	-17.9	178.2	77.8	0	0	0	0	114.6	S320 D321 A322	S320-S324 PolarHBondContact O-N 3.18Å; D321-S324 PolarHBondContact O-OG 3.4Å; A322-S324 VanDerWaalsContact C-N 3.3Å; A322-S324 PolarHBondContact O-N 3.33Å
325	K	89.8	Confident	93.4	Very high	150 Å²	150	53.2 Å²	53.2	65%	0.652	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-94.5	-4.3	179.5	-59.5	175	-172.6	174	0	112.8	A322 G323 H327	A322-K325 PolarHBondContact O-N 2.95Å; A322-K325 VanDerWaalsContact O-N 3.16Å; G323-K325 PolarHBondContact O-N 3.42Å; G323-K325 VanDerWaalsContact O-N 3.08Å; K325-H327 PolarHBondContact O-CD2 2.9Å; K325-H327 PolarHBondContact O-N 3.27Å
326	I	91.6	Very high	93.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.269	C	S	.	.			trans	-72.6	121.1	178.6	-60.8	-178.5	0	0	0	108.3	Y317 L318 G323 Q330 Q331 I334 Y429	Y317-I326 HydrophobicContact CD1-CD1 3.93Å; Y317-I326 HydrophobicContact CE1-CD1 3.56Å; Y317-I326 HydrophobicContact CE1-CG1 4.47Å; L318-I326 HydrophobicContact CD2-CD1 4.06Å; G323-I326 VanDerWaalsContact O-CB 3.31Å; G323-I326 WeakPolarHBondContact O-CB 2.96Å; G323-I326 WeakPolarHBondContact O-CG1 3.07Å; G323-I326 PolarHBondContact O-N 3.45Å; I326-Q330 HydrophobicContact CG2-CB 3.73Å; I326-Q330 HydrophobicContact CG2-CG 3.8Å; I326-Q331 HydrophobicContact CG2-CG 3.7Å; I326-I334 HydrophobicContact CD1-CD1 4.21Å; I326-I334 HydrophobicContact CG2-CD1 4.2Å; I326-Y429 WeakPolarHBondContact O-CE1 3.48Å; I326-Y429 PolarHBondContact O-OH 3.39Å
327	H	91.8	Very high	93.5	Very high	128 Å²	128	45.6 Å²	45.6	59%	0.593	24%	0.243	S	C	*	.			trans	-98.5	172.3	174.3	-61.4	-56.6	0	0	0	111.5	K325 T329 Q330 Q331	K325-H327 PolarHBondContact O-CD2 2.9Å; K325-H327 PolarHBondContact O-N 3.27Å; H327-T329 PolarHBondContact O-N 3.39Å; H327-T329 VanDerWaalsContact O-N 3.09Å; H327-Q330 PolarHBondContact O-N 3.27Å; H327-Q331 PolarHBondContact O-N 3.35Å
328	L	93.3	Very high	93.6	Very high	50 Å²	50	44 Å²	44	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-50	-40	-176.4	-178.8	67.7	0	0	0	113.5	Q330 Q331 V332 I427 P459 Y490 F491	L328-Q330 VanDerWaalsContact C-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.28Å; L328-Q331 PolarHBondContact O-N 3.35Å; L328-V332 HydrophobicContact CD1-CG2 4.19Å; L328-V332 HydrophobicContact CG-CG2 4.35Å; L328-V332 VanDerWaalsContact O-CG2 3.3Å; L328-V332 WeakPolarHBondContact O-CG2 3.14Å; L328-V332 PolarHBondContact O-N 3.09Å; L328-I427 HydrophobicContact CD1-CD1 3.95Å; L328-P459 HydrophobicContact CD1-CG 3.78Å; L328-P459 HydrophobicContact CD2-CG 3.48Å; L328-P459 VanDerWaalsContact CD2-CG 3.48Å; L328-P459 HydrophobicContact CG-CG 4.28Å; L328-Y490 HydrophobicContact CD2-CE1 4.48Å; L328-F491 HydrophobicContact CD2-CE1 4.21Å; L328-F491 HydrophobicContact CD2-CZ 4.31Å; L328-F491 HydrophobicContact CG-CZ 4.12Å
329	T	89.9	Confident	93.7	Very high	88 Å²	88	43.9 Å²	43.9	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-43.1	178.1	49	0	0	0	0	112.4	H327 D333 F491	H327-T329 PolarHBondContact O-N 3.39Å; H327-T329 VanDerWaalsContact O-N 3.09Å; T329-D333 PolarHBondContact O-N 3.05Å; T329-D333 VanDerWaalsContact O-N 3.08Å; T329-F491 HydrophobicContact CG2-CE1 4.17Å; T329-F491 HydrophobicContact CG2-CE2 3.98Å; T329-F491 HydrophobicContact CG2-CZ 3.75Å
330	Q	91.6	Very high	93.8	Very high	43 Å²	43	39.1 Å²	39.1	20%	0.201	22%	0.216	C	C	.	.	H	α-helix	trans	-77.6	-32.3	177.1	-173.3	178.3	-1.3	0	0	112	I326 H327 L328 V332 D333 I334 N366 Y368	I326-Q330 HydrophobicContact CG2-CB 3.73Å; I326-Q330 HydrophobicContact CG2-CG 3.8Å; H327-Q330 PolarHBondContact O-N 3.27Å; L328-Q330 VanDerWaalsContact C-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.28Å; Q330-V332 VanDerWaalsContact C-N 3.34Å; Q330-D333 PolarHBondContact O-N 3.12Å; Q330-I334 HydrophobicContact CG-CD1 4.42Å; Q330-I334 WeakPolarHBondContact O-CD1 3.41Å; Q330-I334 WeakPolarHBondContact O-CG1 3.45Å; Q330-I334 PolarHBondContact O-N 3.29Å; Q330-N366 PolarHBondContact NE2-OD1 3.49Å; Q330-Y368 PolarHBondContact NE2-OH 3.38Å
331	Q	97.1	Very high	93.9	Very high	5 Å²	5	37 Å²	37	2%	0.023	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-43.3	172.3	-71.4	174.8	-45.7	0	0	111.8	I326 H327 L328 I334 A335 I426 I427	I326-Q331 HydrophobicContact CG2-CG 3.7Å; H327-Q331 PolarHBondContact O-N 3.35Å; L328-Q331 PolarHBondContact O-N 3.35Å; Q331-I334 PolarHBondContact O-N 3.03Å; Q331-A335 PolarHBondContact O-N 3.05Å; Q331-A335 VanDerWaalsContact O-N 3.09Å; Q331-I426 HydrophobicContact CB-CG2 3.66Å; Q331-I426 HydrophobicContact CG-CG2 3.89Å; Q331-I426 PolarHBondContact NE2-O 3.34Å; Q331-I427 VanDerWaalsContact OE1-CD1 3.26Å
332	V	95.9	Very high	94.2	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-41.5	174.4	172.3	0	0	0	0	110.9	L328 Q330 I334 A335 A336 F462 L487 Y490 F491	L328-V332 HydrophobicContact CD1-CG2 4.19Å; L328-V332 HydrophobicContact CG-CG2 4.35Å; L328-V332 VanDerWaalsContact O-CG2 3.3Å; L328-V332 WeakPolarHBondContact O-CG2 3.14Å; L328-V332 PolarHBondContact O-N 3.09Å; Q330-V332 VanDerWaalsContact C-N 3.34Å; V332-I334 PolarHBondContact O-N 3.37Å; V332-A335 WeakPolarHBondContact O-CB 3.48Å; V332-A335 PolarHBondContact O-N 2.76Å; V332-A336 WeakPolarHBondContact O-CB 3.3Å; V332-A336 PolarHBondContact O-N 3.38Å; V332-F462 HydrophobicContact CG2-CD2 3.94Å; V332-F462 HydrophobicContact CG2-CE2 3.87Å; V332-L487 HydrophobicContact CG1-CD2 4.32Å; V332-L487 VanDerWaalsContact CG1-O 3.27Å; V332-L487 WeakPolarHBondContact CG1-O 3.18Å; V332-Y490 HydrophobicContact CG1-CD1 4.15Å; V332-Y490 HydrophobicContact CG1-CD2 4.45Å; V332-Y490 HydrophobicContact CG1-CG 3.82Å; V332-Y490 HydrophobicContact CG2-CD1 3.78Å; V332-Y490 HydrophobicContact CG2-CD2 4.42Å; V332-Y490 HydrophobicContact CG2-CE1 3.96Å; V332-Y490 HydrophobicContact CG2-CG 4.05Å; V332-F491 HydrophobicContact CB-CE2 3.88Å; V332-F491 HydrophobicContact CB-CZ 4.32Å; V332-F491 HydrophobicContact CG1-CE2 3.98Å; V332-F491 HydrophobicContact CG2-CE2 4.01Å; V332-F491 HydrophobicContact CG2-CZ 3.98Å
333	D	93.1	Very high	94.6	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-42.2	175.3	-179	49.6	0	0	0	112.4	R122 T329 Q330 A335 A336 Q337	R122-D333 IonicContact NH1-OD1 3.77Å; R122-D333 PolarHBondContact NH1-OD1 3.23Å; R122-D333 VanDerWaalsContact NH1-OD1 3.15Å; T329-D333 PolarHBondContact O-N 3.05Å; T329-D333 VanDerWaalsContact O-N 3.08Å; Q330-D333 PolarHBondContact O-N 3.12Å; D333-A335 VanDerWaalsContact C-N 3.33Å; D333-A335 PolarHBondContact O-N 3.05Å; D333-A336 PolarHBondContact O-N 3.08Å; D333-Q337 WeakPolarHBondContact O-CB 3.47Å; D333-Q337 VanDerWaalsContact O-CG 3.29Å; D333-Q337 WeakPolarHBondContact O-CG 3.47Å; D333-Q337 PolarHBondContact O-N 2.9Å; D333-Q337 PolarHBondContact OD1-NE2 3.28Å; D333-Q337 PolarHBondContact OD2-NE2 3.16Å
334	I	98	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.7	-50.7	172.2	-68.3	158.6	0	0	0	110.1	L314 I326 Q330 Q331 V332 A336 Q337 V338 Y368 I426	L314-I334 HydrophobicContact CD1-CD1 4.14Å; L314-I334 HydrophobicContact CD1-CG2 4.1Å; L314-I334 HydrophobicContact CD2-CG2 3.59Å; I326-I334 HydrophobicContact CD1-CD1 4.21Å; I326-I334 HydrophobicContact CG2-CD1 4.2Å; Q330-I334 HydrophobicContact CG-CD1 4.42Å; Q330-I334 WeakPolarHBondContact O-CD1 3.41Å; Q330-I334 WeakPolarHBondContact O-CG1 3.45Å; Q330-I334 PolarHBondContact O-N 3.29Å; Q331-I334 PolarHBondContact O-N 3.03Å; V332-I334 PolarHBondContact O-N 3.37Å; I334-A336 PolarHBondContact O-N 3.1Å; I334-Q337 PolarHBondContact O-N 3.15Å; I334-V338 WeakPolarHBondContact O-CG2 3.33Å; I334-V338 PolarHBondContact O-N 2.96Å; I334-Y368 HydrophobicContact CB-CD2 4.17Å; I334-Y368 HydrophobicContact CB-CE2 4.21Å; I334-Y368 HydrophobicContact CB-CG 4.47Å; I334-Y368 HydrophobicContact CD1-CE1 4.1Å; I334-Y368 HydrophobicContact CD1-CE2 4.4Å; I334-Y368 HydrophobicContact CG1-CD1 3.99Å; I334-Y368 HydrophobicContact CG1-CD2 3.67Å; I334-Y368 HydrophobicContact CG1-CE1 3.62Å; I334-Y368 HydrophobicContact CG1-CE2 3.29Å; I334-Y368 HydrophobicContact CG1-CG 4.02Å; I334-Y368 HydrophobicContact CG2-CD2 4.49Å; I334-Y368 HydrophobicContact CG2-CG 4.32Å; I334-I426 HydrophobicContact CB-CD1 4.49Å; I334-I426 HydrophobicContact CG2-CD1 3.73Å; I334-I426 HydrophobicContact CG2-CG1 4.12Å
335	A	98.6	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-44.3	-179.5	0	0	0	0	0	112	Q331 V332 D333 V338 A339 F419 L423 I426 F462 L487	Q331-A335 PolarHBondContact O-N 3.05Å; Q331-A335 VanDerWaalsContact O-N 3.09Å; V332-A335 WeakPolarHBondContact O-CB 3.48Å; V332-A335 PolarHBondContact O-N 2.76Å; D333-A335 VanDerWaalsContact C-N 3.33Å; D333-A335 PolarHBondContact O-N 3.05Å; A335-V338 PolarHBondContact O-N 3.37Å; A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 3.38Å; A335-F419 HydrophobicContact CB-CZ 4.45Å; A335-L423 HydrophobicContact CB-CD2 3.42Å; A335-L423 VanDerWaalsContact CB-CD2 3.42Å; A335-I426 HydrophobicContact CB-CD1 4.27Å; A335-F462 HydrophobicContact CB-CE2 4.36Å; A335-F462 HydrophobicContact CB-CZ 4.32Å; A335-L487 HydrophobicContact CB-CD1 3.83Å; A335-L487 HydrophobicContact CB-CD2 4.02Å
336	A	97.4	Very high	95.6	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-46.4	177.4	0	0	0	0	0	111.2	V332 D333 I334 V338 A339 S340 H484 L487	V332-A336 WeakPolarHBondContact O-CB 3.3Å; V332-A336 PolarHBondContact O-N 3.38Å; D333-A336 PolarHBondContact O-N 3.08Å; I334-A336 PolarHBondContact O-N 3.1Å; A336-V338 VanDerWaalsContact C-N 3.35Å; A336-V338 PolarHBondContact O-N 3.03Å; A336-A339 PolarHBondContact O-N 2.82Å; A336-S340 WeakPolarHBondContact O-CB 3.49Å; A336-S340 PolarHBondContact O-N 2.91Å; A336-H484 PolarHBondContact O-CD2 3.37Å; A336-H484 VanDerWaalsContact O-CD2 3.25Å; A336-L487 HydrophobicContact CB-CB 3.79Å
337	Q	97.3	Very high	95.7	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-41.8	178.1	-73.2	-170.7	52.3	0	0	112.3	K288 D333 I334 S340 G341 N366 Y368	K288-Q337 VanDerWaalsContact CB-O 3.22Å; K288-Q337 WeakPolarHBondContact CB-O 3.48Å; K288-Q337 HydrophobicContact CD-CB 3.96Å; K288-Q337 HydrophobicContact CD-CG 4.09Å; K288-Q337 HydrophobicContact CG-CB 4.46Å; K288-Q337 WeakPolarHBondContact CG-O 3.26Å; D333-Q337 WeakPolarHBondContact O-CB 3.47Å; D333-Q337 VanDerWaalsContact O-CG 3.29Å; D333-Q337 WeakPolarHBondContact O-CG 3.47Å; D333-Q337 PolarHBondContact O-N 2.9Å; D333-Q337 PolarHBondContact OD1-NE2 3.28Å; D333-Q337 PolarHBondContact OD2-NE2 3.16Å; I334-Q337 PolarHBondContact O-N 3.15Å; Q337-S340 WeakPolarHBondContact O-CB 3.5Å; Q337-S340 PolarHBondContact O-N 3.2Å; Q337-G341 PolarHBondContact O-N 3.35Å; Q337-N366 PolarHBondContact NE2-O 3.4Å; Q337-N366 PolarHBondContact OE1-O 3.15Å; Q337-Y368 HydrophobicContact CB-CD2 4.37Å; Q337-Y368 HydrophobicContact CG-CD2 4.43Å
338	V	98.6	Very high	95.6	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-44.7	175.1	173.6	0	0	0	0	111.3	I334 A335 A336 S340 G341 M342 L355 V360 V370 F419 L422	I334-V338 WeakPolarHBondContact O-CG2 3.33Å; I334-V338 PolarHBondContact O-N 2.96Å; A335-V338 PolarHBondContact O-N 3.37Å; A336-V338 VanDerWaalsContact C-N 3.35Å; A336-V338 PolarHBondContact O-N 3.03Å; V338-S340 VanDerWaalsContact C-N 3.27Å; V338-S340 PolarHBondContact O-N 3.41Å; V338-G341 PolarHBondContact O-N 2.92Å; V338-G341 VanDerWaalsContact O-N 3.15Å; V338-M342 HydrophobicContact CG1-CG 4.24Å; V338-M342 WeakPolarHBondContact O-CG 3.25Å; V338-M342 PolarHBondContact O-N 2.88Å; V338-L355 HydrophobicContact CG1-CD1 4.07Å; V338-V360 HydrophobicContact CG1-CG2 4.49Å; V338-V360 HydrophobicContact CG2-CG1 3.81Å; V338-V360 HydrophobicContact CG2-CG2 3.84Å; V338-V370 HydrophobicContact CB-CG2 4.39Å; V338-V370 HydrophobicContact CG1-CG2 3.81Å; V338-V370 HydrophobicContact CG2-CG2 4.44Å; V338-F419 HydrophobicContact CB-CE2 4.17Å; V338-F419 HydrophobicContact CG1-CD2 4.07Å; V338-F419 HydrophobicContact CG1-CE2 3.9Å; V338-L422 HydrophobicContact CB-CD2 4.31Å; V338-L422 HydrophobicContact CG1-CD2 3.62Å; V338-L422 HydrophobicContact CG2-CD2 4.33Å
339	A	98.6	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-40	176.8	0	0	0	0	0	111.8	A335 A336 M342 A343 F419 L483 H484 L487	A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 3.38Å; A336-A339 PolarHBondContact O-N 2.82Å; A339-M342 PolarHBondContact O-N 3.48Å; A339-A343 VanDerWaalsContact O-CB 3.31Å; A339-A343 WeakPolarHBondContact O-CB 3.43Å; A339-A343 PolarHBondContact O-N 2.87Å; A339-F419 HydrophobicContact CB-CE2 4.16Å; A339-F419 HydrophobicContact CB-CZ 3.8Å; A339-L483 HydrophobicContact CB-CB 4.41Å; A339-H484 HydrophobicContact CB-CB 4.02Å; A339-L487 HydrophobicContact CB-CD1 4.12Å
340	S	97.9	Very high	95.3	Very high	22 Å²	22	25.5 Å²	25.5	15%	0.154	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-47.9	174.1	-176.8	0	0	0	0	112.1	H286 A336 Q337 V338 M342 A343 Y344	H286-S340 PolarHBondContact CE1-OG 3.46Å; H286-S340 VanDerWaalsContact CE1-OG 3.28Å; A336-S340 WeakPolarHBondContact O-CB 3.49Å; A336-S340 PolarHBondContact O-N 2.91Å; Q337-S340 WeakPolarHBondContact O-CB 3.5Å; Q337-S340 PolarHBondContact O-N 3.2Å; V338-S340 VanDerWaalsContact C-N 3.27Å; V338-S340 PolarHBondContact O-N 3.41Å; S340-M342 PolarHBondContact O-N 3.25Å; S340-A343 PolarHBondContact O-N 3.25Å; S340-Y344 PolarHBondContact O-N 3.39Å; S340-Y344 VanDerWaalsContact O-N 3.15Å
341	G	97	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-41.5	175.7	0	0	0	0	0	113.1	Q337 V338 Y344 L345	Q337-G341 PolarHBondContact O-N 3.35Å; V338-G341 PolarHBondContact O-N 2.92Å; V338-G341 VanDerWaalsContact O-N 3.15Å; G341-Y344 WeakPolarHBondContact O-CB 3.44Å; G341-Y344 PolarHBondContact O-N 3.43Å; G341-L345 PolarHBondContact O-N 3.09Å; G341-L345 VanDerWaalsContact O-N 3.17Å
342	M	98.1	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72.2	-32.5	178.6	-67.2	-59.4	-56.9	0	0	113.1	V338 A339 S340 Y344 L345 E346 H352 L355 V370 D415 F480	V338-M342 HydrophobicContact CG1-CG 4.24Å; V338-M342 WeakPolarHBondContact O-CG 3.25Å; V338-M342 PolarHBondContact O-N 2.88Å; A339-M342 PolarHBondContact O-N 3.48Å; S340-M342 PolarHBondContact O-N 3.25Å; M342-Y344 VanDerWaalsContact C-N 3.29Å; M342-Y344 PolarHBondContact O-N 2.87Å; M342-L345 HydrophobicContact CE-CD1 4.13Å; M342-L345 PolarHBondContact O-N 3.08Å; M342-L345 HydrophobicContact SD-CD1 3.74Å; M342-E346 WeakPolarHBondContact O-CB 3.28Å; M342-E346 PolarHBondContact O-N 3.23Å; M342-H352 HydrophobicContact CE-CB 3.9Å; M342-H352 HydrophobicContact SD-CB 4.33Å; M342-L355 HydrophobicContact CE-CD2 4.05Å; M342-L355 HydrophobicContact CG-CD1 4.35Å; M342-L355 HydrophobicContact CG-CD2 3.85Å; M342-L355 HydrophobicContact SD-CD1 3.96Å; M342-L355 HydrophobicContact SD-CD2 3.94Å; M342-L355 HydrophobicContact SD-CG 4.47Å; M342-V370 HydrophobicContact CG-CG2 4.48Å; M342-V370 HydrophobicContact SD-CG1 4.13Å; M342-V370 HydrophobicContact SD-CG2 4.48Å; M342-D415 HydrophobicContact CE-CB 3.85Å; M342-F480 HydrophobicContact CB-CB 4.22Å; M342-F480 HydrophobicContact CB-CD1 3.33Å; M342-F480 HydrophobicContact CB-CD2 3.79Å; M342-F480 HydrophobicContact CB-CE1 3.41Å; M342-F480 VanDerWaalsContact CB-CE1 3.41Å; M342-F480 HydrophobicContact CB-CE2 3.87Å; M342-F480 HydrophobicContact CB-CG 3.52Å; M342-F480 HydrophobicContact CB-CZ 3.69Å; M342-F480 HydrophobicContact CE-CE2 3.73Å; M342-F480 HydrophobicContact CE-CZ 3.71Å; M342-F480 HydrophobicContact CG-CD1 4.19Å; M342-F480 HydrophobicContact CG-CE1 3.78Å; M342-F480 HydrophobicContact CG-CE2 4.48Å; M342-F480 HydrophobicContact CG-CZ 3.94Å
