A0A077Z210_TRITR Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A077Z210, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	33	Very low	228 Å²	228	105 Å²	105	100%	1.123	61%	0.608	S	S	*	*				0	91.3	0	-67.7	-177.2	-166.5	0	0	105.9
2	D	28.3	Very low	32.5	Very low	168 Å²	168	102.3 Å²	102.3	90%	0.898	60%	0.595	S	S	*	*			trans	-77.8	127.3	-175.4	-102.5	-33.5	0	0	0	110.7	N4	D2-N4 VanDerWaalsContact C-N 3.3Å; D2-N4 PolarHBondContact O-N 2.64Å
3	H	31.9	Very low	31.9	Very low	161 Å²	161	101.6 Å²	101.6	75%	0.745	60%	0.599	S	S	*	*	S	Bend	trans	-81.1	5.3	-166.9	-92.6	-74.6	0	0	0	115.3
4	N	34.2	Very low	31.8	Very low	129 Å²	129	104.4 Å²	104.4	69%	0.69	60%	0.6	S	S	*	*			trans	-142.9	75.6	-177.2	-87.6	-25.1	0	0	0	111.4	D2 I6	D2-N4 VanDerWaalsContact C-N 3.3Å; D2-N4 PolarHBondContact O-N 2.64Å; N4-I6 PolarHBondContact O-N 2.7Å
5	S	35.3	Very low	31.2	Very low	63 Å²	63	105 Å²	105	44%	0.441	61%	0.607	S	S	.	*			trans	-75.1	73.9	167	50.2	0	0	0	0	110.3
6	I	32.3	Very low	30.7	Very low	95 Å²	95	109.1 Å²	109.1	49%	0.487	63%	0.625	S	S	.	*	B	Isolated β-bridge	trans	-79.6	114.4	161.4	-61.8	174.8	0	0	0	106	N4 N8	N4-I6 PolarHBondContact O-N 2.7Å; I6-N8 VanDerWaalsContact C-N 3.35Å; I6-N8 PolarHBondContact O-N 2.97Å
7	V	40.1	Very low	30.5	Very low	57 Å²	57	108.2 Å²	108.2	35%	0.345	63%	0.634	S	S	.	*			trans	-68.5	98.1	169.4	179.6	0	0	0	0	107.3	C9 V62 S66	V7-C9 PolarHBondContact O-N 2.75Å; V7-C9 VanDerWaalsContact O-N 3.13Å; V7-V62 HydrophobicContact CG2-CG1 4.4Å; V7-V62 HydrophobicContact CG2-CG2 3.72Å; V7-S66 WeakPolarHBondContact O-CB 3.46Å
8	N	33.1	Very low	30.1	Very low	103 Å²	103	105 Å²	105	55%	0.551	63%	0.628	S	S	*	*			trans	-77	95.5	174.4	-172	-0	0	0	0	109.3	I6 G10	I6-N8 VanDerWaalsContact C-N 3.35Å; I6-N8 PolarHBondContact O-N 2.97Å; N8-G10 PolarHBondContact O-N 3.06Å; N8-G10 PolarHBondContact OD1-N 3.37Å
9	C	36.3	Very low	29.8	Very low	41 Å²	41	106.7 Å²	106.7	28%	0.277	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-64.7	-13.6	175.3	-58.3	0	0	0	0	113.3	V7 G11	V7-C9 PolarHBondContact O-N 2.75Å; V7-C9 VanDerWaalsContact O-N 3.13Å; C9-G11 VanDerWaalsContact C-N 3.33Å; C9-G11 PolarHBondContact O-N 2.97Å
10	G	33.7	Very low	29.7	Very low	54 Å²	54	108.9 Å²	108.9	56%	0.557	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-82	-2	-176.5	0	0	0	0	0	115.6	N8	N8-G10 PolarHBondContact O-N 3.06Å; N8-G10 PolarHBondContact OD1-N 3.37Å
11	G	26.4	Very low	29.4	Very low	56 Å²	56	112.4 Å²	112.4	58%	0.577	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-135.4	16.5	-175.1	0	0	0	0	0	114.7	C9 S13	C9-G11 VanDerWaalsContact C-N 3.33Å; C9-G11 PolarHBondContact O-N 2.97Å; G11-S13 PolarHBondContact O-N 3.28Å
12	V	27.7	Very low	29.2	Very low	73 Å²	73	112.8 Å²	112.8	44%	0.442	65%	0.647	S	S	.	*			trans	-77.2	74.5	-178.8	-158.1	0	0	0	0	110.1	F14	V12-F14 HydrophobicContact CB-CD2 4.29Å; V12-F14 HydrophobicContact CB-CE2 3.83Å; V12-F14 HydrophobicContact CB-CZ 4.04Å; V12-F14 HydrophobicContact CG1-CD1 3.78Å; V12-F14 HydrophobicContact CG1-CD2 3.74Å; V12-F14 HydrophobicContact CG1-CE1 3.45Å; V12-F14 VanDerWaalsContact CG1-CE1 3.45Å; V12-F14 HydrophobicContact CG1-CE2 3.4Å; V12-F14 VanDerWaalsContact CG1-CE2 3.4Å; V12-F14 HydrophobicContact CG1-CG 3.93Å; V12-F14 HydrophobicContact CG1-CZ 3.26Å; V12-F14 VanDerWaalsContact O-CD2 3.29Å; V12-F14 WeakPolarHBondContact O-CD2 2.97Å; V12-F14 PolarHBondContact O-N 3.35Å
13	S	24.2	Very low	29.3	Very low	93 Å²	93	110.6 Å²	110.6	65%	0.65	64%	0.642	S	S	*	*			trans	-65	101.3	154.1	169.4	0	0	0	0	106.8	G11 T15	G11-S13 PolarHBondContact O-N 3.28Å; S13-T15 VanDerWaalsContact C-N 3.25Å; S13-T15 PolarHBondContact O-N 3.23Å
14	F	30.1	Very low	29.2	Very low	140 Å²	140	108.2 Å²	108.2	61%	0.614	65%	0.65	S	S	*	*			trans	-76.3	80.6	176.6	-69.3	-86.4	0	0	0	109.2	V12 N16 F39	V12-F14 HydrophobicContact CB-CD2 4.29Å; V12-F14 HydrophobicContact CB-CE2 3.83Å; V12-F14 HydrophobicContact CB-CZ 4.04Å; V12-F14 HydrophobicContact CG1-CD1 3.78Å; V12-F14 HydrophobicContact CG1-CD2 3.74Å; V12-F14 HydrophobicContact CG1-CE1 3.45Å; V12-F14 VanDerWaalsContact CG1-CE1 3.45Å; V12-F14 HydrophobicContact CG1-CE2 3.4Å; V12-F14 VanDerWaalsContact CG1-CE2 3.4Å; V12-F14 HydrophobicContact CG1-CG 3.93Å; V12-F14 HydrophobicContact CG1-CZ 3.26Å; V12-F14 VanDerWaalsContact O-CD2 3.29Å; V12-F14 WeakPolarHBondContact O-CD2 2.97Å; V12-F14 PolarHBondContact O-N 3.35Å; F14-N16 PolarHBondContact O-N 2.95Å; F14-F39 HydrophobicContact CB-CD1 4.08Å; F14-F39 HydrophobicContact CB-CE1 3.89Å; F14-F39 HydrophobicContact CD1-CD1 4.49Å; F14-F39 AromaticContact CD1-CE1 3.57Å; F14-F39 HydrophobicContact CD1-CE1 3.57Å; F14-F39 HydrophobicContact CD1-CZ 4.04Å; F14-F39 AromaticContact CD2-CD1 3.72Å; F14-F39 HydrophobicContact CD2-CD1 3.72Å; F14-F39 AromaticContact CD2-CE1 3.48Å; F14-F39 HydrophobicContact CD2-CE1 3.48Å; F14-F39 VanDerWaalsContact CD2-CE1 3.48Å; F14-F39 AromaticContact CE1-CE1 3.85Å; F14-F39 HydrophobicContact CE1-CE1 3.85Å; F14-F39 HydrophobicContact CE1-CZ 4.37Å; F14-F39 HydrophobicContact CE2-CD1 4.22Å; F14-F39 AromaticContact CE2-CE1 3.77Å; F14-F39 HydrophobicContact CE2-CE1 3.77Å; F14-F39 AromaticContact CG-CD1 3.86Å; F14-F39 HydrophobicContact CG-CD1 3.86Å; F14-F39 AromaticContact CG-CE1 3.36Å; F14-F39 HydrophobicContact CG-CE1 3.36Å; F14-F39 HydrophobicContact CG-CZ 4.18Å; F14-F39 AromaticContact CZ-CE1 3.93Å; F14-F39 HydrophobicContact CZ-CE1 3.93Å
15	T	23.4	Very low	29.2	Very low	114 Å²	114	105.8 Å²	105.8	70%	0.699	64%	0.644	S	S	*	*			trans	-74	119	169.5	54.8	0	0	0	0	109.2	S13 A17	S13-T15 VanDerWaalsContact C-N 3.25Å; S13-T15 PolarHBondContact O-N 3.23Å; T15-A17 PolarHBondContact O-N 3.06Å
16	N	23.6	Very low	29.2	Very low	170 Å²	170	114.5 Å²	114.5	91%	0.909	67%	0.667	S	S	*	*			trans	0.7	80.5	165.4	-81.4	-18.6	0	0	0	115.5	F14 G18	F14-N16 PolarHBondContact O-N 2.95Å; N16-G18 PolarHBondContact O-N 3.13Å
17	A	26.5	Very low	29.4	Very low	94 Å²	94	120.2 Å²	120.2	78%	0.777	68%	0.682	S	S	*	*			trans	-77.6	114.2	166.2	0	0	0	0	0	107.6	T15	T15-A17 PolarHBondContact O-N 3.06Å
18	G	23.7	Very low	29.2	Very low	51 Å²	51	122.3 Å²	122.3	53%	0.526	70%	0.695	S	S	.	*			trans	-55.8	164.1	174.4	0	0	0	0	0	112.7	N16 I20	N16-G18 PolarHBondContact O-N 3.13Å; G18-I20 PolarHBondContact O-N 2.89Å
19	P	24.9	Very low	29.9	Very low	138 Å²	138	119.3 Å²	119.3	90%	0.896	68%	0.681	S	S	*	*			trans	-63.4	106.3	-173.3	25.6	-32.3	0	0	0	110.8
20	I	27.6	Very low	30.5	Very low	149 Å²	149	120.8 Å²	120.8	76%	0.764	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-77.7	126.3	169.7	-62.8	173.2	0	0	0	108.1	G18	G18-I20 PolarHBondContact O-N 2.89Å
21	E	23.7	Very low	31.2	Very low	183 Å²	183	121.2 Å²	121.2	86%	0.855	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-52.8	133.6	177.4	-73.5	-174.8	144.7	0	0	112.2	P23	E21-P23 WeakPolarHBondContact O-CD 3.42Å
22	R	27	Very low	32.1	Very low	237 Å²	237	121.4 Å²	121.4	89%	0.894	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-83.1	118.2	-173.1	-64.5	176.4	176	-173.3	-0.7	110.7	A24	R22-A24 PolarHBondContact O-N 3.3Å
23	P	29	Very low	32.6	Very low	121 Å²	121	122.2 Å²	122.2	79%	0.786	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-72.6	130	164.7	28.4	-30.2	0	0	0	109.8	E21 S25	E21-P23 WeakPolarHBondContact O-CD 3.42Å; P23-S25 VanDerWaalsContact C-N 3.3Å; P23-S25 PolarHBondContact O-N 3.48Å
24	A	29.5	Very low	33.4	Very low	111 Å²	111	127.6 Å²	127.6	92%	0.917	69%	0.69	S	S	*	*	S	Bend	trans	-79.4	37.9	-163.7	0	0	0	0	0	116.3	R22	R22-A24 PolarHBondContact O-N 3.3Å
25	S	35.3	Very low	34.2	Very low	79 Å²	79	129.6 Å²	129.6	55%	0.552	69%	0.694	S	S	*	*			trans	-126.7	110.1	171.9	87.8	0	0	0	0	112.6	P23 R27	P23-S25 VanDerWaalsContact C-N 3.3Å; P23-S25 PolarHBondContact O-N 3.48Å; S25-R27 PolarHBondContact O-N 3.09Å
26	R	34.1	Very low	35.2	Very low	246 Å²	246	130 Å²	130	93%	0.928	70%	0.701	S	S	*	*			trans	-68.3	77.6	169.2	-102.2	178.2	172.1	172.3	-2.1	108.5	T28	R26-T28 PolarHBondContact O-N 3.05Å
27	R	37.1	Very low	36.4	Very low	214 Å²	214	125.6 Å²	125.6	81%	0.808	68%	0.683	S	S	*	*			trans	-79.8	101.1	167.8	-78.2	-174.6	176.9	178.7	-0.5	108.8	S25	S25-R27 PolarHBondContact O-N 3.09Å
28	T	36.8	Very low	37.4	Very low	101 Å²	101	129.9 Å²	129.9	62%	0.62	68%	0.679	S	S	*	*			trans	-69.2	118.4	158.4	48.2	0	0	0	0	107.5	R26	R26-T28 PolarHBondContact O-N 3.05Å
29	V	47.8	Very low	38.7	Very low	41 Å²	41	133.5 Å²	133.5	25%	0.248	68%	0.68	C	S	.	*	S	Bend	trans	-92.5	125.2	167.4	-179.8	0	0	0	0	106.3	G31	V29-G31 PolarHBondContact O-N 3.4Å; V29-G31 VanDerWaalsContact O-N 3.08Å
30	N	48.9	Very low	40	Very low	72 Å²	72	129 Å²	129	39%	0.385	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	56.5	23.4	179.1	-58.9	-30	0	0	0	116.5	L32 D102	N30-L32 VanDerWaalsContact C-N 3.35Å; N30-L32 PolarHBondContact O-N 3.24Å; N30-D102 PolarHBondContact ND2-OD2 2.79Å
31	G	46.8	Very low	41.4	Very low	62 Å²	62	123.7 Å²	123.7	64%	0.639	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.7	10.5	172.6	0	0	0	0	0	115.9	V29	V29-G31 PolarHBondContact O-N 3.4Å; V29-G31 VanDerWaalsContact O-N 3.08Å
32	L	46.2	Very low	42.9	Very low	61 Å²	61	120.3 Å²	120.3	32%	0.319	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-91.5	131.2	-178.3	-67.8	164.8	0	0	0	112	N30 F79	N30-L32 VanDerWaalsContact C-N 3.35Å; N30-L32 PolarHBondContact O-N 3.24Å; L32-F79 HydrophobicContact CD1-CE1 3.44Å; L32-F79 VanDerWaalsContact CD1-CE1 3.44Å; L32-F79 HydrophobicContact CD1-CZ 3.86Å
33	P	37.4	Very low	44.6	Very low	89 Å²	89	116.6 Å²	116.6	58%	0.578	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-76	140.4	-179.5	28	-31.9	0	0	0	112.7
34	R	41.4	Very low	46	Very low	206 Å²	206	112.7 Å²	112.7	78%	0.777	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.2	170.9	-92.9	-178.1	155.5	158.4	-5.5	111
35	R	48.1	Very low	47.3	Very low	182 Å²	182	113.1 Å²	113.1	69%	0.687	57%	0.569	S	S	*	*			trans	-123	133.8	174.6	-67.7	-178.8	171.1	-175.1	-5.6	110.7	E55	R35-E55 IonicContact CZ-OE1 3.79Å; R35-E55 IonicContact NH1-OE1 2.72Å; R35-E55 PolarHBondContact NH1-OE1 2.87Å
36	S	43.8	Very low	48.9	Very low	123 Å²	123	113.7 Å²	113.7	86%	0.86	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-84.2	134	-178.6	55.9	0	0	0	0	111.2
37	C	48.3	Very low	50.6	Low	77 Å²	77	105.8 Å²	105.8	52%	0.52	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-86.5	147.6	169.3	-162.6	0	0	0	0	110.6
38	R	47.3	Very low	51.7	Low	185 Å²	185	98.8 Å²	98.8	70%	0.698	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-100.8	129.5	169	176.8	177.9	168.2	180	-7	108.3	E44	R38-E44 IonicContact CZ-OE1 3.75Å; R38-E44 IonicContact NH2-OE1 3.19Å; R38-E44 PolarHBondContact NH2-OE1 2.74Å
39	F	51.2	Low	52.4	Low	126 Å²	126	99 Å²	99	55%	0.553	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-78.2	139.3	174.1	-59.5	-76.5	0	0	0	110.3	F14	F14-F39 HydrophobicContact CB-CD1 4.08Å; F14-F39 HydrophobicContact CB-CE1 3.89Å; F14-F39 HydrophobicContact CD1-CD1 4.49Å; F14-F39 AromaticContact CD1-CE1 3.57Å; F14-F39 HydrophobicContact CD1-CE1 3.57Å; F14-F39 HydrophobicContact CD1-CZ 4.04Å; F14-F39 AromaticContact CD2-CD1 3.72Å; F14-F39 HydrophobicContact CD2-CD1 3.72Å; F14-F39 AromaticContact CD2-CE1 3.48Å; F14-F39 HydrophobicContact CD2-CE1 3.48Å; F14-F39 VanDerWaalsContact CD2-CE1 3.48Å; F14-F39 AromaticContact CE1-CE1 3.85Å; F14-F39 HydrophobicContact CE1-CE1 3.85Å; F14-F39 HydrophobicContact CE1-CZ 4.37Å; F14-F39 HydrophobicContact CE2-CD1 4.22Å; F14-F39 AromaticContact CE2-CE1 3.77Å; F14-F39 HydrophobicContact CE2-CE1 3.77Å; F14-F39 AromaticContact CG-CD1 3.86Å; F14-F39 HydrophobicContact CG-CD1 3.86Å; F14-F39 AromaticContact CG-CE1 3.36Å; F14-F39 HydrophobicContact CG-CE1 3.36Å; F14-F39 HydrophobicContact CG-CZ 4.18Å; F14-F39 AromaticContact CZ-CE1 3.93Å; F14-F39 HydrophobicContact CZ-CE1 3.93Å
40	L	53.6	Low	52.9	Low	45 Å²	45	101.4 Å²	101.4	24%	0.236	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-82.2	142	169.1	-68.7	170.1	0	0	0	110.2	E44 L45 E49 T51	L40-E44 WeakPolarHBondContact CA-OE2 3.5Å; L40-E44 HydrophobicContact CB-CB 4.21Å; L40-E44 HydrophobicContact CD2-CB 3.77Å; L40-E44 HydrophobicContact CD2-CG 4.44Å; L40-L45 HydrophobicContact CD1-CD1 4.01Å; L40-E49 WeakPolarHBondContact CD1-O 3.18Å; L40-E49 HydrophobicContact CD2-CB 4.05Å; L40-T51 HydrophobicContact CD1-CG2 3.49Å; L40-T51 VanDerWaalsContact CD1-CG2 3.49Å; L40-T51 HydrophobicContact CD2-CG2 4.45Å; L40-T51 HydrophobicContact CG-CG2 3.55Å
41	S	56.2	Low	53.3	Low	36 Å²	36	100 Å²	100	25%	0.252	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-73.3	160	166.5	83.3	0	0	0	0	110.9	E43 E44 L45	S41-E43 PolarHBondContact O-N 2.87Å; S41-E43 PolarHBondContact OG-N 3.28Å; S41-E44 PolarHBondContact N-OE2 2.88Å; S41-E44 PolarHBondContact O-N 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.44Å; S41-E44 PolarHBondContact OG-N 2.95Å; S41-E44 VanDerWaalsContact OG-N 3.14Å; S41-L45 PolarHBondContact O-N 3.31Å
42	P	55.1	Low	54	Low	113 Å²	113	103.8 Å²	103.8	73%	0.734	57%	0.572	S	S	*	*	H	α-helix	trans	-55.7	-29.8	173	-25	34.4	0	0	0	113.4	A46	P42-A46 WeakPolarHBondContact O-CB 3.34Å; P42-A46 PolarHBondContact O-N 3.32Å
43	E	63	Low	55.3	Low	158 Å²	158	104.2 Å²	104.2	74%	0.738	57%	0.569	S	S	*	*	H	α-helix	trans	-74.4	-43.1	178.6	-63	156.1	173.8	0	0	111.3	S41 L45 A46 A47	S41-E43 PolarHBondContact O-N 2.87Å; S41-E43 PolarHBondContact OG-N 3.28Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.37Å; E43-A46 PolarHBondContact O-N 3Å; E43-A47 WeakPolarHBondContact O-CB 3.48Å; E43-A47 PolarHBondContact O-N 3.18Å
44	E	57.1	Low	57.5	Low	40 Å²	40	104.1 Å²	104.1	19%	0.187	56%	0.561	C	S	.	*	H	α-helix	trans	-62.2	-39.4	175.2	-68.2	170.6	150.8	0	0	110.4	R38 L40 S41 A47 G48 E49	R38-E44 IonicContact CZ-OE1 3.75Å; R38-E44 IonicContact NH2-OE1 3.19Å; R38-E44 PolarHBondContact NH2-OE1 2.74Å; L40-E44 WeakPolarHBondContact CA-OE2 3.5Å; L40-E44 HydrophobicContact CB-CB 4.21Å; L40-E44 HydrophobicContact CD2-CB 3.77Å; L40-E44 HydrophobicContact CD2-CG 4.44Å; S41-E44 PolarHBondContact N-OE2 2.88Å; S41-E44 PolarHBondContact O-N 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.44Å; S41-E44 PolarHBondContact OG-N 2.95Å; S41-E44 VanDerWaalsContact OG-N 3.14Å; E44-A47 PolarHBondContact O-N 3.41Å; E44-G48 PolarHBondContact O-N 3.4Å; E44-E49 HydrophobicContact CB-CB 4.34Å; E44-E49 HydrophobicContact CB-CG 4.42Å; E44-E49 WeakPolarHBondContact O-CB 3.33Å; E44-E49 PolarHBondContact O-N 3.46Å
45	L	57.8	Low	59.6	Low	120 Å²	120	97.7 Å²	97.7	63%	0.628	54%	0.54	S	S	*	.	H	α-helix	trans	-65.4	-41.5	174.9	-154.9	81.1	0	0	0	112.2	L40 S41 E43 A47 G48	L40-L45 HydrophobicContact CD1-CD1 4.01Å; S41-L45 PolarHBondContact O-N 3.31Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.37Å; L45-A47 VanDerWaalsContact C-N 3.28Å; L45-A47 PolarHBondContact O-N 3.1Å; L45-G48 PolarHBondContact O-N 3.44Å; L45-G48 VanDerWaalsContact O-N 3.16Å
46	A	68.8	Low	61.6	Low	91 Å²	91	91 Å²	91	75%	0.752	52%	0.518	S	S	*	.	H	α-helix	trans	-68.2	-28.1	176.4	0	0	0	0	0	112.7	P42 E43 G48	P42-A46 WeakPolarHBondContact O-CB 3.34Å; P42-A46 PolarHBondContact O-N 3.32Å; E43-A46 PolarHBondContact O-N 3Å; A46-G48 PolarHBondContact O-N 2.84Å
47	A	70.9	Confident	63.8	Low	80 Å²	80	89.2 Å²	89.2	66%	0.661	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.5	173.5	0	0	0	0	0	113.5	E43 E44 L45	E43-A47 WeakPolarHBondContact O-CB 3.48Å; E43-A47 PolarHBondContact O-N 3.18Å; E44-A47 PolarHBondContact O-N 3.41Å; L45-A47 VanDerWaalsContact C-N 3.28Å; L45-A47 PolarHBondContact O-N 3.1Å
48	G	60.2	Low	65.8	Low	66 Å²	66	86.3 Å²	86.3	68%	0.68	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	15.5	-179.3	0	0	0	0	0	113.9	E44 L45 A46 S50	E44-G48 PolarHBondContact O-N 3.4Å; L45-G48 PolarHBondContact O-N 3.44Å; L45-G48 VanDerWaalsContact O-N 3.16Å; A46-G48 PolarHBondContact O-N 2.84Å; G48-S50 PolarHBondContact O-N 3.5Å
49	E	51.3	Low	67.5	Low	106 Å²	106	83.4 Å²	83.4	50%	0.495	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-64.6	131.7	172.1	-65.4	-152.3	178.2	0	0	110.3	L40 E44	L40-E49 WeakPolarHBondContact CD1-O 3.18Å; L40-E49 HydrophobicContact CD2-CB 4.05Å; E44-E49 HydrophobicContact CB-CB 4.34Å; E44-E49 HydrophobicContact CB-CG 4.42Å; E44-E49 WeakPolarHBondContact O-CB 3.33Å; E44-E49 PolarHBondContact O-N 3.46Å
50	S	58.1	Low	68.9	Low	92 Å²	92	80.2 Å²	80.2	64%	0.643	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-98.1	140.1	171.1	-178.6	0	0	0	0	109.1	G48 N52	G48-S50 PolarHBondContact O-N 3.5Å; S50-N52 PolarHBondContact O-N 3.16Å
51	T	57.5	Low	70.6	Confident	41 Å²	41	81.7 Å²	81.7	25%	0.252	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-71.4	119.9	171	36.2	0	0	0	0	109.4	L40 W53	L40-T51 HydrophobicContact CD1-CG2 3.49Å; L40-T51 VanDerWaalsContact CD1-CG2 3.49Å; L40-T51 HydrophobicContact CD2-CG2 4.45Å; L40-T51 HydrophobicContact CG-CG2 3.55Å; T51-W53 VanDerWaalsContact CB-NE1 3.25Å; T51-W53 PolarHBondContact O-N 3.5Å; T51-W53 PolarHBondContact OG1-NE1 2.91Å
52	N	59.9	Low	72.3	Confident	142 Å²	142	80.1 Å²	80.1	76%	0.759	47%	0.468	S	S	*	.			trans	-73.8	24.7	176.4	-72.6	-34.8	0	0	0	113.7	S50 H54	S50-N52 PolarHBondContact O-N 3.16Å; N52-H54 PolarHBondContact O-CE1 2.73Å; N52-H54 VanDerWaalsContact O-CE1 3.31Å; N52-H54 PolarHBondContact O-ND1 3.49Å
53	W	75.1	Confident	74	Confident	70 Å²	70	80.3 Å²	80.3	27%	0.265	46%	0.455	S	S	.	.			trans	-77.1	130.5	175.3	55	-102.2	0	0	0	109.6	T51 L72 H74 L75	T51-W53 VanDerWaalsContact CB-NE1 3.25Å; T51-W53 PolarHBondContact O-N 3.5Å; T51-W53 PolarHBondContact OG1-NE1 2.91Å; W53-L72 HydrophobicContact CH2-CD1 3.64Å; W53-L72 HydrophobicContact CH2-CD2 3.87Å; W53-L72 HydrophobicContact CH2-CG 4.24Å; W53-L72 HydrophobicContact CZ3-CD1 4.05Å; W53-H74 AromaticContact CE3-NE2 3.72Å; W53-H74 AromaticContact CH2-NE2 3.57Å; W53-H74 AromaticContact CZ3-NE2 3.37Å; W53-H74 WeakPolarHBondContact CZ3-NE2 3.46Å; W53-H74 PolarHBondContact O-CD2 2.99Å; W53-H74 VanDerWaalsContact O-CD2 3.28Å; W53-L75 HydrophobicContact CE3-CD2 3.72Å; W53-L75 HydrophobicContact CZ3-CD1 4.46Å; W53-L75 HydrophobicContact CZ3-CD2 3.53Å; W53-L75 HydrophobicContact CZ3-CG 4.02Å
54	H	82.5	Confident	75.3	Confident	87 Å²	87	75.5 Å²	75.5	40%	0.403	43%	0.434	S	S	.	.			trans	-117.1	5.6	177.2	-60.5	75.1	0	0	0	110.9	N52 T76 A77	N52-H54 PolarHBondContact O-CE1 2.73Å; N52-H54 VanDerWaalsContact O-CE1 3.31Å; N52-H54 PolarHBondContact O-ND1 3.49Å; H54-T76 HydrophobicContact CB-CG2 4Å; H54-T76 WeakPolarHBondContact CB-OG1 3.48Å; H54-T76 WeakPolarHBondContact O-CA 3.21Å; H54-T76 PolarHBondContact O-N 3.43Å; H54-T76 PolarHBondContact O-OG1 3.12Å; H54-A77 PolarHBondContact O-N 2.73Å
55	E	86.4	Confident	77	Confident	72 Å²	72	74.7 Å²	74.7	34%	0.336	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.3	-175.5	-52.8	-176.8	-164.5	0	0	108.3	R35 A77	R35-E55 IonicContact CZ-OE1 3.79Å; R35-E55 IonicContact NH1-OE1 2.72Å; R35-E55 PolarHBondContact NH1-OE1 2.87Å; E55-A77 VanDerWaalsContact CA-O 3.31Å; E55-A77 WeakPolarHBondContact CA-O 3.28Å; E55-A77 HydrophobicContact CB-CB 4.1Å; E55-A77 HydrophobicContact CG-CB 3.83Å
56	L	89.5	Confident	78.5	Confident	42 Å²	42	69.6 Å²	69.6	22%	0.22	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133	176.3	176.5	64.3	0	0	0	110	I58 L69 L72 L75 A77 L78 F79	L56-I58 HydrophobicContact CD2-CD1 4.22Å; L56-I58 HydrophobicContact CD2-CG1 4.32Å; L56-I58 HydrophobicContact CG-CG1 4.16Å; L56-L69 HydrophobicContact CD2-CD1 3.45Å; L56-L69 VanDerWaalsContact CD2-CD1 3.45Å; L56-L72 HydrophobicContact CD2-CD1 4.23Å; L56-L75 HydrophobicContact CB-CD1 4.11Å; L56-L75 HydrophobicContact CB-CD2 3.83Å; L56-L75 HydrophobicContact CD2-CD1 4.16Å; L56-A77 PolarHBondContact N-O 2.65Å; L56-L78 HydrophobicContact CB-CD1 4.11Å; L56-L78 HydrophobicContact CD2-CD1 4.13Å; L56-L78 HydrophobicContact CG-CD1 4.18Å; L56-L78 WeakPolarHBondContact O-CA 3.44Å; L56-F79 PolarHBondContact O-N 3.37Å