343	A	97.4	Very high	94.8	Very high	18 Å²	18	23.6 Å²	23.6	15%	0.149	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-37.9	172.7	0	0	0	0	0	111.1	A339 S340 E346 S347 F480	A339-A343 VanDerWaalsContact O-CB 3.31Å; A339-A343 WeakPolarHBondContact O-CB 3.43Å; A339-A343 PolarHBondContact O-N 2.87Å; S340-A343 PolarHBondContact O-N 3.25Å; A343-E346 WeakPolarHBondContact O-CB 3.22Å; A343-E346 PolarHBondContact O-N 2.99Å; A343-S347 PolarHBondContact O-N 2.61Å; A343-F480 HydrophobicContact CB-CB 3.86Å
344	Y	96	Very high	94.7	Very high	46 Å²	46	23.6 Å²	23.6	18%	0.18	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-47.3	170.7	177.2	-95.1	0	0	0	111.5	L284 R285 H286 L289 S340 G341 M342 E346 S347 R348	L284-Y344 HydrophobicContact CB-CE1 4.18Å; L284-Y344 HydrophobicContact CD2-CD1 4.48Å; L284-Y344 HydrophobicContact CD2-CE1 3.75Å; R285-Y344 PolarHBondContact N-OH 2.73Å; R285-Y344 WeakPolarHBondContact O-CE2 3.38Å; R285-Y344 VanDerWaalsContact O-CZ 3.25Å; R285-Y344 PolarHBondContact O-OH 3.2Å; H286-Y344 HydrophobicContact CB-CD1 3.68Å; H286-Y344 HydrophobicContact CB-CD2 4.1Å; H286-Y344 HydrophobicContact CB-CE1 3.99Å; H286-Y344 HydrophobicContact CB-CE2 4.4Å; H286-Y344 HydrophobicContact CB-CG 3.71Å; H286-Y344 AromaticContact CD2-CD2 3.8Å; H286-Y344 AromaticContact CD2-CG 3.74Å; H286-Y344 AromaticContact CG-CG 3.8Å; L289-Y344 HydrophobicContact CD1-CD1 3.57Å; L289-Y344 HydrophobicContact CD1-CE1 3.96Å; S340-Y344 PolarHBondContact O-N 3.39Å; S340-Y344 VanDerWaalsContact O-N 3.15Å; G341-Y344 WeakPolarHBondContact O-CB 3.44Å; G341-Y344 PolarHBondContact O-N 3.43Å; M342-Y344 VanDerWaalsContact C-N 3.29Å; M342-Y344 PolarHBondContact O-N 2.87Å; Y344-E346 VanDerWaalsContact C-N 3.32Å; Y344-E346 PolarHBondContact O-N 3.36Å; Y344-S347 PolarHBondContact O-N 2.83Å; Y344-S347 PolarHBondContact O-OG 3.11Å; Y344-R348 HydrophobicContact CD1-CG 4.23Å; Y344-R348 HydrophobicContact CD2-CG 4.4Å; Y344-R348 HydrophobicContact CE1-CG 3.88Å; Y344-R348 HydrophobicContact CE2-CG 4.05Å; Y344-R348 HydrophobicContact CG-CG 4.5Å; Y344-R348 VanDerWaalsContact O-CG 3.27Å; Y344-R348 WeakPolarHBondContact O-CG 3.42Å; Y344-R348 PolarHBondContact O-N 3.27Å; Y344-R348 VanDerWaalsContact O-N 3.09Å
345	L	93.6	Very high	94.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-42.8	176.4	-65	-178.2	0	0	0	112.4	L284 L289 G341 M342 S347 R348 N349 Y350 H352 F373	L284-L345 HydrophobicContact CD1-CD2 3.62Å; L284-L345 HydrophobicContact CD2-CD2 3.95Å; L284-L345 HydrophobicContact CG-CD2 4.37Å; L289-L345 HydrophobicContact CD1-CD2 3.56Å; L289-L345 HydrophobicContact CD1-CG 4.08Å; L289-L345 HydrophobicContact CD2-CD1 4.33Å; L289-L345 HydrophobicContact CD2-CD2 4.46Å; L289-L345 HydrophobicContact CD2-CG 4.24Å; G341-L345 PolarHBondContact O-N 3.09Å; G341-L345 VanDerWaalsContact O-N 3.17Å; M342-L345 HydrophobicContact CE-CD1 4.13Å; M342-L345 PolarHBondContact O-N 3.08Å; M342-L345 HydrophobicContact SD-CD1 3.74Å; L345-S347 PolarHBondContact O-N 3.25Å; L345-R348 CarbonylContact O-C 3.54Å; L345-R348 PolarHBondContact O-N 3.36Å; L345-R348 VanDerWaalsContact O-N 3.11Å; L345-N349 PolarHBondContact O-N 3.38Å; L345-N349 VanDerWaalsContact O-N 3.11Å; L345-Y350 PolarHBondContact O-N 3.01Å; L345-H352 HydrophobicContact CD1-CB 4.42Å; L345-F373 HydrophobicContact CD1-CE1 3.97Å; L345-F373 HydrophobicContact CD2-CE1 4.15Å
346	E	94.1	Very high	94.7	Very high	37 Å²	37	23.6 Å²	23.6	17%	0.173	12%	0.12	C	C	.	.	H	α-helix	trans	-54.7	-50.9	173.5	178.6	170	-122.6	0	0	110.5	M342 A343 Y344 R348 N349 I412 F480	M342-E346 WeakPolarHBondContact O-CB 3.28Å; M342-E346 PolarHBondContact O-N 3.23Å; A343-E346 WeakPolarHBondContact O-CB 3.22Å; A343-E346 PolarHBondContact O-N 2.99Å; Y344-E346 VanDerWaalsContact C-N 3.32Å; Y344-E346 PolarHBondContact O-N 3.36Å; E346-R348 PolarHBondContact O-N 2.62Å; E346-R348 VanDerWaalsContact O-N 3.14Å; E346-N349 PolarHBondContact O-N 3.1Å; E346-I412 HydrophobicContact CB-CD1 3.88Å; E346-I412 HydrophobicContact CB-CG1 3.84Å; E346-I412 HydrophobicContact CG-CD1 4.45Å; E346-I412 HydrophobicContact CG-CG1 3.85Å; E346-F480 PolarHBondContact OE2-N 2.76Å
347	S	93.9	Very high	94.7	Very high	78 Å²	78	23.5 Å²	23.5	55%	0.545	12%	0.119	S	C	.	.	H	α-helix	trans	-63.5	-21.4	178.7	80	0	0	0	0	114.3	A343 Y344 L345	A343-S347 PolarHBondContact O-N 2.61Å; Y344-S347 PolarHBondContact O-N 2.83Å; Y344-S347 PolarHBondContact O-OG 3.11Å; L345-S347 PolarHBondContact O-N 3.25Å
348	R	90.6	Very high	94.6	Very high	127 Å²	127	26.4 Å²	26.4	48%	0.479	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.7	179.4	-59.2	-60.7	-73.1	170.3	-4.5	112.6	L284 Y344 L345 E346 Y350	L284-R348 HydrophobicContact CD2-CB 4.2Å; L284-R348 HydrophobicContact CD2-CG 4.36Å; Y344-R348 HydrophobicContact CD1-CG 4.23Å; Y344-R348 HydrophobicContact CD2-CG 4.4Å; Y344-R348 HydrophobicContact CE1-CG 3.88Å; Y344-R348 HydrophobicContact CE2-CG 4.05Å; Y344-R348 HydrophobicContact CG-CG 4.5Å; Y344-R348 VanDerWaalsContact O-CG 3.27Å; Y344-R348 WeakPolarHBondContact O-CG 3.42Å; Y344-R348 PolarHBondContact O-N 3.27Å; Y344-R348 VanDerWaalsContact O-N 3.09Å; L345-R348 CarbonylContact O-C 3.54Å; L345-R348 PolarHBondContact O-N 3.36Å; L345-R348 VanDerWaalsContact O-N 3.11Å; E346-R348 PolarHBondContact O-N 2.62Å; E346-R348 VanDerWaalsContact O-N 3.14Å; R348-Y350 VanDerWaalsContact C-N 3.33Å; R348-Y350 HydrophobicContact CB-CD2 3.7Å; R348-Y350 HydrophobicContact CB-CE2 4.14Å; R348-Y350 WeakPolarHBondContact O-CD2 3.43Å; R348-Y350 PolarHBondContact O-N 3.03Å
349	N	87.9	Confident	94.5	Very high	100 Å²	100	26.9 Å²	26.9	54%	0.535	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	38.5	-178	-55.2	-56.7	0	0	0	113.8	L345 E346 F379	L345-N349 PolarHBondContact O-N 3.38Å; L345-N349 VanDerWaalsContact O-N 3.11Å; E346-N349 PolarHBondContact O-N 3.1Å; N349-F379 PolarHBondContact O-N 3.26Å
350	Y	89.3	Confident	94.5	Very high	27 Å²	27	26.9 Å²	26.9	11%	0.106	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	143	173.4	-79.1	-95.8	0	0	0	111.5	I280 L284 L345 R348 V378	I280-Y350 HydrophobicContact CB-CE1 4.22Å; I280-Y350 HydrophobicContact CG1-CE1 4.11Å; I280-Y350 HydrophobicContact CG2-CD1 3.82Å; I280-Y350 HydrophobicContact CG2-CE1 3.6Å; L284-Y350 HydrophobicContact CD1-CD1 4.32Å; L284-Y350 HydrophobicContact CD1-CE1 4.39Å; L284-Y350 HydrophobicContact CD1-CG 4.44Å; L284-Y350 HydrophobicContact CD2-CD2 3.72Å; L284-Y350 HydrophobicContact CD2-CE2 3.7Å; L284-Y350 HydrophobicContact CD2-CG 4.26Å; L284-Y350 HydrophobicContact CG-CE2 4.41Å; L345-Y350 PolarHBondContact O-N 3.01Å; R348-Y350 VanDerWaalsContact C-N 3.33Å; R348-Y350 HydrophobicContact CB-CD2 3.7Å; R348-Y350 HydrophobicContact CB-CE2 4.14Å; R348-Y350 WeakPolarHBondContact O-CD2 3.43Å; R348-Y350 PolarHBondContact O-N 3.03Å; Y350-V378 HydrophobicContact CD1-CG2 3.96Å; Y350-V378 HydrophobicContact CE1-CB 4.45Å; Y350-V378 HydrophobicContact CE1-CG2 3.23Å; Y350-V378 HydrophobicContact CE2-CG2 4.2Å; Y350-V378 WeakPolarHBondContact OH-CG2 3.37Å
351	I	89.9	Confident	94.4	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.5	165.6	-56.6	-177.5	0	0	0	109.3	R353 A376 R377 F379 F410 D415	I351-R353 HydrophobicContact CB-CG 3.99Å; I351-R353 HydrophobicContact CG2-CB 4.33Å; I351-R353 HydrophobicContact CG2-CG 3.31Å; I351-A376 CarbonylContact O-C 3.47Å; I351-A376 WeakPolarHBondContact O-CA 3.4Å; I351-A376 WeakPolarHBondContact O-CB 3.45Å; I351-R377 PolarHBondContact N-O 3.15Å; I351-R377 PolarHBondContact O-N 2.79Å; I351-R377 VanDerWaalsContact O-N 3.13Å; I351-F379 HydrophobicContact CD1-CD2 4.09Å; I351-F379 HydrophobicContact CD1-CE1 3.89Å; I351-F379 HydrophobicContact CD1-CE2 2.97Å; I351-F379 HydrophobicContact CD1-CZ 2.89Å; I351-F379 HydrophobicContact CG1-CD2 3.96Å; I351-F379 HydrophobicContact CG1-CE2 3.15Å; I351-F379 HydrophobicContact CG1-CZ 3.68Å; I351-F410 VanDerWaalsContact CD1-C 3.5Å; I351-F410 HydrophobicContact CD1-CB 4.14Å; I351-F410 WeakPolarHBondContact CD1-O 3.46Å; I351-D415 WeakPolarHBondContact CA-OD2 3.48Å; I351-D415 WeakPolarHBondContact CG2-OD2 3.38Å
352	H	92.2	Very high	94.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.136	C	C	.	.			trans	-73.9	-47.3	173.6	-167.6	-49.3	0	0	0	113.2	M342 L345 D354 V370 A371 D372 D415	M342-H352 HydrophobicContact CE-CB 3.9Å; M342-H352 HydrophobicContact SD-CB 4.33Å; L345-H352 HydrophobicContact CD1-CB 4.42Å; H352-D354 PolarHBondContact CE1-O 2.72Å; H352-D354 PolarHBondContact ND1-N 3.03Å; H352-D354 PolarHBondContact O-N 2.94Å; H352-V370 WeakPolarHBondContact CD2-CG1 3.06Å; H352-V370 WeakPolarHBondContact NE2-CG1 3.19Å; H352-A371 PolarHBondContact CE1-O 3.3Å; H352-A371 PolarHBondContact NE2-O 3.34Å; H352-D372 PolarHBondContact CE1-O 2.79Å; H352-D372 VanDerWaalsContact CE1-O 3.29Å; H352-D415 WeakPolarHBondContact CB-OD2 3.42Å; H352-D415 PolarHBondContact N-OD2 3.07Å
353	R	91.2	Very high	94.1	Very high	8 Å²	8	28.2 Å²	28.2	3%	0.03	14%	0.14	C	C	.	.	S	Bend	trans	71.6	-5.7	178.3	-56.7	179.5	54.8	-144.1	7.3	116.4	I351 L375 F410 D415	I351-R353 HydrophobicContact CB-CG 3.99Å; I351-R353 HydrophobicContact CG2-CB 4.33Å; I351-R353 HydrophobicContact CG2-CG 3.31Å; R353-L375 HydrophobicContact CB-CB 4.23Å; R353-L375 VanDerWaalsContact CD-O 3.28Å; R353-L375 WeakPolarHBondContact CD-O 3.27Å; R353-L375 PolarHBondContact NH1-O 3.11Å; R353-F410 HydrophobicContact CB-CD1 4.24Å; R353-F410 HydrophobicContact CG-CB 4.26Å; R353-F410 HydrophobicContact CG-CD1 3.96Å; R353-F410 HydrophobicContact CG-CG 4.2Å; R353-D415 WeakPolarHBondContact CA-OD1 3.33Å; R353-D415 PolarHBondContact N-OD1 2.68Å
354	D	91.7	Very high	93.6	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.091	15%	0.153	C	C	.	.			trans	-149.4	48.5	177.3	-166.1	15.6	0	0	0	112.2	H352 A356 R358 N359 L375 P396	H352-D354 PolarHBondContact CE1-O 2.72Å; H352-D354 PolarHBondContact ND1-N 3.03Å; H352-D354 PolarHBondContact O-N 2.94Å; D354-A356 PolarHBondContact O-N 2.98Å; D354-R358 IonicContact OD1-CZ 3.42Å; D354-R358 IonicContact OD1-NH2 2.73Å; D354-R358 PolarHBondContact OD1-NH2 3.05Å; D354-R358 IonicContact OD2-CZ 3.41Å; D354-R358 IonicContact OD2-NE 3.62Å; D354-R358 IonicContact OD2-NH2 3.17Å; D354-R358 PolarHBondContact OD2-NH2 3.21Å; D354-N359 VanDerWaalsContact CG-ND2 3.25Å; D354-N359 PolarHBondContact O-ND2 2.79Å; D354-N359 PolarHBondContact OD2-ND2 3.37Å; D354-L375 HydrophobicContact CB-CD1 4.06Å; D354-P396 VanDerWaalsContact OD1-CG 3.26Å; D354-P396 WeakPolarHBondContact OD1-CG 3.46Å
355	L	97.4	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.			trans	-73.3	116.7	175.8	-176.6	64	0	0	0	110.3	V338 M342 V370 S418 F419 L422 F480	V338-L355 HydrophobicContact CG1-CD1 4.07Å; M342-L355 HydrophobicContact CE-CD2 4.05Å; M342-L355 HydrophobicContact CG-CD1 4.35Å; M342-L355 HydrophobicContact CG-CD2 3.85Å; M342-L355 HydrophobicContact SD-CD1 3.96Å; M342-L355 HydrophobicContact SD-CD2 3.94Å; M342-L355 HydrophobicContact SD-CG 4.47Å; L355-V370 HydrophobicContact CD1-CG1 4.09Å; L355-S418 WeakPolarHBondContact O-CB 3.45Å; L355-F419 HydrophobicContact CD2-CB 3.8Å; L355-F419 HydrophobicContact CD2-CD2 4.05Å; L355-F419 HydrophobicContact CD2-CG 4.43Å; L355-L422 HydrophobicContact CD1-CD2 4.19Å; L355-L422 HydrophobicContact CG-CD2 4.21Å; L355-F480 HydrophobicContact CD2-CE1 4.38Å; L355-F480 HydrophobicContact CD2-CZ 4.16Å
356	A	97.6	Very high	92.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-160.1	164.9	-179.1	0	0	0	0	0	110.6	D354 R358 N359 V360 W399	D354-A356 PolarHBondContact O-N 2.98Å; A356-R358 HydrophobicContact CB-CG 4.15Å; A356-R358 VanDerWaalsContact CB-NH1 3.31Å; A356-R358 PolarHBondContact O-N 2.7Å; A356-R358 VanDerWaalsContact O-N 3.16Å; A356-N359 CarbonylContact O-C 3.56Å; A356-N359 WeakPolarHBondContact O-CA 3.27Å; A356-N359 PolarHBondContact O-N 3.13Å; A356-V360 PolarHBondContact O-N 2.88Å; A356-W399 HydrophobicContact CB-CD2 4.38Å; A356-W399 HydrophobicContact CB-CG 4.12Å
357	A	98.2	Very high	92.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.2	-177.8	0	0	0	0	0	113.3	L314 Q315 N359 V360 L422 E425	L314-A357 WeakPolarHBondContact CB-O 3.38Å; L314-A357 HydrophobicContact CD2-CB 4.45Å; L314-A357 PolarHBondContact N-O 3.03Å; Q315-A357 HydrophobicContact CB-CB 4.04Å; Q315-A357 PolarHBondContact N-O 3.29Å; Q315-A357 VanDerWaalsContact N-O 3.12Å; A357-N359 PolarHBondContact O-N 2.97Å; A357-V360 PolarHBondContact O-N 3.07Å; A357-L422 HydrophobicContact CB-CD1 3.77Å; A357-E425 HydrophobicContact CB-CB 4Å; A357-E425 HydrophobicContact CB-CG 4.43Å; A357-E425 PolarHBondContact N-OE2 3.25Å
358	R	95.6	Very high	92.6	Very high	69 Å²	69	32.9 Å²	32.9	26%	0.26	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-67.3	-22.4	174.2	67.8	180	-176.7	-78.8	-3.4	113.8	Q315 D354 A356	Q315-R358 HydrophobicContact CB-CB 4.33Å; D354-R358 IonicContact OD1-CZ 3.42Å; D354-R358 IonicContact OD1-NH2 2.73Å; D354-R358 PolarHBondContact OD1-NH2 3.05Å; D354-R358 IonicContact OD2-CZ 3.41Å; D354-R358 IonicContact OD2-NE 3.62Å; D354-R358 IonicContact OD2-NH2 3.17Å; D354-R358 PolarHBondContact OD2-NH2 3.21Å; A356-R358 HydrophobicContact CB-CG 4.15Å; A356-R358 VanDerWaalsContact CB-NH1 3.31Å; A356-R358 PolarHBondContact O-N 2.7Å; A356-R358 VanDerWaalsContact O-N 3.16Å
359	N	95.9	Very high	92.9	Very high	12 Å²	12	28 Å²	28	6%	0.064	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-106.5	15	-179.1	-66.7	-15.1	0	0	0	112	D354 A356 A357 A371 D372	D354-N359 VanDerWaalsContact CG-ND2 3.25Å; D354-N359 PolarHBondContact O-ND2 2.79Å; D354-N359 PolarHBondContact OD2-ND2 3.37Å; A356-N359 CarbonylContact O-C 3.56Å; A356-N359 WeakPolarHBondContact O-CA 3.27Å; A356-N359 PolarHBondContact O-N 3.13Å; A357-N359 PolarHBondContact O-N 2.97Å; N359-A371 PolarHBondContact O-N 2.7Å; N359-D372 HydrophobicContact CB-CB 4.34Å
360	V	98.2	Very high	93.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.3	164.9	178.8	0	0	0	0	106.8	S313 L314 V338 A356 A357 K369 L422	S313-V360 CarbonylContact C-O 3.37Å; S313-V360 WeakPolarHBondContact CA-O 3.39Å; L314-V360 HydrophobicContact CB-CB 3.87Å; L314-V360 HydrophobicContact CB-CG1 4.03Å; L314-V360 WeakPolarHBondContact CB-O 3.31Å; L314-V360 HydrophobicContact CD2-CB 4Å; L314-V360 HydrophobicContact CD2-CG1 3.92Å; L314-V360 PolarHBondContact N-O 3.17Å; V338-V360 HydrophobicContact CG1-CG2 4.49Å; V338-V360 HydrophobicContact CG2-CG1 3.81Å; V338-V360 HydrophobicContact CG2-CG2 3.84Å; A356-V360 PolarHBondContact O-N 2.88Å; A357-V360 PolarHBondContact O-N 3.07Å; V360-K369 CarbonylContact C-O 3.55Å; V360-K369 WeakPolarHBondContact CA-O 3.27Å; V360-L422 HydrophobicContact CG2-CD1 4.49Å; V360-L422 HydrophobicContact CG2-CD2 4.12Å
361	L	97.3	Very high	93.5	Very high	42 Å²	42	22.2 Å²	22.2	22%	0.22	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.8	-179.4	-64.1	178.1	0	0	0	111.2	I290 M309 G312 Y368 K369 A371	I290-L361 HydrophobicContact CD1-CD1 3.85Å; I290-L361 HydrophobicContact CG1-CD1 4.3Å; M309-L361 HydrophobicContact CB-CB 3.63Å; M309-L361 HydrophobicContact CB-CD1 4.22Å; M309-L361 HydrophobicContact CB-CG 4.44Å; M309-L361 HydrophobicContact CE-CB 4.17Å; M309-L361 VanDerWaalsContact CE-O 3.24Å; M309-L361 WeakPolarHBondContact CE-O 3.32Å; M309-L361 HydrophobicContact CG-CB 3.59Å; M309-L361 HydrophobicContact CG-CD1 3.98Å; M309-L361 HydrophobicContact CG-CG 4.43Å; G312-L361 CarbonylContact O-C 3.58Å; G312-L361 WeakPolarHBondContact O-CA 3.49Å; L361-Y368 WeakPolarHBondContact O-CA 3.17Å; L361-K369 PolarHBondContact N-O 3.43Å; L361-K369 PolarHBondContact O-N 2.97Å; L361-A371 HydrophobicContact CD1-CB 3.57Å; L361-A371 HydrophobicContact CG-CB 3.7Å