57	E	90.8	Very high	79.5	Confident	84 Å²	84	70 Å²	70	39%	0.393	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126	174.7	179.5	169.5	-150.5	0	0	110	R59 F79	E57-R59 VanDerWaalsContact CD-NE 3.26Å; E57-R59 HydrophobicContact CG-CG 4.11Å; E57-R59 IonicContact OE1-CZ 3.72Å; E57-R59 IonicContact OE1-NE 2.84Å; E57-R59 PolarHBondContact OE1-NE 3.04Å; E57-R59 IonicContact OE1-NH2 3.89Å; E57-R59 PolarHBondContact OE1-NH2 3.18Å; E57-R59 IonicContact OE2-NE 3.21Å; E57-R59 IonicContact OE2-NH2 2.7Å; E57-F79 WeakPolarHBondContact CA-O 3.47Å; E57-F79 HydrophobicContact CB-CB 3.97Å; E57-F79 HydrophobicContact CB-CD2 4.35Å; E57-F79 HydrophobicContact CG-CB 3.88Å
58	I	89.2	Confident	80.3	Confident	16 Å²	16	70.4 Å²	70.4	8%	0.082	39%	0.388	C	S	.	.			trans	-115.4	124.2	178.7	-56.4	-178.6	0	0	0	108.4	L56 V62 L65 L69 F79 L80 N83	L56-I58 HydrophobicContact CD2-CD1 4.22Å; L56-I58 HydrophobicContact CD2-CG1 4.32Å; L56-I58 HydrophobicContact CG-CG1 4.16Å; I58-V62 HydrophobicContact CG2-CB 4.43Å; I58-V62 HydrophobicContact CG2-CG2 3.67Å; I58-L65 HydrophobicContact CD1-CD2 4.3Å; I58-L69 HydrophobicContact CD1-CD1 4.41Å; I58-L69 HydrophobicContact CD1-CD2 4.12Å; I58-F79 PolarHBondContact N-O 2.73Å; I58-L80 HydrophobicContact CB-CD2 3.92Å; I58-L80 HydrophobicContact CD1-CD2 3.87Å; I58-L80 HydrophobicContact CG1-CD2 4.11Å; I58-N83 PolarHBondContact O-ND2 3.06Å
59	R	83.9	Confident	81.8	Confident	124 Å²	124	67.3 Å²	67.3	47%	0.468	36%	0.356	S	S	.	.			trans	-132.6	158	178.5	-63.9	-177.9	177.3	-145.9	-1	110.5	E57	E57-R59 VanDerWaalsContact CD-NE 3.26Å; E57-R59 HydrophobicContact CG-CG 4.11Å; E57-R59 IonicContact OE1-CZ 3.72Å; E57-R59 IonicContact OE1-NE 2.84Å; E57-R59 PolarHBondContact OE1-NE 3.04Å; E57-R59 IonicContact OE1-NH2 3.89Å; E57-R59 PolarHBondContact OE1-NH2 3.18Å; E57-R59 IonicContact OE2-NE 3.21Å; E57-R59 IonicContact OE2-NH2 2.7Å
60	G	80.6	Confident	83.9	Confident	59 Å²	59	62.5 Å²	62.5	61%	0.608	33%	0.333	S	S	*	.	S	Bend	trans	118.7	42.9	168.3	0	0	0	0	0	114.8	V62 N83	G60-V62 VanDerWaalsContact C-N 3.34Å; G60-V62 PolarHBondContact O-N 2.97Å; G60-N83 PolarHBondContact N-OD1 3.18Å
61	C	88.7	Confident	85.4	Confident	76 Å²	76	61.4 Å²	61.4	51%	0.514	32%	0.323	S	S	.	.	S	Bend	trans	62.4	38	177.2	-54.2	0	0	0	0	113.4	R63 N83 E84	C61-R63 PolarHBondContact O-N 3.08Å; C61-N83 PolarHBondContact N-OD1 2.99Å; C61-E84 HydrophobicContact CB-CG 4Å
62	V	90.9	Very high	86.8	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.018	32%	0.317	C	S	.	.			trans	-67.3	129.5	-178.9	179.6	0	0	0	0	110.2	V7 I58 G60 N64 L65 N83 E84 L85	V7-V62 HydrophobicContact CG2-CG1 4.4Å; V7-V62 HydrophobicContact CG2-CG2 3.72Å; I58-V62 HydrophobicContact CG2-CB 4.43Å; I58-V62 HydrophobicContact CG2-CG2 3.67Å; G60-V62 VanDerWaalsContact C-N 3.34Å; G60-V62 PolarHBondContact O-N 2.97Å; V62-N64 WeakPolarHBondContact CG1-O 3.48Å; V62-L65 HydrophobicContact CG1-CD2 4.26Å; V62-N83 HydrophobicContact CB-CB 4.33Å; V62-N83 PolarHBondContact N-OD1 3.15Å; V62-E84 CarbonylContact O-C 3.25Å; V62-E84 VanDerWaalsContact O-C 3.25Å; V62-E84 WeakPolarHBondContact O-CA 3.31Å; V62-E84 PolarHBondContact O-N 3.17Å; V62-L85 HydrophobicContact CG1-CD2 4.16Å; V62-L85 PolarHBondContact O-N 3.1Å
63	R	92.6	Very high	88.1	Confident	118 Å²	118	58.3 Å²	58.3	45%	0.445	30%	0.301	S	S	.	.			trans	-99.4	-30.6	177.4	-68.5	179.5	-179.2	-177.1	1.6	113.3	C61 E84	C61-R63 PolarHBondContact O-N 3.08Å; R63-E84 HydrophobicContact CG-CB 3.75Å; R63-E84 IonicContact CZ-OE2 3.83Å; R63-E84 VanDerWaalsContact CZ-OE2 3.31Å; R63-E84 IonicContact NE-OE2 2.65Å; R63-E84 PolarHBondContact NE-OE2 3.25Å; R63-E84 IonicContact NH2-OE2 3.09Å; R63-E84 PolarHBondContact NH2-OE2 3.1Å
64	N	90.4	Very high	88.5	Confident	56 Å²	56	58.5 Å²	58.5	30%	0.299	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-135.8	143	-178.5	-64.1	-61.7	0	0	0	110.2	V62 Y87	V62-N64 WeakPolarHBondContact CG1-O 3.48Å; N64-Y87 PolarHBondContact OD1-OH 2.87Å
65	L	91.8	Very high	88.8	Confident	24 Å²	24	54.4 Å²	54.4	13%	0.126	29%	0.286	C	S	.	.			trans	-94.1	136.2	174.9	-58.4	172.8	0	0	0	109.3	I58 V62 L69 F70 L80 L85 L88	I58-L65 HydrophobicContact CD1-CD2 4.3Å; V62-L65 HydrophobicContact CG1-CD2 4.26Å; L65-L69 HydrophobicContact CB-CD2 4.07Å; L65-L69 HydrophobicContact CD1-CD2 3.97Å; L65-L69 HydrophobicContact CD2-CD2 4.05Å; L65-L69 HydrophobicContact CG-CD2 4.24Å; L65-F70 HydrophobicContact CB-CE2 4.35Å; L65-F70 HydrophobicContact CB-CZ 3.92Å; L65-F70 HydrophobicContact CD1-CZ 4.01Å; L65-L80 HydrophobicContact CD1-CD1 3.78Å; L65-L80 HydrophobicContact CD2-CD1 4.42Å; L65-L80 HydrophobicContact CD2-CD2 3.91Å; L65-L85 HydrophobicContact CD1-CD1 4.43Å; L65-L85 HydrophobicContact CD2-CD1 4.41Å; L65-L85 HydrophobicContact CD2-CD2 4.08Å; L65-L85 HydrophobicContact CG-CD2 4Å; L65-L88 HydrophobicContact CD1-CD2 4.28Å
66	S	90.2	Very high	89.1	Confident	13 Å²	13	52.7 Å²	52.7	9%	0.091	28%	0.281	C	S	.	.			trans	-64.6	137.9	173.6	171	0	0	0	0	110.3	V7 H68 L69	V7-S66 WeakPolarHBondContact O-CB 3.46Å; S66-H68 PolarHBondContact O-N 3.23Å; S66-H68 PolarHBondContact OG-N 2.8Å; S66-L69 VanDerWaalsContact O-CB 3.26Å; S66-L69 WeakPolarHBondContact O-CB 3.35Å; S66-L69 PolarHBondContact O-N 3.38Å
67	P	88.7	Confident	89.3	Confident	99 Å²	99	50.9 Å²	50.9	64%	0.643	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-54	-25.1	173.6	-27.3	35.4	0	0	0	113.7	L69 F70	P67-L69 PolarHBondContact O-N 2.84Å; P67-F70 WeakPolarHBondContact O-CD2 3.39Å; P67-F70 PolarHBondContact O-N 3.14Å; P67-F70 VanDerWaalsContact O-N 3.15Å
68	H	88.9	Confident	89.6	Confident	88 Å²	88	46.9 Å²	46.9	41%	0.407	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.1	177.3	-161.9	79	0	0	0	113.3	S66 F70 T71	S66-H68 PolarHBondContact O-N 3.23Å; S66-H68 PolarHBondContact OG-N 2.8Å; H68-F70 PolarHBondContact O-N 3.22Å; H68-T71 PolarHBondContact O-N 3.34Å; H68-T71 PolarHBondContact O-OG1 3.22Å
69	L	91.6	Very high	89.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.9	-36	172.6	175.1	58.2	0	0	0	111.3	L56 I58 L65 S66 P67 T71 L72 L75 L78	L56-L69 HydrophobicContact CD2-CD1 3.45Å; L56-L69 VanDerWaalsContact CD2-CD1 3.45Å; I58-L69 HydrophobicContact CD1-CD1 4.41Å; I58-L69 HydrophobicContact CD1-CD2 4.12Å; L65-L69 HydrophobicContact CB-CD2 4.07Å; L65-L69 HydrophobicContact CD1-CD2 3.97Å; L65-L69 HydrophobicContact CD2-CD2 4.05Å; L65-L69 HydrophobicContact CG-CD2 4.24Å; S66-L69 VanDerWaalsContact O-CB 3.26Å; S66-L69 WeakPolarHBondContact O-CB 3.35Å; S66-L69 PolarHBondContact O-N 3.38Å; P67-L69 PolarHBondContact O-N 2.84Å; L69-T71 VanDerWaalsContact C-N 3.29Å; L69-T71 PolarHBondContact O-N 2.73Å; L69-L72 HydrophobicContact CD1-CD1 4.14Å; L69-L72 WeakPolarHBondContact O-CB 3.44Å; L69-L72 WeakPolarHBondContact O-CG 3.47Å; L69-L72 PolarHBondContact O-N 2.75Å; L69-L75 HydrophobicContact CD1-CD1 4.16Å; L69-L78 HydrophobicContact CD1-CD1 4.09Å; L69-L78 HydrophobicContact CD2-CD2 4.19Å
70	F	93.6	Very high	90.4	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.022	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-85	1.6	-173.7	-47.3	-64	0	0	0	114	L65 P67 H68 L72 H73 P89 D91 I92 K94 L95	L65-F70 HydrophobicContact CB-CE2 4.35Å; L65-F70 HydrophobicContact CB-CZ 3.92Å; L65-F70 HydrophobicContact CD1-CZ 4.01Å; P67-F70 WeakPolarHBondContact O-CD2 3.39Å; P67-F70 PolarHBondContact O-N 3.14Å; P67-F70 VanDerWaalsContact O-N 3.15Å; H68-F70 PolarHBondContact O-N 3.22Å; F70-L72 VanDerWaalsContact C-N 3.35Å; F70-H73 PolarHBondContact O-CE1 2.96Å; F70-H73 VanDerWaalsContact O-CE1 3.29Å; F70-P89 HydrophobicContact CE1-CG 3.99Å; F70-P89 HydrophobicContact CE2-CB 4.37Å; F70-P89 HydrophobicContact CE2-CG 3.49Å; F70-P89 VanDerWaalsContact CE2-CG 3.49Å; F70-P89 HydrophobicContact CZ-CB 4.37Å; F70-P89 HydrophobicContact CZ-CG 3.15Å; F70-D91 HydrophobicContact CB-CB 3.86Å; F70-D91 HydrophobicContact CD1-CB 4.1Å; F70-D91 WeakPolarHBondContact CD1-O 3.28Å; F70-D91 HydrophobicContact CD2-CB 3.44Å; F70-D91 VanDerWaalsContact CD2-CB 3.44Å; F70-D91 HydrophobicContact CE2-CB 4.07Å; F70-D91 HydrophobicContact CG-CB 3.5Å; F70-D91 VanDerWaalsContact CG-CB 3.5Å; F70-I92 HydrophobicContact CD1-CD1 4.46Å; F70-I92 HydrophobicContact CE1-CB 4.33Å; F70-I92 HydrophobicContact CE1-CD1 3.94Å; F70-K94 HydrophobicContact CB-CB 4.35Å; F70-K94 HydrophobicContact CB-CD 4.19Å; F70-K94 WeakPolarHBondContact O-CB 3.34Å; F70-L95 HydrophobicContact CD1-CD1 4.48Å; F70-L95 HydrophobicContact CD1-CG 4.41Å
71	T	89.6	Confident	91	Very high	70 Å²	70	39 Å²	39	43%	0.429	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-87.2	-9.7	167.4	68.4	0	0	0	0	111.9	H68 L69 H73	H68-T71 PolarHBondContact O-N 3.34Å; H68-T71 PolarHBondContact O-OG1 3.22Å; L69-T71 VanDerWaalsContact C-N 3.29Å; L69-T71 PolarHBondContact O-N 2.73Å; T71-H73 PolarHBondContact O-CD2 2.93Å; T71-H73 PolarHBondContact O-N 3.15Å
72	L	88.8	Confident	91.3	Very high	23 Å²	23	39 Å²	39	12%	0.12	20%	0.201	C	C	.	.			trans	-83.1	58	-179	-54	175.5	0	0	0	111.5	W53 L56 L69 F70 H74 L75 L95	W53-L72 HydrophobicContact CH2-CD1 3.64Å; W53-L72 HydrophobicContact CH2-CD2 3.87Å; W53-L72 HydrophobicContact CH2-CG 4.24Å; W53-L72 HydrophobicContact CZ3-CD1 4.05Å; L56-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 HydrophobicContact CD1-CD1 4.14Å; L69-L72 WeakPolarHBondContact O-CB 3.44Å; L69-L72 WeakPolarHBondContact O-CG 3.47Å; L69-L72 PolarHBondContact O-N 2.75Å; F70-L72 VanDerWaalsContact C-N 3.35Å; L72-H74 PolarHBondContact O-N 3.08Å; L72-L75 HydrophobicContact CB-CD1 3.82Å; L72-L75 HydrophobicContact CB-CG 3.99Å; L72-L75 HydrophobicContact CD1-CD1 4.05Å; L72-L75 WeakPolarHBondContact O-CB 3.22Å; L72-L75 PolarHBondContact O-N 3.34Å; L72-L95 WeakPolarHBondContact O-CD2 3.15Å
73	H	86.3	Confident	91.4	Very high	94 Å²	94	39.5 Å²	39.5	44%	0.435	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.1	-174.1	-54.8	-61.6	0	0	0	114.9	F70 T71 K94 S97	F70-H73 PolarHBondContact O-CE1 2.96Å; F70-H73 VanDerWaalsContact O-CE1 3.29Å; T71-H73 PolarHBondContact O-CD2 2.93Å; T71-H73 PolarHBondContact O-N 3.15Å; H73-K94 PolarHBondContact ND1-O 3.31Å; H73-S97 VanDerWaalsContact O-CB 3.29Å; H73-S97 WeakPolarHBondContact O-CB 3.44Å; H73-S97 PolarHBondContact O-OG 2.99Å
74	H	83.9	Confident	91.6	Very high	75 Å²	75	36 Å²	36	35%	0.347	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.6	178.7	62.1	-88.8	0	0	0	113.8	W53 L72 T76	W53-H74 AromaticContact CE3-NE2 3.72Å; W53-H74 AromaticContact CH2-NE2 3.57Å; W53-H74 AromaticContact CZ3-NE2 3.37Å; W53-H74 WeakPolarHBondContact CZ3-NE2 3.46Å; W53-H74 PolarHBondContact O-CD2 2.99Å; W53-H74 VanDerWaalsContact O-CD2 3.28Å; L72-H74 PolarHBondContact O-N 3.08Å; H74-T76 PolarHBondContact O-N 3.25Å
75	L	89.5	Confident	91.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.			trans	-62.3	129.9	-180	-82.4	178.3	0	0	0	111.9	W53 L56 L69 L72 S97 L98	W53-L75 HydrophobicContact CE3-CD2 3.72Å; W53-L75 HydrophobicContact CZ3-CD1 4.46Å; W53-L75 HydrophobicContact CZ3-CD2 3.53Å; W53-L75 HydrophobicContact CZ3-CG 4.02Å; L56-L75 HydrophobicContact CB-CD1 4.11Å; L56-L75 HydrophobicContact CB-CD2 3.83Å; L56-L75 HydrophobicContact CD2-CD1 4.16Å; L69-L75 HydrophobicContact CD1-CD1 4.16Å; L72-L75 HydrophobicContact CB-CD1 3.82Å; L72-L75 HydrophobicContact CB-CG 3.99Å; L72-L75 HydrophobicContact CD1-CD1 4.05Å; L72-L75 WeakPolarHBondContact O-CB 3.22Å; L72-L75 PolarHBondContact O-N 3.34Å; L75-S97 CarbonylContact O-C 3.58Å; L75-S97 VanDerWaalsContact O-C 3.23Å; L75-S97 WeakPolarHBondContact O-CB 3.41Å; L75-L98 HydrophobicContact CB-CD1 4.29Å; L75-L98 WeakPolarHBondContact O-CA 3.3Å; L75-L98 PolarHBondContact O-N 3.13Å
76	T	92.6	Very high	92.1	Very high	36 Å²	36	37.8 Å²	37.8	22%	0.221	20%	0.198	C	C	.	.	S	Bend	trans	-107.3	-22.9	174.6	67.7	0	0	0	0	112.9	H54 H74 R99 V100	H54-T76 HydrophobicContact CB-CG2 4Å; H54-T76 WeakPolarHBondContact CB-OG1 3.48Å; H54-T76 WeakPolarHBondContact O-CA 3.21Å; H54-T76 PolarHBondContact O-N 3.43Å; H54-T76 PolarHBondContact O-OG1 3.12Å; H74-T76 PolarHBondContact O-N 3.25Å; T76-R99 WeakPolarHBondContact O-CA 3.34Å; T76-R99 PolarHBondContact O-N 3.27Å; T76-V100 PolarHBondContact O-N 3.43Å
77	A	93.1	Very high	92.4	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.3	172.5	0	0	0	0	0	111.6	H54 E55 L56 F79 V100	H54-A77 PolarHBondContact O-N 2.73Å; E55-A77 VanDerWaalsContact CA-O 3.31Å; E55-A77 WeakPolarHBondContact CA-O 3.28Å; E55-A77 HydrophobicContact CB-CB 4.1Å; E55-A77 HydrophobicContact CG-CB 3.83Å; L56-A77 PolarHBondContact N-O 2.65Å; A77-F79 HydrophobicContact CB-CE2 3.77Å; A77-F79 HydrophobicContact CB-CZ 3.96Å; A77-V100 CarbonylContact C-O 3.53Å; A77-V100 VanDerWaalsContact CA-O 3.3Å; A77-V100 WeakPolarHBondContact CA-O 3.5Å; A77-V100 HydrophobicContact CB-CB 4Å
78	L	95.9	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	118.4	176.9	-179.6	61.6	0	0	0	109.6	L56 L69 L80 I92 L95 L98 V100 L101 D102	L56-L78 HydrophobicContact CB-CD1 4.11Å; L56-L78 HydrophobicContact CD2-CD1 4.13Å; L56-L78 HydrophobicContact CG-CD1 4.18Å; L56-L78 WeakPolarHBondContact O-CA 3.44Å; L69-L78 HydrophobicContact CD1-CD1 4.09Å; L69-L78 HydrophobicContact CD2-CD2 4.19Å; L78-L80 HydrophobicContact CD1-CD2 3.95Å; L78-L80 HydrophobicContact CD1-CG 4.38Å; L78-L80 HydrophobicContact CD2-CD1 4.09Å; L78-L80 HydrophobicContact CD2-CD2 4.43Å; L78-L80 HydrophobicContact CD2-CG 4.28Å; L78-L80 HydrophobicContact CG-CD1 4.31Å; L78-L80 HydrophobicContact CG-CD2 4.09Å; L78-L80 HydrophobicContact CG-CG 3.97Å; L78-I92 HydrophobicContact CD2-CD1 3.84Å; L78-L95 HydrophobicContact CD2-CD1 3.82Å; L78-L98 HydrophobicContact CB-CD1 3.8Å; L78-L98 HydrophobicContact CB-CD2 4.41Å; L78-V100 PolarHBondContact N-O 3.28Å; L78-L101 HydrophobicContact CB-CD1 4.07Å; L78-L101 HydrophobicContact CD2-CD1 4.06Å; L78-L101 HydrophobicContact CG-CD1 4.14Å; L78-L101 WeakPolarHBondContact O-CA 3.29Å; L78-D102 PolarHBondContact O-N 2.9Å
79	F	95.4	Very high	93	Very high	28 Å²	28	35.3 Å²	35.3	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.5	179.9	-56.7	-75.4	0	0	0	109.9	L32 L56 E57 I58 A77 V100 D102	L32-F79 HydrophobicContact CD1-CE1 3.44Å; L32-F79 VanDerWaalsContact CD1-CE1 3.44Å; L32-F79 HydrophobicContact CD1-CZ 3.86Å; L56-F79 PolarHBondContact O-N 3.37Å; E57-F79 WeakPolarHBondContact CA-O 3.47Å; E57-F79 HydrophobicContact CB-CB 3.97Å; E57-F79 HydrophobicContact CB-CD2 4.35Å; E57-F79 HydrophobicContact CG-CB 3.88Å; I58-F79 PolarHBondContact N-O 2.73Å; A77-F79 HydrophobicContact CB-CE2 3.77Å; A77-F79 HydrophobicContact CB-CZ 3.96Å; F79-V100 HydrophobicContact CE1-CG1 3.97Å; F79-V100 HydrophobicContact CZ-CG1 4.24Å; F79-D102 HydrophobicContact CD1-CB 3.85Å; F79-D102 HydrophobicContact CE1-CB 4.45Å
80	L	95.5	Very high	93	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.			trans	-117.8	13.8	178.7	-55.5	177.5	0	0	0	111.4	I58 L65 L78 N83 L85 L88 L101 D102 A103 N106	I58-L80 HydrophobicContact CB-CD2 3.92Å; I58-L80 HydrophobicContact CD1-CD2 3.87Å; I58-L80 HydrophobicContact CG1-CD2 4.11Å; L65-L80 HydrophobicContact CD1-CD1 3.78Å; L65-L80 HydrophobicContact CD2-CD1 4.42Å; L65-L80 HydrophobicContact CD2-CD2 3.91Å; L78-L80 HydrophobicContact CD1-CD2 3.95Å; L78-L80 HydrophobicContact CD1-CG 4.38Å; L78-L80 HydrophobicContact CD2-CD1 4.09Å; L78-L80 HydrophobicContact CD2-CD2 4.43Å; L78-L80 HydrophobicContact CD2-CG 4.28Å; L78-L80 HydrophobicContact CG-CD1 4.31Å; L78-L80 HydrophobicContact CG-CD2 4.09Å; L78-L80 HydrophobicContact CG-CG 3.97Å; L80-N83 PolarHBondContact O-ND2 3.4Å; L80-L85 HydrophobicContact CB-CD1 3.99Å; L80-L85 HydrophobicContact CD1-CD1 3.96Å; L80-L85 HydrophobicContact CG-CD1 4.48Å; L80-L88 HydrophobicContact CD1-CD2 3.87Å; L80-L101 HydrophobicContact CD1-CD1 4.33Å; L80-D102 CarbonylContact C-O 3.55Å; L80-D102 WeakPolarHBondContact CA-O 3.47Å; L80-D102 WeakPolarHBondContact CB-O 3.48Å; L80-D102 PolarHBondContact N-O 3.47Å; L80-A103 HydrophobicContact CB-CB 4.4Å; L80-N106 PolarHBondContact O-ND2 3.12Å
81	C	93.3	Very high	93.1	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.027	21%	0.212	C	C	.	.			trans	-62.9	149	-178.3	59.8	0	0	0	0	112.3	N83 D102 S104	C81-N83 PolarHBondContact O-ND2 3.25Å; C81-D102 PolarHBondContact N-O 2.75Å; C81-S104 VanDerWaalsContact CA-O 3.24Å; C81-S104 WeakPolarHBondContact CA-O 3.47Å
82	D	94.1	Very high	93.3	Very high	78 Å²	78	37.5 Å²	37.5	42%	0.417	19%	0.192	S	C	.	.	S	Bend	trans	61	47.8	177.8	-52.7	-44.3	0	0	0	113.5	S104 N105	D82-S104 PolarHBondContact N-O 3.05Å; D82-S104 VanDerWaalsContact N-O 3.17Å; D82-N105 WeakPolarHBondContact CA-O 3.3Å; D82-N105 WeakPolarHBondContact OD1-CB 3.44Å; D82-N105 PolarHBondContact OD1-ND2 3.31Å
83	N	94	Very high	93.4	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.064	19%	0.194	C	C	.	.	S	Bend	trans	-120.3	-171.8	173.7	-75.9	-65.7	0	0	0	111.1	I58 G60 C61 V62 L80 C81 L85 N105 N106	I58-N83 PolarHBondContact O-ND2 3.06Å; G60-N83 PolarHBondContact N-OD1 3.18Å; C61-N83 PolarHBondContact N-OD1 2.99Å; V62-N83 HydrophobicContact CB-CB 4.33Å; V62-N83 PolarHBondContact N-OD1 3.15Å; L80-N83 PolarHBondContact O-ND2 3.4Å; C81-N83 PolarHBondContact O-ND2 3.25Å; N83-L85 HydrophobicContact CB-CG 4.23Å; N83-N105 PolarHBondContact N-O 3.33Å; N83-N106 WeakPolarHBondContact CA-OD1 3.45Å; N83-N106 WeakPolarHBondContact CB-OD1 3.35Å; N83-N106 PolarHBondContact O-OD1 3.39Å
84	E	96.8	Very high	93.7	Very high	45 Å²	45	37.8 Å²	37.8	21%	0.21	20%	0.195	C	C	.	.			trans	-112.9	28.3	178.7	-60.9	-152.8	124.1	0	0	112.4	C61 V62 R63 Q86 N106 K107	C61-E84 HydrophobicContact CB-CG 4Å; V62-E84 CarbonylContact O-C 3.25Å; V62-E84 VanDerWaalsContact O-C 3.25Å; V62-E84 WeakPolarHBondContact O-CA 3.31Å; V62-E84 PolarHBondContact O-N 3.17Å; R63-E84 HydrophobicContact CG-CB 3.75Å; R63-E84 IonicContact CZ-OE2 3.83Å; R63-E84 VanDerWaalsContact CZ-OE2 3.31Å; R63-E84 IonicContact NE-OE2 2.65Å; R63-E84 PolarHBondContact NE-OE2 3.25Å; R63-E84 IonicContact NH2-OE2 3.09Å; R63-E84 PolarHBondContact NH2-OE2 3.1Å; E84-Q86 PolarHBondContact O-N 3.18Å; E84-N106 PolarHBondContact N-OD1 2.96Å; E84-K107 IonicContact OE1-NZ 3.43Å; E84-K107 PolarHBondContact OE1-NZ 3.43Å; E84-K107 IonicContact OE2-NZ 3.5Å
85	L	97	Very high	94.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.178	C	C	.	.			trans	-64	128	-177.7	-60.5	174.5	0	0	0	110.1	V62 L65 L80 N83 L88 N106 K107 L108	V62-L85 HydrophobicContact CG1-CD2 4.16Å; V62-L85 PolarHBondContact O-N 3.1Å; L65-L85 HydrophobicContact CD1-CD1 4.43Å; L65-L85 HydrophobicContact CD2-CD1 4.41Å; L65-L85 HydrophobicContact CD2-CD2 4.08Å; L65-L85 HydrophobicContact CG-CD2 4Å; L80-L85 HydrophobicContact CB-CD1 3.99Å; L80-L85 HydrophobicContact CD1-CD1 3.96Å; L80-L85 HydrophobicContact CG-CD1 4.48Å; N83-L85 HydrophobicContact CB-CG 4.23Å; L85-L88 HydrophobicContact CD1-CD2 4.17Å; L85-N106 HydrophobicContact CB-CB 4.23Å; L85-N106 VanDerWaalsContact CB-OD1 3.27Å; L85-N106 WeakPolarHBondContact CB-OD1 3.41Å; L85-N106 WeakPolarHBondContact CG-OD1 3.3Å; L85-N106 PolarHBondContact N-OD1 3.03Å; L85-K107 CarbonylContact O-C 3.47Å; L85-K107 VanDerWaalsContact O-C 3.23Å; L85-K107 VanDerWaalsContact O-CA 3.3Å; L85-K107 WeakPolarHBondContact O-CA 3.4Å; L85-K107 PolarHBondContact O-N 3.23Å; L85-L108 HydrophobicContact CB-CD2 4.01Å; L85-L108 PolarHBondContact O-N 3.01Å
86	Q	96	Very high	94.2	Very high	117 Å²	117	38.2 Å²	38.2	55%	0.547	20%	0.202	S	C	.	.	S	Bend	trans	-91.9	-24.4	176.2	-64.3	-178.6	5.3	0	0	112.5	E84 K107 L108	E84-Q86 PolarHBondContact O-N 3.18Å; Q86-K107 HydrophobicContact CG-CB 4.49Å; Q86-L108 WeakPolarHBondContact O-CA 3.26Å
87	Y	95.5	Very high	94.1	Very high	119 Å²	119	38.7 Å²	38.7	47%	0.467	21%	0.207	S	C	.	.			trans	-149.8	160.9	176.1	63.8	-84	0	0	0	110	N64 P89 L108	N64-Y87 PolarHBondContact OD1-OH 2.87Å; Y87-P89 HydrophobicContact CE2-CB 4.41Å; Y87-L108 VanDerWaalsContact C-CD2 3.42Å; Y87-L108 VanDerWaalsContact CA-CD2 3.5Å
88	L	95.7	Very high	94.2	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	21%	0.205	C	C	.	.			trans	-101.7	130.2	163	-68.9	174.5	0	0	0	108.1	L65 L80 L85 L101 A103 L108 L111 P112	L65-L88 HydrophobicContact CD1-CD2 4.28Å; L80-L88 HydrophobicContact CD1-CD2 3.87Å; L85-L88 HydrophobicContact CD1-CD2 4.17Å; L88-L101 HydrophobicContact CD1-CD2 4.41Å; L88-A103 HydrophobicContact CD1-CB 4.21Å; L88-A103 HydrophobicContact CD2-CB 4.43Å; L88-L108 HydrophobicContact CD1-CD1 4.14Å; L88-L108 HydrophobicContact CG-CD1 4.08Å; L88-L108 HydrophobicContact CG-CD2 4.12Å; L88-L111 HydrophobicContact CD1-CD2 4.26Å; L88-P112 HydrophobicContact CB-CG 4.11Å; L88-P112 WeakPolarHBondContact O-CG 3.11Å