362	V	96.6	Very high	93.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.5	-175.7	-171.2	0	0	0	0	110.3	M309 H311 G312 L314 Y317 Y368	M309-V362 CarbonylContact C-O 3.53Å; H311-V362 WeakPolarHBondContact CA-O 3.46Å; H311-V362 HydrophobicContact CB-CB 3.74Å; H311-V362 HydrophobicContact CB-CG1 3.75Å; H311-V362 WeakPolarHBondContact CB-O 3.22Å; H311-V362 PolarHBondContact N-O 2.97Å; G312-V362 PolarHBondContact O-N 2.94Å; L314-V362 HydrophobicContact CB-CG2 3.92Å; L314-V362 HydrophobicContact CD1-CG2 4Å; Y317-V362 HydrophobicContact CD1-CG1 3.97Å; Y317-V362 HydrophobicContact CD1-CG2 4.06Å; Y317-V362 HydrophobicContact CD2-CG1 4.19Å; Y317-V362 HydrophobicContact CE1-CG1 4.04Å; Y317-V362 HydrophobicContact CE2-CG1 4.29Å; Y317-V362 HydrophobicContact CG-CB 4.27Å; Y317-V362 HydrophobicContact CG-CG1 4.03Å; Y317-V362 HydrophobicContact CG-CG2 3.95Å; V362-Y368 HydrophobicContact CB-CD1 4.37Å; V362-Y368 HydrophobicContact CG1-CD1 3.99Å; V362-Y368 HydrophobicContact CG1-CE1 3.76Å; V362-Y368 HydrophobicContact CG2-CD1 4.01Å; V362-Y368 HydrophobicContact CG2-CE1 4.3Å
363	G	92.1	Very high	92.3	Very high	7 Å²	7	25 Å²	25	7%	0.072	12%	0.122	C	C	.	.			trans	-103.4	-178.4	177.6	0	0	0	0	0	111.5	H311 I367	H311-G363 PolarHBondContact CD2-O 3.38Å; G363-I367 PolarHBondContact N-O 3.19Å
364	E	86.9	Confident	90.9	Very high	91 Å²	91	26 Å²	26	43%	0.425	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-67.1	163.2	173.9	-64.3	178.7	157.2	0	0	111.2	R310 N366 I367	R310-E364 WeakPolarHBondContact CD-OE1 3.49Å; R310-E364 IonicContact CZ-OE1 2.7Å; R310-E364 IonicContact NE-OE1 3.05Å; R310-E364 PolarHBondContact NE-OE1 3.17Å; E364-N366 PolarHBondContact O-N 3.17Å; E364-N366 VanDerWaalsContact O-N 3.17Å; E364-I367 WeakPolarHBondContact O-CB 3.41Å; E364-I367 WeakPolarHBondContact O-CG1 3.42Å; E364-I367 PolarHBondContact O-N 2.72Å
365	H	82.8	Confident	89.3	Confident	89 Å²	89	27.5 Å²	27.5	41%	0.412	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	57.6	30.7	173.2	-48.6	104.3	0	0	0	115	Q212 I367	Q212-H365 HydrophobicContact CG-CB 4.27Å; H365-I367 VanDerWaalsContact C-N 3.35Å
366	N	86.4	Confident	87.5	Confident	40 Å²	40	27.5 Å²	27.5	21%	0.214	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	62.1	37.4	-178.5	-54	-55.8	0	0	0	113.5	K128 Q330 Q337 E364 Y368	K128-N366 VanDerWaalsContact CE-ND2 3.34Å; K128-N366 WeakPolarHBondContact CE-ND2 3.43Å; Q330-N366 PolarHBondContact NE2-OD1 3.49Å; Q337-N366 PolarHBondContact NE2-O 3.4Å; Q337-N366 PolarHBondContact OE1-O 3.15Å; E364-N366 PolarHBondContact O-N 3.17Å; E364-N366 VanDerWaalsContact O-N 3.17Å; N366-Y368 HydrophobicContact CB-CE2 4.13Å; N366-Y368 WeakPolarHBondContact O-CD2 3.44Å; N366-Y368 WeakPolarHBondContact O-CE2 3.28Å
367	I	90.3	Very high	86	Confident	58 Å²	58	30 Å²	30	30%	0.297	15%	0.152	S	C	.	.			trans	-88.9	125.2	170.7	-63.5	-63	0	0	0	109.5	M309 G363 E364 H365 K369	M309-I367 HydrophobicContact CE-CG2 4.37Å; G363-I367 PolarHBondContact N-O 3.19Å; E364-I367 WeakPolarHBondContact O-CB 3.41Å; E364-I367 WeakPolarHBondContact O-CG1 3.42Å; E364-I367 PolarHBondContact O-N 2.72Å; H365-I367 VanDerWaalsContact C-N 3.35Å; I367-K369 HydrophobicContact CG2-CD 4.39Å; I367-K369 HydrophobicContact CG2-CG 4.01Å
368	Y	95.7	Very high	84.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.1	174.6	-45.9	-78.8	0	0	0	109.4	L314 Q330 I334 Q337 L361 V362 N366	L314-Y368 HydrophobicContact CD1-CD1 4.36Å; L314-Y368 HydrophobicContact CD1-CE1 4.46Å; Q330-Y368 PolarHBondContact NE2-OH 3.38Å; I334-Y368 HydrophobicContact CB-CD2 4.17Å; I334-Y368 HydrophobicContact CB-CE2 4.21Å; I334-Y368 HydrophobicContact CB-CG 4.47Å; I334-Y368 HydrophobicContact CD1-CE1 4.1Å; I334-Y368 HydrophobicContact CD1-CE2 4.4Å; I334-Y368 HydrophobicContact CG1-CD1 3.99Å; I334-Y368 HydrophobicContact CG1-CD2 3.67Å; I334-Y368 HydrophobicContact CG1-CE1 3.62Å; I334-Y368 HydrophobicContact CG1-CE2 3.29Å; I334-Y368 HydrophobicContact CG1-CG 4.02Å; I334-Y368 HydrophobicContact CG2-CD2 4.49Å; I334-Y368 HydrophobicContact CG2-CG 4.32Å; Q337-Y368 HydrophobicContact CB-CD2 4.37Å; Q337-Y368 HydrophobicContact CG-CD2 4.43Å; L361-Y368 WeakPolarHBondContact O-CA 3.17Å; V362-Y368 HydrophobicContact CB-CD1 4.37Å; V362-Y368 HydrophobicContact CG1-CD1 3.99Å; V362-Y368 HydrophobicContact CG1-CE1 3.76Å; V362-Y368 HydrophobicContact CG2-CD1 4.01Å; V362-Y368 HydrophobicContact CG2-CE1 4.3Å; N366-Y368 HydrophobicContact CB-CE2 4.13Å; N366-Y368 WeakPolarHBondContact O-CD2 3.44Å; N366-Y368 WeakPolarHBondContact O-CE2 3.28Å
369	K	97.3	Very high	82.6	Confident	24 Å²	24	32.3 Å²	32.3	10%	0.104	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.8	-177.8	-61	-173.3	171.8	-154.3	0	111.3	P287 K288 E307 M309 V360 L361 I367	P287-K369 WeakPolarHBondContact O-CE 3.17Å; K288-K369 WeakPolarHBondContact O-CA 3.04Å; E307-K369 WeakPolarHBondContact OE1-CD 3.39Å; E307-K369 IonicContact OE1-NZ 2.89Å; E307-K369 PolarHBondContact OE1-NZ 2.86Å; E307-K369 VanDerWaalsContact OE2-CE 3.3Å; E307-K369 WeakPolarHBondContact OE2-CE 3.19Å; E307-K369 IonicContact OE2-NZ 3.88Å; E307-K369 PolarHBondContact OE2-NZ 2.59Å; M309-K369 HydrophobicContact CE-CB 3.95Å; M309-K369 HydrophobicContact CE-CD 3.98Å; M309-K369 HydrophobicContact CE-CG 3.75Å; M309-K369 HydrophobicContact SD-CD 4.01Å; M309-K369 HydrophobicContact SD-CG 4.45Å; V360-K369 CarbonylContact C-O 3.55Å; V360-K369 WeakPolarHBondContact CA-O 3.27Å; L361-K369 PolarHBondContact N-O 3.43Å; L361-K369 PolarHBondContact O-N 2.97Å; I367-K369 HydrophobicContact CG2-CD 4.39Å; I367-K369 HydrophobicContact CG2-CG 4.01Å
370	V	97.2	Very high	80.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136	172.5	-176.2	0	0	0	0	109.2	K288 L289 I290 V338 M342 H352 L355	K288-V370 PolarHBondContact O-N 3.36Å; L289-V370 HydrophobicContact CD2-CB 3.72Å; L289-V370 HydrophobicContact CD2-CG1 4.39Å; L289-V370 HydrophobicContact CD2-CG2 4.29Å; I290-V370 PolarHBondContact N-O 3.34Å; V338-V370 HydrophobicContact CB-CG2 4.39Å; V338-V370 HydrophobicContact CG1-CG2 3.81Å; V338-V370 HydrophobicContact CG2-CG2 4.44Å; M342-V370 HydrophobicContact CG-CG2 4.48Å; M342-V370 HydrophobicContact SD-CG1 4.13Å; M342-V370 HydrophobicContact SD-CG2 4.48Å; H352-V370 WeakPolarHBondContact CD2-CG1 3.06Å; H352-V370 WeakPolarHBondContact NE2-CG1 3.19Å; L355-V370 HydrophobicContact CD1-CG1 4.09Å
371	A	92.7	Very high	77.8	Confident	6 Å²	6	46.3 Å²	46.3	5%	0.05	24%	0.242	C	C	.	.			trans	-139.7	178.7	-174.2	0	0	0	0	0	112	I290 H352 N359 L361	I290-A371 HydrophobicContact CB-CB 4Å; I290-A371 HydrophobicContact CG2-CB 3.78Å; H352-A371 PolarHBondContact CE1-O 3.3Å; H352-A371 PolarHBondContact NE2-O 3.34Å; N359-A371 PolarHBondContact O-N 2.7Å; L361-A371 HydrophobicContact CD1-CB 3.57Å; L361-A371 HydrophobicContact CG-CB 3.7Å
372	D	82.6	Confident	75.2	Confident	59 Å²	59	50.5 Å²	50.5	32%	0.316	27%	0.265	S	S	.	.			trans	59.4	74	179.2	-158.3	-3.7	0	0	0	114.4	K262 H352 N359 G374	K262-D372 IonicContact NZ-OD1 3.63Å; H352-D372 PolarHBondContact CE1-O 2.79Å; H352-D372 VanDerWaalsContact CE1-O 3.29Å; N359-D372 HydrophobicContact CB-CB 4.34Å; D372-G374 PolarHBondContact O-N 3.29Å; D372-G374 PolarHBondContact OD1-N 2.95Å
373	F	73.8	Confident	72.8	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.009	31%	0.307	C	S	.	.			trans	-84.2	14.7	175.1	-56.3	-79.6	0	0	0	112.9	E277 I280 M281 L284 L289 I290 L345 L375 A376	E277-F373 HydrophobicContact CG-CB 4.15Å; I280-F373 HydrophobicContact CG2-CB 4.08Å; I280-F373 HydrophobicContact CG2-CD1 4.43Å; I280-F373 HydrophobicContact CG2-CG 4.29Å; M281-F373 HydrophobicContact CG-CD2 3.29Å; M281-F373 HydrophobicContact CG-CE2 3.65Å; M281-F373 HydrophobicContact CG-CG 4.21Å; M281-F373 HydrophobicContact SD-CD2 3.63Å; M281-F373 HydrophobicContact SD-CE2 3.98Å; L284-F373 HydrophobicContact CD1-CE1 4.37Å; L289-F373 HydrophobicContact CB-CZ 4.31Å; L289-F373 HydrophobicContact CD1-CZ 4.36Å; L289-F373 HydrophobicContact CD2-CZ 4.16Å; I290-F373 HydrophobicContact CG2-CD2 4.39Å; I290-F373 HydrophobicContact CG2-CE2 3.75Å; L345-F373 HydrophobicContact CD1-CE1 3.97Å; L345-F373 HydrophobicContact CD2-CE1 4.15Å; F373-L375 PolarHBondContact O-N 3.39Å; F373-L375 VanDerWaalsContact O-N 3.07Å; F373-A376 HydrophobicContact CB-CB 3.78Å; F373-A376 HydrophobicContact CD1-CB 4.12Å; F373-A376 HydrophobicContact CG-CB 4.46Å; F373-A376 VanDerWaalsContact O-CB 3.27Å; F373-A376 WeakPolarHBondContact O-CB 3.49Å; F373-A376 PolarHBondContact O-N 3.35Å
374	G	62.2	Low	70.9	Confident	28 Å²	28	64.5 Å²	64.5	29%	0.289	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	-175.2	0	0	0	0	0	113.6	D372 R377	D372-G374 PolarHBondContact O-N 3.29Å; D372-G374 PolarHBondContact OD1-N 2.95Å; G374-R377 PolarHBondContact O-NH1 3.47Å
375	L	57.8	Low	69.7	Low	49 Å²	49	66.6 Å²	66.6	26%	0.257	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-10.3	174.7	-64.4	179.1	0	0	0	114	R353 D354 F373 I393	R353-L375 HydrophobicContact CB-CB 4.23Å; R353-L375 VanDerWaalsContact CD-O 3.28Å; R353-L375 WeakPolarHBondContact CD-O 3.27Å; R353-L375 PolarHBondContact NH1-O 3.11Å; D354-L375 HydrophobicContact CB-CD1 4.06Å; F373-L375 PolarHBondContact O-N 3.39Å; F373-L375 VanDerWaalsContact O-N 3.07Å; L375-I393 HydrophobicContact CD2-CG2 4.31Å
376	A	60.4	Low	68.8	Low	1 Å²	1	65.8 Å²	65.8	1%	0.008	35%	0.346	C	S	.	.			trans	-65.2	153.1	-174.8	0	0	0	0	0	112.2	I280 I351 F373	I280-A376 HydrophobicContact CD1-CB 3.89Å; I280-A376 WeakPolarHBondContact CD1-O 3.26Å; I280-A376 HydrophobicContact CG2-CB 4.41Å; I351-A376 CarbonylContact O-C 3.47Å; I351-A376 WeakPolarHBondContact O-CA 3.4Å; I351-A376 WeakPolarHBondContact O-CB 3.45Å; F373-A376 HydrophobicContact CB-CB 3.78Å; F373-A376 HydrophobicContact CD1-CB 4.12Å; F373-A376 HydrophobicContact CG-CB 4.46Å; F373-A376 VanDerWaalsContact O-CB 3.27Å; F373-A376 WeakPolarHBondContact O-CB 3.49Å; F373-A376 PolarHBondContact O-N 3.35Å
377	R	65.1	Low	67.9	Low	51 Å²	51	67 Å²	67	19%	0.192	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.9	-179.4	-64.6	-64.3	-179.8	-92.6	1.3	111.3	R276 I351 G374	R276-R377 VanDerWaalsContact NH1-NH2 3.17Å; I351-R377 PolarHBondContact N-O 3.15Å; I351-R377 PolarHBondContact O-N 2.79Å; I351-R377 VanDerWaalsContact O-N 3.13Å; G374-R377 PolarHBondContact O-NH1 3.47Å
378	V	59.2	Low	66.5	Low	82 Å²	82	69.6 Å²	69.6	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.5	168.4	-179	0	0	0	0	108.9	Y350	Y350-V378 HydrophobicContact CD1-CG2 3.96Å; Y350-V378 HydrophobicContact CE1-CB 4.45Å; Y350-V378 HydrophobicContact CE1-CG2 3.23Å; Y350-V378 HydrophobicContact CE2-CG2 4.2Å; Y350-V378 WeakPolarHBondContact OH-CG2 3.37Å
379	F	65.1	Low	64.6	Low	36 Å²	36	70.2 Å²	70.2	16%	0.158	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-84.8	137.2	167.3	-72.7	-68.8	0	0	0	113	N349 I351 D385 I386 Y387 F410	N349-F379 PolarHBondContact O-N 3.26Å; I351-F379 HydrophobicContact CD1-CD2 4.09Å; I351-F379 HydrophobicContact CD1-CE1 3.89Å; I351-F379 HydrophobicContact CD1-CE2 2.97Å; I351-F379 HydrophobicContact CD1-CZ 2.89Å; I351-F379 HydrophobicContact CG1-CD2 3.96Å; I351-F379 HydrophobicContact CG1-CE2 3.15Å; I351-F379 HydrophobicContact CG1-CZ 3.68Å; F379-D385 WeakPolarHBondContact CZ-O 3.41Å; F379-I386 VanDerWaalsContact CE1-C 3.49Å; F379-Y387 VanDerWaalsContact CE1-N 3.34Å; F379-F410 WeakPolarHBondContact CZ-O 3.48Å
380	K	46.9	Very low	62.6	Low	172 Å²	172	78.5 Å²	78.5	75%	0.748	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-75	141.4	165.9	-74.9	-169.2	173.1	-171.7	0	109.2	D382	K380-D382 PolarHBondContact O-N 2.89Å
381	V	45.4	Very low	60.6	Low	135 Å²	135	85.5 Å²	85.5	82%	0.818	43%	0.431	S	S	*	.	S	Bend	trans	-69.1	13.8	-174.9	-174.9	0	0	0	0	113	N383	V381-N383 PolarHBondContact O-N 2.86Å
382	D	43.2	Very low	58.8	Low	130 Å²	130	95.1 Å²	95.1	70%	0.695	48%	0.476	S	S	*	.	S	Bend	trans	-82.9	64.1	-178.8	-60.7	-35.9	0	0	0	110.4	K380 E384	K380-D382 PolarHBondContact O-N 2.89Å; D382-E384 PolarHBondContact O-N 3.12Å
383	N	45.2	Very low	57.7	Low	166 Å²	166	94.6 Å²	94.6	89%	0.888	47%	0.472	S	S	*	.	S	Bend	trans	48.9	14.3	163.8	-78.5	-15.4	0	0	0	120	V381	V381-N383 PolarHBondContact O-N 2.86Å
384	E	53.2	Low	57.6	Low	136 Å²	136	103.2 Å²	103.2	64%	0.636	51%	0.51	S	S	*	.			trans	-130.7	117.2	173.4	-64.2	-170.9	-177	0	0	111.5	D382 I386	D382-E384 PolarHBondContact O-N 3.12Å; E384-I386 PolarHBondContact O-N 3.07Å
385	D	62	Low	58.4	Low	135 Å²	135	103.9 Å²	103.9	72%	0.722	51%	0.507	S	S	*	.	S	Bend	trans	-68.4	24.9	177.4	-61.5	-40.1	0	0	0	113.8	F379 S411	F379-D385 WeakPolarHBondContact CZ-O 3.41Å; D385-S411 VanDerWaalsContact O-CB 3.28Å; D385-S411 WeakPolarHBondContact O-CB 3.48Å
386	I	63.4	Low	60	Low	72 Å²	72	102.5 Å²	102.5	37%	0.369	50%	0.5	S	S	.	.			trans	-133.9	126.9	-163.2	-60.7	178.4	0	0	0	110.7	F379 E384 K409	F379-I386 VanDerWaalsContact CE1-C 3.49Å; E384-I386 PolarHBondContact O-N 3.07Å; I386-K409 HydrophobicContact CG2-CB 3.72Å; I386-K409 HydrophobicContact CG2-CD 3.7Å; I386-K409 HydrophobicContact CG2-CG 3.53Å
387	Y	67.4	Low	61.5	Low	65 Å²	65	104.2 Å²	104.2	26%	0.255	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.1	179.6	171.5	-99.5	0	0	0	108.7	F379 N408 K409 F410	F379-Y387 VanDerWaalsContact CE1-N 3.34Å; Y387-N408 VanDerWaalsContact O-O 3.06Å; Y387-K409 WeakPolarHBondContact O-CA 3.37Å; Y387-F410 HydrophobicContact CD1-CB 4.45Å; Y387-F410 HydrophobicContact CD1-CD2 4.19Å; Y387-F410 PolarHBondContact N-O 3.49Å; Y387-F410 PolarHBondContact O-N 3.13Å
388	E	59.8	Low	63.1	Low	112 Å²	112	103.3 Å²	103.3	52%	0.523	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.7	174	-65	-173.2	174.4	0	0	110.3	K409	E388-K409 HydrophobicContact CG-CG 4.07Å; E388-K409 WeakPolarHBondContact OE1-CE 3.48Å; E388-K409 IonicContact OE1-NZ 3.3Å; E388-K409 PolarHBondContact OE1-NZ 3.35Å
389	S	57.8	Low	64.9	Low	13 Å²	13	100.2 Å²	100.2	9%	0.091	49%	0.488	C	S	.	.			trans	-78.4	135.4	175.3	179.4	0	0	0	0	111.6	H391 I393 N408	S389-H391 PolarHBondContact OG-O 2.9Å; S389-I393 WeakPolarHBondContact OG-CD1 3.48Å; S389-N408 WeakPolarHBondContact CB-ND2 3.31Å; S389-N408 PolarHBondContact N-O 2.99Å; S389-N408 PolarHBondContact O-ND2 3.08Å
390	K	54	Low	66.3	Low	198 Å²	198	98.8 Å²	98.8	86%	0.861	48%	0.482	S	S	*	.			trans	-91.4	-7.3	177.5	-64.6	-175.1	178.9	-178.6	0	114.8
391	H	55.1	Low	68.7	Low	147 Å²	147	90.6 Å²	90.6	68%	0.681	45%	0.446	S	S	*	.	S	Bend	trans	-116.8	150	-176.5	-61.1	85.4	0	0	0	111.6	S389 I393	S389-H391 PolarHBondContact OG-O 2.9Å; H391-I393 PolarHBondContact O-N 3.06Å
392	E	55.2	Low	71.1	Confident	209 Å²	209	86 Å²	86	98%	0.977	42%	0.419	S	S	*	.			trans	-64.6	100.6	170.1	-77.6	-173.3	167.9	0	0	110
393	I	60.1	Low	73.5	Confident	48 Å²	48	81 Å²	81	25%	0.246	39%	0.392	C	S	.	.			trans	-96.7	130.7	174.9	-63.3	170.2	0	0	0	107.6	L375 S389 H391 L395	L375-I393 HydrophobicContact CD2-CG2 4.31Å; S389-I393 WeakPolarHBondContact OG-CD1 3.48Å; H391-I393 PolarHBondContact O-N 3.06Å; I393-L395 HydrophobicContact CB-CD2 4.21Å; I393-L395 HydrophobicContact CG2-CD2 3.82Å; I393-L395 PolarHBondContact O-N 2.96Å
394	K	70.8	Confident	75.7	Confident	183 Å²	183	73.1 Å²	73.1	80%	0.796	35%	0.35	S	S	*	.			trans	-66.3	100.2	167	-75.9	-176.1	179.5	177.6	0	108.5
395	L	79.6	Confident	77.5	Confident	42 Å²	42	68.5 Å²	68.5	22%	0.22	33%	0.329	C	S	.	.			trans	-83.3	143.4	-178.1	-64.3	175.7	0	0	0	111.7	I393 V397 T400 F410	I393-L395 HydrophobicContact CB-CD2 4.21Å; I393-L395 HydrophobicContact CG2-CD2 3.82Å; I393-L395 PolarHBondContact O-N 2.96Å; L395-V397 PolarHBondContact O-N 3.14Å; L395-T400 HydrophobicContact CD1-CG2 4.46Å; L395-F410 HydrophobicContact CD1-CZ 4.08Å; L395-F410 HydrophobicContact CD2-CE1 4.13Å; L395-F410 HydrophobicContact CD2-CZ 3.56Å; L395-F410 HydrophobicContact CG-CZ 4.49Å