89	P	95.5	Very high	94.2	Very high	23 Å²	23	44.3 Å²	44.3	15%	0.149	23%	0.227	C	C	.	.			trans	-69	149.5	178.3	28.8	-34.2	0	0	0	111.1	F70 Y87 D91 I92	F70-P89 HydrophobicContact CE1-CG 3.99Å; F70-P89 HydrophobicContact CE2-CB 4.37Å; F70-P89 HydrophobicContact CE2-CG 3.49Å; F70-P89 VanDerWaalsContact CE2-CG 3.49Å; F70-P89 HydrophobicContact CZ-CB 4.37Å; F70-P89 HydrophobicContact CZ-CG 3.15Å; Y87-P89 HydrophobicContact CE2-CB 4.41Å; P89-D91 PolarHBondContact O-N 3.36Å; P89-D91 VanDerWaalsContact O-N 3.15Å; P89-I92 WeakPolarHBondContact O-CB 3.24Å; P89-I92 VanDerWaalsContact O-CG2 3.29Å; P89-I92 WeakPolarHBondContact O-CG2 3.29Å; P89-I92 PolarHBondContact O-N 2.78Å
90	A	91.4	Very high	94.3	Very high	59 Å²	59	43.9 Å²	43.9	49%	0.488	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59.7	-25.2	177.7	0	0	0	0	0	112.8	I92 A93 P112 A114	A90-I92 PolarHBondContact O-N 3Å; A90-A93 WeakPolarHBondContact O-CB 3.31Å; A90-A93 PolarHBondContact O-N 3.45Å; A90-A93 VanDerWaalsContact O-N 3.13Å; A90-P112 HydrophobicContact CB-CB 4.49Å; A90-A114 HydrophobicContact CB-CB 4.04Å
91	D	94.5	Very high	94.4	Very high	62 Å²	62	43.9 Å²	43.9	33%	0.332	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-58.3	-14.3	173.7	-66.1	-69.2	0	0	0	114.2	F70 P89 A93 K94	F70-D91 HydrophobicContact CB-CB 3.86Å; F70-D91 HydrophobicContact CD1-CB 4.1Å; F70-D91 WeakPolarHBondContact CD1-O 3.28Å; F70-D91 HydrophobicContact CD2-CB 3.44Å; F70-D91 VanDerWaalsContact CD2-CB 3.44Å; F70-D91 HydrophobicContact CE2-CB 4.07Å; F70-D91 HydrophobicContact CG-CB 3.5Å; F70-D91 VanDerWaalsContact CG-CB 3.5Å; P89-D91 PolarHBondContact O-N 3.36Å; P89-D91 VanDerWaalsContact O-N 3.15Å; D91-A93 PolarHBondContact O-N 3.19Å; D91-A93 VanDerWaalsContact O-N 3.11Å; D91-K94 HydrophobicContact CB-CD 4.22Å; D91-K94 VanDerWaalsContact O-CB 3.22Å; D91-K94 WeakPolarHBondContact O-CB 3.39Å; D91-K94 WeakPolarHBondContact O-CG 3.24Å; D91-K94 PolarHBondContact O-N 2.81Å; D91-K94 WeakPolarHBondContact OD1-CE 3.43Å; D91-K94 IonicContact OD1-NZ 2.92Å; D91-K94 PolarHBondContact OD1-NZ 3.37Å
92	I	95.1	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-53.6	-30.6	171.4	-164.4	68.4	0	0	0	112.1	F70 L78 P89 A90 K94 L95 L101 P112 L115 L118	F70-I92 HydrophobicContact CD1-CD1 4.46Å; F70-I92 HydrophobicContact CE1-CB 4.33Å; F70-I92 HydrophobicContact CE1-CD1 3.94Å; L78-I92 HydrophobicContact CD2-CD1 3.84Å; P89-I92 WeakPolarHBondContact O-CB 3.24Å; P89-I92 VanDerWaalsContact O-CG2 3.29Å; P89-I92 WeakPolarHBondContact O-CG2 3.29Å; P89-I92 PolarHBondContact O-N 2.78Å; A90-I92 PolarHBondContact O-N 3Å; I92-K94 PolarHBondContact O-N 2.93Å; I92-L95 HydrophobicContact CD1-CD1 3.78Å; I92-L95 WeakPolarHBondContact O-CB 3.33Å; I92-L95 PolarHBondContact O-N 2.87Å; I92-L95 VanDerWaalsContact O-N 3.07Å; I92-L101 HydrophobicContact CG1-CD2 4.22Å; I92-P112 HydrophobicContact CG2-CG 4.09Å; I92-L115 HydrophobicContact CG1-CD1 4.24Å; I92-L115 HydrophobicContact CG2-CD1 3.8Å; I92-L118 HydrophobicContact CG1-CD1 4.41Å
93	A	90.7	Very high	94.7	Very high	20 Å²	20	40.1 Å²	40.1	17%	0.165	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18.6	176.4	0	0	0	0	0	113.8	A90 D91 L95 A114 D117	A90-A93 WeakPolarHBondContact O-CB 3.31Å; A90-A93 PolarHBondContact O-N 3.45Å; A90-A93 VanDerWaalsContact O-N 3.13Å; D91-A93 PolarHBondContact O-N 3.19Å; D91-A93 VanDerWaalsContact O-N 3.11Å; A93-L95 PolarHBondContact O-N 2.63Å; A93-A114 HydrophobicContact CB-CB 3.78Å; A93-A114 VanDerWaalsContact CB-O 3.29Å; A93-A114 WeakPolarHBondContact CB-O 3.26Å; A93-D117 HydrophobicContact CB-CB 4.41Å
94	K	92.5	Very high	94.9	Very high	104 Å²	104	39.6 Å²	39.6	45%	0.452	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.1	-17.6	174.5	-64.6	175	172	167.2	0	112.6	F70 H73 D91 I92 T96	F70-K94 HydrophobicContact CB-CB 4.35Å; F70-K94 HydrophobicContact CB-CD 4.19Å; F70-K94 WeakPolarHBondContact O-CB 3.34Å; H73-K94 PolarHBondContact ND1-O 3.31Å; D91-K94 HydrophobicContact CB-CD 4.22Å; D91-K94 VanDerWaalsContact O-CB 3.22Å; D91-K94 WeakPolarHBondContact O-CB 3.39Å; D91-K94 WeakPolarHBondContact O-CG 3.24Å; D91-K94 PolarHBondContact O-N 2.81Å; D91-K94 WeakPolarHBondContact OD1-CE 3.43Å; D91-K94 IonicContact OD1-NZ 2.92Å; D91-K94 PolarHBondContact OD1-NZ 3.37Å; I92-K94 PolarHBondContact O-N 2.93Å; K94-T96 PolarHBondContact O-N 2.73Å
95	L	94.3	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.			trans	-80.2	59.9	175.6	-56.5	-174.6	0	0	0	110.5	F70 L72 L78 I92 A93 S97 L98 L118	F70-L95 HydrophobicContact CD1-CD1 4.48Å; F70-L95 HydrophobicContact CD1-CG 4.41Å; L72-L95 WeakPolarHBondContact O-CD2 3.15Å; L78-L95 HydrophobicContact CD2-CD1 3.82Å; I92-L95 HydrophobicContact CD1-CD1 3.78Å; I92-L95 WeakPolarHBondContact O-CB 3.33Å; I92-L95 PolarHBondContact O-N 2.87Å; I92-L95 VanDerWaalsContact O-N 3.07Å; A93-L95 PolarHBondContact O-N 2.63Å; L95-S97 PolarHBondContact O-N 3.49Å; L95-L98 HydrophobicContact CB-CB 4.15Å; L95-L98 HydrophobicContact CB-CD2 4.48Å; L95-L98 HydrophobicContact CD1-CD2 4.42Å; L95-L98 WeakPolarHBondContact O-CB 3.44Å; L95-L98 PolarHBondContact O-N 2.9Å; L95-L118 WeakPolarHBondContact O-CD2 3.48Å
96	T	89.1	Confident	95	Very high	83 Å²	83	40.6 Å²	40.6	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.2	-169.6	53.9	0	0	0	0	115.1	K94 T120	K94-T96 PolarHBondContact O-N 2.73Å; T96-T120 WeakPolarHBondContact O-CG2 3.45Å; T96-T120 PolarHBondContact O-OG1 3.49Å
97	S	90.5	Very high	95	Very high	47 Å²	47	39.2 Å²	39.2	33%	0.329	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.7	174.9	-54	0	0	0	0	113.8	H73 L75 L95 R99	H73-S97 VanDerWaalsContact O-CB 3.29Å; H73-S97 WeakPolarHBondContact O-CB 3.44Å; H73-S97 PolarHBondContact O-OG 2.99Å; L75-S97 CarbonylContact O-C 3.58Å; L75-S97 VanDerWaalsContact O-C 3.23Å; L75-S97 WeakPolarHBondContact O-CB 3.41Å; L95-S97 PolarHBondContact O-N 3.49Å; S97-R99 PolarHBondContact O-N 2.73Å
98	L	95.1	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.			trans	-68.1	126.8	-170.3	-158.7	72.7	0	0	0	111.4	L75 L78 L95 L101 L118 T120 L121	L75-L98 HydrophobicContact CB-CD1 4.29Å; L75-L98 WeakPolarHBondContact O-CA 3.3Å; L75-L98 PolarHBondContact O-N 3.13Å; L78-L98 HydrophobicContact CB-CD1 3.8Å; L78-L98 HydrophobicContact CB-CD2 4.41Å; L95-L98 HydrophobicContact CB-CB 4.15Å; L95-L98 HydrophobicContact CB-CD2 4.48Å; L95-L98 HydrophobicContact CD1-CD2 4.42Å; L95-L98 WeakPolarHBondContact O-CB 3.44Å; L95-L98 PolarHBondContact O-N 2.9Å; L98-L101 HydrophobicContact CD2-CB 3.9Å; L98-L101 HydrophobicContact CD2-CD1 4.31Å; L98-L101 HydrophobicContact CD2-CD2 4.43Å; L98-L101 HydrophobicContact CD2-CG 4.44Å; L98-L118 HydrophobicContact CD2-CD1 4.17Å; L98-T120 PolarHBondContact N-OG1 3.45Å; L98-T120 CarbonylContact O-C 3.23Å; L98-T120 VanDerWaalsContact O-C 3.24Å; L98-T120 WeakPolarHBondContact O-CB 3.38Å; L98-T120 PolarHBondContact O-OG1 3.04Å; L98-L121 HydrophobicContact CB-CD1 4.35Å; L98-L121 HydrophobicContact CD2-CD1 4.14Å; L98-L121 HydrophobicContact CG-CD1 4.1Å; L98-L121 WeakPolarHBondContact O-CA 3.19Å; L98-L121 PolarHBondContact O-N 3.47Å
99	R	95.5	Very high	95.1	Very high	122 Å²	122	36.3 Å²	36.3	46%	0.46	20%	0.201	S	C	.	.			trans	-109.2	-31	177.3	-62.6	-175.7	-178.7	-121.2	6.2	112.4	T76 S97 E122 Q123	T76-R99 WeakPolarHBondContact O-CA 3.34Å; T76-R99 PolarHBondContact O-N 3.27Å; S97-R99 PolarHBondContact O-N 2.73Å; R99-E122 IonicContact CZ-OE1 2.87Å; R99-E122 IonicContact NH1-OE1 2.81Å; R99-E122 PolarHBondContact NH1-OE1 2.97Å; R99-E122 PolarHBondContact O-N 2.89Å; R99-Q123 PolarHBondContact O-N 3.22Å
100	V	97.3	Very high	95	Very high	20 Å²	20	39 Å²	39	12%	0.121	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.5	-179.8	-176.2	0	0	0	0	109.5	T76 A77 L78 F79 Q123	T76-V100 PolarHBondContact O-N 3.43Å; A77-V100 CarbonylContact C-O 3.53Å; A77-V100 VanDerWaalsContact CA-O 3.3Å; A77-V100 WeakPolarHBondContact CA-O 3.5Å; A77-V100 HydrophobicContact CB-CB 4Å; L78-V100 PolarHBondContact N-O 3.28Å; F79-V100 HydrophobicContact CE1-CG1 3.97Å; F79-V100 HydrophobicContact CZ-CG1 4.24Å; V100-Q123 WeakPolarHBondContact CA-O 3.49Å; V100-Q123 HydrophobicContact CG1-CB 4.3Å; V100-Q123 HydrophobicContact CG2-CB 4.26Å; V100-Q123 HydrophobicContact CG2-CG 4.46Å
101	L	98.3	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120	169.7	177.9	58.5	0	0	0	109.1	L78 L80 L88 I92 L98 L115 L121 Q123 L124 Y125	L78-L101 HydrophobicContact CB-CD1 4.07Å; L78-L101 HydrophobicContact CD2-CD1 4.06Å; L78-L101 HydrophobicContact CG-CD1 4.14Å; L78-L101 WeakPolarHBondContact O-CA 3.29Å; L80-L101 HydrophobicContact CD1-CD1 4.33Å; L88-L101 HydrophobicContact CD1-CD2 4.41Å; I92-L101 HydrophobicContact CG1-CD2 4.22Å; L98-L101 HydrophobicContact CD2-CB 3.9Å; L98-L101 HydrophobicContact CD2-CD1 4.31Å; L98-L101 HydrophobicContact CD2-CD2 4.43Å; L98-L101 HydrophobicContact CD2-CG 4.44Å; L101-L115 HydrophobicContact CD2-CD1 3.78Å; L101-L121 HydrophobicContact CB-CD1 4.05Å; L101-Q123 PolarHBondContact N-O 2.91Å; L101-L124 HydrophobicContact CB-CD1 4.04Å; L101-L124 HydrophobicContact CD2-CD1 3.88Å; L101-L124 HydrophobicContact CG-CD1 4.02Å; L101-L124 CarbonylContact O-C 3.23Å; L101-L124 WeakPolarHBondContact O-CA 3.49Å; L101-Y125 PolarHBondContact O-N 3.4Å
102	D	97.8	Very high	95.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.2	170.8	-164.8	-19.1	0	0	0	110.1	N30 L78 F79 L80 C81 S104 Y125	N30-D102 PolarHBondContact ND2-OD2 2.79Å; L78-D102 PolarHBondContact O-N 2.9Å; F79-D102 HydrophobicContact CD1-CB 3.85Å; F79-D102 HydrophobicContact CE1-CB 4.45Å; L80-D102 CarbonylContact C-O 3.55Å; L80-D102 WeakPolarHBondContact CA-O 3.47Å; L80-D102 WeakPolarHBondContact CB-O 3.48Å; L80-D102 PolarHBondContact N-O 3.47Å; C81-D102 PolarHBondContact N-O 2.75Å; D102-S104 WeakPolarHBondContact OD1-CB 3.43Å; D102-S104 PolarHBondContact OD1-N 2.85Å; D102-S104 PolarHBondContact OD1-OG 2.81Å; D102-Y125 HydrophobicContact CB-CD2 4.32Å; D102-Y125 WeakPolarHBondContact OD1-CB 3.43Å
103	A	97.1	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.			trans	-120.6	28.6	172	0	0	0	0	0	111.1	L80 L88 N106 L108 Y125 V126 N129	L80-A103 HydrophobicContact CB-CB 4.4Å; L88-A103 HydrophobicContact CD1-CB 4.21Å; L88-A103 HydrophobicContact CD2-CB 4.43Å; A103-N106 PolarHBondContact O-ND2 2.97Å; A103-N106 VanDerWaalsContact O-ND2 3.09Å; A103-L108 HydrophobicContact CB-CD1 3.99Å; A103-Y125 PolarHBondContact N-O 3.22Å; A103-V126 HydrophobicContact CB-CG1 4.48Å; A103-N129 PolarHBondContact O-ND2 3.05Å
104	S	98	Very high	94.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	20%	0.203	C	C	.	.			trans	-64.2	157.6	177.2	-51.5	0	0	0	0	112	C81 D82 D102 N106 Y125 N127	C81-S104 VanDerWaalsContact CA-O 3.24Å; C81-S104 WeakPolarHBondContact CA-O 3.47Å; D82-S104 PolarHBondContact N-O 3.05Å; D82-S104 VanDerWaalsContact N-O 3.17Å; D102-S104 WeakPolarHBondContact OD1-CB 3.43Å; D102-S104 PolarHBondContact OD1-N 2.85Å; D102-S104 PolarHBondContact OD1-OG 2.81Å; S104-N106 PolarHBondContact O-ND2 3.18Å; S104-Y125 PolarHBondContact N-O 2.95Å; S104-Y125 WeakPolarHBondContact OG-CB 3.3Å; S104-N127 CarbonylContact C-O 3.54Å; S104-N127 WeakPolarHBondContact CA-O 3.44Å; S104-N127 WeakPolarHBondContact CB-O 3.44Å; S104-N127 PolarHBondContact OG-N 3.39Å; S104-N127 PolarHBondContact OG-ND2 3.24Å
105	N	97	Very high	94.4	Very high	54 Å²	54	31.7 Å²	31.7	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	54.4	55.1	178.9	-50.5	-48.4	0	0	0	112.3	D82 N83 N127 N128	D82-N105 WeakPolarHBondContact CA-O 3.3Å; D82-N105 WeakPolarHBondContact OD1-CB 3.44Å; D82-N105 PolarHBondContact OD1-ND2 3.31Å; N83-N105 PolarHBondContact N-O 3.33Å; N105-N127 PolarHBondContact N-O 3.3Å; N105-N128 WeakPolarHBondContact CA-O 3.38Å; N105-N128 VanDerWaalsContact OD1-CB 3.25Å; N105-N128 WeakPolarHBondContact OD1-CB 3.24Å; N105-N128 PolarHBondContact OD1-ND2 3.08Å
106	N	97.8	Very high	93.9	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	18%	0.183	C	C	.	.	S	Bend	trans	-125.4	-162.7	173.4	-84.7	-80.6	0	0	0	109	L80 N83 E84 L85 A103 S104 L108 N129	L80-N106 PolarHBondContact O-ND2 3.12Å; N83-N106 WeakPolarHBondContact CA-OD1 3.45Å; N83-N106 WeakPolarHBondContact CB-OD1 3.35Å; N83-N106 PolarHBondContact O-OD1 3.39Å; E84-N106 PolarHBondContact N-OD1 2.96Å; L85-N106 HydrophobicContact CB-CB 4.23Å; L85-N106 VanDerWaalsContact CB-OD1 3.27Å; L85-N106 WeakPolarHBondContact CB-OD1 3.41Å; L85-N106 WeakPolarHBondContact CG-OD1 3.3Å; L85-N106 PolarHBondContact N-OD1 3.03Å; A103-N106 PolarHBondContact O-ND2 2.97Å; A103-N106 VanDerWaalsContact O-ND2 3.09Å; S104-N106 PolarHBondContact O-ND2 3.18Å; N106-L108 HydrophobicContact CB-CG 4.04Å; N106-N129 VanDerWaalsContact CA-OD1 3.23Å; N106-N129 WeakPolarHBondContact CA-OD1 3.08Å; N106-N129 WeakPolarHBondContact CB-OD1 3.46Å; N106-N129 PolarHBondContact N-OD1 2.85Å; N106-N129 PolarHBondContact O-OD1 2.84Å
107	K	97.4	Very high	93.7	Very high	88 Å²	88	32 Å²	32	38%	0.383	18%	0.181	S	C	.	.			trans	-117	29.2	177.8	-59	175.6	-171.6	168	0	111	E84 L85 Q86 S109 N129	E84-K107 IonicContact OE1-NZ 3.43Å; E84-K107 PolarHBondContact OE1-NZ 3.43Å; E84-K107 IonicContact OE2-NZ 3.5Å; L85-K107 CarbonylContact O-C 3.47Å; L85-K107 VanDerWaalsContact O-C 3.23Å; L85-K107 VanDerWaalsContact O-CA 3.3Å; L85-K107 WeakPolarHBondContact O-CA 3.4Å; L85-K107 PolarHBondContact O-N 3.23Å; Q86-K107 HydrophobicContact CG-CB 4.49Å; K107-S109 PolarHBondContact O-N 3.31Å; K107-N129 PolarHBondContact N-OD1 2.76Å
108	L	98.2	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.			trans	-65.6	121.1	-176.2	-56.9	177.6	0	0	0	110.3	L85 Q86 Y87 L88 A103 N106 L111 N129 L130 I131	L85-L108 HydrophobicContact CB-CD2 4.01Å; L85-L108 PolarHBondContact O-N 3.01Å; Q86-L108 WeakPolarHBondContact O-CA 3.26Å; Y87-L108 VanDerWaalsContact C-CD2 3.42Å; Y87-L108 VanDerWaalsContact CA-CD2 3.5Å; L88-L108 HydrophobicContact CD1-CD1 4.14Å; L88-L108 HydrophobicContact CG-CD1 4.08Å; L88-L108 HydrophobicContact CG-CD2 4.12Å; A103-L108 HydrophobicContact CB-CD1 3.99Å; N106-L108 HydrophobicContact CB-CG 4.04Å; L108-L111 HydrophobicContact CD1-CD2 4.24Å; L108-N129 HydrophobicContact CB-CB 4.06Å; L108-N129 VanDerWaalsContact CB-OD1 3.31Å; L108-N129 WeakPolarHBondContact CB-OD1 3.45Å; L108-N129 VanDerWaalsContact CG-OD1 3.29Å; L108-N129 WeakPolarHBondContact CG-OD1 3.48Å; L108-N129 PolarHBondContact N-OD1 3.47Å; L108-L130 CarbonylContact O-C 3.45Å; L108-L130 VanDerWaalsContact O-CA 3.25Å; L108-L130 WeakPolarHBondContact O-CA 3.47Å; L108-L130 WeakPolarHBondContact O-CB 3.36Å; L108-L130 PolarHBondContact O-N 2.94Å; L108-I131 HydrophobicContact CB-CG1 4.3Å; L108-I131 WeakPolarHBondContact O-CG1 3.44Å; L108-I131 PolarHBondContact O-N 3.46Å
109	S	94.7	Very high	92.8	Very high	63 Å²	63	31.2 Å²	31.2	44%	0.441	18%	0.175	S	C	.	.	S	Bend	trans	-92.4	-23.2	175.7	58.8	0	0	0	0	113.4	K107 I131	K107-S109 PolarHBondContact O-N 3.31Å; S109-I131 WeakPolarHBondContact O-CA 3.33Å
110	T	92.9	Very high	92.3	Very high	79 Å²	79	26.7 Å²	26.7	49%	0.485	16%	0.161	S	C	.	.			trans	-146	166.3	179	58.5	0	0	0	0	109.9
111	L	96.1	Very high	92.2	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.052	16%	0.155	C	C	.	.			trans	-113.2	143.8	167.7	-61.9	175.3	0	0	0	109	L88 L108 L115 V126 I131 L134 P135 L138	L88-L111 HydrophobicContact CD1-CD2 4.26Å; L108-L111 HydrophobicContact CD1-CD2 4.24Å; L111-L115 HydrophobicContact CB-CD2 4.38Å; L111-L115 HydrophobicContact CD1-CD2 4.24Å; L111-V126 HydrophobicContact CD1-CG1 4.49Å; L111-V126 HydrophobicContact CD1-CG2 4.42Å; L111-V126 HydrophobicContact CD2-CG1 4Å; L111-I131 HydrophobicContact CD1-CD1 4.18Å; L111-I131 HydrophobicContact CD2-CD1 3.88Å; L111-I131 HydrophobicContact CG-CD1 3.89Å; L111-L134 HydrophobicContact CD1-CD2 4.12Å; L111-P135 HydrophobicContact CB-CG 3.97Å; L111-L138 HydrophobicContact CD1-CD1 4.19Å
112	P	94.6	Very high	91.9	Very high	21 Å²	21	27.5 Å²	27.5	14%	0.136	16%	0.163	C	C	.	.			trans	-68.9	137.6	177.7	28.2	-33.7	0	0	0	110.7	L88 A90 I92 A114 L115	L88-P112 HydrophobicContact CB-CG 4.11Å; L88-P112 WeakPolarHBondContact O-CG 3.11Å; A90-P112 HydrophobicContact CB-CB 4.49Å; I92-P112 HydrophobicContact CG2-CG 4.09Å; P112-A114 PolarHBondContact O-N 3.44Å; P112-L115 HydrophobicContact CG-CB 4.35Å; P112-L115 WeakPolarHBondContact O-CB 3.28Å; P112-L115 PolarHBondContact O-N 3.43Å
113	A	82.9	Confident	91.9	Very high	42 Å²	42	29.8 Å²	29.8	35%	0.347	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-53	-36.7	174.4	0	0	0	0	0	112.7	L115 G116 E137	A113-L115 PolarHBondContact O-N 3.1Å; A113-G116 PolarHBondContact O-N 3.04Å; A113-E137 VanDerWaalsContact CB-CD 3.48Å; A113-E137 HydrophobicContact CB-CG 4.01Å; A113-E137 WeakPolarHBondContact CB-OE2 3.31Å; A113-E137 WeakPolarHBondContact O-CB 3.46Å
114	A	87.4	Confident	92	Very high	19 Å²	19	29.8 Å²	29.8	16%	0.157	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-58	-19.2	176.8	0	0	0	0	0	113.6	A90 A93 P112 G116 D117	A90-A114 HydrophobicContact CB-CB 4.04Å; A93-A114 HydrophobicContact CB-CB 3.78Å; A93-A114 VanDerWaalsContact CB-O 3.29Å; A93-A114 WeakPolarHBondContact CB-O 3.26Å; P112-A114 PolarHBondContact O-N 3.44Å; A114-G116 PolarHBondContact O-N 3.26Å; A114-D117 WeakPolarHBondContact O-CB 3.29Å; A114-D117 PolarHBondContact O-N 3.17Å
115	L	90.9	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29	174.4	-163.2	69.2	0	0	0	112.1	I92 L101 L111 P112 A113 D117 L118 L124 L138	I92-L115 HydrophobicContact CG1-CD1 4.24Å; I92-L115 HydrophobicContact CG2-CD1 3.8Å; L101-L115 HydrophobicContact CD2-CD1 3.78Å; L111-L115 HydrophobicContact CB-CD2 4.38Å; L111-L115 HydrophobicContact CD1-CD2 4.24Å; P112-L115 HydrophobicContact CG-CB 4.35Å; P112-L115 WeakPolarHBondContact O-CB 3.28Å; P112-L115 PolarHBondContact O-N 3.43Å; A113-L115 PolarHBondContact O-N 3.1Å; L115-D117 PolarHBondContact O-N 3.25Å; L115-L118 HydrophobicContact CD1-CD1 3.75Å; L115-L118 PolarHBondContact O-N 2.99Å; L115-L124 HydrophobicContact CD2-CD1 4.25Å; L115-L124 HydrophobicContact CD2-CD2 3.74Å; L115-L138 HydrophobicContact CD2-CD2 4Å; L115-L138 HydrophobicContact CG-CD2 4.42Å
116	G	83.4	Confident	92.1	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-66	-14.1	174.7	0	0	0	0	0	114.7	A113 A114 L118 E137 K140	A113-G116 PolarHBondContact O-N 3.04Å; A114-G116 PolarHBondContact O-N 3.26Å; G116-L118 VanDerWaalsContact C-N 3.34Å; G116-E137 WeakPolarHBondContact CA-O 3.32Å; G116-K140 WeakPolarHBondContact O-CB 3.24Å
117	D	84.3	Confident	92.1	Very high	88 Å²	88	28.8 Å²	28.8	47%	0.471	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-86	-7.7	-179.8	-56.5	-26.8	0	0	0	112.4	A93 A114 L115 S119 K140	A93-D117 HydrophobicContact CB-CB 4.41Å; A114-D117 WeakPolarHBondContact O-CB 3.29Å; A114-D117 PolarHBondContact O-N 3.17Å; L115-D117 PolarHBondContact O-N 3.25Å; D117-S119 PolarHBondContact O-N 3.42Å; D117-K140 IonicContact OD1-NZ 2.67Å; D117-K140 PolarHBondContact OD1-NZ 3.39Å
118	L	89.8	Confident	92.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.17	C	C	.	.			trans	-76.1	68.3	174.4	-66	178.2	0	0	0	111.8	I92 L95 L98 L115 G116 T120 L121 L141	I92-L118 HydrophobicContact CG1-CD1 4.41Å; L95-L118 WeakPolarHBondContact O-CD2 3.48Å; L98-L118 HydrophobicContact CD2-CD1 4.17Å; L115-L118 HydrophobicContact CD1-CD1 3.75Å; L115-L118 PolarHBondContact O-N 2.99Å; G116-L118 VanDerWaalsContact C-N 3.34Å; L118-T120 PolarHBondContact O-N 3.07Å; L118-L121 HydrophobicContact CB-CB 4.07Å; L118-L121 HydrophobicContact CD1-CD2 4.4Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.34Å; L118-L141 HydrophobicContact CB-CD2 4.35Å; L118-L141 WeakPolarHBondContact O-CD2 3.47Å
119	S	77	Confident	92.1	Very high	28 Å²	28	28.9 Å²	28.9	20%	0.196	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.1	-175	65.6	0	0	0	0	115	D117 R143	D117-S119 PolarHBondContact O-N 3.42Å; S119-R143 WeakPolarHBondContact O-CD 3.27Å
120	T	86	Confident	92.3	Very high	28 Å²	28	30.7 Å²	30.7	17%	0.172	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.7	175.6	54.8	0	0	0	0	114.1	T96 L98 L118 E122	T96-T120 WeakPolarHBondContact O-CG2 3.45Å; T96-T120 PolarHBondContact O-OG1 3.49Å; L98-T120 PolarHBondContact N-OG1 3.45Å; L98-T120 CarbonylContact O-C 3.23Å; L98-T120 VanDerWaalsContact O-C 3.24Å; L98-T120 WeakPolarHBondContact O-CB 3.38Å; L98-T120 PolarHBondContact O-OG1 3.04Å; L118-T120 PolarHBondContact O-N 3.07Å; T120-E122 PolarHBondContact O-N 3.35Å
121	L	94.4	Very high	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.			trans	-68.1	122.5	-172.3	-157.8	70.5	0	0	0	110.9	L98 L101 L118 L124 L141 R143 L144	L98-L121 HydrophobicContact CB-CD1 4.35Å; L98-L121 HydrophobicContact CD2-CD1 4.14Å; L98-L121 HydrophobicContact CG-CD1 4.1Å; L98-L121 WeakPolarHBondContact O-CA 3.19Å; L98-L121 PolarHBondContact O-N 3.47Å; L101-L121 HydrophobicContact CB-CD1 4.05Å; L118-L121 HydrophobicContact CB-CB 4.07Å; L118-L121 HydrophobicContact CD1-CD2 4.4Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.34Å; L121-L124 HydrophobicContact CD2-CB 3.99Å; L121-L124 HydrophobicContact CD2-CD1 4.38Å; L121-L124 HydrophobicContact CD2-CD2 4.43Å; L121-L124 HydrophobicContact CD2-CG 4.5Å; L121-L141 HydrophobicContact CB-CD2 4.39Å; L121-L141 HydrophobicContact CD2-CD1 4.16Å; L121-R143 CarbonylContact O-C 3.6Å; L121-L144 HydrophobicContact CB-CD1 4.39Å; L121-L144 HydrophobicContact CD2-CD1 4.15Å; L121-L144 HydrophobicContact CG-CD1 4.05Å; L121-L144 WeakPolarHBondContact O-CA 3.4Å; L121-L144 PolarHBondContact O-N 3.28Å
122	E	93.4	Very high	92.2	Very high	36 Å²	36	34.7 Å²	34.7	17%	0.168	18%	0.181	C	C	.	.			trans	-106.5	-28.3	180	-62.9	-173.3	-146.1	0	0	111.9	R99 T120 K145 T146	R99-E122 IonicContact CZ-OE1 2.87Å; R99-E122 IonicContact NH1-OE1 2.81Å; R99-E122 PolarHBondContact NH1-OE1 2.97Å; R99-E122 PolarHBondContact O-N 2.89Å; T120-E122 PolarHBondContact O-N 3.35Å; E122-K145 PolarHBondContact O-N 3Å; E122-K145 IonicContact OE2-NZ 3.84Å; E122-K145 PolarHBondContact OE2-NZ 3.13Å; E122-T146 PolarHBondContact O-N 3.05Å
123	Q	97.3	Very high	91.8	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.234	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	124.3	-178.4	-54.8	-178.9	38	0	0	110.6	R99 V100 L101 Y125 T146	R99-Q123 PolarHBondContact O-N 3.22Å; V100-Q123 WeakPolarHBondContact CA-O 3.49Å; V100-Q123 HydrophobicContact CG1-CB 4.3Å; V100-Q123 HydrophobicContact CG2-CB 4.26Å; V100-Q123 HydrophobicContact CG2-CG 4.46Å; L101-Q123 PolarHBondContact N-O 2.91Å; Q123-Y125 HydrophobicContact CB-CD2 4.49Å; Q123-Y125 HydrophobicContact CB-CE2 3.75Å; Q123-Y125 PolarHBondContact OE1-OH 2.86Å; Q123-T146 WeakPolarHBondContact CA-O 3.4Å
124	L	98.5	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.8	176.4	175.4	58.7	0	0	0	108.6	L101 L115 L121 V126 L138 L144 T146 L147 G148	L101-L124 HydrophobicContact CB-CD1 4.04Å; L101-L124 HydrophobicContact CD2-CD1 3.88Å; L101-L124 HydrophobicContact CG-CD1 4.02Å; L101-L124 CarbonylContact O-C 3.23Å; L101-L124 WeakPolarHBondContact O-CA 3.49Å; L115-L124 HydrophobicContact CD2-CD1 4.25Å; L115-L124 HydrophobicContact CD2-CD2 3.74Å; L121-L124 HydrophobicContact CD2-CB 3.99Å; L121-L124 HydrophobicContact CD2-CD1 4.38Å; L121-L124 HydrophobicContact CD2-CD2 4.43Å; L121-L124 HydrophobicContact CD2-CG 4.5Å; L124-V126 HydrophobicContact CD1-CG1 3.91Å; L124-V126 HydrophobicContact CG-CG1 4.28Å; L124-L138 HydrophobicContact CD2-CD2 3.95Å; L124-L144 HydrophobicContact CB-CD1 3.78Å; L124-L144 HydrophobicContact CB-CD2 4.31Å; L124-T146 PolarHBondContact N-O 3.24Å; L124-L147 HydrophobicContact CB-CD1 4.14Å; L124-L147 HydrophobicContact CD2-CD1 3.89Å; L124-L147 HydrophobicContact CG-CD1 4.03Å; L124-L147 CarbonylContact O-C 3.43Å; L124-L147 VanDerWaalsContact O-CA 3.3Å; L124-L147 WeakPolarHBondContact O-CA 3.37Å; L124-G148 PolarHBondContact O-N 2.89Å
125	Y	98.3	Very high	92.1	Very high	27 Å²	27	36.7 Å²	36.7	11%	0.106	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.9	176.2	-56.7	-82.4	0	0	0	109.5	L101 D102 A103 S104 Q123 T146	L101-Y125 PolarHBondContact O-N 3.4Å; D102-Y125 HydrophobicContact CB-CD2 4.32Å; D102-Y125 WeakPolarHBondContact OD1-CB 3.43Å; A103-Y125 PolarHBondContact N-O 3.22Å; S104-Y125 PolarHBondContact N-O 2.95Å; S104-Y125 WeakPolarHBondContact OG-CB 3.3Å; Q123-Y125 HydrophobicContact CB-CD2 4.49Å; Q123-Y125 HydrophobicContact CB-CE2 3.75Å; Q123-Y125 PolarHBondContact OE1-OH 2.86Å; Y125-T146 HydrophobicContact CE1-CG2 3.57Å
126	V	98	Very high	91.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.			trans	-133.7	29.6	177.3	-65.6	0	0	0	0	110.4	A103 L111 L124 N129 I131 G148 L149 N152	A103-V126 HydrophobicContact CB-CG1 4.48Å; L111-V126 HydrophobicContact CD1-CG1 4.49Å; L111-V126 HydrophobicContact CD1-CG2 4.42Å; L111-V126 HydrophobicContact CD2-CG1 4Å; L124-V126 HydrophobicContact CD1-CG1 3.91Å; L124-V126 HydrophobicContact CG-CG1 4.28Å; V126-N129 PolarHBondContact O-ND2 2.9Å; V126-I131 HydrophobicContact CB-CD1 3.94Å; V126-I131 HydrophobicContact CG2-CD1 3.9Å; V126-G148 CarbonylContact C-O 3.6Å; V126-G148 VanDerWaalsContact CG2-O 3.24Å; V126-G148 WeakPolarHBondContact CG2-O 3.31Å; V126-G148 PolarHBondContact N-O 3.48Å; V126-L149 HydrophobicContact CG2-CD2 3.74Å; V126-N152 PolarHBondContact O-ND2 3.4Å
127	N	98.1	Very high	91.4	Very high	22 Å²	22	40.5 Å²	40.5	12%	0.118	21%	0.207	C	C	.	.			trans	-60.7	153.1	-178.5	-54.3	-76.1	0	0	0	111.1	S104 N105 N129 G148 L149 L150	S104-N127 CarbonylContact C-O 3.54Å; S104-N127 WeakPolarHBondContact CA-O 3.44Å; S104-N127 WeakPolarHBondContact CB-O 3.44Å; S104-N127 PolarHBondContact OG-N 3.39Å; S104-N127 PolarHBondContact OG-ND2 3.24Å; N105-N127 PolarHBondContact N-O 3.3Å; N127-N129 PolarHBondContact O-ND2 3.23Å; N127-G148 PolarHBondContact N-O 2.85Å; N127-G148 VanDerWaalsContact OD1-CA 3.32Å; N127-G148 WeakPolarHBondContact OD1-CA 3Å; N127-L149 PolarHBondContact OD1-N 3.19Å; N127-L150 CarbonylContact C-O 3.54Å; N127-L150 WeakPolarHBondContact CA-O 3.22Å; N127-L150 WeakPolarHBondContact CB-O 3.14Å; N127-L150 PolarHBondContact OD1-N 2.9Å
128	N	98	Very high	91.5	Very high	85 Å²	85	36.3 Å²	36.3	46%	0.455	18%	0.184	S	C	.	.	S	Bend	trans	51.4	59.8	176.4	-53.9	-41.9	0	0	0	112.5	N105 L150	N105-N128 WeakPolarHBondContact CA-O 3.38Å; N105-N128 VanDerWaalsContact OD1-CB 3.25Å; N105-N128 WeakPolarHBondContact OD1-CB 3.24Å; N105-N128 PolarHBondContact OD1-ND2 3.08Å; N128-L150 PolarHBondContact N-O 3.04Å
129	N	98.6	Very high	90.9	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	19%	0.188	C	C	.	.	S	Bend	trans	-125.7	-167.6	171.9	-84.7	-74	0	0	0	108.7	A103 N106 K107 L108 V126 N127 I131 N152	A103-N129 PolarHBondContact O-ND2 3.05Å; N106-N129 VanDerWaalsContact CA-OD1 3.23Å; N106-N129 WeakPolarHBondContact CA-OD1 3.08Å; N106-N129 WeakPolarHBondContact CB-OD1 3.46Å; N106-N129 PolarHBondContact N-OD1 2.85Å; N106-N129 PolarHBondContact O-OD1 2.84Å; K107-N129 PolarHBondContact N-OD1 2.76Å; L108-N129 HydrophobicContact CB-CB 4.06Å; L108-N129 VanDerWaalsContact CB-OD1 3.31Å; L108-N129 WeakPolarHBondContact CB-OD1 3.45Å; L108-N129 VanDerWaalsContact CG-OD1 3.29Å; L108-N129 WeakPolarHBondContact CG-OD1 3.48Å; L108-N129 PolarHBondContact N-OD1 3.47Å; V126-N129 PolarHBondContact O-ND2 2.9Å; N127-N129 PolarHBondContact O-ND2 3.23Å; N129-I131 HydrophobicContact CB-CD1 4.12Å; N129-I131 HydrophobicContact CB-CG1 4.07Å; N129-N152 VanDerWaalsContact CA-OD1 3.26Å; N129-N152 WeakPolarHBondContact CA-OD1 3.46Å; N129-N152 WeakPolarHBondContact CB-OD1 3.05Å; N129-N152 PolarHBondContact N-OD1 3.42Å; N129-N152 PolarHBondContact O-OD1 2.71Å
130	L	97.9	Very high	90.9	Very high	101 Å²	101	37 Å²	37	53%	0.529	19%	0.186	S	C	.	.			trans	-110.2	24.3	-179.4	-58.7	175	0	0	0	112	L108 R132 N152	L108-L130 CarbonylContact O-C 3.45Å; L108-L130 VanDerWaalsContact O-CA 3.25Å; L108-L130 WeakPolarHBondContact O-CA 3.47Å; L108-L130 WeakPolarHBondContact O-CB 3.36Å; L108-L130 PolarHBondContact O-N 2.94Å; L130-R132 PolarHBondContact O-N 3.05Å; L130-N152 PolarHBondContact N-OD1 3.22Å
131	I	98	Very high	90.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.			trans	-71.1	121.4	-174.2	-56.6	165.6	0	0	0	110.2	L108 S109 L111 V126 N129 V133 L134 N152 P153 L154	L108-I131 HydrophobicContact CB-CG1 4.3Å; L108-I131 WeakPolarHBondContact O-CG1 3.44Å; L108-I131 PolarHBondContact O-N 3.46Å; S109-I131 WeakPolarHBondContact O-CA 3.33Å; L111-I131 HydrophobicContact CD1-CD1 4.18Å; L111-I131 HydrophobicContact CD2-CD1 3.88Å; L111-I131 HydrophobicContact CG-CD1 3.89Å; V126-I131 HydrophobicContact CB-CD1 3.94Å; V126-I131 HydrophobicContact CG2-CD1 3.9Å; N129-I131 HydrophobicContact CB-CD1 4.12Å; N129-I131 HydrophobicContact CB-CG1 4.07Å; I131-V133 WeakPolarHBondContact CG2-O 3.38Å; I131-L134 HydrophobicContact CG2-CD2 3.94Å; I131-N152 HydrophobicContact CB-CB 4.23Å; I131-N152 VanDerWaalsContact CB-OD1 3.3Å; I131-N152 WeakPolarHBondContact CB-OD1 2.99Å; I131-N152 WeakPolarHBondContact CG1-OD1 3.39Å; I131-N152 PolarHBondContact N-OD1 2.92Å; I131-P153 CarbonylContact O-C 3.4Å; I131-P153 VanDerWaalsContact O-CD 3.27Å; I131-P153 WeakPolarHBondContact O-CD 3.37Å; I131-L154 HydrophobicContact CG2-CD2 4.04Å; I131-L154 PolarHBondContact O-N 3.2Å
132	R	90.3	Very high	89.9	Confident	172 Å²	172	41.4 Å²	41.4	65%	0.649	20%	0.2	S	C	*	.			trans	-99.6	-38	177.1	-66.1	178.4	-179.1	-105.5	2.4	113.4	L130 P153 T155	L130-R132 PolarHBondContact O-N 3.05Å; R132-P153 WeakPolarHBondContact CA-O 3.39Å; R132-P153 HydrophobicContact CG-CB 4.32Å; R132-P153 HydrophobicContact CG-CG 3.84Å; R132-T155 PolarHBondContact O-N 2.82Å
133	V	85.5	Confident	89.4	Confident	99 Å²	99	43.5 Å²	43.5	60%	0.6	21%	0.207	S	C	*	.	S	Bend	trans	-127.5	139.8	-177	-178.3	0	0	0	0	108.3	I131	I131-V133 WeakPolarHBondContact CG2-O 3.38Å
134	L	90.6	Very high	89.1	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	20%	0.198	C	C	.	.			trans	-98	136.9	174.1	-66	175.6	0	0	0	109.3	L111 I131 L138 L149 L154 I158 L171 L175	L111-L134 HydrophobicContact CD1-CD2 4.12Å; I131-L134 HydrophobicContact CG2-CD2 3.94Å; L134-L138 HydrophobicContact CB-CD1 4.11Å; L134-L138 HydrophobicContact CD2-CD1 4Å; L134-L138 HydrophobicContact CG-CD1 4.44Å; L134-L149 HydrophobicContact CD1-CD1 3.85Å; L134-L149 HydrophobicContact CD1-CD2 4.16Å; L134-L149 HydrophobicContact CD2-CD2 3.73Å; L134-L154 HydrophobicContact CD1-CD2 4.38Å; L134-L154 HydrophobicContact CD2-CD2 4.16Å; L134-L154 HydrophobicContact CG-CD2 3.92Å; L134-I158 HydrophobicContact CD1-CG2 3.9Å; L134-L171 HydrophobicContact CD1-CD2 3.81Å; L134-L171 HydrophobicContact CD1-CG 4.49Å; L134-L175 HydrophobicContact CB-CD1 4.01Å; L134-L175 HydrophobicContact CB-CD2 4.21Å; L134-L175 HydrophobicContact CD1-CD1 4.16Å
135	P	86.9	Confident	88.5	Confident	20 Å²	20	48.4 Å²	48.4	13%	0.13	23%	0.227	C	C	.	.			trans	-66.5	136.1	175.1	26	-30.2	0	0	0	110	L111 E137 L138	L111-P135 HydrophobicContact CB-CG 3.97Å; P135-E137 WeakPolarHBondContact CB-OE2 3.49Å; P135-E137 PolarHBondContact O-N 2.98Å; P135-E137 VanDerWaalsContact O-N 3.14Å; P135-L138 HydrophobicContact CG-CD1 4.45Å; P135-L138 HydrophobicContact CG-CG 4.11Å; P135-L138 WeakPolarHBondContact O-CB 3.38Å; P135-L138 PolarHBondContact O-N 3.11Å
136	C	76.4	Confident	88.2	Confident	33 Å²	33	49.7 Å²	49.7	22%	0.223	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.5	-26.4	-178.5	-63	0	0	0	0	112	L138 G139 L179	C136-L138 PolarHBondContact O-N 2.66Å; C136-G139 PolarHBondContact O-N 2.83Å; C136-L179 HydrophobicContact CB-CB 3.9Å; C136-L179 HydrophobicContact CB-CD1 4.06Å
137	E	81.8	Confident	88.2	Confident	49 Å²	49	49.7 Å²	49.7	23%	0.229	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.4	-21.8	175.8	-65.6	79.2	-176.7	0	0	113.7	A113 G116 P135 G139 K140 L179	A113-E137 VanDerWaalsContact CB-CD 3.48Å; A113-E137 HydrophobicContact CB-CG 4.01Å; A113-E137 WeakPolarHBondContact CB-OE2 3.31Å; A113-E137 WeakPolarHBondContact O-CB 3.46Å; G116-E137 WeakPolarHBondContact CA-O 3.32Å; P135-E137 WeakPolarHBondContact CB-OE2 3.49Å; P135-E137 PolarHBondContact O-N 2.98Å; P135-E137 VanDerWaalsContact O-N 3.14Å; E137-G139 PolarHBondContact O-N 2.89Å; E137-G139 VanDerWaalsContact O-N 3.15Å; E137-K140 HydrophobicContact CB-CD 4.43Å; E137-K140 WeakPolarHBondContact O-CB 3.45Å; E137-K140 VanDerWaalsContact O-CG 3.32Å; E137-K140 WeakPolarHBondContact O-CG 2.99Å; E137-K140 PolarHBondContact O-N 3.44Å; E137-L179 HydrophobicContact CG-CD1 4.43Å
138	L	86.6	Confident	88.1	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56	-30.8	170.1	-75.6	-179.7	0	0	0	111.6	L111 L115 L124 L134 P135 C136 K140 L141 L172 L175	L111-L138 HydrophobicContact CD1-CD1 4.19Å; L115-L138 HydrophobicContact CD2-CD2 4Å; L115-L138 HydrophobicContact CG-CD2 4.42Å; L124-L138 HydrophobicContact CD2-CD2 3.95Å; L134-L138 HydrophobicContact CB-CD1 4.11Å; L134-L138 HydrophobicContact CD2-CD1 4Å; L134-L138 HydrophobicContact CG-CD1 4.44Å; P135-L138 HydrophobicContact CG-CD1 4.45Å; P135-L138 HydrophobicContact CG-CG 4.11Å; P135-L138 WeakPolarHBondContact O-CB 3.38Å; P135-L138 PolarHBondContact O-N 3.11Å; C136-L138 PolarHBondContact O-N 2.66Å; L138-K140 PolarHBondContact O-N 3.13Å; L138-L141 HydrophobicContact CD2-CD1 3.57Å; L138-L141 VanDerWaalsContact O-CB 3.31Å; L138-L141 WeakPolarHBondContact O-CB 3.43Å; L138-L141 WeakPolarHBondContact O-CG 3.38Å; L138-L141 PolarHBondContact O-N 2.98Å; L138-L172 HydrophobicContact CB-CD2 4.18Å; L138-L172 WeakPolarHBondContact O-CD2 3.34Å; L138-L175 HydrophobicContact CB-CD1 3.93Å; L138-L175 HydrophobicContact CD1-CD1 4.36Å
139	G	77.2	Confident	88.1	Confident	7 Å²	7	45 Å²	45	7%	0.072	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.4	-19.7	174.9	0	0	0	0	0	114.3	C136 E137 L141 L172	C136-G139 PolarHBondContact O-N 2.83Å; E137-G139 PolarHBondContact O-N 2.89Å; E137-G139 VanDerWaalsContact O-N 3.15Å; G139-L141 VanDerWaalsContact C-N 3.29Å; G139-L141 PolarHBondContact O-N 3.14Å; G139-L172 VanDerWaalsContact CA-O 3.28Å; G139-L172 WeakPolarHBondContact CA-O 3.31Å
140	K	78.2	Confident	87.9	Confident	37 Å²	37	50.4 Å²	50.4	16%	0.161	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-72.3	-17.6	173.3	-58.8	178.9	-169.5	176.1	0	113.4	G116 D117 E137 L138 Y142 L179 L289	G116-K140 WeakPolarHBondContact O-CB 3.24Å; D117-K140 IonicContact OD1-NZ 2.67Å; D117-K140 PolarHBondContact OD1-NZ 3.39Å; E137-K140 HydrophobicContact CB-CD 4.43Å; E137-K140 WeakPolarHBondContact O-CB 3.45Å; E137-K140 VanDerWaalsContact O-CG 3.32Å; E137-K140 WeakPolarHBondContact O-CG 2.99Å; E137-K140 PolarHBondContact O-N 3.44Å; L138-K140 PolarHBondContact O-N 3.13Å; K140-Y142 VanDerWaalsContact O-CD1 3.31Å; K140-Y142 WeakPolarHBondContact O-CD1 3.3Å; K140-Y142 PolarHBondContact O-N 3.04Å; K140-L179 HydrophobicContact CG-CD2 4.06Å; K140-L289 HydrophobicContact CB-CD2 4.45Å
141	L	84.5	Confident	87.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.243	C	C	.	.			trans	-78.7	62.8	-174.8	-60	177.8	0	0	0	112.4	L118 L121 L138 G139 R143 L144	L118-L141 HydrophobicContact CB-CD2 4.35Å; L118-L141 WeakPolarHBondContact O-CD2 3.47Å; L121-L141 HydrophobicContact CB-CD2 4.39Å; L121-L141 HydrophobicContact CD2-CD1 4.16Å; L138-L141 HydrophobicContact CD2-CD1 3.57Å; L138-L141 VanDerWaalsContact O-CB 3.31Å; L138-L141 WeakPolarHBondContact O-CB 3.43Å; L138-L141 WeakPolarHBondContact O-CG 3.38Å; L138-L141 PolarHBondContact O-N 2.98Å; G139-L141 VanDerWaalsContact C-N 3.29Å; G139-L141 PolarHBondContact O-N 3.14Å; L141-R143 PolarHBondContact O-N 3.2Å; L141-R143 VanDerWaalsContact O-N 3.1Å; L141-L144 HydrophobicContact CB-CB 3.95Å; L141-L144 HydrophobicContact CB-CD2 4.47Å; L141-L144 HydrophobicContact CD1-CD2 4.24Å; L141-L144 WeakPolarHBondContact O-CB 3.35Å; L141-L144 PolarHBondContact O-N 2.97Å
142	Y	74.8	Confident	87.8	Confident	120 Å²	120	48.7 Å²	48.7	47%	0.471	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.2	-174.7	66.4	-89.3	0	0	0	114.8	K140 L289	K140-Y142 VanDerWaalsContact O-CD1 3.31Å; K140-Y142 WeakPolarHBondContact O-CD1 3.3Å; K140-Y142 PolarHBondContact O-N 3.04Å; Y142-L289 HydrophobicContact CD1-CD2 4.12Å; Y142-L289 HydrophobicContact CE1-CD2 4.04Å
143	R	82.7	Confident	88.1	Confident	79 Å²	79	43.2 Å²	43.2	30%	0.298	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.5	174.7	-62.8	-165.1	177.6	174	0.8	113.8	S119 L121 L141 K145	S119-R143 WeakPolarHBondContact O-CD 3.27Å; L121-R143 CarbonylContact O-C 3.6Å; L141-R143 PolarHBondContact O-N 3.2Å; L141-R143 VanDerWaalsContact O-N 3.1Å; R143-K145 PolarHBondContact O-N 3.29Å
144	L	89.7	Confident	88.5	Confident	9 Å²	9	39.1 Å²	39.1	5%	0.047	21%	0.208	C	C	.	.			trans	-69.9	113.6	-175.3	-163.5	76	0	0	0	110.3	L121 L124 L141 L147 L172	L121-L144 HydrophobicContact CB-CD1 4.39Å; L121-L144 HydrophobicContact CD2-CD1 4.15Å; L121-L144 HydrophobicContact CG-CD1 4.05Å; L121-L144 WeakPolarHBondContact O-CA 3.4Å; L121-L144 PolarHBondContact O-N 3.28Å; L124-L144 HydrophobicContact CB-CD1 3.78Å; L124-L144 HydrophobicContact CB-CD2 4.31Å; L141-L144 HydrophobicContact CB-CB 3.95Å; L141-L144 HydrophobicContact CB-CD2 4.47Å; L141-L144 HydrophobicContact CD1-CD2 4.24Å; L141-L144 WeakPolarHBondContact O-CB 3.35Å; L141-L144 PolarHBondContact O-N 2.97Å; L144-L147 HydrophobicContact CD2-CB 3.92Å; L144-L147 HydrophobicContact CD2-CD1 4.17Å; L144-L147 HydrophobicContact CD2-CD2 4.32Å; L144-L147 HydrophobicContact CD2-CG 4.35Å; L144-L172 HydrophobicContact CB-CD1 3.95Å; L144-L172 HydrophobicContact CD2-CD1 4.09Å; L144-L172 HydrophobicContact CD2-CD2 4.31Å
145	K	87.5	Confident	88.4	Confident	144 Å²	144	41.4 Å²	41.4	63%	0.626	22%	0.222	S	C	*	.			trans	-91.1	-39.2	179.7	-63.8	169.8	-173.7	162	0	111	E122 R143	E122-K145 PolarHBondContact O-N 3Å; E122-K145 IonicContact OE2-NZ 3.84Å; E122-K145 PolarHBondContact OE2-NZ 3.13Å; R143-K145 PolarHBondContact O-N 3.29Å
146	T	91.6	Very high	88.3	Confident	54 Å²	54	45.7 Å²	45.7	33%	0.331	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.2	-175.5	-50.6	0	0	0	0	110.3	E122 Q123 L124 Y125	E122-T146 PolarHBondContact O-N 3.05Å; Q123-T146 WeakPolarHBondContact CA-O 3.4Å; L124-T146 PolarHBondContact N-O 3.24Å; Y125-T146 HydrophobicContact CE1-CG2 3.57Å
147	L	97.1	Very high	88.7	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	102.4	177.8	175.7	53.7	0	0	0	109.2	L124 L144 L149 Y162 T168 L171 L172	L124-L147 HydrophobicContact CB-CD1 4.14Å; L124-L147 HydrophobicContact CD2-CD1 3.89Å; L124-L147 HydrophobicContact CG-CD1 4.03Å; L124-L147 CarbonylContact O-C 3.43Å; L124-L147 VanDerWaalsContact O-CA 3.3Å; L124-L147 WeakPolarHBondContact O-CA 3.37Å; L144-L147 HydrophobicContact CD2-CB 3.92Å; L144-L147 HydrophobicContact CD2-CD1 4.17Å; L144-L147 HydrophobicContact CD2-CD2 4.32Å; L144-L147 HydrophobicContact CD2-CG 4.35Å; L147-L149 HydrophobicContact CD1-CD1 4.46Å; L147-L149 HydrophobicContact CD1-CD2 4.27Å; L147-L149 HydrophobicContact CD1-CG 4.1Å; L147-L149 HydrophobicContact CD2-CD1 3.79Å; L147-L149 HydrophobicContact CD2-CG 4.32Å; L147-L149 HydrophobicContact CG-CD1 3.83Å; L147-L149 HydrophobicContact CG-CD2 4.49Å; L147-L149 HydrophobicContact CG-CG 3.84Å; L147-L149 PolarHBondContact O-N 2.67Å; L147-Y162 WeakPolarHBondContact O-CE2 3.27Å; L147-Y162 PolarHBondContact O-OH 2.77Å; L147-T168 HydrophobicContact CB-CG2 3.57Å; L147-T168 HydrophobicContact CD2-CG2 4.42Å; L147-L171 HydrophobicContact CD2-CD2 4.26Å; L147-L172 HydrophobicContact CD2-CD2 4.2Å
148	G	96.9	Very high	89	Confident	6 Å²	6	47 Å²	47	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.8	178.7	0	0	0	0	0	112.1	L124 V126 N127	L124-G148 PolarHBondContact O-N 2.89Å; V126-G148 CarbonylContact C-O 3.6Å; V126-G148 VanDerWaalsContact CG2-O 3.24Å; V126-G148 WeakPolarHBondContact CG2-O 3.31Å; V126-G148 PolarHBondContact N-O 3.48Å; N127-G148 PolarHBondContact N-O 2.85Å; N127-G148 VanDerWaalsContact OD1-CA 3.32Å; N127-G148 WeakPolarHBondContact OD1-CA 3Å