396	P	90.7	Very high	78.7	Confident	20 Å²	20	71.7 Å²	71.7	13%	0.13	33%	0.331	C	S	.	.			trans	-75.3	70.8	169.7	34	-35.6	0	0	0	109.8	D354 K398 W399 T400	D354-P396 VanDerWaalsContact OD1-CG 3.26Å; D354-P396 WeakPolarHBondContact OD1-CG 3.46Å; P396-K398 PolarHBondContact O-N 3.46Å; P396-W399 HydrophobicContact CB-CE3 4.17Å; P396-W399 PolarHBondContact O-N 3.38Å; P396-T400 PolarHBondContact O-N 3.31Å; P396-T400 PolarHBondContact O-OG1 3.09Å; P396-T400 VanDerWaalsContact O-OG1 3.07Å
397	V	93.4	Very high	79.7	Confident	37 Å²	37	71.1 Å²	71.1	22%	0.224	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-37.8	-167.9	171.6	0	0	0	0	114.7	L395 W399 T400 I405 I443	L395-V397 PolarHBondContact O-N 3.14Å; V397-W399 VanDerWaalsContact C-N 3.29Å; V397-W399 PolarHBondContact O-N 3.32Å; V397-T400 PolarHBondContact O-N 3.11Å; V397-I405 HydrophobicContact CG1-CD1 4.21Å; V397-I443 HydrophobicContact CG1-CD1 3.94Å; V397-I443 HydrophobicContact CG1-CG1 3.81Å
398	K	97	Very high	80.4	Confident	31 Å²	31	70.1 Å²	70.1	14%	0.135	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18	-177.1	-60.4	-171	168	-161.7	0	114.7	P396 M432 P433 Y434 M437 V442	P396-K398 PolarHBondContact O-N 3.46Å; K398-M432 HydrophobicContact CD-SD 4.01Å; K398-P433 VanDerWaalsContact CD-O 3.28Å; K398-P433 WeakPolarHBondContact CD-O 3.48Å; K398-P433 PolarHBondContact NZ-O 2.84Å; K398-P433 VanDerWaalsContact NZ-O 3.08Å; K398-Y434 HydrophobicContact CB-CD2 4.28Å; K398-Y434 PolarHBondContact NZ-O 3.39Å; K398-M437 WeakPolarHBondContact CE-O 3.46Å; K398-M437 PolarHBondContact NZ-O 3.1Å; K398-V442 HydrophobicContact CG-CG2 4.32Å
399	W	97.6	Very high	81.6	Confident	18 Å²	18	68.1 Å²	68.1	7%	0.068	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-21.6	174.9	-70	-101.1	0	0	0	112	A356 P396 V397 W417 S418 I421 E425 M432 P433	A356-W399 HydrophobicContact CB-CD2 4.38Å; A356-W399 HydrophobicContact CB-CG 4.12Å; P396-W399 HydrophobicContact CB-CE3 4.17Å; P396-W399 PolarHBondContact O-N 3.38Å; V397-W399 VanDerWaalsContact C-N 3.29Å; V397-W399 PolarHBondContact O-N 3.32Å; W399-W417 VanDerWaalsContact O-CD1 3.28Å; W399-S418 PolarHBondContact O-OG 3.11Å; W399-S418 VanDerWaalsContact O-OG 3.06Å; W399-I421 HydrophobicContact CD2-CG2 4.34Å; W399-I421 HydrophobicContact CG-CB 4.48Å; W399-I421 HydrophobicContact CG-CG2 3.89Å; W399-E425 WeakPolarHBondContact CZ2-OE1 3.44Å; W399-E425 VanDerWaalsContact NE1-CD 3.3Å; W399-E425 PolarHBondContact NE1-OE2 2.88Å; W399-M432 HydrophobicContact CH2-CE 4.18Å; W399-M432 HydrophobicContact CH2-SD 3.74Å; W399-M432 HydrophobicContact CZ3-SD 4.36Å; W399-P433 HydrophobicContact CH2-CG 4.37Å; W399-P433 HydrophobicContact CZ2-CG 3.78Å
400	T	95.7	Very high	83.1	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.031	32%	0.315	C	S	.	.	S	Bend	trans	-76.6	136.5	-173.7	-47.9	0	0	0	0	112.3	L395 P396 V397 A404 I405 F410	L395-T400 HydrophobicContact CD1-CG2 4.46Å; P396-T400 PolarHBondContact O-N 3.31Å; P396-T400 PolarHBondContact O-OG1 3.09Å; P396-T400 VanDerWaalsContact O-OG1 3.07Å; V397-T400 PolarHBondContact O-N 3.11Å; T400-A404 HydrophobicContact CG2-CB 3.66Å; T400-I405 HydrophobicContact CG2-CD1 4.48Å; T400-I405 HydrophobicContact CG2-CG1 3.66Å; T400-I405 WeakPolarHBondContact O-CD1 3.29Å; T400-F410 HydrophobicContact CG2-CE1 4.25Å
401	A	96.7	Very high	85	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	28%	0.279	C	S	.	.			trans	-63.5	148.5	176.8	0	0	0	0	0	112.6	E403 A404 I405 W417	A401-E403 VanDerWaalsContact C-N 3.31Å; A401-E403 WeakPolarHBondContact CB-OE1 3.36Å; A401-E403 WeakPolarHBondContact CB-OE2 3.41Å; A401-E403 PolarHBondContact O-N 3.2Å; A401-A404 HydrophobicContact CB-CB 4.36Å; A401-A404 PolarHBondContact O-N 3.43Å; A401-I405 WeakPolarHBondContact O-CG1 3.46Å; A401-I405 PolarHBondContact O-N 3.44Å; A401-W417 HydrophobicContact CB-CB 3.68Å; A401-W417 HydrophobicContact CB-CD2 4.07Å; A401-W417 HydrophobicContact CB-CG 3.65Å
402	P	94.9	Very high	86.9	Confident	39 Å²	39	53.3 Å²	53.3	25%	0.253	25%	0.254	S	S	.	.	H	α-helix	trans	-56.9	-39.6	-176.7	-25	33.1	0	0	0	114.1	I405 R406 W417 L446	P402-I405 PolarHBondContact O-N 3.03Å; P402-R406 WeakPolarHBondContact O-CB 3.49Å; P402-R406 PolarHBondContact O-N 3.44Å; P402-W417 HydrophobicContact CG-CE3 4.46Å; P402-W417 HydrophobicContact CG-CH2 3.51Å; P402-W417 HydrophobicContact CG-CZ2 3.87Å; P402-W417 HydrophobicContact CG-CZ3 3.85Å; P402-L446 HydrophobicContact CG-CB 4.41Å; P402-L446 HydrophobicContact CG-CD1 4.31Å
403	E	93.4	Very high	88.9	Confident	25 Å²	25	45.1 Å²	45.1	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-38.1	176.9	73.2	-73	176.5	0	0	112.3	A401 I405 R406 T407 P474 R477	A401-E403 VanDerWaalsContact C-N 3.31Å; A401-E403 WeakPolarHBondContact CB-OE1 3.36Å; A401-E403 WeakPolarHBondContact CB-OE2 3.41Å; A401-E403 PolarHBondContact O-N 3.2Å; E403-I405 VanDerWaalsContact C-N 3.34Å; E403-I405 PolarHBondContact O-N 3.05Å; E403-R406 PolarHBondContact O-N 3.46Å; E403-T407 PolarHBondContact O-N 3.15Å; E403-T407 PolarHBondContact O-OG1 3.37Å; E403-P474 HydrophobicContact CG-CG 3.94Å; E403-R477 IonicContact OE1-CZ 3.97Å; E403-R477 IonicContact OE1-NH1 3.67Å; E403-R477 PolarHBondContact OE1-NH1 3.39Å; E403-R477 IonicContact OE1-NH2 2.61Å; E403-R477 PolarHBondContact OE1-NH2 2.62Å; E403-R477 IonicContact OE2-CZ 2.71Å; E403-R477 IonicContact OE2-NH1 3.54Å; E403-R477 IonicContact OE2-NH2 3.72Å; E403-R477 PolarHBondContact OE2-NH2 2.83Å
404	A	91.7	Very high	90.6	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-35.8	176.6	0	0	0	0	0	111.5	T400 A401 N408 K409 F410	T400-A404 HydrophobicContact CG2-CB 3.66Å; A401-A404 HydrophobicContact CB-CB 4.36Å; A401-A404 PolarHBondContact O-N 3.43Å; A404-N408 WeakPolarHBondContact O-CA 3.38Å; A404-N408 PolarHBondContact O-N 3.5Å; A404-N408 VanDerWaalsContact O-N 3.13Å; A404-K409 VanDerWaalsContact CA-O 3.25Å; A404-K409 WeakPolarHBondContact CA-O 3.4Å; A404-K409 WeakPolarHBondContact CB-O 3.33Å; A404-F410 HydrophobicContact CB-CD1 3.98Å; A404-F410 HydrophobicContact CB-CE1 3.87Å; A404-F410 HydrophobicContact CB-CG 4.49Å; A404-F410 HydrophobicContact CB-CZ 4.27Å
405	I	90.6	Very high	91.9	Very high	39 Å²	39	34.2 Å²	34.2	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-49.3	173.9	-63.1	166.4	0	0	0	111.1	V397 T400 A401 P402 E403 I443	V397-I405 HydrophobicContact CG1-CD1 4.21Å; T400-I405 HydrophobicContact CG2-CD1 4.48Å; T400-I405 HydrophobicContact CG2-CG1 3.66Å; T400-I405 WeakPolarHBondContact O-CD1 3.29Å; A401-I405 WeakPolarHBondContact O-CG1 3.46Å; A401-I405 PolarHBondContact O-N 3.44Å; P402-I405 PolarHBondContact O-N 3.03Å; E403-I405 VanDerWaalsContact C-N 3.34Å; E403-I405 PolarHBondContact O-N 3.05Å; I405-I443 HydrophobicContact CD1-CG1 4.25Å; I405-I443 HydrophobicContact CG2-CD1 3.79Å; I405-I443 HydrophobicContact CG2-CG1 4.04Å
406	R	87.1	Confident	92.8	Very high	202 Å²	202	32.2 Å²	32.2	76%	0.762	16%	0.156	S	C	*	.	H	α-helix	trans	-74.2	-42.7	-170.1	-178.1	178.7	60.9	172.8	-2.7	113.1	P402 E403	P402-R406 WeakPolarHBondContact O-CB 3.49Å; P402-R406 PolarHBondContact O-N 3.44Å; E403-R406 PolarHBondContact O-N 3.46Å
407	T	84.6	Confident	93.2	Very high	59 Å²	59	31.3 Å²	31.3	36%	0.362	15%	0.15	S	C	.	.	H	α-helix	trans	-116.7	6.8	-171.5	56.9	0	0	0	0	112.9	E403 K409	E403-T407 PolarHBondContact O-N 3.15Å; E403-T407 PolarHBondContact O-OG1 3.37Å; T407-K409 PolarHBondContact O-N 2.97Å; T407-K409 VanDerWaalsContact O-N 3.12Å; T407-K409 WeakPolarHBondContact OG1-CB 3.25Å; T407-K409 WeakPolarHBondContact OG1-CD 3.29Å; T407-K409 WeakPolarHBondContact OG1-CG 3.44Å
408	N	83.3	Confident	93.5	Very high	44 Å²	44	29.9 Å²	29.9	24%	0.235	14%	0.141	C	C	.	.			trans	56.1	26.7	-177.3	-144.6	11.1	0	0	0	113.4	Y387 S389 A404 F410	Y387-N408 VanDerWaalsContact O-O 3.06Å; S389-N408 WeakPolarHBondContact CB-ND2 3.31Å; S389-N408 PolarHBondContact N-O 2.99Å; S389-N408 PolarHBondContact O-ND2 3.08Å; A404-N408 WeakPolarHBondContact O-CA 3.38Å; A404-N408 PolarHBondContact O-N 3.5Å; A404-N408 VanDerWaalsContact O-N 3.13Å; N408-F410 WeakPolarHBondContact OD1-CE2 3.3Å
409	K	85.2	Confident	93.6	Very high	70 Å²	70	28.4 Å²	28.4	30%	0.304	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105.4	-176	-76.8	-174.1	172.2	-160.8	0	110.1	I386 Y387 E388 A404 T407	I386-K409 HydrophobicContact CG2-CB 3.72Å; I386-K409 HydrophobicContact CG2-CD 3.7Å; I386-K409 HydrophobicContact CG2-CG 3.53Å; Y387-K409 WeakPolarHBondContact O-CA 3.37Å; E388-K409 HydrophobicContact CG-CG 4.07Å; E388-K409 WeakPolarHBondContact OE1-CE 3.48Å; E388-K409 IonicContact OE1-NZ 3.3Å; E388-K409 PolarHBondContact OE1-NZ 3.35Å; A404-K409 VanDerWaalsContact CA-O 3.25Å; A404-K409 WeakPolarHBondContact CA-O 3.4Å; A404-K409 WeakPolarHBondContact CB-O 3.33Å; T407-K409 PolarHBondContact O-N 2.97Å; T407-K409 VanDerWaalsContact O-N 3.12Å; T407-K409 WeakPolarHBondContact OG1-CB 3.25Å; T407-K409 WeakPolarHBondContact OG1-CD 3.29Å; T407-K409 WeakPolarHBondContact OG1-CG 3.44Å
410	F	89.3	Confident	93.6	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.2	176.4	-62.6	-92.2	0	0	0	110	I351 R353 F379 Y387 L395 T400 A404 N408	I351-F410 VanDerWaalsContact CD1-C 3.5Å; I351-F410 HydrophobicContact CD1-CB 4.14Å; I351-F410 WeakPolarHBondContact CD1-O 3.46Å; R353-F410 HydrophobicContact CB-CD1 4.24Å; R353-F410 HydrophobicContact CG-CB 4.26Å; R353-F410 HydrophobicContact CG-CD1 3.96Å; R353-F410 HydrophobicContact CG-CG 4.2Å; F379-F410 WeakPolarHBondContact CZ-O 3.48Å; Y387-F410 HydrophobicContact CD1-CB 4.45Å; Y387-F410 HydrophobicContact CD1-CD2 4.19Å; Y387-F410 PolarHBondContact N-O 3.49Å; Y387-F410 PolarHBondContact O-N 3.13Å; L395-F410 HydrophobicContact CD1-CZ 4.08Å; L395-F410 HydrophobicContact CD2-CE1 4.13Å; L395-F410 HydrophobicContact CD2-CZ 3.56Å; L395-F410 HydrophobicContact CG-CZ 4.49Å; T400-F410 HydrophobicContact CG2-CE1 4.25Å; A404-F410 HydrophobicContact CB-CD1 3.98Å; A404-F410 HydrophobicContact CB-CE1 3.87Å; A404-F410 HydrophobicContact CB-CG 4.49Å; A404-F410 HydrophobicContact CB-CZ 4.27Å; N408-F410 WeakPolarHBondContact OD1-CE2 3.3Å
411	S	92.9	Very high	93.8	Very high	15 Å²	15	27.3 Å²	27.3	11%	0.105	13%	0.13	C	C	.	.			trans	-137.3	167.7	174.9	67	0	0	0	0	110	D385 K413 S414 D415	D385-S411 VanDerWaalsContact O-CB 3.28Å; D385-S411 WeakPolarHBondContact O-CB 3.48Å; S411-K413 PolarHBondContact O-N 2.83Å; S411-K413 WeakPolarHBondContact OG-CB 3.46Å; S411-K413 PolarHBondContact OG-N 3.09Å; S411-S414 PolarHBondContact N-OG 3.03Å; S411-S414 WeakPolarHBondContact O-CB 3.44Å; S411-S414 PolarHBondContact O-N 3.11Å; S411-S414 PolarHBondContact O-OG 2.77Å; S411-S414 PolarHBondContact OG-N 3.18Å; S411-D415 PolarHBondContact O-N 3.16Å
412	I	95	Very high	93.9	Very high	29 Å²	29	27.2 Å²	27.2	15%	0.149	13%	0.13	C	C	.	.	H	α-helix	trans	-56.9	-31	168.3	-167.2	65.9	0	0	0	111.1	E346 S414 D415 V416 F480	E346-I412 HydrophobicContact CB-CD1 3.88Å; E346-I412 HydrophobicContact CB-CG1 3.84Å; E346-I412 HydrophobicContact CG-CD1 4.45Å; E346-I412 HydrophobicContact CG-CG1 3.85Å; I412-S414 VanDerWaalsContact C-N 3.28Å; I412-S414 PolarHBondContact O-N 3.13Å; I412-D415 HydrophobicContact CD1-CB 4.4Å; I412-D415 CarbonylContact O-C 3.39Å; I412-D415 WeakPolarHBondContact O-CA 3.49Å; I412-D415 WeakPolarHBondContact O-CB 3.36Å; I412-D415 PolarHBondContact O-N 3.03Å; I412-V416 WeakPolarHBondContact O-CG2 3.24Å; I412-V416 PolarHBondContact O-N 3.24Å; I412-F480 HydrophobicContact CD1-CD2 3.78Å; I412-F480 HydrophobicContact CD1-CE2 3.7Å; I412-F480 HydrophobicContact CG1-CD2 3.87Å; I412-F480 HydrophobicContact CG1-CE2 4Å
413	K	97.4	Very high	94	Very high	37 Å²	37	25.4 Å²	25.4	16%	0.161	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-26.6	175.2	-58.2	-60.7	-176.2	176.1	0	113.1	S411 V416 W417 P474 R477 P478	S411-K413 PolarHBondContact O-N 2.83Å; S411-K413 WeakPolarHBondContact OG-CB 3.46Å; S411-K413 PolarHBondContact OG-N 3.09Å; K413-V416 PolarHBondContact O-N 3.12Å; K413-W417 PolarHBondContact O-N 3.39Å; K413-P474 HydrophobicContact CB-CB 3.89Å; K413-P474 WeakPolarHBondContact CB-O 3.4Å; K413-P474 WeakPolarHBondContact CD-O 3.28Å; K413-P474 VanDerWaalsContact CG-O 3.32Å; K413-P474 WeakPolarHBondContact CG-O 3.22Å; K413-R477 HydrophobicContact CD-CB 4.28Å; K413-R477 PolarHBondContact NZ-O 3.19Å; K413-R477 WeakPolarHBondContact O-CD 3.18Å; K413-R477 PolarHBondContact O-NH1 3.19Å; K413-P478 PolarHBondContact NZ-O 3.17Å
414	S	96.8	Very high	94.3	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-73.9	-29.5	170.1	71.7	0	0	0	0	112.6	S411 I412 W417 S418	S411-S414 PolarHBondContact N-OG 3.03Å; S411-S414 WeakPolarHBondContact O-CB 3.44Å; S411-S414 PolarHBondContact O-N 3.11Å; S411-S414 PolarHBondContact O-OG 2.77Å; S411-S414 PolarHBondContact OG-N 3.18Å; I412-S414 VanDerWaalsContact C-N 3.28Å; I412-S414 PolarHBondContact O-N 3.13Å; S414-W417 WeakPolarHBondContact O-CB 3.1Å; S414-W417 PolarHBondContact O-N 3.32Å; S414-S418 PolarHBondContact O-N 3.2Å; S414-S418 PolarHBondContact O-OG 3.09Å
415	D	97.6	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-71.1	-35.5	169.3	-78	-14.4	0	0	0	111.3	M342 I351 H352 R353 S411 I412 W417 S418 F419 F480	M342-D415 HydrophobicContact CE-CB 3.85Å; I351-D415 WeakPolarHBondContact CA-OD2 3.48Å; I351-D415 WeakPolarHBondContact CG2-OD2 3.38Å; H352-D415 WeakPolarHBondContact CB-OD2 3.42Å; H352-D415 PolarHBondContact N-OD2 3.07Å; R353-D415 WeakPolarHBondContact CA-OD1 3.33Å; R353-D415 PolarHBondContact N-OD1 2.68Å; S411-D415 PolarHBondContact O-N 3.16Å; I412-D415 HydrophobicContact CD1-CB 4.4Å; I412-D415 CarbonylContact O-C 3.39Å; I412-D415 WeakPolarHBondContact O-CA 3.49Å; I412-D415 WeakPolarHBondContact O-CB 3.36Å; I412-D415 PolarHBondContact O-N 3.03Å; D415-W417 VanDerWaalsContact C-N 3.29Å; D415-W417 PolarHBondContact O-N 2.91Å; D415-S418 CarbonylContact O-C 3.6Å; D415-S418 WeakPolarHBondContact O-CA 3.47Å; D415-S418 WeakPolarHBondContact O-CB 3.39Å; D415-S418 PolarHBondContact O-N 3.47Å; D415-S418 VanDerWaalsContact O-N 3.08Å; D415-F419 PolarHBondContact O-N 3.14Å; D415-F480 HydrophobicContact CB-CE2 3.89Å; D415-F480 HydrophobicContact CB-CZ 4.06Å
416	V	98.8	Very high	95	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-40.1	173	172.8	0	0	0	0	111.3	I412 K413 S418 F419 G420 C469 R477 P478 F480 L483	I412-V416 WeakPolarHBondContact O-CG2 3.24Å; I412-V416 PolarHBondContact O-N 3.24Å; K413-V416 PolarHBondContact O-N 3.12Å; V416-S418 VanDerWaalsContact C-N 3.34Å; V416-S418 PolarHBondContact O-N 2.96Å; V416-F419 WeakPolarHBondContact O-CB 3.42Å; V416-F419 PolarHBondContact O-N 3.11Å; V416-G420 PolarHBondContact O-N 3.39Å; V416-G420 VanDerWaalsContact O-N 3.09Å; V416-C469 HydrophobicContact CG1-CB 4.17Å; V416-C469 WeakPolarHBondContact O-CB 3.47Å; V416-R477 HydrophobicContact CB-CB 4.45Å; V416-R477 HydrophobicContact CG1-CB 3.84Å; V416-P478 HydrophobicContact CG1-CG 4.31Å; V416-P478 WeakPolarHBondContact CG2-O 3.34Å; V416-F480 HydrophobicContact CG2-CD2 3.88Å; V416-F480 HydrophobicContact CG2-CE2 3.61Å; V416-F480 HydrophobicContact CG2-CG 4.43Å; V416-F480 HydrophobicContact CG2-CZ 3.96Å; V416-L483 HydrophobicContact CG1-CD1 4.06Å