149	L	97.4	Very high	89.2	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	26%	0.263	C	S	.	.			trans	-117	-4	-178.5	-73.2	170.2	0	0	0	114.6	V126 N127 L134 L147 N152 L154 Y162 L171	V126-L149 HydrophobicContact CG2-CD2 3.74Å; N127-L149 PolarHBondContact OD1-N 3.19Å; L134-L149 HydrophobicContact CD1-CD1 3.85Å; L134-L149 HydrophobicContact CD1-CD2 4.16Å; L134-L149 HydrophobicContact CD2-CD2 3.73Å; L147-L149 HydrophobicContact CD1-CD1 4.46Å; L147-L149 HydrophobicContact CD1-CD2 4.27Å; L147-L149 HydrophobicContact CD1-CG 4.1Å; L147-L149 HydrophobicContact CD2-CD1 3.79Å; L147-L149 HydrophobicContact CD2-CG 4.32Å; L147-L149 HydrophobicContact CG-CD1 3.83Å; L147-L149 HydrophobicContact CG-CD2 4.49Å; L147-L149 HydrophobicContact CG-CG 3.84Å; L147-L149 PolarHBondContact O-N 2.67Å; L149-N152 WeakPolarHBondContact O-CB 3.46Å; L149-N152 PolarHBondContact O-N 3.43Å; L149-N152 PolarHBondContact O-ND2 3.47Å; L149-L154 HydrophobicContact CB-CD1 3.93Å; L149-L154 HydrophobicContact CD1-CD1 4.21Å; L149-L154 HydrophobicContact CD2-CD1 4.23Å; L149-L154 HydrophobicContact CG-CD1 4.35Å; L149-Y162 HydrophobicContact CB-CE1 4.24Å; L149-Y162 HydrophobicContact CD1-CD2 4Å; L149-Y162 HydrophobicContact CD1-CE2 4.16Å; L149-Y162 HydrophobicContact CD1-CG 4.31Å; L149-L171 HydrophobicContact CD1-CD2 3.49Å; L149-L171 VanDerWaalsContact CD1-CD2 3.49Å
150	L	94.9	Very high	89.8	Confident	117 Å²	117	55 Å²	55	61%	0.613	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	145	-172	-65.4	177.9	0	0	0	111.4	N127 N128 Y162	N127-L150 CarbonylContact C-O 3.54Å; N127-L150 WeakPolarHBondContact CA-O 3.22Å; N127-L150 WeakPolarHBondContact CB-O 3.14Å; N127-L150 PolarHBondContact OD1-N 2.9Å; N128-L150 PolarHBondContact N-O 3.04Å; L150-Y162 HydrophobicContact CD2-CE1 4.32Å
151	G	96	Very high	90.1	Very high	51 Å²	51	54.6 Å²	54.6	53%	0.526	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	13	-179.7	0	0	0	0	0	115.1
152	N	98.1	Very high	90.5	Very high	15 Å²	15	57 Å²	57	8%	0.08	30%	0.298	C	S	.	.	S	Bend	trans	-101.5	145.8	171.3	-75.6	-79.1	0	0	0	112	V126 N129 L130 I131 L149 L154	V126-N152 PolarHBondContact O-ND2 3.4Å; N129-N152 VanDerWaalsContact CA-OD1 3.26Å; N129-N152 WeakPolarHBondContact CA-OD1 3.46Å; N129-N152 WeakPolarHBondContact CB-OD1 3.05Å; N129-N152 PolarHBondContact N-OD1 3.42Å; N129-N152 PolarHBondContact O-OD1 2.71Å; L130-N152 PolarHBondContact N-OD1 3.22Å; I131-N152 HydrophobicContact CB-CB 4.23Å; I131-N152 VanDerWaalsContact CB-OD1 3.3Å; I131-N152 WeakPolarHBondContact CB-OD1 2.99Å; I131-N152 WeakPolarHBondContact CG1-OD1 3.39Å; I131-N152 PolarHBondContact N-OD1 2.92Å; L149-N152 WeakPolarHBondContact O-CB 3.46Å; L149-N152 PolarHBondContact O-N 3.43Å; L149-N152 PolarHBondContact O-ND2 3.47Å; N152-L154 HydrophobicContact CB-CD1 4.32Å; N152-L154 HydrophobicContact CB-CG 3.92Å; N152-L154 PolarHBondContact O-N 3.17Å
153	P	96.4	Very high	91.3	Very high	57 Å²	57	60.1 Å²	60.1	37%	0.37	31%	0.309	S	S	.	.			trans	-76.7	50.1	176	34.6	-38.1	0	0	0	113	I131 R132	I131-P153 CarbonylContact O-C 3.4Å; I131-P153 VanDerWaalsContact O-CD 3.27Å; I131-P153 WeakPolarHBondContact O-CD 3.37Å; R132-P153 WeakPolarHBondContact CA-O 3.39Å; R132-P153 HydrophobicContact CG-CB 4.32Å; R132-P153 HydrophobicContact CG-CG 3.84Å
154	L	94.5	Very high	91.5	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.063	32%	0.315	C	S	.	.			trans	-64.4	155.6	179.6	-66.3	169.8	0	0	0	111.9	I131 L134 L149 N152 I158 N159	I131-L154 HydrophobicContact CG2-CD2 4.04Å; I131-L154 PolarHBondContact O-N 3.2Å; L134-L154 HydrophobicContact CD1-CD2 4.38Å; L134-L154 HydrophobicContact CD2-CD2 4.16Å; L134-L154 HydrophobicContact CG-CD2 3.92Å; L149-L154 HydrophobicContact CB-CD1 3.93Å; L149-L154 HydrophobicContact CD1-CD1 4.21Å; L149-L154 HydrophobicContact CD2-CD1 4.23Å; L149-L154 HydrophobicContact CG-CD1 4.35Å; N152-L154 HydrophobicContact CB-CD1 4.32Å; N152-L154 HydrophobicContact CB-CG 3.92Å; N152-L154 PolarHBondContact O-N 3.17Å; L154-I158 HydrophobicContact CB-CB 4.47Å; L154-I158 HydrophobicContact CB-CG2 4.23Å; L154-I158 HydrophobicContact CD1-CG2 3.98Å; L154-I158 HydrophobicContact CD2-CG2 4.37Å; L154-I158 HydrophobicContact CG-CG2 4.43Å; L154-N159 PolarHBondContact O-ND2 2.87Å
155	T	87.4	Confident	91.3	Very high	55 Å²	55	65.2 Å²	65.2	34%	0.337	35%	0.348	S	S	.	.			trans	-60.6	153.1	175.9	63.5	0	0	0	0	111.9	R132 E157 I158 N159	R132-T155 PolarHBondContact O-N 2.82Å; T155-E157 PolarHBondContact O-N 3.06Å; T155-I158 PolarHBondContact O-N 2.53Å; T155-I158 VanDerWaalsContact OG1-CG1 3.23Å; T155-I158 WeakPolarHBondContact OG1-CG1 3.37Å; T155-N159 PolarHBondContact O-N 2.98Å; T155-N159 VanDerWaalsContact O-N 3.08Å; T155-N159 PolarHBondContact O-ND2 3.31Å; T155-N159 VanDerWaalsContact O-ND2 3.17Å
156	P	85.6	Confident	91	Very high	110 Å²	110	60.8 Å²	60.8	71%	0.714	34%	0.344	S	S	*	.	H	α-helix	trans	-56.3	-37.6	179.7	-27.5	35.8	0	0	0	113.5	N159 Q160	P156-N159 PolarHBondContact O-N 3.26Å; P156-Q160 WeakPolarHBondContact O-CB 3.29Å; P156-Q160 PolarHBondContact O-N 2.98Å
157	E	83.8	Confident	90.8	Very high	101 Å²	101	58.6 Å²	58.6	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-50.7	179	-175.8	177	-172.4	0	0	111.9	T155 N159 Q160 I161 Y174	T155-E157 PolarHBondContact O-N 3.06Å; E157-N159 VanDerWaalsContact C-N 3.32Å; E157-N159 PolarHBondContact O-N 3.28Å; E157-Q160 WeakPolarHBondContact O-CB 3.2Å; E157-Q160 PolarHBondContact O-N 3.27Å; E157-Q160 VanDerWaalsContact O-N 3.13Å; E157-I161 HydrophobicContact CG-CD1 4.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.45Å; E157-I161 PolarHBondContact O-N 3.28Å; E157-Y174 VanDerWaalsContact OE1-CE2 3.24Å; E157-Y174 WeakPolarHBondContact OE1-CE2 3.43Å; E157-Y174 VanDerWaalsContact OE1-CZ 3.25Å; E157-Y174 PolarHBondContact OE1-OH 2.95Å; E157-Y174 PolarHBondContact OE2-OH 3.38Å
158	I	88.3	Confident	90.3	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.046	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-44	177.9	-64.4	-69.9	0	0	0	110.6	L134 L154 T155 Q160 I161 Y162 L171 Y174 L175	L134-I158 HydrophobicContact CD1-CG2 3.9Å; L154-I158 HydrophobicContact CB-CB 4.47Å; L154-I158 HydrophobicContact CB-CG2 4.23Å; L154-I158 HydrophobicContact CD1-CG2 3.98Å; L154-I158 HydrophobicContact CD2-CG2 4.37Å; L154-I158 HydrophobicContact CG-CG2 4.43Å; T155-I158 PolarHBondContact O-N 2.53Å; T155-I158 VanDerWaalsContact OG1-CG1 3.23Å; T155-I158 WeakPolarHBondContact OG1-CG1 3.37Å; I158-Q160 VanDerWaalsContact C-N 3.3Å; I158-Q160 PolarHBondContact O-N 3.45Å; I158-I161 PolarHBondContact O-N 3.5Å; I158-Y162 VanDerWaalsContact O-CB 3.29Å; I158-Y162 WeakPolarHBondContact O-CB 3.26Å; I158-Y162 PolarHBondContact O-N 3.19Å; I158-L171 HydrophobicContact CD1-CD1 3.56Å; I158-L171 HydrophobicContact CG2-CD1 3.88Å; I158-L171 HydrophobicContact CG2-CD2 4.1Å; I158-Y174 HydrophobicContact CD1-CD1 4.1Å; I158-Y174 HydrophobicContact CD1-CE1 3.78Å; I158-L175 HydrophobicContact CD1-CD2 4.16Å
159	N	91.7	Very high	89.6	Confident	39 Å²	39	63.9 Å²	63.9	21%	0.209	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-39.5	176.4	-83.7	-52.7	0	0	0	112.4	L154 T155 P156 E157 R163	L154-N159 PolarHBondContact O-ND2 2.87Å; T155-N159 PolarHBondContact O-N 2.98Å; T155-N159 VanDerWaalsContact O-N 3.08Å; T155-N159 PolarHBondContact O-ND2 3.31Å; T155-N159 VanDerWaalsContact O-ND2 3.17Å; P156-N159 PolarHBondContact O-N 3.26Å; E157-N159 VanDerWaalsContact C-N 3.32Å; E157-N159 PolarHBondContact O-N 3.28Å; N159-R163 VanDerWaalsContact O-CG 3.27Å; N159-R163 WeakPolarHBondContact O-CG 3.13Å; N159-R163 PolarHBondContact O-N 2.76Å
160	Q	90.1	Very high	88.7	Confident	136 Å²	136	68.1 Å²	68.1	64%	0.636	38%	0.381	S	S	*	.	H	α-helix	trans	-65.3	-47	178.3	-177.6	175.8	-6.4	0	0	111.1	P156 E157 I158 Y162 R163	P156-Q160 WeakPolarHBondContact O-CB 3.29Å; P156-Q160 PolarHBondContact O-N 2.98Å; E157-Q160 WeakPolarHBondContact O-CB 3.2Å; E157-Q160 PolarHBondContact O-N 3.27Å; E157-Q160 VanDerWaalsContact O-N 3.13Å; I158-Q160 VanDerWaalsContact C-N 3.3Å; I158-Q160 PolarHBondContact O-N 3.45Å; Q160-Y162 PolarHBondContact O-N 3.22Å; Q160-R163 PolarHBondContact O-N 3Å
161	I	83.7	Confident	88.3	Confident	28 Å²	28	62.6 Å²	62.6	14%	0.144	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-44.8	178.6	-62.3	166.7	0	0	0	110.6	E157 I158 R163 L164 K170 L171 Y174	E157-I161 HydrophobicContact CG-CD1 4.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.45Å; E157-I161 PolarHBondContact O-N 3.28Å; I158-I161 PolarHBondContact O-N 3.5Å; I161-R163 VanDerWaalsContact C-N 3.29Å; I161-R163 PolarHBondContact O-N 2.7Å; I161-L164 WeakPolarHBondContact O-CB 3.26Å; I161-L164 WeakPolarHBondContact O-CG 3.44Å; I161-L164 PolarHBondContact O-N 3.21Å; I161-L164 VanDerWaalsContact O-N 3.16Å; I161-K170 HydrophobicContact CG2-CB 3.9Å; I161-L171 HydrophobicContact CG2-CB 4.02Å; I161-L171 HydrophobicContact CG2-CD1 4.4Å; I161-Y174 HydrophobicContact CD1-CD1 3.9Å; I161-Y174 HydrophobicContact CD1-CD2 3.41Å; I161-Y174 VanDerWaalsContact CD1-CD2 3.41Å; I161-Y174 HydrophobicContact CD1-CE1 4.24Å; I161-Y174 HydrophobicContact CD1-CE2 3.75Å; I161-Y174 HydrophobicContact CD1-CG 3.48Å; I161-Y174 VanDerWaalsContact CD1-CG 3.48Å
162	Y	92.5	Very high	87.7	Confident	50 Å²	50	60.8 Å²	60.8	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-25.6	-177.1	-173.6	-111.1	0	0	0	113.8	L147 L149 L150 I158 Q160 L164 G167 L171	L147-Y162 WeakPolarHBondContact O-CE2 3.27Å; L147-Y162 PolarHBondContact O-OH 2.77Å; L149-Y162 HydrophobicContact CB-CE1 4.24Å; L149-Y162 HydrophobicContact CD1-CD2 4Å; L149-Y162 HydrophobicContact CD1-CE2 4.16Å; L149-Y162 HydrophobicContact CD1-CG 4.31Å; L150-Y162 HydrophobicContact CD2-CE1 4.32Å; I158-Y162 VanDerWaalsContact O-CB 3.29Å; I158-Y162 WeakPolarHBondContact O-CB 3.26Å; I158-Y162 PolarHBondContact O-N 3.19Å; Q160-Y162 PolarHBondContact O-N 3.22Å; Y162-L164 VanDerWaalsContact C-N 3.33Å; Y162-G167 WeakPolarHBondContact O-CA 3.18Å; Y162-L171 HydrophobicContact CD2-CD2 3.97Å; Y162-L171 HydrophobicContact CG-CD2 4.41Å
163	R	91.7	Very high	86.5	Confident	187 Å²	187	64.7 Å²	64.7	71%	0.706	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.5	175.4	-73.3	177.1	-155	139.4	2.1	114	N159 Q160 I161	N159-R163 VanDerWaalsContact O-CG 3.27Å; N159-R163 WeakPolarHBondContact O-CG 3.13Å; N159-R163 PolarHBondContact O-N 2.76Å; Q160-R163 PolarHBondContact O-N 3Å; I161-R163 VanDerWaalsContact C-N 3.29Å; I161-R163 PolarHBondContact O-N 2.7Å
164	L	86.8	Confident	85.3	Confident	81 Å²	81	64.4 Å²	64.4	42%	0.424	34%	0.34	S	S	.	.	S	Bend	trans	-66.7	155.8	178.6	-62.8	174	0	0	0	110.8	I161 Y162 G166 G167 K170	I161-L164 WeakPolarHBondContact O-CB 3.26Å; I161-L164 WeakPolarHBondContact O-CG 3.44Å; I161-L164 PolarHBondContact O-N 3.21Å; I161-L164 VanDerWaalsContact O-N 3.16Å; Y162-L164 VanDerWaalsContact C-N 3.33Å; L164-G166 PolarHBondContact O-N 3.02Å; L164-G167 VanDerWaalsContact O-CA 3.22Å; L164-G167 WeakPolarHBondContact O-CA 3.45Å; L164-G167 PolarHBondContact O-N 3.02Å; L164-K170 HydrophobicContact CB-CD 3.76Å; L164-K170 HydrophobicContact CD1-CD 3.81Å; L164-K170 HydrophobicContact CG-CD 4.45Å
165	P	85	Confident	84.6	Confident	114 Å²	114	63.9 Å²	63.9	74%	0.74	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.2	167.9	-24.4	34.4	0	0	0	110.7	G167 K170	P165-G167 VanDerWaalsContact C-N 3.31Å; P165-K170 WeakPolarHBondContact O-CE 3.4Å
166	G	81.5	Confident	83.9	Confident	51 Å²	51	62.4 Å²	62.4	53%	0.526	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	28.3	-171.3	0	0	0	0	0	113.6	L164 T168 V169 K170	L164-G166 PolarHBondContact O-N 3.02Å; G166-T168 VanDerWaalsContact C-N 3.28Å; G166-T168 PolarHBondContact O-N 2.89Å; G166-T168 VanDerWaalsContact O-N 3.17Å; G166-V169 PolarHBondContact O-N 3.31Å; G166-K170 PolarHBondContact O-N 3.31Å
167	G	86.7	Confident	83	Confident	7 Å²	7	59.8 Å²	59.8	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-52	-37.7	-172.1	0	0	0	0	0	115.1	Y162 L164 P165 K170 L171	Y162-G167 WeakPolarHBondContact O-CA 3.18Å; L164-G167 VanDerWaalsContact O-CA 3.22Å; L164-G167 WeakPolarHBondContact O-CA 3.45Å; L164-G167 PolarHBondContact O-N 3.02Å; P165-G167 VanDerWaalsContact C-N 3.31Å; G167-K170 PolarHBondContact O-N 2.95Å; G167-L171 WeakPolarHBondContact O-CB 3.23Å; G167-L171 PolarHBondContact O-N 3.46Å
168	T	87.1	Confident	82.3	Confident	21 Å²	21	58.3 Å²	58.3	13%	0.129	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-55.8	171.5	-57.2	0	0	0	0	111.1	L147 G166 K170 L171 L172	L147-T168 HydrophobicContact CB-CG2 3.57Å; L147-T168 HydrophobicContact CD2-CG2 4.42Å; G166-T168 VanDerWaalsContact C-N 3.28Å; G166-T168 PolarHBondContact O-N 2.89Å; G166-T168 VanDerWaalsContact O-N 3.17Å; T168-K170 PolarHBondContact O-N 3.46Å; T168-L171 PolarHBondContact O-N 2.8Å; T168-L172 HydrophobicContact CG2-CD1 4.07Å; T168-L172 HydrophobicContact CG2-CG 4.42Å; T168-L172 VanDerWaalsContact O-CG 3.27Å; T168-L172 WeakPolarHBondContact O-CG 3.43Å; T168-L172 PolarHBondContact O-N 2.84Å
169	V	82	Confident	81.2	Confident	97 Å²	97	58.8 Å²	58.8	59%	0.588	31%	0.306	S	S	*	.	H	α-helix	trans	-62.3	-44.7	-177.1	180	0	0	0	0	110.8	G166 L171 L172 Q173	G166-V169 PolarHBondContact O-N 3.31Å; V169-L171 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.75Å; V169-L172 PolarHBondContact O-N 2.83Å; V169-Q173 WeakPolarHBondContact O-CB 3.44Å; V169-Q173 PolarHBondContact O-N 3.04Å
170	K	79.7	Confident	79.9	Confident	93 Å²	93	57.5 Å²	57.5	40%	0.404	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-39.8	178.3	-70	-178.7	-180	-68.7	0	112.3	I161 L164 P165 G166 G167 T168 Q173 Y174	I161-K170 HydrophobicContact CG2-CB 3.9Å; L164-K170 HydrophobicContact CB-CD 3.76Å; L164-K170 HydrophobicContact CD1-CD 3.81Å; L164-K170 HydrophobicContact CG-CD 4.45Å; P165-K170 WeakPolarHBondContact O-CE 3.4Å; G166-K170 PolarHBondContact O-N 3.31Å; G167-K170 PolarHBondContact O-N 2.95Å; T168-K170 PolarHBondContact O-N 3.46Å; K170-Q173 PolarHBondContact O-N 2.87Å; K170-Y174 WeakPolarHBondContact O-CB 3.49Å; K170-Y174 PolarHBondContact O-N 2.89Å
171	L	85.3	Confident	79	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-45	177.8	178.2	59.4	0	0	0	111.6	L134 L147 L149 I158 I161 Y162 G167 T168 V169 Q173 Y174 L175	L134-L171 HydrophobicContact CD1-CD2 3.81Å; L134-L171 HydrophobicContact CD1-CG 4.49Å; L147-L171 HydrophobicContact CD2-CD2 4.26Å; L149-L171 HydrophobicContact CD1-CD2 3.49Å; L149-L171 VanDerWaalsContact CD1-CD2 3.49Å; I158-L171 HydrophobicContact CD1-CD1 3.56Å; I158-L171 HydrophobicContact CG2-CD1 3.88Å; I158-L171 HydrophobicContact CG2-CD2 4.1Å; I161-L171 HydrophobicContact CG2-CB 4.02Å; I161-L171 HydrophobicContact CG2-CD1 4.4Å; Y162-L171 HydrophobicContact CD2-CD2 3.97Å; Y162-L171 HydrophobicContact CG-CD2 4.41Å; G167-L171 WeakPolarHBondContact O-CB 3.23Å; G167-L171 PolarHBondContact O-N 3.46Å; T168-L171 PolarHBondContact O-N 2.8Å; V169-L171 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.75Å; L171-Q173 VanDerWaalsContact C-N 3.29Å; L171-Q173 PolarHBondContact O-N 2.89Å; L171-Y174 HydrophobicContact CD1-CD1 4.42Å; L171-Y174 WeakPolarHBondContact O-CB 3.49Å; L171-Y174 PolarHBondContact O-N 2.91Å; L171-L175 HydrophobicContact CD1-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CG 4.18Å; L171-L175 HydrophobicContact CG-CD1 4.18Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 WeakPolarHBondContact O-CG 3.26Å; L171-L175 PolarHBondContact O-N 3.5Å
172	L	84.1	Confident	78.9	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-41.1	175.3	-64.8	-179.9	0	0	0	111.1	L138 G139 L144 L147 T168 V169 L175 M176	L138-L172 HydrophobicContact CB-CD2 4.18Å; L138-L172 WeakPolarHBondContact O-CD2 3.34Å; G139-L172 VanDerWaalsContact CA-O 3.28Å; G139-L172 WeakPolarHBondContact CA-O 3.31Å; L144-L172 HydrophobicContact CB-CD1 3.95Å; L144-L172 HydrophobicContact CD2-CD1 4.09Å; L144-L172 HydrophobicContact CD2-CD2 4.31Å; L147-L172 HydrophobicContact CD2-CD2 4.2Å; T168-L172 HydrophobicContact CG2-CD1 4.07Å; T168-L172 HydrophobicContact CG2-CG 4.42Å; T168-L172 VanDerWaalsContact O-CG 3.27Å; T168-L172 WeakPolarHBondContact O-CG 3.43Å; T168-L172 PolarHBondContact O-N 2.84Å; V169-L172 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 3.02Å; L172-M176 VanDerWaalsContact O-CB 3.22Å; L172-M176 WeakPolarHBondContact O-CB 3.16Å; L172-M176 PolarHBondContact O-N 2.88Å
173	Q	72.1	Confident	78.8	Confident	96 Å²	96	48.1 Å²	48.1	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-42.7	174.2	-174.8	-179.5	9.2	0	0	112.3	V169 K170 L171 M176 C177	V169-Q173 WeakPolarHBondContact O-CB 3.44Å; V169-Q173 PolarHBondContact O-N 3.04Å; K170-Q173 PolarHBondContact O-N 2.87Å; L171-Q173 VanDerWaalsContact C-N 3.29Å; L171-Q173 PolarHBondContact O-N 2.89Å; Q173-M176 HydrophobicContact CG-CE 4.48Å; Q173-M176 PolarHBondContact O-N 3.13Å; Q173-C177 WeakPolarHBondContact O-CB 3.38Å; Q173-C177 PolarHBondContact O-N 3.45Å
174	Y	73.1	Confident	78.9	Confident	52 Å²	52	40.3 Å²	40.3	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-49	175.6	170.2	-88.4	0	0	0	111.9	E157 I158 I161 K170 L171 M176 C177 Q178	E157-Y174 VanDerWaalsContact OE1-CE2 3.24Å; E157-Y174 WeakPolarHBondContact OE1-CE2 3.43Å; E157-Y174 VanDerWaalsContact OE1-CZ 3.25Å; E157-Y174 PolarHBondContact OE1-OH 2.95Å; E157-Y174 PolarHBondContact OE2-OH 3.38Å; I158-Y174 HydrophobicContact CD1-CD1 4.1Å; I158-Y174 HydrophobicContact CD1-CE1 3.78Å; I161-Y174 HydrophobicContact CD1-CD1 3.9Å; I161-Y174 HydrophobicContact CD1-CD2 3.41Å; I161-Y174 VanDerWaalsContact CD1-CD2 3.41Å; I161-Y174 HydrophobicContact CD1-CE1 4.24Å; I161-Y174 HydrophobicContact CD1-CE2 3.75Å; I161-Y174 HydrophobicContact CD1-CG 3.48Å; I161-Y174 VanDerWaalsContact CD1-CG 3.48Å; K170-Y174 WeakPolarHBondContact O-CB 3.49Å; K170-Y174 PolarHBondContact O-N 2.89Å; L171-Y174 HydrophobicContact CD1-CD1 4.42Å; L171-Y174 WeakPolarHBondContact O-CB 3.49Å; L171-Y174 PolarHBondContact O-N 2.91Å; Y174-M176 VanDerWaalsContact C-N 3.3Å; Y174-M176 PolarHBondContact O-N 3.42Å; Y174-C177 WeakPolarHBondContact O-CB 3.42Å; Y174-C177 PolarHBondContact O-N 3.49Å; Y174-C177 VanDerWaalsContact O-N 3.11Å; Y174-Q178 HydrophobicContact CE1-CG 4.1Å; Y174-Q178 VanDerWaalsContact CE1-OE1 3.22Å; Y174-Q178 PolarHBondContact O-N 3.46Å; Y174-Q178 PolarHBondContact OH-NE2 2.8Å
175	L	79.8	Confident	79.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-39	178	-68.4	175.4	0	0	0	111.5	L134 L138 I158 L171 L172 Q178 L179	L134-L175 HydrophobicContact CB-CD1 4.01Å; L134-L175 HydrophobicContact CB-CD2 4.21Å; L134-L175 HydrophobicContact CD1-CD1 4.16Å; L138-L175 HydrophobicContact CB-CD1 3.93Å; L138-L175 HydrophobicContact CD1-CD1 4.36Å; I158-L175 HydrophobicContact CD1-CD2 4.16Å; L171-L175 HydrophobicContact CD1-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CG 4.18Å; L171-L175 HydrophobicContact CG-CD1 4.18Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 WeakPolarHBondContact O-CG 3.26Å; L171-L175 PolarHBondContact O-N 3.5Å; L172-L175 PolarHBondContact O-N 3.02Å; L175-Q178 PolarHBondContact O-N 3.16Å; L175-L179 PolarHBondContact O-N 3.33Å
176	M	72.3	Confident	80.1	Confident	24 Å²	24	31 Å²	31	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-43.5	173.3	-174.5	-168	71.2	0	0	111.3	L172 Q173 Y174 Q178 L179 C180 V299 F349	L172-M176 VanDerWaalsContact O-CB 3.22Å; L172-M176 WeakPolarHBondContact O-CB 3.16Å; L172-M176 PolarHBondContact O-N 2.88Å; Q173-M176 HydrophobicContact CG-CE 4.48Å; Q173-M176 PolarHBondContact O-N 3.13Å; Y174-M176 VanDerWaalsContact C-N 3.3Å; Y174-M176 PolarHBondContact O-N 3.42Å; M176-Q178 VanDerWaalsContact C-N 3.3Å; M176-Q178 PolarHBondContact O-N 3.35Å; M176-L179 WeakPolarHBondContact O-CB 3.13Å; M176-L179 PolarHBondContact O-N 2.74Å; M176-L179 VanDerWaalsContact O-N 3.15Å; M176-C180 PolarHBondContact O-N 2.84Å; M176-C180 PolarHBondContact O-SG 3.49Å; M176-V299 HydrophobicContact CG-CG1 4.26Å; M176-V299 HydrophobicContact CG-CG2 4.28Å; M176-V299 HydrophobicContact SD-CG2 3.92Å; M176-F349 HydrophobicContact CE-CE1 3.72Å; M176-F349 HydrophobicContact CE-CZ 4.06Å
177	C	66.4	Low	80.9	Confident	55 Å²	55	28.6 Å²	28.6	37%	0.372	15%	0.151	S	C	.	.	H	α-helix	trans	-62.1	-39.2	176.7	-165.8	0	0	0	0	111.6	Q173 Y174 C180 A181	Q173-C177 WeakPolarHBondContact O-CB 3.38Å; Q173-C177 PolarHBondContact O-N 3.45Å; Y174-C177 WeakPolarHBondContact O-CB 3.42Å; Y174-C177 PolarHBondContact O-N 3.49Å; Y174-C177 VanDerWaalsContact O-N 3.11Å; C177-C180 PolarHBondContact O-N 2.81Å; C177-A181 WeakPolarHBondContact O-CB 3.27Å; C177-A181 PolarHBondContact O-N 3.43Å; C177-A181 VanDerWaalsContact O-N 3.12Å
178	Q	68.2	Low	81.5	Confident	70 Å²	70	28.3 Å²	28.3	33%	0.327	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-40.9	173.3	-69.5	-172.8	-47.7	0	0	111.9	Y174 L175 M176 C180 A181 T182	Y174-Q178 HydrophobicContact CE1-CG 4.1Å; Y174-Q178 VanDerWaalsContact CE1-OE1 3.22Å; Y174-Q178 PolarHBondContact O-N 3.46Å; Y174-Q178 PolarHBondContact OH-NE2 2.8Å; L175-Q178 PolarHBondContact O-N 3.16Å; M176-Q178 VanDerWaalsContact C-N 3.3Å; M176-Q178 PolarHBondContact O-N 3.35Å; Q178-C180 VanDerWaalsContact C-N 3.32Å; Q178-C180 PolarHBondContact O-N 2.93Å; Q178-A181 PolarHBondContact O-N 2.8Å; Q178-T182 PolarHBondContact O-N 2.83Å
179	L	66.4	Low	82.1	Confident	19 Å²	19	27.3 Å²	27.3	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-37.5	175.6	-169.8	65.2	0	0	0	112.4	C136 E137 K140 L175 M176 A181 T182	C136-L179 HydrophobicContact CB-CB 3.9Å; C136-L179 HydrophobicContact CB-CD1 4.06Å; E137-L179 HydrophobicContact CG-CD1 4.43Å; K140-L179 HydrophobicContact CG-CD2 4.06Å; L175-L179 PolarHBondContact O-N 3.33Å; M176-L179 WeakPolarHBondContact O-CB 3.13Å; M176-L179 PolarHBondContact O-N 2.74Å; M176-L179 VanDerWaalsContact O-N 3.15Å; L179-A181 VanDerWaalsContact C-N 3.26Å; L179-A181 PolarHBondContact O-N 2.82Å; L179-T182 PolarHBondContact O-OG1 3.01Å
180	C	63.7	Low	82.8	Confident	11 Å²	11	22.7 Å²	22.7	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-68.4	-29.7	177	-60.7	0	0	0	0	112.3	M176 C177 Q178 V299 Y301	M176-C180 PolarHBondContact O-N 2.84Å; M176-C180 PolarHBondContact O-SG 3.49Å; C177-C180 PolarHBondContact O-N 2.81Å; Q178-C180 VanDerWaalsContact C-N 3.32Å; Q178-C180 PolarHBondContact O-N 2.93Å; C180-V299 WeakPolarHBondContact SG-CG1 3.37Å; C180-Y301 VanDerWaalsContact O-CD1 3.27Å; C180-Y301 WeakPolarHBondContact O-CD1 3.2Å
181	A	71.7	Confident	83.7	Confident	6 Å²	6	18.4 Å²	18.4	5%	0.05	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.4	-176.9	0	0	0	0	0	113.4	C177 Q178 L179 A548 F549 L554	C177-A181 WeakPolarHBondContact O-CB 3.27Å; C177-A181 PolarHBondContact O-N 3.43Å; C177-A181 VanDerWaalsContact O-N 3.12Å; Q178-A181 PolarHBondContact O-N 2.8Å; L179-A181 VanDerWaalsContact C-N 3.26Å; L179-A181 PolarHBondContact O-N 2.82Å; A181-A548 CarbonylContact O-C 3.37Å; A181-A548 VanDerWaalsContact O-CA 3.27Å; A181-A548 WeakPolarHBondContact O-CA 3.23Å; A181-F549 WeakPolarHBondContact O-CD2 3.33Å; A181-F549 PolarHBondContact O-N 2.77Å; A181-L554 HydrophobicContact CB-CD1 3.86Å
182	T	81.9	Confident	84.3	Confident	10 Å²	10	18.5 Å²	18.5	6%	0.061	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.1	178.5	65.8	0	0	0	0	114.1	Q178 L179 R285 Y301 V512 E546 Y547 A548	Q178-T182 PolarHBondContact O-N 2.83Å; L179-T182 PolarHBondContact O-OG1 3.01Å; T182-R285 PolarHBondContact O-NH1 3.23Å; T182-Y301 VanDerWaalsContact O-CE1 3.27Å; T182-Y301 WeakPolarHBondContact O-CE1 3.33Å; T182-Y301 PolarHBondContact O-OH 3.25Å; T182-V512 HydrophobicContact CG2-CG2 4.16Å; T182-E546 PolarHBondContact OG1-OE1 3.39Å; T182-Y547 CarbonylContact C-O 3.56Å; T182-Y547 WeakPolarHBondContact CA-O 3.41Å; T182-A548 HydrophobicContact CG2-CB 3.8Å
183	F	89.1	Confident	84.8	Confident	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	158.9	176	70.1	-78.3	0	0	0	110.5	V185 D228 V229 Y301 F303 L371 I420 L509 E546 Y547 F549	F183-V185 HydrophobicContact CD2-CG2 3.77Å; F183-V185 HydrophobicContact CE2-CG2 3.42Å; F183-V185 VanDerWaalsContact CE2-CG2 3.42Å; F183-V185 HydrophobicContact CZ-CG2 4.48Å; F183-D228 WeakPolarHBondContact CA-OD2 3.36Å; F183-D228 HydrophobicContact CB-CB 4.02Å; F183-V229 HydrophobicContact CD2-CG2 4.4Å; F183-Y301 WeakPolarHBondContact CA-OH 3.33Å; F183-Y301 HydrophobicContact CB-CE2 4.39Å; F183-Y301 WeakPolarHBondContact CB-OH 3.23Å; F183-F303 HydrophobicContact CB-CE2 4.11Å; F183-F303 HydrophobicContact CB-CZ 4.21Å; F183-F303 HydrophobicContact CD1-CZ 4.41Å; F183-F303 HydrophobicContact CD2-CE2 4.17Å; F183-F303 AromaticContact CD2-CZ 3.95Å; F183-F303 HydrophobicContact CD2-CZ 3.95Å; F183-F303 HydrophobicContact CE2-CZ 4.4Å; F183-F303 HydrophobicContact CG-CE2 4.24Å; F183-F303 AromaticContact CG-CZ 3.94Å; F183-F303 HydrophobicContact CG-CZ 3.94Å; F183-L371 HydrophobicContact CD2-CD2 4.48Å; F183-L371 HydrophobicContact CE2-CD2 3.61Å; F183-L371 HydrophobicContact CZ-CD1 4.17Å; F183-L371 HydrophobicContact CZ-CD2 3.69Å; F183-I420 HydrophobicContact CE2-CD1 3.84Å; F183-I420 HydrophobicContact CZ-CD1 3.87Å; F183-L509 HydrophobicContact CE1-CD2 3.86Å; F183-L509 HydrophobicContact CZ-CD2 3.9Å; F183-E546 WeakPolarHBondContact O-CA 3.43Å; F183-Y547 PolarHBondContact N-O 2.65Å; F183-Y547 PolarHBondContact O-N 3.08Å; F183-F549 HydrophobicContact CD1-CD2 4.05Å; F183-F549 AromaticContact CD1-CE2 3.52Å; F183-F549 HydrophobicContact CD1-CE2 3.52Å; F183-F549 HydrophobicContact CD1-CZ 4.18Å; F183-F549 AromaticContact CE1-CD2 3.87Å; F183-F549 HydrophobicContact CE1-CD2 3.87Å; F183-F549 HydrophobicContact CE1-CE1 4.28Å; F183-F549 AromaticContact CE1-CE2 3.33Å; F183-F549 HydrophobicContact CE1-CE2 3.33Å; F183-F549 AromaticContact CE1-CZ 3.58Å; F183-F549 HydrophobicContact CE1-CZ 3.58Å; F183-F549 HydrophobicContact CZ-CE2 4.24Å; F183-F549 HydrophobicContact CZ-CZ 4.08Å
184	T	94.6	Very high	85.8	Confident	24 Å²	24	22.8 Å²	22.8	15%	0.147	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.1	-177.1	48.3	0	0	0	0	111.6	P227 D228 V229 V545 E546	T184-P227 VanDerWaalsContact OG1-CA 3.25Å; T184-P227 WeakPolarHBondContact OG1-CA 3.44Å; T184-D228 PolarHBondContact N-OD2 3.32Å; T184-D228 WeakPolarHBondContact O-CA 3.47Å; T184-D228 PolarHBondContact O-N 2.86Å; T184-D228 PolarHBondContact OG1-N 3.21Å; T184-D228 PolarHBondContact OG1-OD2 3.02Å; T184-V229 PolarHBondContact O-N 3Å; T184-V545 CarbonylContact C-O 3.19Å; T184-V545 VanDerWaalsContact CA-O 3.26Å; T184-V545 WeakPolarHBondContact CA-O 3.17Å; T184-E546 HydrophobicContact CG2-CB 4.03Å; T184-E546 HydrophobicContact CG2-CG 4.09Å
185	V	98.4	Very high	86.9	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.4	178.4	-174.5	0	0	0	0	110.2	F183 V229 I420 L544 V545 Y547	F183-V185 HydrophobicContact CD2-CG2 3.77Å; F183-V185 HydrophobicContact CE2-CG2 3.42Å; F183-V185 VanDerWaalsContact CE2-CG2 3.42Å; F183-V185 HydrophobicContact CZ-CG2 4.48Å; V185-V229 CarbonylContact C-O 3.43Å; V185-V229 WeakPolarHBondContact CA-O 3.41Å; V185-V229 HydrophobicContact CG1-CB 4.38Å; V185-V229 HydrophobicContact CG1-CG1 4.44Å; V185-V229 HydrophobicContact CG2-CB 4.2Å; V185-I420 HydrophobicContact CG1-CG2 4.26Å; V185-I420 HydrophobicContact CG2-CD1 3.65Å; V185-L544 WeakPolarHBondContact O-CA 3.2Å; V185-V545 PolarHBondContact N-O 2.94Å; V185-V545 PolarHBondContact O-N 3.36Å; V185-Y547 HydrophobicContact CG2-CD2 4.31Å
186	M	98.7	Very high	87.7	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.7	175.1	-177.2	175.6	-79.1	0	0	111.4	M222 H225 P227 V229 I230 S231 P542 L543 L544	M186-M222 HydrophobicContact SD-CB 4.43Å; M186-M222 HydrophobicContact SD-CG 3.79Å; M186-H225 HydrophobicContact CE-CB 3.73Å; M186-P227 HydrophobicContact CB-CB 3.7Å; M186-P227 HydrophobicContact CB-CG 3.96Å; M186-P227 HydrophobicContact CE-CG 4.07Å; M186-P227 HydrophobicContact SD-CG 4.12Å; M186-V229 PolarHBondContact N-O 2.78Å; M186-I230 HydrophobicContact CB-CG2 4.44Å; M186-S231 PolarHBondContact O-N 2.87Å; M186-S231 PolarHBondContact O-OG 2.78Å; M186-P542 HydrophobicContact CE-CB 4.31Å; M186-P542 HydrophobicContact CG-CB 4.28Å; M186-P542 HydrophobicContact SD-CB 4.3Å; M186-L543 CarbonylContact C-O 3.52Å; M186-L543 WeakPolarHBondContact CA-O 3.17Å; M186-L544 HydrophobicContact CB-CD1 4.07Å; M186-L544 HydrophobicContact CE-CD1 4.24Å
187	C	98.7	Very high	88.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.3	168.1	-178.6	0	0	0	0	109.6	S231 C422 G423 V502 P542 L543	C187-S231 WeakPolarHBondContact CA-O 3.34Å; C187-S231 WeakPolarHBondContact CA-OG 3.45Å; C187-C422 HydrophobicContact CB-CB 3.94Å; C187-G423 VanDerWaalsContact SG-CA 3.59Å; C187-G423 PolarHBondContact SG-N 3.5Å; C187-V502 HydrophobicContact CB-CG2 3.72Å; C187-P542 WeakPolarHBondContact O-CA 3.18Å; C187-L543 HydrophobicContact CB-CB 4.27Å; C187-L543 PolarHBondContact N-O 3.37Å; C187-L543 PolarHBondContact O-N 3.43Å
188	Y	98.6	Very high	90.2	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	116.3	-173.7	-164.7	-178	0	0	0	112.5	I218 E221 S231 L232 Q233 H540 P542	Y188-I218 HydrophobicContact CD1-CG2 4.29Å; Y188-I218 HydrophobicContact CE1-CG1 4.47Å; Y188-I218 HydrophobicContact CE1-CG2 3.91Å; Y188-E221 WeakPolarHBondContact CE1-OE2 3.42Å; Y188-E221 PolarHBondContact OH-OE2 3.49Å; Y188-S231 PolarHBondContact N-O 2.8Å; Y188-L232 VanDerWaalsContact O-CA 3.28Å; Y188-L232 WeakPolarHBondContact O-CA 3.4Å; Y188-Q233 PolarHBondContact O-N 2.81Å; Y188-H540 WeakPolarHBondContact CE2-O 3.39Å; Y188-P542 HydrophobicContact CD1-CB 3.89Å; Y188-P542 HydrophobicContact CD1-CG 4.5Å; Y188-P542 HydrophobicContact CD2-CB 4.22Å; Y188-P542 HydrophobicContact CE1-CB 4.19Å; Y188-P542 HydrophobicContact CE1-CG 4.3Å; Y188-P542 HydrophobicContact CG-CB 3.88Å
189	N	98.6	Very high	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.3	164.5	-174.6	-22.5	0	0	0	109.3	L191 Q233 E234 D424 S538 H540	N189-L191 VanDerWaalsContact C-N 3.27Å; N189-L191 PolarHBondContact O-N 2.84Å; N189-L191 PolarHBondContact OD1-N 2.89Å; N189-L191 VanDerWaalsContact OD1-N 3.07Å; N189-Q233 HydrophobicContact CB-CB 4.16Å; N189-E234 PolarHBondContact ND2-OE1 2.85Å; N189-E234 VanDerWaalsContact ND2-OE1 3.1Å; N189-E234 WeakPolarHBondContact OD1-CB 3.25Å; N189-E234 VanDerWaalsContact OD1-CG 3.27Å; N189-E234 WeakPolarHBondContact OD1-CG 3.25Å; N189-D424 PolarHBondContact ND2-OD2 3.35Å; N189-S538 PolarHBondContact O-OG 2.69Å; N189-H540 HydrophobicContact CB-CB 4.01Å
190	V	98.4	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.			trans	-81.7	-4.4	-171.4	-58.4	0	0	0	0	113.9	W211 R214 I218 L232 Q233 E234 V235	V190-W211 HydrophobicContact CG2-CH2 4.41Å; V190-R214 PolarHBondContact O-NH1 3.18Å; V190-R214 VanDerWaalsContact O-NH1 3.17Å; V190-I218 HydrophobicContact CB-CD1 4.07Å; V190-I218 HydrophobicContact CG1-CG2 4.01Å; V190-I218 WeakPolarHBondContact O-CD1 3.28Å; V190-L232 HydrophobicContact CG1-CB 4.42Å; V190-L232 HydrophobicContact CG1-CD1 4.31Å; V190-L232 HydrophobicContact CG1-CD2 4.06Å; V190-Q233 WeakPolarHBondContact CG2-O 3.43Å; V190-Q233 PolarHBondContact N-O 2.78Å; V190-Q233 VanDerWaalsContact N-O 3.11Å; V190-E234 WeakPolarHBondContact CG2-O 3.36Å; V190-V235 HydrophobicContact CG1-CG2 4.47Å; V190-V235 HydrophobicContact CG2-CG2 4.02Å
191	L	98.2	Very high	94.3	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.169	C	C	.	.			trans	51.5	94.9	-168.9	177.5	68.1	0	0	0	110.6	N189 A196 Y201 R214 E234 P532	N189-L191 VanDerWaalsContact C-N 3.27Å; N189-L191 PolarHBondContact O-N 2.84Å; N189-L191 PolarHBondContact OD1-N 2.89Å; N189-L191 VanDerWaalsContact OD1-N 3.07Å; L191-A196 HydrophobicContact CD2-CB 4.09Å; L191-A196 HydrophobicContact CG-CB 4.27Å; L191-Y201 HydrophobicContact CD1-CE2 4.37Å; L191-Y201 WeakPolarHBondContact CD1-OH 3.4Å; L191-Y201 HydrophobicContact CD2-CE2 4.11Å; L191-R214 PolarHBondContact O-NH1 2.84Å; L191-R214 PolarHBondContact O-NH2 3.44Å; L191-E234 WeakPolarHBondContact CA-OE2 3.37Å; L191-P532 HydrophobicContact CD2-CG 3.39Å
192	S	96.6	Very high	95.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	20%	0.196	C	C	.	.			trans	-57.5	150.2	-179.9	144.8	0	0	0	0	111.1	K194 Y195 A196 E234 E236	S192-K194 PolarHBondContact O-N 3.21Å; S192-K194 VanDerWaalsContact O-N 3.17Å; S192-K194 WeakPolarHBondContact OG-CB 3.17Å; S192-K194 PolarHBondContact OG-N 2.94Å; S192-Y195 PolarHBondContact O-N 3.11Å; S192-A196 PolarHBondContact O-N 3.47Å; S192-E234 VanDerWaalsContact CB-O 3.22Å; S192-E234 WeakPolarHBondContact CB-O 3.48Å; S192-E234 PolarHBondContact N-OE2 2.77Å; S192-E236 PolarHBondContact OG-OE1 2.64Å
193	D	95.3	Very high	96	Very high	75 Å²	75	38.1 Å²	38.1	40%	0.401	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.9	179	-166.9	44.1	0	0	0	111.9	Y195 A196 W211 E236	D193-Y195 PolarHBondContact O-N 3.08Å; D193-A196 PolarHBondContact O-N 3.47Å; D193-W211 HydrophobicContact CB-CB 3.79Å; D193-W211 HydrophobicContact CB-CD2 4.35Å; D193-W211 HydrophobicContact CB-CG 3.99Å; D193-W211 VanDerWaalsContact CG-CB 3.43Å; D193-W211 VanDerWaalsContact OD1-CB 3.23Å; D193-W211 WeakPolarHBondContact OD1-CB 3.3Å; D193-E236 PolarHBondContact N-OE1 2.64Å
194	K	94.1	Very high	96.3	Very high	125 Å²	125	38.4 Å²	38.4	54%	0.543	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.9	174.5	-174.8	174.5	-178.6	169.8	0	113.7	S192	S192-K194 PolarHBondContact O-N 3.21Å; S192-K194 VanDerWaalsContact O-N 3.17Å; S192-K194 WeakPolarHBondContact OG-CB 3.17Å; S192-K194 PolarHBondContact OG-N 2.94Å
195	Y	95.4	Very high	96.4	Very high	78 Å²	78	39.9 Å²	39.9	31%	0.306	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-21	-177.6	-59.1	-62.2	0	0	0	112.5	S192 D193 S197 Y201 E234	S192-Y195 PolarHBondContact O-N 3.11Å; D193-Y195 PolarHBondContact O-N 3.08Å; Y195-S197 PolarHBondContact O-N 3.21Å; Y195-Y201 WeakPolarHBondContact O-CE2 3.22Å; Y195-E234 WeakPolarHBondContact CD2-OE2 3.41Å; Y195-E234 HydrophobicContact CE2-CG 4.41Å
196	A	96.1	Very high	96.4	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	25%	0.247	C	C	.	.			trans	-73.6	52.5	178.3	0	0	0	0	0	113.8	L191 S192 D193 L209	L191-A196 HydrophobicContact CD2-CB 4.09Å; L191-A196 HydrophobicContact CG-CB 4.27Å; S192-A196 PolarHBondContact O-N 3.47Å; D193-A196 PolarHBondContact O-N 3.47Å; A196-L209 HydrophobicContact CB-CD1 3.9Å; A196-L209 HydrophobicContact CB-CG 4.33Å; A196-L209 WeakPolarHBondContact O-CD2 3.17Å; A196-L209 WeakPolarHBondContact O-CG 3.46Å
197	S	94.9	Very high	96.3	Very high	39 Å²	39	52.8 Å²	52.8	27%	0.273	27%	0.273	S	S	.	.			trans	-71.4	132.5	-177.9	179	0	0	0	0	112.4	Y195 I199 V200 Y201	Y195-S197 PolarHBondContact O-N 3.21Å; S197-I199 PolarHBondContact O-N 3.07Å; S197-I199 PolarHBondContact OG-N 3.11Å; S197-V200 PolarHBondContact O-N 3.1Å; S197-Y201 WeakPolarHBondContact O-CD2 3.41Å; S197-Y201 PolarHBondContact O-N 3.4Å
198	P	95.9	Very high	96.2	Very high	69 Å²	69	52.9 Å²	52.9	45%	0.448	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.1	172.9	-25.5	33.8	0	0	0	114.6	S202 L206 L209	P198-S202 WeakPolarHBondContact O-CA 3.49Å; P198-S202 PolarHBondContact O-N 2.97Å; P198-L206 HydrophobicContact CB-CD2 3.74Å; P198-L206 HydrophobicContact CG-CD2 3.84Å; P198-L209 HydrophobicContact CB-CD2 4.21Å; P198-L209 HydrophobicContact CG-CD2 3.98Å
199	I	94.7	Very high	96.2	Very high	146 Å²	146	53.1 Å²	53.1	75%	0.749	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-43.8	177	-60.7	173.5	0	0	0	110.1	S197	S197-I199 PolarHBondContact O-N 3.07Å; S197-I199 PolarHBondContact OG-N 3.11Å
200	V	94	Very high	96.2	Very high	70 Å²	70	57 Å²	57	42%	0.424	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-45.6	179.7	178.5	0	0	0	0	110.2	S197 S202	S197-V200 PolarHBondContact O-N 3.1Å; V200-S202 PolarHBondContact O-N 3.37Å
201	Y	96.3	Very high	96.1	Very high	14 Å²	14	57.9 Å²	57.9	6%	0.055	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	46.8	-177	-55.2	-77.9	0	0	0	111.8	L191 Y195 S197 Y203 C204 L209 T492 C531 P532 D539	L191-Y201 HydrophobicContact CD1-CE2 4.37Å; L191-Y201 WeakPolarHBondContact CD1-OH 3.4Å; L191-Y201 HydrophobicContact CD2-CE2 4.11Å; Y195-Y201 WeakPolarHBondContact O-CE2 3.22Å; S197-Y201 WeakPolarHBondContact O-CD2 3.41Å; S197-Y201 PolarHBondContact O-N 3.4Å; Y201-Y203 HydrophobicContact CD1-CE2 4.43Å; Y201-Y203 AromaticContact CD1-CZ 3.92Å; Y201-Y203 WeakPolarHBondContact CD1-OH 3.32Å; Y201-Y203 PolarHBondContact O-N 3.02Å; Y201-Y203 VanDerWaalsContact O-N 3.12Å; Y201-C204 WeakPolarHBondContact O-CB 3.47Å; Y201-C204 PolarHBondContact O-N 3.41Å; Y201-L209 HydrophobicContact CD2-CD1 4.12Å; Y201-L209 HydrophobicContact CG-CD1 4.14Å; Y201-T492 HydrophobicContact CE1-CG2 4.14Å; Y201-C531 WeakPolarHBondContact CD1-O 3.34Å; Y201-C531 WeakPolarHBondContact CE1-O 3.45Å; Y201-P532 HydrophobicContact CD1-CG 4.47Å; Y201-D539 HydrophobicContact CE1-CB 4.02Å; Y201-D539 PolarHBondContact OH-OD2 3.13Å
202	S	95.1	Very high	96.1	Very high	88 Å²	88	60 Å²	60	62%	0.615	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.3	-175.8	56.8	0	0	0	0	114.6	P198 V200	P198-S202 WeakPolarHBondContact O-CA 3.49Å; P198-S202 PolarHBondContact O-N 2.97Å; V200-S202 PolarHBondContact O-N 3.37Å
203	Y	94.6	Very high	96.1	Very high	59 Å²	59	63.4 Å²	63.4	23%	0.231	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.4	172.8	52	-98.7	0	0	0	113.6	Y201 N493 V529 G530 C531	Y201-Y203 HydrophobicContact CD1-CE2 4.43Å; Y201-Y203 AromaticContact CD1-CZ 3.92Å; Y201-Y203 WeakPolarHBondContact CD1-OH 3.32Å; Y201-Y203 PolarHBondContact O-N 3.02Å; Y201-Y203 VanDerWaalsContact O-N 3.12Å; Y203-N493 HydrophobicContact CD1-CB 4.07Å; Y203-N493 HydrophobicContact CE1-CB 3.63Å; Y203-V529 HydrophobicContact CD1-CG2 4.43Å; Y203-V529 HydrophobicContact CG-CG2 4.08Å; Y203-G530 WeakPolarHBondContact CE2-O 3.38Å; Y203-C531 PolarHBondContact OH-O 3.39Å
204	C	96.4	Very high	96.3	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.054	31%	0.308	C	S	.	.	S	Bend	trans	-90.2	127.2	-178.4	-167.5	0	0	0	0	110.1	Y201 L206 L209 P532	Y201-C204 WeakPolarHBondContact O-CB 3.47Å; Y201-C204 PolarHBondContact O-N 3.41Å; C204-L206 PolarHBondContact O-N 2.95Å; C204-L209 HydrophobicContact CB-CD1 4.42Å; C204-P532 WeakPolarHBondContact CB-O 3.31Å; C204-P532 PolarHBondContact SG-O 3.06Å
205	P	96.5	Very high	96.5	Very high	54 Å²	54	56.9 Å²	56.9	35%	0.351	29%	0.294	S	S	.	.			trans	-56.4	135.6	174.3	-24.5	33.8	0	0	0	111.7	W207 A208 L209 P534	P205-W207 HydrophobicContact CB-CG 4.47Å; P205-W207 PolarHBondContact O-N 3.03Å; P205-A208 HydrophobicContact CB-CB 4.42Å; P205-A208 WeakPolarHBondContact O-CA 3.24Å; P205-A208 WeakPolarHBondContact O-CB 3.3Å; P205-A208 PolarHBondContact O-N 2.73Å; P205-L209 PolarHBondContact O-N 3.02Å; P205-P534 HydrophobicContact CG-CG 4.31Å
206	L	97.4	Very high	96.6	Very high	123 Å²	123	59.4 Å²	59.4	64%	0.644	30%	0.303	S	S	*	.	H	α-helix	trans	-53.8	-36	-174.8	-65.4	178.6	0	0	0	113.9	P198 C204 A208 L209 N210	P198-L206 HydrophobicContact CB-CD2 3.74Å; P198-L206 HydrophobicContact CG-CD2 3.84Å; C204-L206 PolarHBondContact O-N 2.95Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 2.96Å; L206-L209 PolarHBondContact O-N 3.1Å; L206-N210 PolarHBondContact O-N 3.2Å
207	W	97.2	Very high	96.7	Very high	149 Å²	149	60.6 Å²	60.6	56%	0.564	31%	0.312	S	S	*	.	H	α-helix	trans	-68.7	-31.5	178.2	67.8	-99.3	0	0	0	112.7	P205 N210 Y213 P534	P205-W207 HydrophobicContact CB-CG 4.47Å; P205-W207 PolarHBondContact O-N 3.03Å; W207-N210 WeakPolarHBondContact O-CB 3.5Å; W207-Y213 HydrophobicContact CE3-CD2 4.23Å; W207-Y213 HydrophobicContact CE3-CE2 4.28Å; W207-Y213 HydrophobicContact CE3-CG 4.43Å; W207-Y213 HydrophobicContact CZ3-CD1 4.43Å; W207-Y213 HydrophobicContact CZ3-CD2 4.05Å; W207-Y213 HydrophobicContact CZ3-CE1 4.04Å; W207-Y213 AromaticContact CZ3-CE2 3.64Å; W207-Y213 HydrophobicContact CZ3-CE2 3.64Å; W207-Y213 HydrophobicContact CZ3-CG 4.43Å; W207-Y213 AromaticContact CZ3-CZ 3.62Å; W207-Y213 WeakPolarHBondContact O-CB 3.25Å; W207-P534 HydrophobicContact CH2-CB 3.77Å; W207-P534 HydrophobicContact CH2-CG 4Å; W207-P534 HydrophobicContact CZ2-CB 4.21Å; W207-P534 HydrophobicContact CZ2-CG 3.95Å