417	W	98.7	Very high	95.5	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-59.5	-46.7	171.7	177.2	-74.4	0	0	0	111.8	W399 A401 P402 K413 S414 D415 F419 G420 I421 L446 R451 W470	W399-W417 VanDerWaalsContact O-CD1 3.28Å; A401-W417 HydrophobicContact CB-CB 3.68Å; A401-W417 HydrophobicContact CB-CD2 4.07Å; A401-W417 HydrophobicContact CB-CG 3.65Å; P402-W417 HydrophobicContact CG-CE3 4.46Å; P402-W417 HydrophobicContact CG-CH2 3.51Å; P402-W417 HydrophobicContact CG-CZ2 3.87Å; P402-W417 HydrophobicContact CG-CZ3 3.85Å; K413-W417 PolarHBondContact O-N 3.39Å; S414-W417 WeakPolarHBondContact O-CB 3.1Å; S414-W417 PolarHBondContact O-N 3.32Å; D415-W417 VanDerWaalsContact C-N 3.29Å; D415-W417 PolarHBondContact O-N 2.91Å; W417-F419 VanDerWaalsContact C-N 3.26Å; W417-F419 PolarHBondContact O-N 2.97Å; W417-G420 PolarHBondContact O-N 3.13Å; W417-G420 VanDerWaalsContact O-N 3.09Å; W417-I421 PolarHBondContact O-N 2.87Å; W417-L446 HydrophobicContact CH2-CD2 3.98Å; W417-L446 HydrophobicContact CZ2-CD1 4.17Å; W417-L446 HydrophobicContact CZ2-CD2 3.72Å; W417-R451 VanDerWaalsContact CH2-CZ 3.5Å; W417-W470 AromaticContact CD2-CD1 3.8Å; W417-W470 AromaticContact CE2-CD1 3.9Å; W417-W470 HydrophobicContact CE3-CB 4.17Å; W417-W470 HydrophobicContact CH2-CB 4.23Å; W417-W470 HydrophobicContact CZ3-CB 3.96Å; W417-W470 WeakPolarHBondContact CZ3-O 3.46Å; W417-W470 PolarHBondContact O-NE1 3.38Å
418	S	98.6	Very high	96.1	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.042	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-37.1	178.5	-52.5	0	0	0	0	111.2	L355 W399 S414 D415 V416 I421 L422	L355-S418 WeakPolarHBondContact O-CB 3.45Å; W399-S418 PolarHBondContact O-OG 3.11Å; W399-S418 VanDerWaalsContact O-OG 3.06Å; S414-S418 PolarHBondContact O-N 3.2Å; S414-S418 PolarHBondContact O-OG 3.09Å; D415-S418 CarbonylContact O-C 3.6Å; D415-S418 WeakPolarHBondContact O-CA 3.47Å; D415-S418 WeakPolarHBondContact O-CB 3.39Å; D415-S418 PolarHBondContact O-N 3.47Å; D415-S418 VanDerWaalsContact O-N 3.08Å; V416-S418 VanDerWaalsContact C-N 3.34Å; V416-S418 PolarHBondContact O-N 2.96Å; S418-I421 WeakPolarHBondContact O-CB 3.39Å; S418-I421 PolarHBondContact O-N 3.39Å; S418-I421 VanDerWaalsContact O-N 3.15Å; S418-L422 PolarHBondContact O-N 3.05Å
419	F	98.9	Very high	96.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-42.5	172.5	-176.5	-106.8	0	0	0	112.1	A335 V338 A339 L355 D415 V416 W417 I421 L422 L423 F480 L483 L487	A335-F419 HydrophobicContact CB-CZ 4.45Å; V338-F419 HydrophobicContact CB-CE2 4.17Å; V338-F419 HydrophobicContact CG1-CD2 4.07Å; V338-F419 HydrophobicContact CG1-CE2 3.9Å; A339-F419 HydrophobicContact CB-CE2 4.16Å; A339-F419 HydrophobicContact CB-CZ 3.8Å; L355-F419 HydrophobicContact CD2-CB 3.8Å; L355-F419 HydrophobicContact CD2-CD2 4.05Å; L355-F419 HydrophobicContact CD2-CG 4.43Å; D415-F419 PolarHBondContact O-N 3.14Å; V416-F419 WeakPolarHBondContact O-CB 3.42Å; V416-F419 PolarHBondContact O-N 3.11Å; W417-F419 VanDerWaalsContact C-N 3.26Å; W417-F419 PolarHBondContact O-N 2.97Å; F419-I421 VanDerWaalsContact C-N 3.26Å; F419-I421 PolarHBondContact O-N 2.89Å; F419-L422 HydrophobicContact CD2-CD2 4.14Å; F419-L422 HydrophobicContact CE2-CD2 4.47Å; F419-L422 CarbonylContact O-C 3.58Å; F419-L422 WeakPolarHBondContact O-CA 3.44Å; F419-L422 WeakPolarHBondContact O-CB 3.15Å; F419-L422 PolarHBondContact O-N 3.05Å; F419-L423 HydrophobicContact CD1-CD1 4.16Å; F419-L423 HydrophobicContact CD1-CD2 4.47Å; F419-L423 HydrophobicContact CD1-CG 4.15Å; F419-L423 HydrophobicContact CE1-CD1 3.83Å; F419-L423 HydrophobicContact CE1-CD2 3.81Å; F419-L423 HydrophobicContact CE1-CG 3.9Å; F419-L423 HydrophobicContact CE2-CD2 4.22Å; F419-L423 HydrophobicContact CZ-CD2 3.66Å; F419-L423 HydrophobicContact CZ-CG 4.22Å; F419-L423 WeakPolarHBondContact O-CG 3.28Å; F419-L423 PolarHBondContact O-N 2.87Å; F419-F480 HydrophobicContact CB-CE1 3.67Å; F419-F480 HydrophobicContact CB-CZ 4.01Å; F419-F480 HydrophobicContact CD1-CE1 4.29Å; F419-F480 AromaticContact CD2-CE1 3.98Å; F419-F480 HydrophobicContact CD2-CE1 3.98Å; F419-F480 AromaticContact CG-CE1 3.73Å; F419-F480 HydrophobicContact CG-CE1 3.73Å; F419-L483 HydrophobicContact CD1-CD1 3.72Å; F419-L483 HydrophobicContact CE1-CB 4.31Å; F419-L483 HydrophobicContact CE1-CD1 3.97Å; F419-L483 HydrophobicContact CE1-CD2 4.35Å; F419-L483 HydrophobicContact CE1-CG 4.44Å; F419-L487 HydrophobicContact CE1-CD1 4.06Å; F419-L487 HydrophobicContact CZ-CD1 3.71Å
420	G	98.8	Very high	97.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.2	-39.5	172.9	0	0	0	0	0	112.8	V416 W417 L423 Y424 W470	V416-G420 PolarHBondContact O-N 3.39Å; V416-G420 VanDerWaalsContact O-N 3.09Å; W417-G420 PolarHBondContact O-N 3.13Å; W417-G420 VanDerWaalsContact O-N 3.09Å; G420-L423 PolarHBondContact O-N 3.42Å; G420-Y424 PolarHBondContact O-N 2.75Å; G420-W470 VanDerWaalsContact C-CZ2 3.44Å; G420-W470 WeakPolarHBondContact O-CZ2 3.49Å
421	I	98.8	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.3	-39.6	174.1	-57.3	-68.7	0	0	0	111.2	W399 W417 S418 F419 L423 Y424 E425 P433 Y434 L452 W470	W399-I421 HydrophobicContact CD2-CG2 4.34Å; W399-I421 HydrophobicContact CG-CB 4.48Å; W399-I421 HydrophobicContact CG-CG2 3.89Å; W417-I421 PolarHBondContact O-N 2.87Å; S418-I421 WeakPolarHBondContact O-CB 3.39Å; S418-I421 PolarHBondContact O-N 3.39Å; S418-I421 VanDerWaalsContact O-N 3.15Å; F419-I421 VanDerWaalsContact C-N 3.26Å; F419-I421 PolarHBondContact O-N 2.89Å; I421-L423 VanDerWaalsContact C-N 3.34Å; I421-L423 PolarHBondContact O-N 3.49Å; I421-Y424 WeakPolarHBondContact O-CA 3.46Å; I421-Y424 VanDerWaalsContact O-CB 3.29Å; I421-Y424 WeakPolarHBondContact O-CB 3.34Å; I421-Y424 PolarHBondContact O-N 2.87Å; I421-Y424 VanDerWaalsContact O-N 3.14Å; I421-E425 PolarHBondContact O-N 3.07Å; I421-P433 HydrophobicContact CG2-CB 3.9Å; I421-P433 HydrophobicContact CG2-CG 3.47Å; I421-P433 VanDerWaalsContact CG2-CG 3.47Å; I421-Y434 HydrophobicContact CD1-CE2 3.96Å; I421-L452 HydrophobicContact CD1-CD1 4.18Å; I421-W470 HydrophobicContact CD1-CZ2 3.67Å; I421-W470 HydrophobicContact CG1-CZ2 4.39Å
422	L	98.8	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.6	-40.7	172.8	169.9	63.9	0	0	0	112	L314 V338 L355 A357 V360 S418 F419 Y424 E425 I426	L314-L422 HydrophobicContact CD2-CD1 4.26Å; V338-L422 HydrophobicContact CB-CD2 4.31Å; V338-L422 HydrophobicContact CG1-CD2 3.62Å; V338-L422 HydrophobicContact CG2-CD2 4.33Å; L355-L422 HydrophobicContact CD1-CD2 4.19Å; L355-L422 HydrophobicContact CG-CD2 4.21Å; A357-L422 HydrophobicContact CB-CD1 3.77Å; V360-L422 HydrophobicContact CG2-CD1 4.49Å; V360-L422 HydrophobicContact CG2-CD2 4.12Å; S418-L422 PolarHBondContact O-N 3.05Å; F419-L422 HydrophobicContact CD2-CD2 4.14Å; F419-L422 HydrophobicContact CE2-CD2 4.47Å; F419-L422 CarbonylContact O-C 3.58Å; F419-L422 WeakPolarHBondContact O-CA 3.44Å; F419-L422 WeakPolarHBondContact O-CB 3.15Å; F419-L422 PolarHBondContact O-N 3.05Å; L422-Y424 VanDerWaalsContact C-N 3.26Å; L422-Y424 PolarHBondContact O-N 3.3Å; L422-E425 WeakPolarHBondContact O-CB 3.39Å; L422-E425 PolarHBondContact O-N 2.91Å; L422-E425 VanDerWaalsContact O-N 3.1Å; L422-I426 HydrophobicContact CD1-CD1 4.06Å; L422-I426 HydrophobicContact CD1-CG1 4.13Å; L422-I426 HydrophobicContact CG-CD1 3.91Å; L422-I426 HydrophobicContact CG-CG1 4.44Å; L422-I426 WeakPolarHBondContact O-CG1 3.31Å; L422-I426 PolarHBondContact O-N 3.24Å
423	L	98.8	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.6	-39.8	174.2	-64.2	-176	0	0	0	111.3	A335 F419 G420 I421 I426 I427 F462 I465 M466	A335-L423 HydrophobicContact CB-CD2 3.42Å; A335-L423 VanDerWaalsContact CB-CD2 3.42Å; F419-L423 HydrophobicContact CD1-CD1 4.16Å; F419-L423 HydrophobicContact CD1-CD2 4.47Å; F419-L423 HydrophobicContact CD1-CG 4.15Å; F419-L423 HydrophobicContact CE1-CD1 3.83Å; F419-L423 HydrophobicContact CE1-CD2 3.81Å; F419-L423 HydrophobicContact CE1-CG 3.9Å; F419-L423 HydrophobicContact CE2-CD2 4.22Å; F419-L423 HydrophobicContact CZ-CD2 3.66Å; F419-L423 HydrophobicContact CZ-CG 4.22Å; F419-L423 WeakPolarHBondContact O-CG 3.28Å; F419-L423 PolarHBondContact O-N 2.87Å; G420-L423 PolarHBondContact O-N 3.42Å; I421-L423 VanDerWaalsContact C-N 3.34Å; I421-L423 PolarHBondContact O-N 3.49Å; L423-I426 HydrophobicContact CD2-CD1 4.47Å; L423-I426 PolarHBondContact O-N 3.39Å; L423-I427 WeakPolarHBondContact O-CG2 3.47Å; L423-I427 PolarHBondContact O-N 2.99Å; L423-F462 HydrophobicContact CB-CE1 4.02Å; L423-F462 HydrophobicContact CB-CZ 4.27Å; L423-F462 HydrophobicContact CD2-CE1 4.43Å; L423-F462 HydrophobicContact CD2-CE2 4.47Å; L423-F462 HydrophobicContact CD2-CZ 3.82Å; L423-F462 HydrophobicContact CG-CZ 4.49Å; L423-I465 HydrophobicContact CD1-CB 4.35Å; L423-I465 HydrophobicContact CD1-CG2 3.68Å; L423-M466 HydrophobicContact CB-CE 3.83Å; L423-M466 HydrophobicContact CB-CG 3.88Å; L423-M466 HydrophobicContact CB-SD 4.37Å; L423-M466 HydrophobicContact CD1-CG 4.11Å; L423-M466 WeakPolarHBondContact O-CE 3.47Å
424	Y	98.6	Very high	97.9	Very high	32 Å²	32	16.8 Å²	16.8	13%	0.125	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-46.5	172.2	179.3	-84	0	0	0	111.4	G420 I421 L422 I426 I427 T428 P433 L452 P455	G420-Y424 PolarHBondContact O-N 2.75Å; I421-Y424 WeakPolarHBondContact O-CA 3.46Å; I421-Y424 VanDerWaalsContact O-CB 3.29Å; I421-Y424 WeakPolarHBondContact O-CB 3.34Å; I421-Y424 PolarHBondContact O-N 2.87Å; I421-Y424 VanDerWaalsContact O-N 3.14Å; L422-Y424 VanDerWaalsContact C-N 3.26Å; L422-Y424 PolarHBondContact O-N 3.3Å; Y424-I426 VanDerWaalsContact C-N 3.34Å; Y424-I426 PolarHBondContact O-N 2.85Å; Y424-I427 WeakPolarHBondContact O-CG2 3.37Å; Y424-T428 HydrophobicContact CD1-CG2 4.28Å; Y424-T428 HydrophobicContact CD2-CG2 4.36Å; Y424-T428 HydrophobicContact CE1-CG2 3.99Å; Y424-T428 HydrophobicContact CE2-CG2 4.09Å; Y424-T428 HydrophobicContact CG-CG2 4.45Å; Y424-T428 VanDerWaalsContact O-CB 3.31Å; Y424-T428 WeakPolarHBondContact O-CB 3.48Å; Y424-T428 VanDerWaalsContact O-CG2 3.29Å; Y424-T428 WeakPolarHBondContact O-CG2 3.18Å; Y424-T428 PolarHBondContact O-N 3.06Å; Y424-T428 VanDerWaalsContact O-N 3.1Å; Y424-T428 PolarHBondContact O-OG1 3.08Å; Y424-P433 HydrophobicContact CD1-CG 4.47Å; Y424-L452 HydrophobicContact CD1-CD1 4.07Å; Y424-L452 HydrophobicContact CD2-CB 4.13Å; Y424-L452 HydrophobicContact CD2-CD1 3.82Å; Y424-L452 HydrophobicContact CE1-CD1 4.24Å; Y424-L452 HydrophobicContact CE2-CB 4.05Å; Y424-L452 HydrophobicContact CE2-CD1 3.97Å; Y424-L452 HydrophobicContact CE2-CD2 4.37Å; Y424-L452 HydrophobicContact CE2-CG 4.34Å; Y424-L452 HydrophobicContact CG-CD1 3.87Å; Y424-P455 HydrophobicContact CD2-CG 3.85Å; Y424-P455 HydrophobicContact CE2-CG 3.72Å
425	E	98.6	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.2	-45.3	175.5	-66.4	-178.6	101	0	0	111.3	A357 W399 I421 L422 T428 Y429 G430 P433	A357-E425 HydrophobicContact CB-CB 4Å; A357-E425 HydrophobicContact CB-CG 4.43Å; A357-E425 PolarHBondContact N-OE2 3.25Å; W399-E425 WeakPolarHBondContact CZ2-OE1 3.44Å; W399-E425 VanDerWaalsContact NE1-CD 3.3Å; W399-E425 PolarHBondContact NE1-OE2 2.88Å; I421-E425 PolarHBondContact O-N 3.07Å; L422-E425 WeakPolarHBondContact O-CB 3.39Å; L422-E425 PolarHBondContact O-N 2.91Å; L422-E425 VanDerWaalsContact O-N 3.1Å; E425-T428 PolarHBondContact O-N 3.22Å; E425-T428 PolarHBondContact O-OG1 3.48Å; E425-Y429 PolarHBondContact O-N 3.28Å; E425-Y429 VanDerWaalsContact O-N 3.11Å; E425-G430 PolarHBondContact O-N 3.41Å; E425-P433 HydrophobicContact CG-CG 4.07Å
426	I	98.5	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-53.7	180	-69	163.6	0	0	0	111.4	L314 Q331 I334 A335 L422 L423 Y424 T428 Y429	L314-I426 HydrophobicContact CD2-CD1 4.47Å; L314-I426 HydrophobicContact CD2-CG1 4.1Å; Q331-I426 HydrophobicContact CB-CG2 3.66Å; Q331-I426 HydrophobicContact CG-CG2 3.89Å; Q331-I426 PolarHBondContact NE2-O 3.34Å; I334-I426 HydrophobicContact CB-CD1 4.49Å; I334-I426 HydrophobicContact CG2-CD1 3.73Å; I334-I426 HydrophobicContact CG2-CG1 4.12Å; A335-I426 HydrophobicContact CB-CD1 4.27Å; L422-I426 HydrophobicContact CD1-CD1 4.06Å; L422-I426 HydrophobicContact CD1-CG1 4.13Å; L422-I426 HydrophobicContact CG-CD1 3.91Å; L422-I426 HydrophobicContact CG-CG1 4.44Å; L422-I426 WeakPolarHBondContact O-CG1 3.31Å; L422-I426 PolarHBondContact O-N 3.24Å; L423-I426 HydrophobicContact CD2-CD1 4.47Å; L423-I426 PolarHBondContact O-N 3.39Å; Y424-I426 VanDerWaalsContact C-N 3.34Å; Y424-I426 PolarHBondContact O-N 2.85Å; I426-T428 PolarHBondContact O-N 3.48Å; I426-Y429 PolarHBondContact O-N 2.8Å
427	I	98	Very high	97.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-21	-175.2	-161.9	57	0	0	0	112.6	L328 Q331 L423 Y424 P455 C458 F462 M466	L328-I427 HydrophobicContact CD1-CD1 3.95Å; Q331-I427 VanDerWaalsContact OE1-CD1 3.26Å; L423-I427 WeakPolarHBondContact O-CG2 3.47Å; L423-I427 PolarHBondContact O-N 2.99Å; Y424-I427 WeakPolarHBondContact O-CG2 3.37Å; I427-P455 HydrophobicContact CG2-CB 4.33Å; I427-P455 HydrophobicContact CG2-CG 3.84Å; I427-C458 HydrophobicContact CG1-CB 3.72Å; I427-C458 HydrophobicContact CG2-CB 4.38Å; I427-F462 HydrophobicContact CB-CD1 4.26Å; I427-F462 HydrophobicContact CB-CE1 3.97Å; I427-F462 HydrophobicContact CD1-CD1 4.49Å; I427-F462 HydrophobicContact CG1-CD1 4.31Å; I427-F462 HydrophobicContact CG1-CE1 4.45Å; I427-M466 HydrophobicContact CB-CE 4.27Å; I427-M466 HydrophobicContact CG2-CE 3.6Å
428	T	97.1	Very high	97.3	Very high	11 Å²	11	31.3 Å²	31.3	7%	0.067	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.8	179.7	63.2	0	0	0	0	114.1	Y424 E425 I426 K431 P455	Y424-T428 HydrophobicContact CD1-CG2 4.28Å; Y424-T428 HydrophobicContact CD2-CG2 4.36Å; Y424-T428 HydrophobicContact CE1-CG2 3.99Å; Y424-T428 HydrophobicContact CE2-CG2 4.09Å; Y424-T428 HydrophobicContact CG-CG2 4.45Å; Y424-T428 VanDerWaalsContact O-CB 3.31Å; Y424-T428 WeakPolarHBondContact O-CB 3.48Å; Y424-T428 VanDerWaalsContact O-CG2 3.29Å; Y424-T428 WeakPolarHBondContact O-CG2 3.18Å; Y424-T428 PolarHBondContact O-N 3.06Å; Y424-T428 VanDerWaalsContact O-N 3.1Å; Y424-T428 PolarHBondContact O-OG1 3.08Å; E425-T428 PolarHBondContact O-N 3.22Å; E425-T428 PolarHBondContact O-OG1 3.48Å; I426-T428 PolarHBondContact O-N 3.48Å; T428-K431 WeakPolarHBondContact O-CG 3.5Å; T428-P455 HydrophobicContact CG2-CB 3.77Å; T428-P455 HydrophobicContact CG2-CG 3.65Å
429	Y	97.3	Very high	97	Very high	70 Å²	70	32.3 Å²	32.3	28%	0.275	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	46.3	-179	-55.7	-95	0	0	0	112.9	I326 E425 I426	I326-Y429 WeakPolarHBondContact O-CE1 3.48Å; I326-Y429 PolarHBondContact O-OH 3.39Å; E425-Y429 PolarHBondContact O-N 3.28Å; E425-Y429 VanDerWaalsContact O-N 3.11Å; I426-Y429 PolarHBondContact O-N 2.8Å
430	G	96	Very high	96.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	77.4	24.1	174.6	0	0	0	0	0	114.4	Q319 E425	Q319-G430 PolarHBondContact NE2-O 2.9Å; E425-G430 PolarHBondContact O-N 3.41Å
431	K	95.5	Very high	96.6	Very high	133 Å²	133	40 Å²	40	58%	0.578	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-65.6	140.5	174	-73.6	-179.6	-170.3	177.4	0	110.6	T428 P433	T428-K431 WeakPolarHBondContact O-CG 3.5Å; K431-P433 WeakPolarHBondContact O-CD 3.4Å
432	M	96.3	Very high	96.5	Very high	86 Å²	86	40 Å²	40	42%	0.424	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-57.4	120.4	173.3	178	58.5	60.3	0	0	110.6	K398 W399 S435	K398-M432 HydrophobicContact CD-SD 4.01Å; W399-M432 HydrophobicContact CH2-CE 4.18Å; W399-M432 HydrophobicContact CH2-SD 3.74Å; W399-M432 HydrophobicContact CZ3-SD 4.36Å; M432-S435 PolarHBondContact O-N 3.23Å