208	A	96.9	Very high	96.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-82.4	-30.3	177.3	0	0	0	0	0	111.4	P205 L206 N210 Y213 R214 P534	P205-A208 HydrophobicContact CB-CB 4.42Å; P205-A208 WeakPolarHBondContact O-CA 3.24Å; P205-A208 WeakPolarHBondContact O-CB 3.3Å; P205-A208 PolarHBondContact O-N 2.73Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 2.96Å; A208-N210 VanDerWaalsContact C-N 3.31Å; A208-Y213 HydrophobicContact CB-CD1 4.44Å; A208-Y213 HydrophobicContact CB-CE1 4.4Å; A208-R214 WeakPolarHBondContact O-CG 2.97Å; A208-P534 HydrophobicContact CB-CB 4.32Å; A208-P534 HydrophobicContact CB-CG 3.83Å
209	L	97.8	Very high	97	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-27.6	172.8	-166.8	62	0	0	0	112.3	A196 P198 Y201 C204 P205 L206 W211 R214 P532	A196-L209 HydrophobicContact CB-CD1 3.9Å; A196-L209 HydrophobicContact CB-CG 4.33Å; A196-L209 WeakPolarHBondContact O-CD2 3.17Å; A196-L209 WeakPolarHBondContact O-CG 3.46Å; P198-L209 HydrophobicContact CB-CD2 4.21Å; P198-L209 HydrophobicContact CG-CD2 3.98Å; Y201-L209 HydrophobicContact CD2-CD1 4.12Å; Y201-L209 HydrophobicContact CG-CD1 4.14Å; C204-L209 HydrophobicContact CB-CD1 4.42Å; P205-L209 PolarHBondContact O-N 3.02Å; L206-L209 PolarHBondContact O-N 3.1Å; L209-W211 PolarHBondContact O-N 3.2Å; L209-R214 VanDerWaalsContact O-CD 3.25Å; L209-R214 WeakPolarHBondContact O-CD 3.37Å; L209-R214 PolarHBondContact O-NE 2.9Å; L209-P532 HydrophobicContact CD1-CG 4.31Å
210	N	97.9	Very high	97.2	Very high	83 Å²	83	54.8 Å²	54.8	44%	0.444	27%	0.272	S	S	.	.	S	Bend	trans	-56	128.1	-179.2	-173.3	-80.3	0	0	0	112.5	L206 W207 A208 S212 Y213 R214	L206-N210 PolarHBondContact O-N 3.2Å; W207-N210 WeakPolarHBondContact O-CB 3.5Å; A208-N210 VanDerWaalsContact C-N 3.31Å; N210-S212 VanDerWaalsContact C-N 3.27Å; N210-S212 PolarHBondContact O-N 2.87Å; N210-S212 VanDerWaalsContact OD1-CB 3.23Å; N210-S212 WeakPolarHBondContact OD1-CB 3.46Å; N210-S212 PolarHBondContact OD1-N 3.36Å; N210-Y213 WeakPolarHBondContact O-CB 3.24Å; N210-Y213 PolarHBondContact O-N 3.01Å; N210-R214 PolarHBondContact O-N 3.05Å; N210-R214 VanDerWaalsContact O-N 3.08Å
211	W	97.8	Very high	97.2	Very high	18 Å²	18	54 Å²	54	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-36.4	-178.9	176.1	-122.5	0	0	0	115.1	V190 D193 L209 Y213 R214 R215 I218 Q239 F244	V190-W211 HydrophobicContact CG2-CH2 4.41Å; D193-W211 HydrophobicContact CB-CB 3.79Å; D193-W211 HydrophobicContact CB-CD2 4.35Å; D193-W211 HydrophobicContact CB-CG 3.99Å; D193-W211 VanDerWaalsContact CG-CB 3.43Å; D193-W211 VanDerWaalsContact OD1-CB 3.23Å; D193-W211 WeakPolarHBondContact OD1-CB 3.3Å; L209-W211 PolarHBondContact O-N 3.2Å; W211-Y213 PolarHBondContact O-N 3.47Å; W211-R214 HydrophobicContact CE3-CB 4.25Å; W211-R214 PolarHBondContact O-N 3.25Å; W211-R215 HydrophobicContact CD2-CB 3.92Å; W211-R215 HydrophobicContact CE3-CB 4.14Å; W211-R215 HydrophobicContact CH2-CB 3.84Å; W211-R215 HydrophobicContact CZ2-CB 3.57Å; W211-R215 HydrophobicContact CZ3-CB 4.11Å; W211-R215 WeakPolarHBondContact O-CB 3.38Å; W211-R215 VanDerWaalsContact O-CG 3.25Å; W211-R215 WeakPolarHBondContact O-CG 3.26Å; W211-R215 PolarHBondContact O-N 3.23Å; W211-I218 HydrophobicContact CZ3-CD1 4.04Å; W211-Q239 HydrophobicContact CZ2-CB 4.13Å; W211-Q239 HydrophobicContact CZ2-CG 3.99Å; W211-F244 HydrophobicContact CH2-CE2 4.1Å; W211-F244 AromaticContact CH2-CZ 3.99Å; W211-F244 HydrophobicContact CH2-CZ 3.99Å; W211-F244 AromaticContact CZ2-CE2 4Å; W211-F244 HydrophobicContact CZ2-CE2 4Å; W211-F244 HydrophobicContact CZ2-CZ 4.24Å
212	S	97.1	Very high	97.3	Very high	47 Å²	47	53.4 Å²	53.4	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-32.5	178.5	-68.6	0	0	0	0	112	N210 R216	N210-S212 VanDerWaalsContact C-N 3.27Å; N210-S212 PolarHBondContact O-N 2.87Å; N210-S212 VanDerWaalsContact OD1-CB 3.23Å; N210-S212 WeakPolarHBondContact OD1-CB 3.46Å; N210-S212 PolarHBondContact OD1-N 3.36Å; S212-R216 PolarHBondContact O-NE 3.44Å; S212-R216 PolarHBondContact O-NH1 2.85Å; S212-R216 PolarHBondContact O-NH2 3.1Å
213	Y	97.9	Very high	97.2	Very high	73 Å²	73	50.3 Å²	50.3	29%	0.286	24%	0.238	S	C	.	.	H	α-helix	trans	-73.8	-55.9	171.7	-179.4	-96.4	0	0	0	111.2	W207 A208 N210 W211 R215 R216 A217 P534	W207-Y213 HydrophobicContact CE3-CD2 4.23Å; W207-Y213 HydrophobicContact CE3-CE2 4.28Å; W207-Y213 HydrophobicContact CE3-CG 4.43Å; W207-Y213 HydrophobicContact CZ3-CD1 4.43Å; W207-Y213 HydrophobicContact CZ3-CD2 4.05Å; W207-Y213 HydrophobicContact CZ3-CE1 4.04Å; W207-Y213 AromaticContact CZ3-CE2 3.64Å; W207-Y213 HydrophobicContact CZ3-CE2 3.64Å; W207-Y213 HydrophobicContact CZ3-CG 4.43Å; W207-Y213 AromaticContact CZ3-CZ 3.62Å; W207-Y213 WeakPolarHBondContact O-CB 3.25Å; A208-Y213 HydrophobicContact CB-CD1 4.44Å; A208-Y213 HydrophobicContact CB-CE1 4.4Å; N210-Y213 WeakPolarHBondContact O-CB 3.24Å; N210-Y213 PolarHBondContact O-N 3.01Å; W211-Y213 PolarHBondContact O-N 3.47Å; Y213-R215 PolarHBondContact O-N 3.5Å; Y213-R216 PolarHBondContact O-N 3.04Å; Y213-A217 PolarHBondContact O-N 2.95Å; Y213-P534 PolarHBondContact OH-O 3.44Å
214	R	98.4	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-46.9	-174.6	-61.4	-171.6	-46	101.9	-4.6	112.6	V190 L191 A208 L209 N210 W211 R216 A217 I218 P537	V190-R214 PolarHBondContact O-NH1 3.18Å; V190-R214 VanDerWaalsContact O-NH1 3.17Å; L191-R214 PolarHBondContact O-NH1 2.84Å; L191-R214 PolarHBondContact O-NH2 3.44Å; A208-R214 WeakPolarHBondContact O-CG 2.97Å; L209-R214 VanDerWaalsContact O-CD 3.25Å; L209-R214 WeakPolarHBondContact O-CD 3.37Å; L209-R214 PolarHBondContact O-NE 2.9Å; N210-R214 PolarHBondContact O-N 3.05Å; N210-R214 VanDerWaalsContact O-N 3.08Å; W211-R214 HydrophobicContact CE3-CB 4.25Å; W211-R214 PolarHBondContact O-N 3.25Å; R214-R216 VanDerWaalsContact C-N 3.25Å; R214-R216 PolarHBondContact O-N 3.25Å; R214-A217 WeakPolarHBondContact O-CB 3.4Å; R214-A217 PolarHBondContact O-N 3.24Å; R214-I218 HydrophobicContact CB-CD1 4.39Å; R214-I218 VanDerWaalsContact O-CG1 3.29Å; R214-I218 WeakPolarHBondContact O-CG1 3.33Å; R214-I218 PolarHBondContact O-N 2.9Å; R214-P537 HydrophobicContact CB-CB 3.97Å; R214-P537 WeakPolarHBondContact CD-O 3.37Å; R214-P537 HydrophobicContact CG-CB 4.24Å; R214-P537 PolarHBondContact NH1-O 3.01Å
215	R	98.2	Very high	97.1	Very high	63 Å²	63	53.1 Å²	53.1	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-34.6	-178.6	76.6	-174.8	176.6	175.9	-4.7	113.4	W211 Y213 L219 F243	W211-R215 HydrophobicContact CD2-CB 3.92Å; W211-R215 HydrophobicContact CE3-CB 4.14Å; W211-R215 HydrophobicContact CH2-CB 3.84Å; W211-R215 HydrophobicContact CZ2-CB 3.57Å; W211-R215 HydrophobicContact CZ3-CB 4.11Å; W211-R215 WeakPolarHBondContact O-CB 3.38Å; W211-R215 VanDerWaalsContact O-CG 3.25Å; W211-R215 WeakPolarHBondContact O-CG 3.26Å; W211-R215 PolarHBondContact O-N 3.23Å; Y213-R215 PolarHBondContact O-N 3.5Å; R215-L219 VanDerWaalsContact O-CB 3.26Å; R215-L219 WeakPolarHBondContact O-CB 3.32Å; R215-L219 PolarHBondContact O-N 3.23Å; R215-F243 HydrophobicContact CB-CD1 4.17Å; R215-F243 HydrophobicContact CB-CE1 3.68Å; R215-F243 HydrophobicContact CB-CZ 4.08Å; R215-F243 HydrophobicContact CG-CD1 4.23Å; R215-F243 HydrophobicContact CG-CE1 3.75Å; R215-F243 HydrophobicContact CG-CE2 4.07Å; R215-F243 HydrophobicContact CG-CZ 3.67Å; R215-F243 WeakPolarHBondContact O-CE1 3.38Å; R215-F243 WeakPolarHBondContact O-CZ 3.25Å
216	R	98.2	Very high	96.9	Very high	132 Å²	132	57 Å²	57	50%	0.498	28%	0.278	S	S	.	.	H	α-helix	trans	-71.3	-42.5	175.7	-70.7	-170.1	-60.6	-97.1	-3.3	111.2	S212 Y213 R214 L219 Q220 F243	S212-R216 PolarHBondContact O-NE 3.44Å; S212-R216 PolarHBondContact O-NH1 2.85Å; S212-R216 PolarHBondContact O-NH2 3.1Å; Y213-R216 PolarHBondContact O-N 3.04Å; R214-R216 VanDerWaalsContact C-N 3.25Å; R214-R216 PolarHBondContact O-N 3.25Å; R216-L219 PolarHBondContact O-N 3.44Å; R216-Q220 WeakPolarHBondContact O-CB 3.37Å; R216-Q220 VanDerWaalsContact O-CG 3.28Å; R216-Q220 WeakPolarHBondContact O-CG 3.27Å; R216-Q220 PolarHBondContact O-N 3.34Å; R216-F243 HydrophobicContact CG-CZ 4.49Å
217	A	98.2	Very high	96.7	Very high	30 Å²	30	51.2 Å²	51.2	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-45.4	176.8	0	0	0	0	0	111.5	Y213 R214 L219 Q220 E221 P537	Y213-A217 PolarHBondContact O-N 2.95Å; R214-A217 WeakPolarHBondContact O-CB 3.4Å; R214-A217 PolarHBondContact O-N 3.24Å; A217-L219 VanDerWaalsContact C-N 3.35Å; A217-L219 PolarHBondContact O-N 3.19Å; A217-Q220 PolarHBondContact O-N 3.35Å; A217-E221 PolarHBondContact O-N 3.33Å; A217-P537 HydrophobicContact CB-CB 3.78Å; A217-P537 HydrophobicContact CB-CG 3.83Å
218	I	98.6	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-47.5	175.2	-66.9	165.4	0	0	0	110.6	Y188 V190 W211 R214 Q220 E221 M222 F244 P537	Y188-I218 HydrophobicContact CD1-CG2 4.29Å; Y188-I218 HydrophobicContact CE1-CG1 4.47Å; Y188-I218 HydrophobicContact CE1-CG2 3.91Å; V190-I218 HydrophobicContact CB-CD1 4.07Å; V190-I218 HydrophobicContact CG1-CG2 4.01Å; V190-I218 WeakPolarHBondContact O-CD1 3.28Å; W211-I218 HydrophobicContact CZ3-CD1 4.04Å; R214-I218 HydrophobicContact CB-CD1 4.39Å; R214-I218 VanDerWaalsContact O-CG1 3.29Å; R214-I218 WeakPolarHBondContact O-CG1 3.33Å; R214-I218 PolarHBondContact O-N 2.9Å; I218-Q220 VanDerWaalsContact C-N 3.35Å; I218-Q220 PolarHBondContact O-N 3.01Å; I218-E221 PolarHBondContact O-N 3.03Å; I218-M222 HydrophobicContact CG2-CE 4.28Å; I218-M222 WeakPolarHBondContact O-CG 3.37Å; I218-M222 PolarHBondContact O-N 2.75Å; I218-F244 HydrophobicContact CG2-CE1 4.29Å; I218-P537 HydrophobicContact CD1-CB 4.33Å; I218-P537 HydrophobicContact CD1-CG 4.45Å; I218-P537 HydrophobicContact CG1-CB 3.8Å; I218-P537 HydrophobicContact CG1-CG 3.49Å; I218-P537 VanDerWaalsContact CG1-CG 3.49Å
219	L	98.4	Very high	96.5	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-43.1	176.8	177.7	67.1	0	0	0	112.1	R215 R216 A217 M222 I223 F243 E247 L248	R215-L219 VanDerWaalsContact O-CB 3.26Å; R215-L219 WeakPolarHBondContact O-CB 3.32Å; R215-L219 PolarHBondContact O-N 3.23Å; R216-L219 PolarHBondContact O-N 3.44Å; A217-L219 VanDerWaalsContact C-N 3.35Å; A217-L219 PolarHBondContact O-N 3.19Å; L219-M222 HydrophobicContact CD1-CE 4.19Å; L219-M222 PolarHBondContact O-N 3.07Å; L219-I223 HydrophobicContact CD1-CD1 3.72Å; L219-I223 HydrophobicContact CD1-CG1 4.18Å; L219-I223 HydrophobicContact CD2-CD1 4.28Å; L219-I223 HydrophobicContact CG-CD1 3.63Å; L219-I223 HydrophobicContact CG-CG1 4.44Å; L219-I223 WeakPolarHBondContact O-CB 3.22Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.41Å; L219-I223 PolarHBondContact O-N 2.99Å; L219-F243 HydrophobicContact CB-CE1 4.15Å; L219-F243 HydrophobicContact CB-CZ 4.11Å; L219-F243 HydrophobicContact CD2-CE1 4.2Å; L219-F243 HydrophobicContact CD2-CE2 4.31Å; L219-F243 HydrophobicContact CD2-CZ 3.66Å; L219-F243 HydrophobicContact CG-CZ 4.48Å; L219-E247 HydrophobicContact CD1-CB 4Å; L219-E247 HydrophobicContact CD2-CB 3.53Å; L219-E247 HydrophobicContact CD2-CG 3.73Å; L219-E247 HydrophobicContact CG-CB 4.41Å; L219-L248 HydrophobicContact CD1-CD2 3.88Å; L219-L248 HydrophobicContact CD1-CG 4.03Å
220	Q	97.5	Very high	96.6	Very high	124 Å²	124	43.8 Å²	43.8	58%	0.579	22%	0.219	S	C	*	.	H	α-helix	trans	-66.4	-36.7	178.2	-72.7	-60.4	-37.8	0	0	112.5	R216 A217 I218 G224	R216-Q220 WeakPolarHBondContact O-CB 3.37Å; R216-Q220 VanDerWaalsContact O-CG 3.28Å; R216-Q220 WeakPolarHBondContact O-CG 3.27Å; R216-Q220 PolarHBondContact O-N 3.34Å; A217-Q220 PolarHBondContact O-N 3.35Å; I218-Q220 VanDerWaalsContact C-N 3.35Å; I218-Q220 PolarHBondContact O-N 3.01Å; Q220-G224 WeakPolarHBondContact O-CA 3.43Å; Q220-G224 PolarHBondContact O-N 2.94Å
221	E	95.5	Very high	96.6	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-48.2	174	-172.4	170.2	-156.2	0	0	110.9	Y188 A217 I218 G224 H225 P542	Y188-E221 WeakPolarHBondContact CE1-OE2 3.42Å; Y188-E221 PolarHBondContact OH-OE2 3.49Å; A217-E221 PolarHBondContact O-N 3.33Å; I218-E221 PolarHBondContact O-N 3.03Å; E221-G224 PolarHBondContact O-N 2.92Å; E221-H225 PolarHBondContact O-CD2 2.82Å; E221-H225 PolarHBondContact O-N 2.97Å; E221-P542 HydrophobicContact CG-CG 4.3Å; E221-P542 VanDerWaalsContact OE1-CG 3.22Å; E221-P542 WeakPolarHBondContact OE1-CG 3.24Å
222	M	96.9	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-49.5	174.8	-67.3	-168.5	-62.8	0	0	112	M186 I218 L219 G224 H225 K226 P227 I230 L232 F244 L248	M186-M222 HydrophobicContact SD-CB 4.43Å; M186-M222 HydrophobicContact SD-CG 3.79Å; I218-M222 HydrophobicContact CG2-CE 4.28Å; I218-M222 WeakPolarHBondContact O-CG 3.37Å; I218-M222 PolarHBondContact O-N 2.75Å; L219-M222 HydrophobicContact CD1-CE 4.19Å; L219-M222 PolarHBondContact O-N 3.07Å; M222-G224 VanDerWaalsContact C-N 3.31Å; M222-G224 PolarHBondContact O-N 2.7Å; M222-H225 PolarHBondContact O-N 3.16Å; M222-K226 PolarHBondContact O-N 3.45Å; M222-P227 WeakPolarHBondContact O-CD 3.5Å; M222-I230 HydrophobicContact CB-CD1 4.49Å; M222-I230 HydrophobicContact SD-CD1 4.17Å; M222-I230 HydrophobicContact SD-CG2 3.91Å; M222-L232 HydrophobicContact SD-CD1 4.1Å; M222-L232 HydrophobicContact SD-CD2 3.9Å; M222-F244 HydrophobicContact CE-CD1 3.8Å; M222-F244 HydrophobicContact CE-CE1 3.72Å; M222-L248 HydrophobicContact CE-CD1 4.2Å; M222-L248 HydrophobicContact CE-CD2 4.38Å
223	I	94.9	Very high	96.7	Very high	24 Å²	24	36.8 Å²	36.8	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-36.9	179.3	-68.1	164.5	0	0	0	111.2	L219 K226 H251	L219-I223 HydrophobicContact CD1-CD1 3.72Å; L219-I223 HydrophobicContact CD1-CG1 4.18Å; L219-I223 HydrophobicContact CD2-CD1 4.28Å; L219-I223 HydrophobicContact CG-CD1 3.63Å; L219-I223 HydrophobicContact CG-CG1 4.44Å; L219-I223 WeakPolarHBondContact O-CB 3.22Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.41Å; L219-I223 PolarHBondContact O-N 2.99Å; I223-K226 WeakPolarHBondContact O-CG 3.38Å; I223-K226 PolarHBondContact O-N 2.94Å; I223-H251 WeakPolarHBondContact CD1-CE1 3.22Å
224	G	93.8	Very high	96.7	Very high	54 Å²	54	34.1 Å²	34.1	56%	0.557	17%	0.169	S	C	*	.	H	α-helix	trans	-63	-45.4	179.5	0	0	0	0	0	112.3	Q220 E221 M222 K226	Q220-G224 WeakPolarHBondContact O-CA 3.43Å; Q220-G224 PolarHBondContact O-N 2.94Å; E221-G224 PolarHBondContact O-N 2.92Å; M222-G224 VanDerWaalsContact C-N 3.31Å; M222-G224 PolarHBondContact O-N 2.7Å; G224-K226 VanDerWaalsContact C-N 3.35Å
225	H	93.7	Very high	96.7	Very high	71 Å²	71	34.1 Å²	34.1	33%	0.329	17%	0.169	S	C	.	.	H	α-helix	trans	-74.7	-22.4	177.1	-73.2	-61.6	0	0	0	113.9	M186 E221 M222 L544	M186-H225 HydrophobicContact CE-CB 3.73Å; E221-H225 PolarHBondContact O-CD2 2.82Å; E221-H225 PolarHBondContact O-N 2.97Å; M222-H225 PolarHBondContact O-N 3.16Å; H225-L544 HydrophobicContact CB-CD2 3.93Å
226	K	91.8	Very high	96.7	Very high	137 Å²	137	31.8 Å²	31.8	60%	0.596	16%	0.161	S	C	*	.			trans	49.5	50.7	-178.3	-54.2	174.3	-173.7	163.5	0	112.8	M222 I223 G224 K282	M222-K226 PolarHBondContact O-N 3.45Å; I223-K226 WeakPolarHBondContact O-CG 3.38Å; I223-K226 PolarHBondContact O-N 2.94Å; G224-K226 VanDerWaalsContact C-N 3.35Å; K226-K282 WeakPolarHBondContact O-CE 3.46Å; K226-K282 PolarHBondContact O-NZ 3.42Å
227	P	95	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.			trans	-60.9	149.4	177.3	29.6	-36.6	0	0	0	111.5	T184 M186 M222 I230 Y253 K282 L544	T184-P227 VanDerWaalsContact OG1-CA 3.25Å; T184-P227 WeakPolarHBondContact OG1-CA 3.44Å; M186-P227 HydrophobicContact CB-CB 3.7Å; M186-P227 HydrophobicContact CB-CG 3.96Å; M186-P227 HydrophobicContact CE-CG 4.07Å; M186-P227 HydrophobicContact SD-CG 4.12Å; M222-P227 WeakPolarHBondContact O-CD 3.5Å; P227-I230 HydrophobicContact CB-CG1 4.07Å; P227-I230 HydrophobicContact CG-CD1 3.68Å; P227-I230 HydrophobicContact CG-CG1 3.38Å; P227-Y253 WeakPolarHBondContact O-CE1 3.16Å; P227-Y253 PolarHBondContact O-OH 3.28Å; P227-K282 VanDerWaalsContact O-CE 3.25Å; P227-K282 WeakPolarHBondContact O-CE 3.31Å; P227-L544 HydrophobicContact CB-CD1 3.83Å
228	D	92.8	Very high	96.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.138	C	C	.	.	S	Bend	trans	-84.6	-29.6	178.8	-57.7	-60.7	0	0	0	112.2	F183 T184 W281 K282 R285 Y301 F303	F183-D228 WeakPolarHBondContact CA-OD2 3.36Å; F183-D228 HydrophobicContact CB-CB 4.02Å; T184-D228 PolarHBondContact N-OD2 3.32Å; T184-D228 WeakPolarHBondContact O-CA 3.47Å; T184-D228 PolarHBondContact O-N 2.86Å; T184-D228 PolarHBondContact OG1-N 3.21Å; T184-D228 PolarHBondContact OG1-OD2 3.02Å; D228-W281 CarbonylContact O-C 3.53Å; D228-W281 VanDerWaalsContact O-CA 3.24Å; D228-W281 WeakPolarHBondContact O-CA 3.4Å; D228-K282 PolarHBondContact O-N 2.85Å; D228-K282 IonicContact OD1-NZ 3.98Å; D228-K282 PolarHBondContact OD1-NZ 3.36Å; D228-R285 IonicContact OD1-NE 3.31Å; D228-R285 IonicContact OD2-NH1 2.77Å; D228-Y301 VanDerWaalsContact CG-OH 3.23Å; D228-Y301 PolarHBondContact OD2-OH 2.86Å; D228-F303 HydrophobicContact CB-CE2 4.25Å
229	V	97.1	Very high	96.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.1	171.4	-179	0	0	0	0	109.1	F183 T184 V185 M186 F280 W281 F303 L343 V373	F183-V229 HydrophobicContact CD2-CG2 4.4Å; T184-V229 PolarHBondContact O-N 3Å; V185-V229 CarbonylContact C-O 3.43Å; V185-V229 WeakPolarHBondContact CA-O 3.41Å; V185-V229 HydrophobicContact CG1-CB 4.38Å; V185-V229 HydrophobicContact CG1-CG1 4.44Å; V185-V229 HydrophobicContact CG2-CB 4.2Å; M186-V229 PolarHBondContact N-O 2.78Å; V229-F280 CarbonylContact C-O 3.58Å; V229-F280 WeakPolarHBondContact CA-O 3.28Å; V229-W281 HydrophobicContact CG2-CB 4.47Å; V229-F303 HydrophobicContact CG2-CD2 4.2Å; V229-F303 HydrophobicContact CG2-CE2 4.05Å; V229-L343 HydrophobicContact CG1-CD1 4.3Å; V229-L343 HydrophobicContact CG2-CD1 3.78Å; V229-V373 HydrophobicContact CG1-CG1 3.95Å; V229-V373 HydrophobicContact CG1-CG2 4.17Å
230	I	98.6	Very high	96.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.8	179.2	-51.7	173.2	0	0	0	108.2	M186 M222 P227 L232 Y253 M279 F280	M186-I230 HydrophobicContact CB-CG2 4.44Å; M222-I230 HydrophobicContact CB-CD1 4.49Å; M222-I230 HydrophobicContact SD-CD1 4.17Å; M222-I230 HydrophobicContact SD-CG2 3.91Å; P227-I230 HydrophobicContact CB-CG1 4.07Å; P227-I230 HydrophobicContact CG-CD1 3.68Å; P227-I230 HydrophobicContact CG-CG1 3.38Å; I230-L232 HydrophobicContact CG2-CD1 4.44Å; I230-L232 HydrophobicContact CG2-CD2 3.53Å; I230-L232 HydrophobicContact CG2-CG 3.8Å; I230-Y253 HydrophobicContact CD1-CD1 4.11Å; I230-Y253 HydrophobicContact CD1-CE1 3.7Å; I230-Y253 HydrophobicContact CG1-CE1 4.2Å; I230-M279 CarbonylContact O-C 3.42Å; I230-M279 VanDerWaalsContact O-CA 3.26Å; I230-M279 WeakPolarHBondContact O-CA 3.38Å; I230-F280 HydrophobicContact CB-CB 4.16Å; I230-F280 HydrophobicContact CD1-CB 4.33Å; I230-F280 PolarHBondContact N-O 2.62Å; I230-F280 PolarHBondContact O-N 3.26Å
231	S	98.5	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.1	168.6	62.3	0	0	0	0	109.8	M186 C187 Y188 C422	M186-S231 PolarHBondContact O-N 2.87Å; M186-S231 PolarHBondContact O-OG 2.78Å; C187-S231 WeakPolarHBondContact CA-O 3.34Å; C187-S231 WeakPolarHBondContact CA-OG 3.45Å; Y188-S231 PolarHBondContact N-O 2.8Å; S231-C422 WeakPolarHBondContact OG-CB 3.35Å
232	L	98.7	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.1	-178	-55.2	-179.6	0	0	0	111.2	Y188 V190 M222 I230 V235 C277 A278 F280	Y188-L232 VanDerWaalsContact O-CA 3.28Å; Y188-L232 WeakPolarHBondContact O-CA 3.4Å; V190-L232 HydrophobicContact CG1-CB 4.42Å; V190-L232 HydrophobicContact CG1-CD1 4.31Å; V190-L232 HydrophobicContact CG1-CD2 4.06Å; M222-L232 HydrophobicContact SD-CD1 4.1Å; M222-L232 HydrophobicContact SD-CD2 3.9Å; I230-L232 HydrophobicContact CG2-CD1 4.44Å; I230-L232 HydrophobicContact CG2-CD2 3.53Å; I230-L232 HydrophobicContact CG2-CG 3.8Å; L232-V235 HydrophobicContact CB-CG2 3.47Å; L232-V235 VanDerWaalsContact CB-CG2 3.47Å; L232-V235 HydrophobicContact CD1-CG2 3.96Å; L232-V235 HydrophobicContact CG-CG2 4.38Å; L232-C277 WeakPolarHBondContact O-CA 3.5Å; L232-A278 HydrophobicContact CB-CB 4.26Å; L232-A278 PolarHBondContact N-O 3.18Å; L232-A278 PolarHBondContact O-N 2.99Å; L232-F280 HydrophobicContact CD1-CD2 4.24Å; L232-F280 HydrophobicContact CD1-CE2 3.93Å