433	P	97.4	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	144.6	173.3	-25	34.9	0	0	0	111.2	K398 W399 I421 Y424 E425 K431 S435 L452	K398-P433 VanDerWaalsContact CD-O 3.28Å; K398-P433 WeakPolarHBondContact CD-O 3.48Å; K398-P433 PolarHBondContact NZ-O 2.84Å; K398-P433 VanDerWaalsContact NZ-O 3.08Å; W399-P433 HydrophobicContact CH2-CG 4.37Å; W399-P433 HydrophobicContact CZ2-CG 3.78Å; I421-P433 HydrophobicContact CG2-CB 3.9Å; I421-P433 HydrophobicContact CG2-CG 3.47Å; I421-P433 VanDerWaalsContact CG2-CG 3.47Å; Y424-P433 HydrophobicContact CD1-CG 4.47Å; E425-P433 HydrophobicContact CG-CG 4.07Å; K431-P433 WeakPolarHBondContact O-CD 3.4Å; P433-S435 PolarHBondContact O-N 3.09Å; P433-S435 VanDerWaalsContact O-N 3.15Å; P433-L452 HydrophobicContact CB-CD1 4.19Å
434	Y	97	Very high	96.1	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.02	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	45.1	-179.3	-50.4	-86.4	0	0	0	112.3	K398 I421 G436 M437 V442 Y450 L452	K398-Y434 HydrophobicContact CB-CD2 4.28Å; K398-Y434 PolarHBondContact NZ-O 3.39Å; I421-Y434 HydrophobicContact CD1-CE2 3.96Å; Y434-G436 PolarHBondContact O-N 3.31Å; Y434-M437 HydrophobicContact CD1-SD 4.35Å; Y434-M437 WeakPolarHBondContact O-CB 3.34Å; Y434-M437 PolarHBondContact O-N 3.31Å; Y434-V442 HydrophobicContact CD1-CG1 4.42Å; Y434-V442 HydrophobicContact CD1-CG2 4.27Å; Y434-V442 HydrophobicContact CD2-CG1 4.01Å; Y434-V442 HydrophobicContact CD2-CG2 4.13Å; Y434-V442 HydrophobicContact CE1-CG1 4.5Å; Y434-V442 HydrophobicContact CE2-CG1 4.1Å; Y434-V442 HydrophobicContact CG-CG1 4.18Å; Y434-V442 HydrophobicContact CG-CG2 3.74Å; Y434-Y450 HydrophobicContact CD1-CD1 4.49Å; Y434-Y450 AromaticContact CD1-CE1 3.95Å; Y434-Y450 HydrophobicContact CD1-CE1 3.95Å; Y434-Y450 HydrophobicContact CE1-CD1 4.03Å; Y434-Y450 AromaticContact CE1-CE1 3.77Å; Y434-Y450 HydrophobicContact CE1-CE1 3.77Å; Y434-L452 HydrophobicContact CD1-CD2 3.57Å; Y434-L452 HydrophobicContact CD1-CG 3.93Å; Y434-L452 HydrophobicContact CD2-CD1 4.26Å; Y434-L452 HydrophobicContact CD2-CD2 4.39Å; Y434-L452 HydrophobicContact CD2-CG 4.44Å; Y434-L452 HydrophobicContact CE1-CD1 4.29Å; Y434-L452 HydrophobicContact CE1-CD2 3.76Å; Y434-L452 HydrophobicContact CE1-CG 3.57Å; Y434-L452 HydrophobicContact CE2-CD1 3.92Å; Y434-L452 HydrophobicContact CE2-CG 4.12Å; Y434-L452 HydrophobicContact CG-CD2 3.91Å; Y434-L452 HydrophobicContact CG-CG 4.35Å
435	S	94.3	Very high	96	Very high	96 Å²	96	50.2 Å²	50.2	67%	0.671	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	137.9	-179.1	-171.8	0	0	0	0	110.8	M432 P433 M437	M432-S435 PolarHBondContact O-N 3.23Å; P433-S435 PolarHBondContact O-N 3.09Å; P433-S435 VanDerWaalsContact O-N 3.15Å; S435-M437 VanDerWaalsContact C-N 3.3Å; S435-M437 PolarHBondContact O-N 3.47Å
436	G	94.5	Very high	95.9	Very high	79 Å²	79	50.7 Å²	50.7	81%	0.814	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-7.8	-174.3	0	0	0	0	0	115.6	Y434	Y434-G436 PolarHBondContact O-N 3.31Å
437	M	96.3	Very high	95.6	Very high	55 Å²	55	54.7 Å²	54.7	27%	0.271	33%	0.328	S	S	.	.			trans	-104.2	138.4	175.2	-57.5	-179.4	-175.6	0	0	112	K398 Y434 S435 Q441 V442 M445	K398-M437 WeakPolarHBondContact CE-O 3.46Å; K398-M437 PolarHBondContact NZ-O 3.1Å; Y434-M437 HydrophobicContact CD1-SD 4.35Å; Y434-M437 WeakPolarHBondContact O-CB 3.34Å; Y434-M437 PolarHBondContact O-N 3.31Å; S435-M437 VanDerWaalsContact C-N 3.3Å; S435-M437 PolarHBondContact O-N 3.47Å; M437-Q441 HydrophobicContact CB-CB 4.19Å; M437-V442 HydrophobicContact CB-CG2 3.82Å; M437-V442 HydrophobicContact SD-CG2 4.44Å; M437-M445 HydrophobicContact SD-CG 4.21Å
438	T	95.6	Very high	95.4	Very high	80 Å²	80	60.8 Å²	60.8	49%	0.491	36%	0.356	S	S	.	.			trans	-72.7	162.5	167.1	63.7	0	0	0	0	111.1	A440 Q441 V442	T438-A440 VanDerWaalsContact C-N 3.29Å; T438-A440 PolarHBondContact O-N 3.03Å; T438-Q441 PolarHBondContact O-N 3.24Å; T438-Q441 WeakPolarHBondContact OG1-CG 3.41Å; T438-Q441 PolarHBondContact OG1-N 3.46Å; T438-Q441 PolarHBondContact OG1-OE1 3.35Å; T438-V442 WeakPolarHBondContact O-CG2 3.43Å; T438-V442 PolarHBondContact O-N 3.12Å
439	G	91.8	Very high	95.3	Very high	26 Å²	26	65.7 Å²	65.7	27%	0.268	38%	0.382	S	S	.	.	H	α-helix	trans	-56.4	-41.6	176.9	0	0	0	0	0	113.2	Q441 V442 I443	G439-Q441 PolarHBondContact O-N 3.33Å; G439-V442 PolarHBondContact O-N 3.36Å; G439-I443 WeakPolarHBondContact O-CG1 3.37Å; G439-I443 PolarHBondContact O-N 3.17Å
440	A	93.4	Very high	95.2	Very high	74 Å²	74	65.8 Å²	65.8	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-41.4	177.3	0	0	0	0	0	112.6	T438 I443 Q444	T438-A440 VanDerWaalsContact C-N 3.29Å; T438-A440 PolarHBondContact O-N 3.03Å; A440-I443 PolarHBondContact O-N 2.94Å; A440-Q444 PolarHBondContact O-N 3.18Å; A440-Q444 VanDerWaalsContact O-N 3.07Å
441	Q	96.6	Very high	95.3	Very high	88 Å²	88	67.6 Å²	67.6	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-40.8	175.2	-73.8	166.4	-41.7	0	0	111.5	M437 T438 G439 I443 Q444 M445	M437-Q441 HydrophobicContact CB-CB 4.19Å; T438-Q441 PolarHBondContact O-N 3.24Å; T438-Q441 WeakPolarHBondContact OG1-CG 3.41Å; T438-Q441 PolarHBondContact OG1-N 3.46Å; T438-Q441 PolarHBondContact OG1-OE1 3.35Å; G439-Q441 PolarHBondContact O-N 3.33Å; Q441-I443 VanDerWaalsContact C-N 3.34Å; Q441-I443 PolarHBondContact O-N 3.42Å; Q441-Q444 PolarHBondContact O-N 3.03Å; Q441-M445 VanDerWaalsContact O-CG 3.26Å; Q441-M445 WeakPolarHBondContact O-CG 3.47Å; Q441-M445 PolarHBondContact O-N 3Å
442	V	96.2	Very high	95.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-45.7	175.7	173.5	0	0	0	0	110.7	K398 Y434 M437 T438 G439 Q444 M445 L446	K398-V442 HydrophobicContact CG-CG2 4.32Å; Y434-V442 HydrophobicContact CD1-CG1 4.42Å; Y434-V442 HydrophobicContact CD1-CG2 4.27Å; Y434-V442 HydrophobicContact CD2-CG1 4.01Å; Y434-V442 HydrophobicContact CD2-CG2 4.13Å; Y434-V442 HydrophobicContact CE1-CG1 4.5Å; Y434-V442 HydrophobicContact CE2-CG1 4.1Å; Y434-V442 HydrophobicContact CG-CG1 4.18Å; Y434-V442 HydrophobicContact CG-CG2 3.74Å; M437-V442 HydrophobicContact CB-CG2 3.82Å; M437-V442 HydrophobicContact SD-CG2 4.44Å; T438-V442 WeakPolarHBondContact O-CG2 3.43Å; T438-V442 PolarHBondContact O-N 3.12Å; G439-V442 PolarHBondContact O-N 3.36Å; V442-Q444 VanDerWaalsContact C-N 3.32Å; V442-Q444 PolarHBondContact O-N 3.22Å; V442-M445 PolarHBondContact O-N 3.09Å; V442-L446 HydrophobicContact CG1-CD1 3.84Å; V442-L446 HydrophobicContact CG1-CG 4.14Å; V442-L446 WeakPolarHBondContact O-CB 3.25Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.45Å; V442-L446 PolarHBondContact O-N 3.18Å
443	I	93.9	Very high	95.4	Very high	72 Å²	72	61 Å²	61	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-57.1	-46.1	176.5	-66.3	167	0	0	0	111.1	V397 I405 G439 A440 Q441 M445 L446 A447	V397-I443 HydrophobicContact CG1-CD1 3.94Å; V397-I443 HydrophobicContact CG1-CG1 3.81Å; I405-I443 HydrophobicContact CD1-CG1 4.25Å; I405-I443 HydrophobicContact CG2-CD1 3.79Å; I405-I443 HydrophobicContact CG2-CG1 4.04Å; G439-I443 WeakPolarHBondContact O-CG1 3.37Å; G439-I443 PolarHBondContact O-N 3.17Å; A440-I443 PolarHBondContact O-N 2.94Å; Q441-I443 VanDerWaalsContact C-N 3.34Å; Q441-I443 PolarHBondContact O-N 3.42Å; I443-M445 PolarHBondContact O-N 3.07Å; I443-L446 PolarHBondContact O-N 3.04Å; I443-A447 PolarHBondContact O-N 3.49Å; I443-A447 VanDerWaalsContact O-N 3.08Å
444	Q	95.7	Very high	95.5	Very high	122 Å²	122	64.7 Å²	64.7	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-61.7	-44.1	178.1	-176	-178.5	-6.9	0	0	112.2	A440 Q441 V442 A447 Q448	A440-Q444 PolarHBondContact O-N 3.18Å; A440-Q444 VanDerWaalsContact O-N 3.07Å; Q441-Q444 PolarHBondContact O-N 3.03Å; V442-Q444 VanDerWaalsContact C-N 3.32Å; V442-Q444 PolarHBondContact O-N 3.22Å; Q444-A447 PolarHBondContact O-N 3.37Å; Q444-Q448 PolarHBondContact O-N 3.4Å
445	M	96.6	Very high	95.5	Very high	53 Å²	53	65.4 Å²	65.4	26%	0.261	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-44	178.7	-68.2	-65.8	-65.9	0	0	111.4	M437 Q441 V442 I443 A447 Q448 Y450	M437-M445 HydrophobicContact SD-CG 4.21Å; Q441-M445 VanDerWaalsContact O-CG 3.26Å; Q441-M445 WeakPolarHBondContact O-CG 3.47Å; Q441-M445 PolarHBondContact O-N 3Å; V442-M445 PolarHBondContact O-N 3.09Å; I443-M445 PolarHBondContact O-N 3.07Å; M445-A447 VanDerWaalsContact C-N 3.27Å; M445-A447 PolarHBondContact O-N 3.33Å; M445-Q448 CarbonylContact O-C 3.57Å; M445-Q448 WeakPolarHBondContact O-CA 3.46Å; M445-Q448 WeakPolarHBondContact O-CB 3.38Å; M445-Q448 PolarHBondContact O-N 3.3Å; M445-Y450 HydrophobicContact CB-CD1 3.99Å; M445-Y450 HydrophobicContact CB-CG 4.19Å; M445-Y450 HydrophobicContact CE-CD1 3.95Å; M445-Y450 HydrophobicContact CE-CD2 3.52Å; M445-Y450 HydrophobicContact CE-CE1 4.35Å; M445-Y450 HydrophobicContact CE-CE2 3.96Å; M445-Y450 HydrophobicContact CE-CG 3.51Å; M445-Y450 WeakPolarHBondContact O-CB 3.32Å; M445-Y450 PolarHBondContact O-N 3.46Å; M445-Y450 VanDerWaalsContact O-N 3.15Å
446	L	95	Very high	95.3	Very high	9 Å²	9	66.5 Å²	66.5	5%	0.047	40%	0.396	C	S	.	.	H	α-helix	trans	-61.1	-36.6	178	-70.4	177.8	0	0	0	112	P402 W417 V442 I443 Q448 N449 Y450	P402-L446 HydrophobicContact CG-CB 4.41Å; P402-L446 HydrophobicContact CG-CD1 4.31Å; W417-L446 HydrophobicContact CH2-CD2 3.98Å; W417-L446 HydrophobicContact CZ2-CD1 4.17Å; W417-L446 HydrophobicContact CZ2-CD2 3.72Å; V442-L446 HydrophobicContact CG1-CD1 3.84Å; V442-L446 HydrophobicContact CG1-CG 4.14Å; V442-L446 WeakPolarHBondContact O-CB 3.25Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.45Å; V442-L446 PolarHBondContact O-N 3.18Å; I443-L446 PolarHBondContact O-N 3.04Å; L446-Q448 PolarHBondContact O-N 3.38Å; L446-N449 PolarHBondContact O-N 2.99Å; L446-Y450 WeakPolarHBondContact CD2-O 3.46Å
447	A	92.5	Very high	95	Very high	85 Å²	85	68.3 Å²	68.3	70%	0.702	39%	0.387	S	S	*	.	H	α-helix	trans	-64.2	-21.6	174.5	0	0	0	0	0	113.4	I443 Q444 M445 N449	I443-A447 PolarHBondContact O-N 3.49Å; I443-A447 VanDerWaalsContact O-N 3.08Å; Q444-A447 PolarHBondContact O-N 3.37Å; M445-A447 VanDerWaalsContact C-N 3.27Å; M445-A447 PolarHBondContact O-N 3.33Å; A447-N449 VanDerWaalsContact C-N 3.31Å
448	Q	94.9	Very high	95.1	Very high	131 Å²	131	66 Å²	66	61%	0.612	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	17.9	174.2	-62	177.7	-6.1	0	0	112.6	Q444 M445 L446 Y450	Q444-Q448 PolarHBondContact O-N 3.4Å; M445-Q448 CarbonylContact O-C 3.57Å; M445-Q448 WeakPolarHBondContact O-CA 3.46Å; M445-Q448 WeakPolarHBondContact O-CB 3.38Å; M445-Q448 PolarHBondContact O-N 3.3Å; L446-Q448 PolarHBondContact O-N 3.38Å; Q448-Y450 PolarHBondContact O-N 2.95Å
449	N	93.4	Very high	95.1	Very high	115 Å²	115	64.2 Å²	64.2	62%	0.615	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	19.1	-175.7	-68.1	-45.5	0	0	0	115.1	L446 A447	L446-N449 PolarHBondContact O-N 2.99Å; A447-N449 VanDerWaalsContact C-N 3.31Å
450	Y	96.9	Very high	95.4	Very high	71 Å²	71	67.6 Å²	67.6	28%	0.278	38%	0.375	S	S	.	.			trans	-63.8	143.6	172.3	178.7	-98.7	0	0	0	111.2	Y434 M445 L446 Q448 P453	Y434-Y450 HydrophobicContact CD1-CD1 4.49Å; Y434-Y450 AromaticContact CD1-CE1 3.95Å; Y434-Y450 HydrophobicContact CD1-CE1 3.95Å; Y434-Y450 HydrophobicContact CE1-CD1 4.03Å; Y434-Y450 AromaticContact CE1-CE1 3.77Å; Y434-Y450 HydrophobicContact CE1-CE1 3.77Å; M445-Y450 HydrophobicContact CB-CD1 3.99Å; M445-Y450 HydrophobicContact CB-CG 4.19Å; M445-Y450 HydrophobicContact CE-CD1 3.95Å; M445-Y450 HydrophobicContact CE-CD2 3.52Å; M445-Y450 HydrophobicContact CE-CE1 4.35Å; M445-Y450 HydrophobicContact CE-CE2 3.96Å; M445-Y450 HydrophobicContact CE-CG 3.51Å; M445-Y450 WeakPolarHBondContact O-CB 3.32Å; M445-Y450 PolarHBondContact O-N 3.46Å; M445-Y450 VanDerWaalsContact O-N 3.15Å; L446-Y450 WeakPolarHBondContact CD2-O 3.46Å; Q448-Y450 PolarHBondContact O-N 2.95Å; Y450-P453 WeakPolarHBondContact OH-CD 3.34Å
451	R	97.3	Very high	95.5	Very high	40 Å²	40	69.2 Å²	69.2	15%	0.151	37%	0.369	C	S	.	.			trans	-132.7	155	170.7	-61.9	-61.2	-178.7	-91.3	-1.1	109.3	W417 W470	W417-R451 VanDerWaalsContact CH2-CZ 3.5Å; R451-W470 HydrophobicContact CB-CE3 4.24Å; R451-W470 PolarHBondContact NE-O 3.35Å; R451-W470 PolarHBondContact NH2-O 3.02Å
452	L	97.7	Very high	95.6	Very high	5 Å²	5	65 Å²	65	3%	0.026	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-58.5	135.3	175.1	-75.9	166.5	0	0	0	109.5	I421 Y424 P433 Y434 Y463 W470	I421-L452 HydrophobicContact CD1-CD1 4.18Å; Y424-L452 HydrophobicContact CD1-CD1 4.07Å; Y424-L452 HydrophobicContact CD2-CB 4.13Å; Y424-L452 HydrophobicContact CD2-CD1 3.82Å; Y424-L452 HydrophobicContact CE1-CD1 4.24Å; Y424-L452 HydrophobicContact CE2-CB 4.05Å; Y424-L452 HydrophobicContact CE2-CD1 3.97Å; Y424-L452 HydrophobicContact CE2-CD2 4.37Å; Y424-L452 HydrophobicContact CE2-CG 4.34Å; Y424-L452 HydrophobicContact CG-CD1 3.87Å; P433-L452 HydrophobicContact CB-CD1 4.19Å; Y434-L452 HydrophobicContact CD1-CD2 3.57Å; Y434-L452 HydrophobicContact CD1-CG 3.93Å; Y434-L452 HydrophobicContact CD2-CD1 4.26Å; Y434-L452 HydrophobicContact CD2-CD2 4.39Å; Y434-L452 HydrophobicContact CD2-CG 4.44Å; Y434-L452 HydrophobicContact CE1-CD1 4.29Å; Y434-L452 HydrophobicContact CE1-CD2 3.76Å; Y434-L452 HydrophobicContact CE1-CG 3.57Å; Y434-L452 HydrophobicContact CE2-CD1 3.92Å; Y434-L452 HydrophobicContact CE2-CG 4.12Å; Y434-L452 HydrophobicContact CG-CD2 3.91Å; Y434-L452 HydrophobicContact CG-CG 4.35Å; L452-Y463 PolarHBondContact O-OH 3.33Å; L452-W470 HydrophobicContact CB-CH2 3.99Å; L452-W470 HydrophobicContact CB-CZ3 4.15Å; L452-W470 HydrophobicContact CD1-CH2 4.29Å; L452-W470 HydrophobicContact CD1-CZ2 4.48Å
453	P	97.4	Very high	95.7	Very high	75 Å²	75	66.3 Å²	66.3	49%	0.487	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.2	158.8	177.7	30.7	-35.9	0	0	0	110.8	Y450 P455	Y450-P453 WeakPolarHBondContact OH-CD 3.34Å; P453-P455 VanDerWaalsContact O-CD 3.3Å; P453-P455 WeakPolarHBondContact O-CD 3.41Å
454	Q	98.2	Very high	95.9	Very high	77 Å²	77	66.1 Å²	66.1	36%	0.36	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-56.1	123.1	173.5	-174.9	176.3	10	0	0	110.7	C458 Y463	Q454-C458 HydrophobicContact CG-CB 4.14Å; Q454-C458 PolarHBondContact NE2-O 3.06Å; Q454-Y463 HydrophobicContact CB-CD1 3.74Å; Q454-Y463 HydrophobicContact CB-CD2 3.97Å; Q454-Y463 HydrophobicContact CB-CE1 3.78Å; Q454-Y463 HydrophobicContact CB-CE2 4.01Å; Q454-Y463 HydrophobicContact CB-CG 3.83Å; Q454-Y463 HydrophobicContact CG-CD1 3.96Å; Q454-Y463 HydrophobicContact CG-CD2 4.19Å; Q454-Y463 HydrophobicContact CG-CE1 4.5Å; Q454-Y463 HydrophobicContact CG-CG 3.78Å; Q454-Y463 PolarHBondContact N-OH 2.84Å
455	P	96.8	Very high	96.1	Very high	20 Å²	20	60.7 Å²	60.7	13%	0.13	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63.9	149.2	173.2	-23.3	34.7	0	0	0	112	Y424 I427 T428 P453 N457 C458	Y424-P455 HydrophobicContact CD2-CG 3.85Å; Y424-P455 HydrophobicContact CE2-CG 3.72Å; I427-P455 HydrophobicContact CG2-CB 4.33Å; I427-P455 HydrophobicContact CG2-CG 3.84Å; T428-P455 HydrophobicContact CG2-CB 3.77Å; T428-P455 HydrophobicContact CG2-CG 3.65Å; P453-P455 VanDerWaalsContact O-CD 3.3Å; P453-P455 WeakPolarHBondContact O-CD 3.41Å; P455-N457 PolarHBondContact O-N 3.27Å; P455-N457 VanDerWaalsContact O-N 3.11Å; P455-C458 HydrophobicContact CB-CB 3.94Å; P455-C458 HydrophobicContact CG-CB 4.13Å; P455-C458 VanDerWaalsContact O-CB 3.24Å; P455-C458 WeakPolarHBondContact O-CB 3.41Å; P455-C458 PolarHBondContact O-N 3.25Å
456	S	91.1	Very high	96.2	Very high	119 Å²	119	58.1 Å²	58.1	83%	0.832	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.9	-174.5	59.9	0	0	0	0	114.9
457	N	88.4	Confident	96.3	Very high	118 Å²	118	60.9 Å²	60.9	63%	0.631	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	11.3	-178.7	-60.3	-13.8	0	0	0	112.6	P455 P459	P455-N457 PolarHBondContact O-N 3.27Å; P455-N457 VanDerWaalsContact O-N 3.11Å; N457-P459 WeakPolarHBondContact O-CD 3.46Å
458	C	97.1	Very high	96.6	Very high	7 Å²	7	60 Å²	60	5%	0.047	31%	0.313	C	S	.	.			trans	-93.2	118.7	-176.8	-174.4	0	0	0	0	110.5	I427 Q454 P455	I427-C458 HydrophobicContact CG1-CB 3.72Å; I427-C458 HydrophobicContact CG2-CB 4.38Å; Q454-C458 HydrophobicContact CG-CB 4.14Å; Q454-C458 PolarHBondContact NE2-O 3.06Å; P455-C458 HydrophobicContact CB-CB 3.94Å; P455-C458 HydrophobicContact CG-CB 4.13Å; P455-C458 VanDerWaalsContact O-CB 3.24Å; P455-C458 WeakPolarHBondContact O-CB 3.41Å; P455-C458 PolarHBondContact O-N 3.25Å
459	P	97.1	Very high	96.8	Very high	41 Å²	41	53.8 Å²	53.8	27%	0.266	28%	0.283	S	S	.	.			trans	-59.5	146.7	171.5	-19.3	30.1	0	0	0	111.5	L328 N457 Q461 F462 Y463 Y490	L328-P459 HydrophobicContact CD1-CG 3.78Å; L328-P459 HydrophobicContact CD2-CG 3.48Å; L328-P459 VanDerWaalsContact CD2-CG 3.48Å; L328-P459 HydrophobicContact CG-CG 4.28Å; N457-P459 WeakPolarHBondContact O-CD 3.46Å; P459-Q461 VanDerWaalsContact C-N 3.26Å; P459-Q461 PolarHBondContact O-N 3.09Å; P459-F462 PolarHBondContact O-N 3.4Å; P459-F462 VanDerWaalsContact O-N 3.13Å; P459-Y463 PolarHBondContact O-N 3.06Å; P459-Y490 WeakPolarHBondContact CB-OH 3.49Å
460	Q	96.9	Very high	97.1	Very high	98 Å²	98	48.4 Å²	48.4	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-56.1	-41.2	-179	-172.9	63.1	49.6	0	0	112.4	F462 Y463 N464	Q460-F462 PolarHBondContact O-N 2.89Å; Q460-Y463 PolarHBondContact O-N 2.91Å; Q460-N464 PolarHBondContact NE2-OD1 2.63Å; Q460-N464 WeakPolarHBondContact O-CB 3.17Å; Q460-N464 PolarHBondContact O-N 3.43Å; Q460-N464 PolarHBondContact O-OD1 3.34Å
461	Q	96.4	Very high	97.1	Very high	107 Å²	107	48 Å²	48	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-44.2	179.1	-174.9	-179.4	-1.3	0	0	112	P459 N464 I465 Y490	P459-Q461 VanDerWaalsContact C-N 3.26Å; P459-Q461 PolarHBondContact O-N 3.09Å; Q461-N464 PolarHBondContact O-N 3.01Å; Q461-I465 PolarHBondContact O-N 3.37Å; Q461-Y490 HydrophobicContact CB-CE2 4.15Å; Q461-Y490 HydrophobicContact CG-CD2 4.43Å; Q461-Y490 HydrophobicContact CG-CE2 3.78Å
462	F	97.8	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-39.9	176.3	-160.4	-100.8	0	0	0	111.8	V332 A335 L423 I427 P459 Q460 I465 M466 L487 Y490	V332-F462 HydrophobicContact CG2-CD2 3.94Å; V332-F462 HydrophobicContact CG2-CE2 3.87Å; A335-F462 HydrophobicContact CB-CE2 4.36Å; A335-F462 HydrophobicContact CB-CZ 4.32Å; L423-F462 HydrophobicContact CB-CE1 4.02Å; L423-F462 HydrophobicContact CB-CZ 4.27Å; L423-F462 HydrophobicContact CD2-CE1 4.43Å; L423-F462 HydrophobicContact CD2-CE2 4.47Å; L423-F462 HydrophobicContact CD2-CZ 3.82Å; L423-F462 HydrophobicContact CG-CZ 4.49Å; I427-F462 HydrophobicContact CB-CD1 4.26Å; I427-F462 HydrophobicContact CB-CE1 3.97Å; I427-F462 HydrophobicContact CD1-CD1 4.49Å; I427-F462 HydrophobicContact CG1-CD1 4.31Å; I427-F462 HydrophobicContact CG1-CE1 4.45Å; P459-F462 PolarHBondContact O-N 3.4Å; P459-F462 VanDerWaalsContact O-N 3.13Å; Q460-F462 PolarHBondContact O-N 2.89Å; F462-I465 WeakPolarHBondContact O-CB 3.35Å; F462-I465 PolarHBondContact O-N 3.21Å; F462-M466 HydrophobicContact CD1-CE 3.38Å; F462-M466 HydrophobicContact CE1-CE 3.45Å; F462-M466 VanDerWaalsContact CE1-CE 3.45Å; F462-M466 PolarHBondContact O-N 3.19Å; F462-L487 HydrophobicContact CD2-CD2 4.4Å; F462-L487 HydrophobicContact CE2-CD2 3.95Å; F462-Y490 HydrophobicContact CB-CE2 4.12Å; F462-Y490 AromaticContact CD2-CE2 3.99Å; F462-Y490 HydrophobicContact CD2-CE2 3.99Å; F462-Y490 PolarHBondContact N-OH 3.38Å
463	Y	98.6	Very high	96.9	Very high	28 Å²	28	53 Å²	53	11%	0.11	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-36.2	175.4	-177.1	-118.5	0	0	0	113	L452 Q454 P459 Q460 I465 M466 L467 W470	L452-Y463 PolarHBondContact O-OH 3.33Å; Q454-Y463 HydrophobicContact CB-CD1 3.74Å; Q454-Y463 HydrophobicContact CB-CD2 3.97Å; Q454-Y463 HydrophobicContact CB-CE1 3.78Å; Q454-Y463 HydrophobicContact CB-CE2 4.01Å; Q454-Y463 HydrophobicContact CB-CG 3.83Å; Q454-Y463 HydrophobicContact CG-CD1 3.96Å; Q454-Y463 HydrophobicContact CG-CD2 4.19Å; Q454-Y463 HydrophobicContact CG-CE1 4.5Å; Q454-Y463 HydrophobicContact CG-CG 3.78Å; Q454-Y463 PolarHBondContact N-OH 2.84Å; P459-Y463 PolarHBondContact O-N 3.06Å; Q460-Y463 PolarHBondContact O-N 2.91Å; Y463-I465 VanDerWaalsContact C-N 3.27Å; Y463-I465 PolarHBondContact O-N 3.01Å; Y463-M466 HydrophobicContact CD2-CB 4.46Å; Y463-M466 HydrophobicContact CD2-SD 4.05Å; Y463-M466 WeakPolarHBondContact O-CA 3.24Å; Y463-M466 VanDerWaalsContact O-CB 3.31Å; Y463-M466 WeakPolarHBondContact O-CB 3.39Å; Y463-M466 PolarHBondContact O-N 2.93Å; Y463-L467 HydrophobicContact CD1-CD1 3.99Å; Y463-L467 HydrophobicContact CD1-CG 4.28Å; Y463-L467 HydrophobicContact CE1-CD1 3.6Å; Y463-L467 HydrophobicContact CE1-CD2 4.18Å; Y463-L467 HydrophobicContact CE1-CG 3.9Å; Y463-L467 HydrophobicContact CE2-CD2 4.41Å; Y463-L467 HydrophobicContact CE2-CG 4.44Å; Y463-L467 PolarHBondContact O-N 3.49Å; Y463-W470 HydrophobicContact CE2-CZ3 4.28Å
464	N	98.5	Very high	96.9	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-39	175.1	-70	-11.9	0	0	0	111.3	Q460 Q461 M466 L467 E468	Q460-N464 PolarHBondContact NE2-OD1 2.63Å; Q460-N464 WeakPolarHBondContact O-CB 3.17Å; Q460-N464 PolarHBondContact O-N 3.43Å; Q460-N464 PolarHBondContact O-OD1 3.34Å; Q461-N464 PolarHBondContact O-N 3.01Å; N464-M466 VanDerWaalsContact C-N 3.29Å; N464-M466 PolarHBondContact O-N 3.26Å; N464-L467 PolarHBondContact O-N 2.7Å; N464-L467 VanDerWaalsContact O-N 3.17Å; N464-E468 WeakPolarHBondContact O-CG 3.27Å; N464-E468 PolarHBondContact O-N 2.93Å
465	I	98.7	Very high	96.8	Very high	7 Å²	7	54 Å²	54	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-40.5	173.4	-60.9	170.4	0	0	0	110.8	L423 Q461 F462 Y463 E468 C469 L483 L487 Y490	L423-I465 HydrophobicContact CD1-CB 4.35Å; L423-I465 HydrophobicContact CD1-CG2 3.68Å; Q461-I465 PolarHBondContact O-N 3.37Å; F462-I465 WeakPolarHBondContact O-CB 3.35Å; F462-I465 PolarHBondContact O-N 3.21Å; Y463-I465 VanDerWaalsContact C-N 3.27Å; Y463-I465 PolarHBondContact O-N 3.01Å; I465-E468 PolarHBondContact O-N 2.94Å; I465-C469 PolarHBondContact O-N 3.27Å; I465-C469 VanDerWaalsContact O-N 3.07Å; I465-C469 PolarHBondContact O-SG 2.75Å; I465-L483 HydrophobicContact CG2-CD2 3.55Å; I465-L487 HydrophobicContact CD1-CD2 3.94Å; I465-L487 HydrophobicContact CD1-CG 4.47Å; I465-Y490 HydrophobicContact CD1-CD2 4.35Å; I465-Y490 HydrophobicContact CD1-CE2 4.39Å
466	M	98.8	Very high	96.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-43.6	174.9	-54	-176.5	-169.8	0	0	111.9	L423 I427 F462 Y463 N464 E468 C469 W470	L423-M466 HydrophobicContact CB-CE 3.83Å; L423-M466 HydrophobicContact CB-CG 3.88Å; L423-M466 HydrophobicContact CB-SD 4.37Å; L423-M466 HydrophobicContact CD1-CG 4.11Å; L423-M466 WeakPolarHBondContact O-CE 3.47Å; I427-M466 HydrophobicContact CB-CE 4.27Å; I427-M466 HydrophobicContact CG2-CE 3.6Å; F462-M466 HydrophobicContact CD1-CE 3.38Å; F462-M466 HydrophobicContact CE1-CE 3.45Å; F462-M466 VanDerWaalsContact CE1-CE 3.45Å; F462-M466 PolarHBondContact O-N 3.19Å; Y463-M466 HydrophobicContact CD2-CB 4.46Å; Y463-M466 HydrophobicContact CD2-SD 4.05Å; Y463-M466 WeakPolarHBondContact O-CA 3.24Å; Y463-M466 VanDerWaalsContact O-CB 3.31Å; Y463-M466 WeakPolarHBondContact O-CB 3.39Å; Y463-M466 PolarHBondContact O-N 2.93Å; N464-M466 VanDerWaalsContact C-N 3.29Å; N464-M466 PolarHBondContact O-N 3.26Å; M466-E468 VanDerWaalsContact C-N 3.35Å; M466-E468 PolarHBondContact O-N 2.8Å; M466-C469 WeakPolarHBondContact O-CB 3.49Å; M466-C469 PolarHBondContact O-N 3.03Å; M466-W470 HydrophobicContact CB-CD2 4.45Å; M466-W470 HydrophobicContact CB-CE3 4.1Å; M466-W470 HydrophobicContact CB-CH2 3.8Å; M466-W470 HydrophobicContact CB-CZ2 4.16Å; M466-W470 HydrophobicContact CB-CZ3 3.78Å; M466-W470 HydrophobicContact CG-CH2 4.4Å; M466-W470 VanDerWaalsContact O-CD2 3.3Å; M466-W470 VanDerWaalsContact O-CG 3.32Å; M466-W470 PolarHBondContact O-N 2.82Å; M466-W470 HydrophobicContact SD-CH2 3.95Å
467	L	98.7	Very high	97.2	Very high	67 Å²	67	53 Å²	53	35%	0.351	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-39.6	178.6	-69.9	178.7	0	0	0	112.3	Y463 N464 C469 W470 N471	Y463-L467 HydrophobicContact CD1-CD1 3.99Å; Y463-L467 HydrophobicContact CD1-CG 4.28Å; Y463-L467 HydrophobicContact CE1-CD1 3.6Å; Y463-L467 HydrophobicContact CE1-CD2 4.18Å; Y463-L467 HydrophobicContact CE1-CG 3.9Å; Y463-L467 HydrophobicContact CE2-CD2 4.41Å; Y463-L467 HydrophobicContact CE2-CG 4.44Å; Y463-L467 PolarHBondContact O-N 3.49Å; N464-L467 PolarHBondContact O-N 2.7Å; N464-L467 VanDerWaalsContact O-N 3.17Å; L467-C469 VanDerWaalsContact C-N 3.33Å; L467-W470 HydrophobicContact CD2-CE3 4.37Å; L467-W470 CarbonylContact O-C 3.45Å; L467-W470 PolarHBondContact O-N 3.48Å; L467-N471 PolarHBondContact O-N 3.22Å
468	E	98.6	Very high	97.7	Very high	66 Å²	66	48.2 Å²	48.2	31%	0.308	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-43.5	172.4	-69.7	174.1	-169	0	0	111.4	N464 I465 M466 W470 N471 P478 K486	N464-E468 WeakPolarHBondContact O-CG 3.27Å; N464-E468 PolarHBondContact O-N 2.93Å; I465-E468 PolarHBondContact O-N 2.94Å; M466-E468 VanDerWaalsContact C-N 3.35Å; M466-E468 PolarHBondContact O-N 2.8Å; E468-W470 VanDerWaalsContact C-N 3.28Å; E468-W470 PolarHBondContact O-N 3.07Å; E468-N471 PolarHBondContact O-N 2.89Å; E468-P478 HydrophobicContact CB-CG 4.31Å; E468-K486 IonicContact OE1-NZ 3.59Å; E468-K486 PolarHBondContact OE1-NZ 3.41Å; E468-K486 IonicContact OE2-NZ 2.99Å; E468-K486 PolarHBondContact OE2-NZ 3.26Å
469	C	98.8	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-34.2	175.3	-65.6	0	0	0	0	112.5	V416 I465 M466 L467 N471 R477	V416-C469 HydrophobicContact CG1-CB 4.17Å; V416-C469 WeakPolarHBondContact O-CB 3.47Å; I465-C469 PolarHBondContact O-N 3.27Å; I465-C469 VanDerWaalsContact O-N 3.07Å; I465-C469 PolarHBondContact O-SG 2.75Å; M466-C469 WeakPolarHBondContact O-CB 3.49Å; M466-C469 PolarHBondContact O-N 3.03Å; L467-C469 VanDerWaalsContact C-N 3.33Å; C469-N471 VanDerWaalsContact C-N 3.34Å; C469-N471 PolarHBondContact O-N 3.25Å; C469-R477 VanDerWaalsContact O-CD 3.24Å; C469-R477 WeakPolarHBondContact O-CD 3.42Å
470	W	98.5	Very high	97.8	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.011	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	22.7	-178.9	-56.1	-35.5	0	0	0	114.4	W417 G420 I421 R451 L452 Y463 M466 L467 E468 A472	W417-W470 AromaticContact CD2-CD1 3.8Å; W417-W470 AromaticContact CE2-CD1 3.9Å; W417-W470 HydrophobicContact CE3-CB 4.17Å; W417-W470 HydrophobicContact CH2-CB 4.23Å; W417-W470 HydrophobicContact CZ3-CB 3.96Å; W417-W470 WeakPolarHBondContact CZ3-O 3.46Å; W417-W470 PolarHBondContact O-NE1 3.38Å; G420-W470 VanDerWaalsContact C-CZ2 3.44Å; G420-W470 WeakPolarHBondContact O-CZ2 3.49Å; I421-W470 HydrophobicContact CD1-CZ2 3.67Å; I421-W470 HydrophobicContact CG1-CZ2 4.39Å; R451-W470 HydrophobicContact CB-CE3 4.24Å; R451-W470 PolarHBondContact NE-O 3.35Å; R451-W470 PolarHBondContact NH2-O 3.02Å; L452-W470 HydrophobicContact CB-CH2 3.99Å; L452-W470 HydrophobicContact CB-CZ3 4.15Å; L452-W470 HydrophobicContact CD1-CH2 4.29Å; L452-W470 HydrophobicContact CD1-CZ2 4.48Å; Y463-W470 HydrophobicContact CE2-CZ3 4.28Å; M466-W470 HydrophobicContact CB-CD2 4.45Å; M466-W470 HydrophobicContact CB-CE3 4.1Å; M466-W470 HydrophobicContact CB-CH2 3.8Å; M466-W470 HydrophobicContact CB-CZ2 4.16Å; M466-W470 HydrophobicContact CB-CZ3 3.78Å; M466-W470 HydrophobicContact CG-CH2 4.4Å; M466-W470 VanDerWaalsContact O-CD2 3.3Å; M466-W470 VanDerWaalsContact O-CG 3.32Å; M466-W470 PolarHBondContact O-N 2.82Å; M466-W470 HydrophobicContact SD-CH2 3.95Å; L467-W470 HydrophobicContact CD2-CE3 4.37Å; L467-W470 CarbonylContact O-C 3.45Å; L467-W470 PolarHBondContact O-N 3.48Å; E468-W470 VanDerWaalsContact C-N 3.28Å; E468-W470 PolarHBondContact O-N 3.07Å; W470-A472 PolarHBondContact O-N 3.46Å
471	N	98.2	Very high	97.8	Very high	62 Å²	62	49 Å²	49	33%	0.332	25%	0.249	S	C	.	.			trans	-56.5	136.2	171.4	-160.6	-46.7	0	0	0	110.1	L467 E468 C469 E473 E476 R477	L467-N471 PolarHBondContact O-N 3.22Å; E468-N471 PolarHBondContact O-N 2.89Å; C469-N471 VanDerWaalsContact C-N 3.34Å; C469-N471 PolarHBondContact O-N 3.25Å; N471-E473 PolarHBondContact O-N 3.49Å; N471-E473 PolarHBondContact OD1-N 3.28Å; N471-E473 VanDerWaalsContact OD1-N 3.08Å; N471-E476 HydrophobicContact CB-CB 4.3Å; N471-E476 VanDerWaalsContact ND2-CB 3.34Å; N471-E476 WeakPolarHBondContact ND2-CB 3.26Å; N471-R477 HydrophobicContact CB-CG 3.92Å; N471-R477 PolarHBondContact O-NE 2.95Å; N471-R477 PolarHBondContact O-NH2 2.94Å
472	A	95.2	Very high	97.9	Very high	56 Å²	56	46.7 Å²	46.7	46%	0.463	24%	0.242	S	C	.	.	S	Bend	trans	-62.3	-35.3	179.9	0	0	0	0	0	111.5	W470 P474	W470-A472 PolarHBondContact O-N 3.46Å; A472-P474 WeakPolarHBondContact O-CD 3.4Å
473	E	96.1	Very high	97.9	Very high	93 Å²	93	46.7 Å²	46.7	44%	0.435	24%	0.242	S	C	.	.	S	Bend	trans	-91.1	116.1	178.6	-177.7	56.9	-127.9	0	0	110	N471 K475 E476	N471-E473 PolarHBondContact O-N 3.49Å; N471-E473 PolarHBondContact OD1-N 3.28Å; N471-E473 VanDerWaalsContact OD1-N 3.08Å; E473-K475 VanDerWaalsContact C-N 3.31Å; E473-K475 HydrophobicContact CG-CD 4.15Å; E473-K475 VanDerWaalsContact CG-CE 3.46Å; E473-K475 HydrophobicContact CG-CG 3.52Å; E473-K475 PolarHBondContact O-N 3.37Å; E473-E476 HydrophobicContact CB-CB 4.32Å; E473-E476 HydrophobicContact CB-CG 3.81Å; E473-E476 HydrophobicContact CG-CG 3.78Å; E473-E476 PolarHBondContact O-N 3.38Å; E473-E476 VanDerWaalsContact O-N 3.08Å
474	P	96.3	Very high	97.8	Very high	28 Å²	28	46.7 Å²	46.7	18%	0.182	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-58.1	-37	-173.5	-27.4	35.5	0	0	0	114.7	E403 K413 A472 E476 R477	E403-P474 HydrophobicContact CG-CG 3.94Å; K413-P474 HydrophobicContact CB-CB 3.89Å; K413-P474 WeakPolarHBondContact CB-O 3.4Å; K413-P474 WeakPolarHBondContact CD-O 3.28Å; K413-P474 VanDerWaalsContact CG-O 3.32Å; K413-P474 WeakPolarHBondContact CG-O 3.22Å; A472-P474 WeakPolarHBondContact O-CD 3.4Å; P474-E476 PolarHBondContact O-N 2.98Å; P474-R477 WeakPolarHBondContact O-CB 3.38Å; P474-R477 PolarHBondContact O-N 2.82Å
475	K	96.2	Very high	97.3	Very high	146 Å²	146	50.2 Å²	50.2	64%	0.635	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.5	179.1	57.7	171.7	-177.2	179.3	0	113.7	E473 R477	E473-K475 VanDerWaalsContact C-N 3.31Å; E473-K475 HydrophobicContact CG-CD 4.15Å; E473-K475 VanDerWaalsContact CG-CE 3.46Å; E473-K475 HydrophobicContact CG-CG 3.52Å; E473-K475 PolarHBondContact O-N 3.37Å; K475-R477 VanDerWaalsContact C-N 3.29Å
476	E	98.1	Very high	97.1	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-83.8	-7.9	178.4	-58.3	-59.1	138.6	0	0	112.3	N471 E473 P474	N471-E476 HydrophobicContact CB-CB 4.3Å; N471-E476 VanDerWaalsContact ND2-CB 3.34Å; N471-E476 WeakPolarHBondContact ND2-CB 3.26Å; E473-E476 HydrophobicContact CB-CB 4.32Å; E473-E476 HydrophobicContact CB-CG 3.81Å; E473-E476 HydrophobicContact CG-CG 3.78Å; E473-E476 PolarHBondContact O-N 3.38Å; E473-E476 VanDerWaalsContact O-N 3.08Å; P474-E476 PolarHBondContact O-N 2.98Å
477	R	98.6	Very high	96.9	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.011	27%	0.266	C	S	.	.	S	Bend	trans	-73.8	143.3	173	-57	174.3	-168.3	153.6	8.7	109.1	E403 K413 V416 C469 N471 P474 K475	E403-R477 IonicContact OE1-CZ 3.97Å; E403-R477 IonicContact OE1-NH1 3.67Å; E403-R477 PolarHBondContact OE1-NH1 3.39Å; E403-R477 IonicContact OE1-NH2 2.61Å; E403-R477 PolarHBondContact OE1-NH2 2.62Å; E403-R477 IonicContact OE2-CZ 2.71Å; E403-R477 IonicContact OE2-NH1 3.54Å; E403-R477 IonicContact OE2-NH2 3.72Å; E403-R477 PolarHBondContact OE2-NH2 2.83Å; K413-R477 HydrophobicContact CD-CB 4.28Å; K413-R477 PolarHBondContact NZ-O 3.19Å; K413-R477 WeakPolarHBondContact O-CD 3.18Å; K413-R477 PolarHBondContact O-NH1 3.19Å; V416-R477 HydrophobicContact CB-CB 4.45Å; V416-R477 HydrophobicContact CG1-CB 3.84Å; C469-R477 VanDerWaalsContact O-CD 3.24Å; C469-R477 WeakPolarHBondContact O-CD 3.42Å; N471-R477 HydrophobicContact CB-CG 3.92Å; N471-R477 PolarHBondContact O-NE 2.95Å; N471-R477 PolarHBondContact O-NH2 2.94Å; P474-R477 WeakPolarHBondContact O-CB 3.38Å; P474-R477 PolarHBondContact O-N 2.82Å; K475-R477 VanDerWaalsContact C-N 3.29Å
478	P	98.4	Very high	96.3	Very high	18 Å²	18	53.9 Å²	53.9	12%	0.117	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63.3	166	-179.3	26.4	-34.6	0	0	0	112.5	K413 V416 E468 T482 L483	K413-P478 PolarHBondContact NZ-O 3.17Å; V416-P478 HydrophobicContact CG1-CG 4.31Å; V416-P478 WeakPolarHBondContact CG2-O 3.34Å; E468-P478 HydrophobicContact CB-CG 4.31Å; P478-T482 HydrophobicContact CB-CG2 4.21Å; P478-L483 HydrophobicContact CB-CD2 4.33Å; P478-L483 HydrophobicContact CB-CG 4.12Å; P478-L483 HydrophobicContact CG-CD1 4.06Å; P478-L483 HydrophobicContact CG-CD2 3.65Å; P478-L483 HydrophobicContact CG-CG 3.76Å
479	T	98.5	Very high	95.7	Very high	45 Å²	45	54.3 Å²	54.3	28%	0.276	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-78.3	159.6	165.7	59.9	0	0	0	0	110	E481 T482 L483	T479-E481 VanDerWaalsContact C-N 3.25Å; T479-E481 PolarHBondContact O-N 2.94Å; T479-T482 PolarHBondContact O-N 2.85Å; T479-T482 WeakPolarHBondContact OG1-CB 3.5Å; T479-T482 PolarHBondContact OG1-N 2.92Å; T479-T482 VanDerWaalsContact OG1-N 3.12Å; T479-T482 PolarHBondContact OG1-OG1 2.9Å; T479-L483 WeakPolarHBondContact O-CG 3.39Å; T479-L483 PolarHBondContact O-N 2.79Å
480	F	98.5	Very high	95.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-32	174.4	-84.3	-70.7	0	0	0	111.9	M342 A343 E346 L355 I412 D415 V416 F419 L483 H484	M342-F480 HydrophobicContact CB-CB 4.22Å; M342-F480 HydrophobicContact CB-CD1 3.33Å; M342-F480 HydrophobicContact CB-CD2 3.79Å; M342-F480 HydrophobicContact CB-CE1 3.41Å; M342-F480 VanDerWaalsContact CB-CE1 3.41Å; M342-F480 HydrophobicContact CB-CE2 3.87Å; M342-F480 HydrophobicContact CB-CG 3.52Å; M342-F480 HydrophobicContact CB-CZ 3.69Å; M342-F480 HydrophobicContact CE-CE2 3.73Å; M342-F480 HydrophobicContact CE-CZ 3.71Å; M342-F480 HydrophobicContact CG-CD1 4.19Å; M342-F480 HydrophobicContact CG-CE1 3.78Å; M342-F480 HydrophobicContact CG-CE2 4.48Å; M342-F480 HydrophobicContact CG-CZ 3.94Å; A343-F480 HydrophobicContact CB-CB 3.86Å; E346-F480 PolarHBondContact OE2-N 2.76Å; L355-F480 HydrophobicContact CD2-CE1 4.38Å; L355-F480 HydrophobicContact CD2-CZ 4.16Å; I412-F480 HydrophobicContact CD1-CD2 3.78Å; I412-F480 HydrophobicContact CD1-CE2 3.7Å; I412-F480 HydrophobicContact CG1-CD2 3.87Å; I412-F480 HydrophobicContact CG1-CE2 4Å; D415-F480 HydrophobicContact CB-CE2 3.89Å; D415-F480 HydrophobicContact CB-CZ 4.06Å; V416-F480 HydrophobicContact CG2-CD2 3.88Å; V416-F480 HydrophobicContact CG2-CE2 3.61Å; V416-F480 HydrophobicContact CG2-CG 4.43Å; V416-F480 HydrophobicContact CG2-CZ 3.96Å; F419-F480 HydrophobicContact CB-CE1 3.67Å; F419-F480 HydrophobicContact CB-CZ 4.01Å; F419-F480 HydrophobicContact CD1-CE1 4.29Å; F419-F480 AromaticContact CD2-CE1 3.98Å; F419-F480 HydrophobicContact CD2-CE1 3.98Å; F419-F480 AromaticContact CG-CE1 3.73Å; F419-F480 HydrophobicContact CG-CE1 3.73Å; F480-L483 HydrophobicContact CD1-CD1 4.03Å; F480-L483 HydrophobicContact CE1-CD1 4.36Å; F480-L483 PolarHBondContact O-N 2.82Å; F480-H484 WeakPolarHBondContact O-CB 3.28Å; F480-H484 PolarHBondContact O-N 2.85Å
481	E	96.6	Very high	94.2	Very high	118 Å²	118	59.6 Å²	59.6	55%	0.551	29%	0.292	S	S	*	.	H	α-helix	trans	-55.2	-53.1	169	-178.3	176.2	-149.1	0	0	110.8	T479 L483 H484 W485	T479-E481 VanDerWaalsContact C-N 3.25Å; T479-E481 PolarHBondContact O-N 2.94Å; E481-L483 VanDerWaalsContact C-N 3.29Å; E481-L483 PolarHBondContact O-N 3.12Å; E481-H484 WeakPolarHBondContact O-CB 3.35Å; E481-H484 PolarHBondContact O-N 2.95Å; E481-H484 VanDerWaalsContact O-N 3.12Å; E481-W485 PolarHBondContact O-N 2.98Å; E481-W485 VanDerWaalsContact O-N 3.07Å
482	T	97.4	Very high	92.9	Very high	58 Å²	58	62.2 Å²	62.2	36%	0.356	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-41.8	178.5	-58.6	0	0	0	0	112.1	P478 T479 K486	P478-T482 HydrophobicContact CB-CG2 4.21Å; T479-T482 PolarHBondContact O-N 2.85Å; T479-T482 WeakPolarHBondContact OG1-CB 3.5Å; T479-T482 PolarHBondContact OG1-N 2.92Å; T479-T482 VanDerWaalsContact OG1-N 3.12Å; T479-T482 PolarHBondContact OG1-OG1 2.9Å; T482-K486 HydrophobicContact CG2-CD 4.4Å; T482-K486 WeakPolarHBondContact O-CG 3.49Å; T482-K486 PolarHBondContact O-N 3.06Å
483	L	98.3	Very high	90.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-41.6	177.3	-73.7	169	0	0	0	112.1	A339 V416 F419 I465 P478 T479 F480 E481 K486 L487	A339-L483 HydrophobicContact CB-CB 4.41Å; V416-L483 HydrophobicContact CG1-CD1 4.06Å; F419-L483 HydrophobicContact CD1-CD1 3.72Å; F419-L483 HydrophobicContact CE1-CB 4.31Å; F419-L483 HydrophobicContact CE1-CD1 3.97Å; F419-L483 HydrophobicContact CE1-CD2 4.35Å; F419-L483 HydrophobicContact CE1-CG 4.44Å; I465-L483 HydrophobicContact CG2-CD2 3.55Å; P478-L483 HydrophobicContact CB-CD2 4.33Å; P478-L483 HydrophobicContact CB-CG 4.12Å; P478-L483 HydrophobicContact CG-CD1 4.06Å; P478-L483 HydrophobicContact CG-CD2 3.65Å; P478-L483 HydrophobicContact CG-CG 3.76Å; T479-L483 WeakPolarHBondContact O-CG 3.39Å; T479-L483 PolarHBondContact O-N 2.79Å; F480-L483 HydrophobicContact CD1-CD1 4.03Å; F480-L483 HydrophobicContact CE1-CD1 4.36Å; F480-L483 PolarHBondContact O-N 2.82Å; E481-L483 VanDerWaalsContact C-N 3.29Å; E481-L483 PolarHBondContact O-N 3.12Å; L483-K486 PolarHBondContact O-N 3.13Å; L483-L487 WeakPolarHBondContact O-CB 3.34Å; L483-L487 WeakPolarHBondContact O-CD1 2.9Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.46Å; L483-L487 PolarHBondContact O-N 3.08Å; L483-L487 VanDerWaalsContact O-N 3.09Å
484	H	96	Very high	88.4	Confident	28 Å²	28	69.1 Å²	69.1	13%	0.13	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-51.5	176.7	178.9	-120.8	0	0	0	111.1	A336 A339 F480 E481 K486 L487 E488	A336-H484 PolarHBondContact O-CD2 3.37Å; A336-H484 VanDerWaalsContact O-CD2 3.25Å; A339-H484 HydrophobicContact CB-CB 4.02Å; F480-H484 WeakPolarHBondContact O-CB 3.28Å; F480-H484 PolarHBondContact O-N 2.85Å; E481-H484 WeakPolarHBondContact O-CB 3.35Å; E481-H484 PolarHBondContact O-N 2.95Å; E481-H484 VanDerWaalsContact O-N 3.12Å; H484-K486 PolarHBondContact O-N 3.43Å; H484-L487 PolarHBondContact O-N 3.24Å; H484-L487 VanDerWaalsContact O-N 3.11Å; H484-E488 IonicContact CE1-OE1 2.62Å; H484-E488 IonicContact CE1-OE2 3.6Å; H484-E488 PolarHBondContact CE1-OE2 3.08Å; H484-E488 IonicContact ND1-OE2 2.7Å; H484-E488 IonicContact NE2-OE1 3.27Å; H484-E488 IonicContact NE2-OE2 3.68Å; H484-E488 PolarHBondContact O-N 3.34Å
485	W	89.9	Confident	86.1	Confident	141 Å²	141	73 Å²	73	53%	0.534	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-48.1	176.5	-72.1	106.3	0	0	0	112.4	E481 L487 E488 D489	E481-W485 PolarHBondContact O-N 2.98Å; E481-W485 VanDerWaalsContact O-N 3.07Å; W485-L487 PolarHBondContact O-N 3.2Å; W485-E488 PolarHBondContact O-N 3.25Å; W485-D489 PolarHBondContact O-N 3.35Å
486	K	93.7	Very high	84.1	Confident	79 Å²	79	69 Å²	69	34%	0.343	36%	0.357	S	S	.	.	H	α-helix	trans	-58.9	-32.1	177.9	-77.2	-175.2	177	-171.2	0	113.5	E468 T482 L483 H484 Y490	E468-K486 IonicContact OE1-NZ 3.59Å; E468-K486 PolarHBondContact OE1-NZ 3.41Å; E468-K486 IonicContact OE2-NZ 2.99Å; E468-K486 PolarHBondContact OE2-NZ 3.26Å; T482-K486 HydrophobicContact CG2-CD 4.4Å; T482-K486 WeakPolarHBondContact O-CG 3.49Å; T482-K486 PolarHBondContact O-N 3.06Å; L483-K486 PolarHBondContact O-N 3.13Å; H484-K486 PolarHBondContact O-N 3.43Å; K486-Y490 PolarHBondContact O-N 2.82Å
487	L	94	Very high	82.2	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-87.4	-32.3	-178.3	-70.3	164.9	0	0	0	112.3	V332 A335 A336 A339 F419 F462 I465 L483 H484 W485 Y490	V332-L487 HydrophobicContact CG1-CD2 4.32Å; V332-L487 VanDerWaalsContact CG1-O 3.27Å; V332-L487 WeakPolarHBondContact CG1-O 3.18Å; A335-L487 HydrophobicContact CB-CD1 3.83Å; A335-L487 HydrophobicContact CB-CD2 4.02Å; A336-L487 HydrophobicContact CB-CB 3.79Å; A339-L487 HydrophobicContact CB-CD1 4.12Å; F419-L487 HydrophobicContact CE1-CD1 4.06Å; F419-L487 HydrophobicContact CZ-CD1 3.71Å; F462-L487 HydrophobicContact CD2-CD2 4.4Å; F462-L487 HydrophobicContact CE2-CD2 3.95Å; I465-L487 HydrophobicContact CD1-CD2 3.94Å; I465-L487 HydrophobicContact CD1-CG 4.47Å; L483-L487 WeakPolarHBondContact O-CB 3.34Å; L483-L487 WeakPolarHBondContact O-CD1 2.9Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.46Å; L483-L487 PolarHBondContact O-N 3.08Å; L483-L487 VanDerWaalsContact O-N 3.09Å; H484-L487 PolarHBondContact O-N 3.24Å; H484-L487 VanDerWaalsContact O-N 3.11Å; W485-L487 PolarHBondContact O-N 3.2Å; L487-Y490 WeakPolarHBondContact O-CB 3.48Å
488	E	86.4	Confident	80.3	Confident	69 Å²	69	69 Å²	69	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-46.8	170.2	-76.2	-162.7	119.7	0	0	111.1	R122 H484 W485 Y490	R122-E488 IonicContact CZ-OE1 2.78Å; R122-E488 IonicContact NE-OE1 2.74Å; R122-E488 IonicContact NH2-OE1 2.83Å; R122-E488 PolarHBondContact NH2-OE1 3.41Å; H484-E488 IonicContact CE1-OE1 2.62Å; H484-E488 IonicContact CE1-OE2 3.6Å; H484-E488 PolarHBondContact CE1-OE2 3.08Å; H484-E488 IonicContact ND1-OE2 2.7Å; H484-E488 IonicContact NE2-OE1 3.27Å; H484-E488 IonicContact NE2-OE2 3.68Å; H484-E488 PolarHBondContact O-N 3.34Å; W485-E488 PolarHBondContact O-N 3.25Å; E488-Y490 PolarHBondContact O-N 3.5Å
489	D	85.3	Confident	78.2	Confident	76 Å²	76	72.8 Å²	72.8	41%	0.406	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-84.7	7.8	-175.8	-62.7	-10.6	0	0	0	113.1	W485 F491 E492	W485-D489 PolarHBondContact O-N 3.35Å; D489-F491 PolarHBondContact O-N 3.04Å; D489-E492 PolarHBondContact O-N 3.08Å
490	Y	87.1	Confident	75.9	Confident	17 Å²	17	71.3 Å²	71.3	7%	0.067	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-56.9	-33.7	-168.4	-172.8	-86.8	0	0	0	113.8	L328 V332 P459 Q461 F462 I465 K486 L487 E488	L328-Y490 HydrophobicContact CD2-CE1 4.48Å; V332-Y490 HydrophobicContact CG1-CD1 4.15Å; V332-Y490 HydrophobicContact CG1-CD2 4.45Å; V332-Y490 HydrophobicContact CG1-CG 3.82Å; V332-Y490 HydrophobicContact CG2-CD1 3.78Å; V332-Y490 HydrophobicContact CG2-CD2 4.42Å; V332-Y490 HydrophobicContact CG2-CE1 3.96Å; V332-Y490 HydrophobicContact CG2-CG 4.05Å; P459-Y490 WeakPolarHBondContact CB-OH 3.49Å; Q461-Y490 HydrophobicContact CB-CE2 4.15Å; Q461-Y490 HydrophobicContact CG-CD2 4.43Å; Q461-Y490 HydrophobicContact CG-CE2 3.78Å; F462-Y490 HydrophobicContact CB-CE2 4.12Å; F462-Y490 AromaticContact CD2-CE2 3.99Å; F462-Y490 HydrophobicContact CD2-CE2 3.99Å; F462-Y490 PolarHBondContact N-OH 3.38Å; I465-Y490 HydrophobicContact CD1-CD2 4.35Å; I465-Y490 HydrophobicContact CD1-CE2 4.39Å; K486-Y490 PolarHBondContact O-N 2.82Å; L487-Y490 WeakPolarHBondContact O-CB 3.48Å; E488-Y490 PolarHBondContact O-N 3.5Å
491	F	80.5	Confident	73.5	Confident	97 Å²	97	76.3 Å²	76.3	43%	0.425	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-104.8	-0.7	180	-61.8	-74.1	0	0	0	113.8	L328 T329 V332 D489 T493	L328-F491 HydrophobicContact CD2-CE1 4.21Å; L328-F491 HydrophobicContact CD2-CZ 4.31Å; L328-F491 HydrophobicContact CG-CZ 4.12Å; T329-F491 HydrophobicContact CG2-CE1 4.17Å; T329-F491 HydrophobicContact CG2-CE2 3.98Å; T329-F491 HydrophobicContact CG2-CZ 3.75Å; V332-F491 HydrophobicContact CB-CE2 3.88Å; V332-F491 HydrophobicContact CB-CZ 4.32Å; V332-F491 HydrophobicContact CG1-CE2 3.98Å; V332-F491 HydrophobicContact CG2-CE2 4.01Å; V332-F491 HydrophobicContact CG2-CZ 3.98Å; D489-F491 PolarHBondContact O-N 3.04Å; F491-T493 PolarHBondContact O-N 3.28Å
492	E	70.6	Confident	71	Confident	116 Å²	116	76.7 Å²	76.7	54%	0.542	40%	0.404	S	S	.	.			trans	-74	96.3	-177.5	-65.3	-155.2	160.3	0	0	110.4	D489	D489-E492 PolarHBondContact O-N 3.08Å
493	T	51.9	Low	68.6	Low	110 Å²	110	79.9 Å²	79.9	68%	0.675	41%	0.413	S	S	*	.			trans	-122.5	133.2	159.3	34	0	0	0	0	107.1	F491 S495	F491-T493 PolarHBondContact O-N 3.28Å; T493-S495 PolarHBondContact O-N 3.41Å
494	D	44.5	Very low	65.6	Low	184 Å²	184	84.2 Å²	84.2	98%	0.984	44%	0.436	S	S	*	.	S	Bend	trans	-44.9	11	-164.5	-91.7	-38.4	0	0	0	120.9
495	S	47.6	Very low	62.6	Low	110 Å²	110	98 Å²	98	77%	0.769	49%	0.487	S	S	*	.			trans	-106.5	9.7	-164.1	63.7	0	0	0	0	117.2	T493	T493-S495 PolarHBondContact O-N 3.41Å
496	S	54.4	Low	61.2	Low	62 Å²	62	95.9 Å²	95.9	43%	0.434	48%	0.484	S	S	.	.			trans	-99	-0.1	-158.7	75.3	0	0	0	0	118	R123	R123-S496 VanDerWaalsContact NH1-CB 3.34Å; R123-S496 PolarHBondContact NH1-O 3.13Å; R123-S496 PolarHBondContact NH1-OG 2.9Å; R123-S496 VanDerWaalsContact NH1-OG 3.1Å; R123-S496 PolarHBondContact NH2-O 2.83Å
497	Y	59	Low	59.5	Low	68 Å²	68	96.8 Å²	96.8	27%	0.267	49%	0.492	S	S	.	.	S	Bend	trans	-102.7	138.5	179.9	-73.1	-84.4	0	0	0	112.5	H164 R166 D499	H164-Y497 HydrophobicContact CB-CD1 4.48Å; R166-Y497 HydrophobicContact CB-CD1 4.29Å; Y497-D499 PolarHBondContact O-N 3.45Å
498	S	57.3	Low	57.6	Low	50 Å²	50	102 Å²	102	35%	0.35	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-79.4	118.8	176	-64.6	0	0	0	0	110.7	H164 A500	H164-S498 PolarHBondContact O-N 3.19Å; S498-A500 PolarHBondContact O-N 2.82Å
499	D	55.2	Low	55.9	Low	98 Å²	98	103.9 Å²	103.9	52%	0.524	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-70.4	117.3	172.5	-96.4	-30.8	0	0	0	110.5	Y497 N501 N502	Y497-D499 PolarHBondContact O-N 3.45Å; D499-N501 PolarHBondContact O-N 3.15Å; D499-N502 PolarHBondContact O-N 2.98Å
500	A	50.3	Low	54	Low	13 Å²	13	105.7 Å²	105.7	11%	0.107	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-60.1	-14.4	175.5	0	0	0	0	0	113.1	T178 S498 N502	T178-A500 HydrophobicContact CG2-CB 3.88Å; S498-A500 PolarHBondContact O-N 2.82Å; A500-N502 VanDerWaalsContact C-N 3.29Å; A500-N502 PolarHBondContact O-N 3.42Å
501	N	47.3	Very low	51.8	Low	106 Å²	106	111.6 Å²	111.6	57%	0.567	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-72.6	-17.4	174.4	-71.9	-22.2	0	0	0	113.7	D499	D499-N501 PolarHBondContact O-N 3.15Å
502	N	45.1	Very low	49.8	Very low	125 Å²	125	112.6 Å²	112.6	67%	0.668	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-84	-8.4	-173.9	-72	-19.2	0	0	0	114.6	D499 A500	D499-N502 PolarHBondContact O-N 2.98Å; A500-N502 VanDerWaalsContact C-N 3.29Å; A500-N502 PolarHBondContact O-N 3.42Å
503	F	45.6	Very low	48.2	Very low	125 Å²	125	112.4 Å²	112.4	55%	0.548	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-113.1	10.4	-176.3	-65.4	-78.2	0	0	0	114.1
504	I	35.5	Very low	47.9	Very low	92 Å²	92	112.6 Å²	112.6	47%	0.472	57%	0.574	S	S	.	*			trans	-93.3	100.9	174.9	-54.6	174.2	0	0	0	107.9
505	R	32.7	Very low	48.2	Very low	318 Å²	318	106.1 Å²	106.1	100%	1.2	54%	0.537	S	S	*	.			trans	-102.5	0	157.5	-90.7	-168.6	178.7	-173.5	0.6	109.5

Retrieved 505 of 505 residues in 1197.4 ms (Link to these results)

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