233	Q	98.5	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155.4	170.7	-56	78.3	53.1	0	0	109.7	Y188 N189 V190 V235 T375 H377 D424	Y188-Q233 PolarHBondContact O-N 2.81Å; N189-Q233 HydrophobicContact CB-CB 4.16Å; V190-Q233 WeakPolarHBondContact CG2-O 3.43Å; V190-Q233 PolarHBondContact N-O 2.78Å; V190-Q233 VanDerWaalsContact N-O 3.11Å; Q233-V235 VanDerWaalsContact C-N 3.3Å; Q233-V235 PolarHBondContact O-N 3.04Å; Q233-T375 PolarHBondContact NE2-OG1 3.08Å; Q233-H377 HydrophobicContact CB-CB 4.2Å; Q233-H377 HydrophobicContact CG-CB 4.1Å; Q233-D424 HydrophobicContact CG-CB 4.45Å
234	E	98	Very high	97	Very high	17 Å²	17	32 Å²	32	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	31.5	-179	-57.5	-170.6	-171	0	0	114.9	N189 V190 L191 S192 Y195 G276 H377	N189-E234 PolarHBondContact ND2-OE1 2.85Å; N189-E234 VanDerWaalsContact ND2-OE1 3.1Å; N189-E234 WeakPolarHBondContact OD1-CB 3.25Å; N189-E234 VanDerWaalsContact OD1-CG 3.27Å; N189-E234 WeakPolarHBondContact OD1-CG 3.25Å; V190-E234 WeakPolarHBondContact CG2-O 3.36Å; L191-E234 WeakPolarHBondContact CA-OE2 3.37Å; S192-E234 VanDerWaalsContact CB-O 3.22Å; S192-E234 WeakPolarHBondContact CB-O 3.48Å; S192-E234 PolarHBondContact N-OE2 2.77Å; Y195-E234 WeakPolarHBondContact CD2-OE2 3.41Å; Y195-E234 HydrophobicContact CE2-CG 4.41Å; E234-G276 PolarHBondContact N-O 2.86Å; E234-H377 VanDerWaalsContact CG-CE1 3.45Å; E234-H377 WeakPolarHBondContact CG-CE1 3.44Å; E234-H377 IonicContact OE1-CE1 2.73Å; E234-H377 PolarHBondContact OE1-CE1 2.97Å; E234-H377 VanDerWaalsContact OE1-CE1 3.24Å; E234-H377 IonicContact OE1-NE2 3.56Å
235	V	98.4	Very high	97.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.8	174	-175.9	0	0	0	0	109.2	V190 L232 Q233 F240 F244 F257 D275 G276 A278	V190-V235 HydrophobicContact CG1-CG2 4.47Å; V190-V235 HydrophobicContact CG2-CG2 4.02Å; L232-V235 HydrophobicContact CB-CG2 3.47Å; L232-V235 VanDerWaalsContact CB-CG2 3.47Å; L232-V235 HydrophobicContact CD1-CG2 3.96Å; L232-V235 HydrophobicContact CG-CG2 4.38Å; Q233-V235 VanDerWaalsContact C-N 3.3Å; Q233-V235 PolarHBondContact O-N 3.04Å; V235-F240 HydrophobicContact CG1-CB 3.83Å; V235-F244 HydrophobicContact CG1-CD2 3.86Å; V235-F244 HydrophobicContact CG1-CE2 3.99Å; V235-F257 HydrophobicContact CB-CE2 4.28Å; V235-F257 WeakPolarHBondContact O-CE2 3.38Å; V235-D275 CarbonylContact O-C 3.53Å; V235-D275 VanDerWaalsContact O-CA 3.27Å; V235-D275 WeakPolarHBondContact O-CA 3.21Å; V235-G276 PolarHBondContact N-O 3.07Å; V235-G276 VanDerWaalsContact N-O 3.13Å; V235-G276 PolarHBondContact O-N 2.95Å; V235-A278 HydrophobicContact CB-CB 4.28Å; V235-A278 HydrophobicContact CG2-CB 4.03Å
236	E	97.7	Very high	97.4	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.065	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.9	173.4	-76.1	178.5	-144.6	0	0	112.2	S192 D193 E238 Q239 F240 H273	S192-E236 PolarHBondContact OG-OE1 2.64Å; D193-E236 PolarHBondContact N-OE1 2.64Å; E236-E238 VanDerWaalsContact C-N 3.34Å; E236-E238 PolarHBondContact O-N 2.9Å; E236-Q239 HydrophobicContact CB-CB 4.2Å; E236-Q239 HydrophobicContact CB-CG 3.9Å; E236-Q239 PolarHBondContact O-N 3.06Å; E236-F240 PolarHBondContact O-N 2.97Å; E236-H273 IonicContact OE2-ND1 2.78Å
237	T	97.9	Very high	97.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-52.3	-46.9	-176.5	-64.6	0	0	0	0	113.1	R241 F257 K272 V274	T237-R241 PolarHBondContact O-N 2.98Å; T237-F257 HydrophobicContact CG2-CE1 4.03Å; T237-F257 VanDerWaalsContact OG1-CE1 3.3Å; T237-F257 WeakPolarHBondContact OG1-CE1 3.46Å; T237-F257 WeakPolarHBondContact OG1-CZ 3.48Å; T237-K272 WeakPolarHBondContact CB-O 3.23Å; T237-K272 PolarHBondContact N-O 3.05Å; T237-V274 WeakPolarHBondContact CB-O 3.49Å; T237-V274 PolarHBondContact N-O 3.36Å; T237-V274 PolarHBondContact OG1-O 2.97Å
238	E	97.4	Very high	97.8	Very high	54 Å²	54	24.9 Å²	24.9	25%	0.252	12%	0.119	S	C	.	.	H	α-helix	trans	-67.8	-41.1	177.9	-170.4	176.8	-118.2	0	0	112	E236 F240 R241 L242 K272	E236-E238 VanDerWaalsContact C-N 3.34Å; E236-E238 PolarHBondContact O-N 2.9Å; E238-F240 VanDerWaalsContact C-N 3.35Å; E238-F240 PolarHBondContact O-N 3.3Å; E238-R241 PolarHBondContact O-N 2.95Å; E238-L242 HydrophobicContact CG-CD1 3.56Å; E238-L242 HydrophobicContact CG-CG 4.03Å; E238-L242 WeakPolarHBondContact O-CB 3.46Å; E238-L242 PolarHBondContact O-N 2.87Å; E238-K272 HydrophobicContact CB-CB 4.05Å; E238-K272 HydrophobicContact CB-CG 4.34Å; E238-K272 WeakPolarHBondContact CB-O 3.21Å; E238-K272 PolarHBondContact N-O 2.99Å
239	Q	97.9	Very high	97.9	Very high	19 Å²	19	31.8 Å²	31.8	9%	0.089	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-36.3	-177.9	-59.4	-55.8	-54.5	0	0	111.8	W211 E236 F243 F244	W211-Q239 HydrophobicContact CZ2-CB 4.13Å; W211-Q239 HydrophobicContact CZ2-CG 3.99Å; E236-Q239 HydrophobicContact CB-CB 4.2Å; E236-Q239 HydrophobicContact CB-CG 3.9Å; E236-Q239 PolarHBondContact O-N 3.06Å; Q239-F243 WeakPolarHBondContact O-CA 3.39Å; Q239-F243 WeakPolarHBondContact O-CB 3.3Å; Q239-F243 PolarHBondContact O-N 3.01Å; Q239-F244 HydrophobicContact CB-CD2 4.38Å; Q239-F244 HydrophobicContact CB-CE2 4.33Å; Q239-F244 WeakPolarHBondContact O-CD2 3.5Å; Q239-F244 PolarHBondContact O-N 2.96Å
240	F	98.4	Very high	97.8	Very high	20 Å²	20	38.5 Å²	38.5	9%	0.088	17%	0.173	C	C	.	.	I	π-helix	trans	-55.6	-52.5	170.3	175.1	-100.7	0	0	0	111	V235 E236 E238 V245 F257 A278 F280	V235-F240 HydrophobicContact CG1-CB 3.83Å; E236-F240 PolarHBondContact O-N 2.97Å; E238-F240 VanDerWaalsContact C-N 3.35Å; E238-F240 PolarHBondContact O-N 3.3Å; F240-V245 HydrophobicContact CD1-CG2 3.99Å; F240-V245 HydrophobicContact CD2-CG2 3.98Å; F240-V245 HydrophobicContact CE1-CG2 3.54Å; F240-V245 HydrophobicContact CE2-CG2 3.54Å; F240-V245 HydrophobicContact CG-CG2 4.19Å; F240-V245 HydrophobicContact CZ-CG2 3.3Å; F240-V245 WeakPolarHBondContact O-CB 3.5Å; F240-V245 VanDerWaalsContact O-CG2 3.32Å; F240-V245 WeakPolarHBondContact O-CG2 3.34Å; F240-V245 PolarHBondContact O-N 2.77Å; F240-F257 HydrophobicContact CB-CB 4.43Å; F240-F257 HydrophobicContact CB-CD2 4.2Å; F240-F257 HydrophobicContact CB-CG 4.13Å; F240-F257 HydrophobicContact CD1-CB 3.41Å; F240-F257 VanDerWaalsContact CD1-CB 3.41Å; F240-F257 HydrophobicContact CD1-CD1 4.18Å; F240-F257 AromaticContact CD1-CG 3.85Å; F240-F257 HydrophobicContact CD1-CG 3.85Å; F240-F257 HydrophobicContact CD2-CB 3.63Å; F240-F257 HydrophobicContact CD2-CD2 4.3Å; F240-F257 HydrophobicContact CD2-CG 4.15Å; F240-F257 HydrophobicContact CE1-CB 3.37Å; F240-F257 HydrophobicContact CE1-CG 4.3Å; F240-F257 HydrophobicContact CE2-CB 3.58Å; F240-F257 HydrophobicContact CG-CB 3.55Å; F240-F257 HydrophobicContact CG-CD1 4.39Å; F240-F257 HydrophobicContact CG-CD2 4.14Å; F240-F257 AromaticContact CG-CG 3.77Å; F240-F257 HydrophobicContact CG-CG 3.77Å; F240-F257 HydrophobicContact CZ-CB 3.46Å; F240-F257 VanDerWaalsContact CZ-CB 3.46Å; F240-A278 HydrophobicContact CD2-CB 3.84Å; F240-A278 HydrophobicContact CE2-CB 4.02Å; F240-F280 HydrophobicContact CD2-CE1 4.45Å; F240-F280 HydrophobicContact CD2-CE2 4.16Å; F240-F280 AromaticContact CD2-CZ 3.58Å; F240-F280 HydrophobicContact CD2-CZ 3.58Å; F240-F280 AromaticContact CE2-CE1 3.81Å; F240-F280 HydrophobicContact CE2-CE1 3.81Å; F240-F280 AromaticContact CE2-CE2 3.94Å; F240-F280 HydrophobicContact CE2-CE2 3.94Å; F240-F280 AromaticContact CE2-CZ 3.29Å; F240-F280 HydrophobicContact CE2-CZ 3.29Å; F240-F280 HydrophobicContact CZ-CZ 4.39Å
241	R	97.8	Very high	97.4	Very high	134 Å²	134	42.5 Å²	42.5	51%	0.506	19%	0.192	S	C	.	.	I	π-helix	trans	-72.1	-43.8	-173.6	-68.5	-173.8	-177.2	121.6	6.3	113.9	T237 E238 P246	T237-R241 PolarHBondContact O-N 2.98Å; E238-R241 PolarHBondContact O-N 2.95Å; R241-P246 VanDerWaalsContact O-CD 3.26Å; R241-P246 WeakPolarHBondContact O-CD 3.02Å; R241-P246 WeakPolarHBondContact O-CG 3.2Å
242	L	98	Very high	97.1	Very high	124 Å²	124	43.8 Å²	43.8	65%	0.649	21%	0.205	S	C	*	.	I	π-helix	trans	-95.1	-19.9	-170.2	-60	-172	0	0	0	113.5	E238	E238-L242 HydrophobicContact CG-CD1 3.56Å; E238-L242 HydrophobicContact CG-CG 4.03Å; E238-L242 WeakPolarHBondContact O-CB 3.46Å; E238-L242 PolarHBondContact O-N 2.87Å
243	F	98.5	Very high	96.9	Very high	23 Å²	23	44.1 Å²	44.1	10%	0.101	21%	0.206	C	C	.	.	I	π-helix	trans	-120.9	-64.6	-176.6	-179.2	-102.1	0	0	0	112.6	R215 R216 L219 Q239 P246 E247	R215-F243 HydrophobicContact CB-CD1 4.17Å; R215-F243 HydrophobicContact CB-CE1 3.68Å; R215-F243 HydrophobicContact CB-CZ 4.08Å; R215-F243 HydrophobicContact CG-CD1 4.23Å; R215-F243 HydrophobicContact CG-CE1 3.75Å; R215-F243 HydrophobicContact CG-CE2 4.07Å; R215-F243 HydrophobicContact CG-CZ 3.67Å; R215-F243 WeakPolarHBondContact O-CE1 3.38Å; R215-F243 WeakPolarHBondContact O-CZ 3.25Å; R216-F243 HydrophobicContact CG-CZ 4.49Å; L219-F243 HydrophobicContact CB-CE1 4.15Å; L219-F243 HydrophobicContact CB-CZ 4.11Å; L219-F243 HydrophobicContact CD2-CE1 4.2Å; L219-F243 HydrophobicContact CD2-CE2 4.31Å; L219-F243 HydrophobicContact CD2-CZ 3.66Å; L219-F243 HydrophobicContact CG-CZ 4.48Å; Q239-F243 WeakPolarHBondContact O-CA 3.39Å; Q239-F243 WeakPolarHBondContact O-CB 3.3Å; Q239-F243 PolarHBondContact O-N 3.01Å; F243-P246 WeakPolarHBondContact O-CD 3.13Å; F243-E247 HydrophobicContact CD2-CG 4.23Å; F243-E247 HydrophobicContact CE2-CG 4.12Å; F243-E247 WeakPolarHBondContact O-CB 3.46Å; F243-E247 VanDerWaalsContact O-CG 3.28Å; F243-E247 WeakPolarHBondContact O-CG 3.4Å; F243-E247 PolarHBondContact O-N 3.32Å; F243-E247 VanDerWaalsContact O-N 3.1Å
244	F	98.6	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-64.5	-49	-171.6	-72.9	-72.9	0	0	0	112.9	W211 I218 M222 V235 Q239 E247 L248 F280	W211-F244 HydrophobicContact CH2-CE2 4.1Å; W211-F244 AromaticContact CH2-CZ 3.99Å; W211-F244 HydrophobicContact CH2-CZ 3.99Å; W211-F244 AromaticContact CZ2-CE2 4Å; W211-F244 HydrophobicContact CZ2-CE2 4Å; W211-F244 HydrophobicContact CZ2-CZ 4.24Å; I218-F244 HydrophobicContact CG2-CE1 4.29Å; M222-F244 HydrophobicContact CE-CD1 3.8Å; M222-F244 HydrophobicContact CE-CE1 3.72Å; V235-F244 HydrophobicContact CG1-CD2 3.86Å; V235-F244 HydrophobicContact CG1-CE2 3.99Å; Q239-F244 HydrophobicContact CB-CD2 4.38Å; Q239-F244 HydrophobicContact CB-CE2 4.33Å; Q239-F244 WeakPolarHBondContact O-CD2 3.5Å; Q239-F244 PolarHBondContact O-N 2.96Å; F244-E247 PolarHBondContact O-N 2.79Å; F244-L248 HydrophobicContact CB-CD1 4.48Å; F244-L248 VanDerWaalsContact O-CB 3.22Å; F244-L248 WeakPolarHBondContact O-CB 3.1Å; F244-L248 WeakPolarHBondContact O-CG 3.38Å; F244-L248 PolarHBondContact O-N 2.91Å; F244-F280 HydrophobicContact CB-CE2 4.36Å; F244-F280 HydrophobicContact CB-CZ 3.77Å
245	V	98.1	Very high	96.8	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-52.5	-179.7	166.8	0	0	0	0	112.2	F240 E247 R249 F280	F240-V245 HydrophobicContact CD1-CG2 3.99Å; F240-V245 HydrophobicContact CD2-CG2 3.98Å; F240-V245 HydrophobicContact CE1-CG2 3.54Å; F240-V245 HydrophobicContact CE2-CG2 3.54Å; F240-V245 HydrophobicContact CG-CG2 4.19Å; F240-V245 HydrophobicContact CZ-CG2 3.3Å; F240-V245 WeakPolarHBondContact O-CB 3.5Å; F240-V245 VanDerWaalsContact O-CG2 3.32Å; F240-V245 WeakPolarHBondContact O-CG2 3.34Å; F240-V245 PolarHBondContact O-N 2.77Å; V245-E247 PolarHBondContact O-N 2.85Å; V245-R249 HydrophobicContact CG1-CG 4.42Å; V245-R249 VanDerWaalsContact O-CB 3.31Å; V245-R249 WeakPolarHBondContact O-CB 3.48Å; V245-R249 VanDerWaalsContact O-CG 3.26Å; V245-R249 WeakPolarHBondContact O-CG 3.32Å; V245-R249 PolarHBondContact O-N 2.98Å; V245-F280 HydrophobicContact CG2-CE1 3.74Å; V245-F280 HydrophobicContact CG2-CZ 4.11Å
246	P	98.2	Very high	96.8	Very high	48 Å²	48	47.8 Å²	47.8	31%	0.312	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-40.8	178.7	-26.3	36	0	0	0	113.6	R241 F243 K250	R241-P246 VanDerWaalsContact O-CD 3.26Å; R241-P246 WeakPolarHBondContact O-CD 3.02Å; R241-P246 WeakPolarHBondContact O-CG 3.2Å; F243-P246 WeakPolarHBondContact O-CD 3.13Å; P246-K250 WeakPolarHBondContact O-CG 3.35Å
247	E	97.8	Very high	96.8	Very high	54 Å²	54	48.3 Å²	48.3	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-73.6	-41.3	-178.6	-66.6	-54.3	138.1	0	0	112.8	L219 F243 F244 V245 K250 H251	L219-E247 HydrophobicContact CD1-CB 4Å; L219-E247 HydrophobicContact CD2-CB 3.53Å; L219-E247 HydrophobicContact CD2-CG 3.73Å; L219-E247 HydrophobicContact CG-CB 4.41Å; F243-E247 HydrophobicContact CD2-CG 4.23Å; F243-E247 HydrophobicContact CE2-CG 4.12Å; F243-E247 WeakPolarHBondContact O-CB 3.46Å; F243-E247 VanDerWaalsContact O-CG 3.28Å; F243-E247 WeakPolarHBondContact O-CG 3.4Å; F243-E247 PolarHBondContact O-N 3.32Å; F243-E247 VanDerWaalsContact O-N 3.1Å; F244-E247 PolarHBondContact O-N 2.79Å; V245-E247 PolarHBondContact O-N 2.85Å; E247-K250 WeakPolarHBondContact O-CB 3.21Å; E247-K250 PolarHBondContact O-N 3.35Å; E247-K250 IonicContact OE1-NZ 3.82Å; E247-K250 PolarHBondContact OE1-NZ 2.83Å; E247-K250 IonicContact OE2-NZ 3.59Å; E247-K250 PolarHBondContact OE2-NZ 3.06Å; E247-H251 PolarHBondContact O-ND1 3.47Å
248	L	96.8	Very high	96.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-71.8	-31.1	178.2	-72.1	171.6	0	0	0	112	L219 M222 F244 K250 H251 G252 Y253 F280	L219-L248 HydrophobicContact CD1-CD2 3.88Å; L219-L248 HydrophobicContact CD1-CG 4.03Å; M222-L248 HydrophobicContact CE-CD1 4.2Å; M222-L248 HydrophobicContact CE-CD2 4.38Å; F244-L248 HydrophobicContact CB-CD1 4.48Å; F244-L248 VanDerWaalsContact O-CB 3.22Å; F244-L248 WeakPolarHBondContact O-CB 3.1Å; F244-L248 WeakPolarHBondContact O-CG 3.38Å; F244-L248 PolarHBondContact O-N 2.91Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 3.05Å; L248-H251 CarbonylContact O-C 3.52Å; L248-H251 WeakPolarHBondContact O-CA 3.34Å; L248-H251 PolarHBondContact O-N 2.62Å; L248-G252 PolarHBondContact O-N 3.17Å; L248-Y253 HydrophobicContact CB-CD2 4.38Å; L248-Y253 HydrophobicContact CB-CG 4.34Å; L248-Y253 HydrophobicContact CD2-CD2 4.25Å; L248-Y253 WeakPolarHBondContact O-CD2 3.32Å; L248-Y253 PolarHBondContact O-N 3.34Å; L248-Y253 VanDerWaalsContact O-N 3.17Å; L248-F280 HydrophobicContact CB-CD1 4.36Å; L248-F280 HydrophobicContact CB-CE1 4.49Å; L248-F280 HydrophobicContact CD1-CB 4.41Å; L248-F280 HydrophobicContact CD1-CD1 3.64Å; L248-F280 HydrophobicContact CD1-CD2 3.81Å; L248-F280 HydrophobicContact CD1-CE1 3.7Å; L248-F280 HydrophobicContact CD1-CE2 3.88Å; L248-F280 HydrophobicContact CD1-CG 3.69Å; L248-F280 HydrophobicContact CD1-CZ 3.82Å
249	R	95.2	Very high	96.8	Very high	146 Å²	146	48.2 Å²	48.2	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-59.6	-36	172	-82.6	178.1	-176.7	156.7	4.8	113.3	V245 H251 G252 Y253 D254	V245-R249 HydrophobicContact CG1-CG 4.42Å; V245-R249 VanDerWaalsContact O-CB 3.31Å; V245-R249 WeakPolarHBondContact O-CB 3.48Å; V245-R249 VanDerWaalsContact O-CG 3.26Å; V245-R249 WeakPolarHBondContact O-CG 3.32Å; V245-R249 PolarHBondContact O-N 2.98Å; R249-H251 PolarHBondContact O-N 2.92Å; R249-H251 VanDerWaalsContact O-N 3.1Å; R249-G252 PolarHBondContact O-N 3.34Å; R249-G252 VanDerWaalsContact O-N 3.09Å; R249-Y253 WeakPolarHBondContact CA-O 3.24Å; R249-Y253 VanDerWaalsContact CG-O 3.27Å; R249-Y253 WeakPolarHBondContact CG-O 3.46Å; R249-D254 IonicContact NE-OD1 2.65Å; R249-D254 IonicContact NH2-OD1 2.91Å
250	K	94.3	Very high	96.7	Very high	140 Å²	140	47.9 Å²	47.9	61%	0.609	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.4	173.3	-63.5	168.3	-169.8	171.3	0	112.6	P246 E247 L248	P246-K250 WeakPolarHBondContact O-CG 3.35Å; E247-K250 WeakPolarHBondContact O-CB 3.21Å; E247-K250 PolarHBondContact O-N 3.35Å; E247-K250 IonicContact OE1-NZ 3.82Å; E247-K250 PolarHBondContact OE1-NZ 2.83Å; E247-K250 IonicContact OE2-NZ 3.59Å; E247-K250 PolarHBondContact OE2-NZ 3.06Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 3.05Å
251	H	91.5	Very high	96.5	Very high	85 Å²	85	47.7 Å²	47.7	39%	0.394	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	17.1	-178.8	-57.5	85.1	0	0	0	112.6	I223 E247 L248 R249 Y253	I223-H251 WeakPolarHBondContact CD1-CE1 3.22Å; E247-H251 PolarHBondContact O-ND1 3.47Å; L248-H251 CarbonylContact O-C 3.52Å; L248-H251 WeakPolarHBondContact O-CA 3.34Å; L248-H251 PolarHBondContact O-N 2.62Å; R249-H251 PolarHBondContact O-N 2.92Å; R249-H251 VanDerWaalsContact O-N 3.1Å; H251-Y253 HydrophobicContact CB-CD2 4.02Å; H251-Y253 HydrophobicContact CB-CE2 4.04Å; H251-Y253 WeakPolarHBondContact O-CD2 3.18Å; H251-Y253 WeakPolarHBondContact O-CE2 3.35Å
252	G	91	Very high	96.3	Very high	26 Å²	26	44.6 Å²	44.6	27%	0.268	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	15.6	172.8	0	0	0	0	0	115.6	L248 R249 T283	L248-G252 PolarHBondContact O-N 3.17Å; R249-G252 PolarHBondContact O-N 3.34Å; R249-G252 VanDerWaalsContact O-N 3.09Å; G252-T283 PolarHBondContact O-N 2.93Å; G252-T283 PolarHBondContact O-OG1 3.11Å
253	Y	94.8	Very high	96	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.9	177.4	-63.5	-102.6	0	0	0	112.5	P227 I230 L248 R249 H251 F280 W281 K282	P227-Y253 WeakPolarHBondContact O-CE1 3.16Å; P227-Y253 PolarHBondContact O-OH 3.28Å; I230-Y253 HydrophobicContact CD1-CD1 4.11Å; I230-Y253 HydrophobicContact CD1-CE1 3.7Å; I230-Y253 HydrophobicContact CG1-CE1 4.2Å; L248-Y253 HydrophobicContact CB-CD2 4.38Å; L248-Y253 HydrophobicContact CB-CG 4.34Å; L248-Y253 HydrophobicContact CD2-CD2 4.25Å; L248-Y253 WeakPolarHBondContact O-CD2 3.32Å; L248-Y253 PolarHBondContact O-N 3.34Å; L248-Y253 VanDerWaalsContact O-N 3.17Å; R249-Y253 WeakPolarHBondContact CA-O 3.24Å; R249-Y253 VanDerWaalsContact CG-O 3.27Å; R249-Y253 WeakPolarHBondContact CG-O 3.46Å; H251-Y253 HydrophobicContact CB-CD2 4.02Å; H251-Y253 HydrophobicContact CB-CE2 4.04Å; H251-Y253 WeakPolarHBondContact O-CD2 3.18Å; H251-Y253 WeakPolarHBondContact O-CE2 3.35Å; Y253-F280 HydrophobicContact CD1-CB 4.23Å; Y253-W281 WeakPolarHBondContact CA-O 3.46Å; Y253-K282 HydrophobicContact CD1-CG 3.9Å; Y253-K282 HydrophobicContact CD2-CG 4.43Å; Y253-K282 HydrophobicContact CE1-CD 4.5Å; Y253-K282 HydrophobicContact CE1-CG 3.46Å; Y253-K282 VanDerWaalsContact CE1-CG 3.46Å; Y253-K282 HydrophobicContact CE2-CG 4.06Å; Y253-K282 HydrophobicContact CG-CG 4.36Å; Y253-K282 WeakPolarHBondContact OH-CE 3.1Å
254	D	96	Very high	95.6	Very high	63 Å²	63	45.4 Å²	45.4	34%	0.337	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	168.4	159.6	-160	14.4	0	0	0	109	R249 F280 W281 T283	R249-D254 IonicContact NE-OD1 2.65Å; R249-D254 IonicContact NH2-OD1 2.91Å; D254-F280 CarbonylContact O-C 3.5Å; D254-F280 WeakPolarHBondContact O-CA 3.48Å; D254-F280 WeakPolarHBondContact O-CB 3.14Å; D254-W281 HydrophobicContact CB-CZ2 4.08Å; D254-W281 PolarHBondContact N-O 3.1Å; D254-W281 PolarHBondContact O-N 2.98Å; D254-T283 HydrophobicContact CB-CG2 3.46Å; D254-T283 VanDerWaalsContact CB-CG2 3.46Å
255	G	97.8	Very high	95.3	Very high	12 Å²	12	51.3 Å²	51.3	12%	0.124	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	163.6	-177.5	0	0	0	0	0	115.9	M279	G255-M279 CarbonylContact C-O 3.53Å; G255-M279 WeakPolarHBondContact CA-O 3.48Å
256	I	98.5	Very high	95	Very high	19 Å²	19	54.2 Å²	54.2	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.3	-179.8	56.5	172.9	0	0	0	110.2	A278 M279 W281 L305 E308 L339	I256-A278 CarbonylContact O-C 3.52Å; I256-A278 WeakPolarHBondContact O-CA 3.37Å; I256-M279 HydrophobicContact CD1-CB 4.49Å; I256-M279 HydrophobicContact CG1-CB 3.96Å; I256-M279 PolarHBondContact N-O 3.35Å; I256-M279 PolarHBondContact O-N 3.17Å; I256-W281 HydrophobicContact CD1-CZ3 4.46Å; I256-W281 HydrophobicContact CG1-CH2 4.28Å; I256-W281 HydrophobicContact CG1-CZ3 3.97Å; I256-W281 HydrophobicContact CG2-CH2 3.88Å; I256-W281 HydrophobicContact CG2-CZ3 4.44Å; I256-L305 HydrophobicContact CD1-CD1 4.34Å; I256-L305 HydrophobicContact CG2-CD2 3.73Å; I256-E308 VanDerWaalsContact CB-OE2 3.31Å; I256-E308 WeakPolarHBondContact CB-OE2 3.35Å; I256-E308 HydrophobicContact CD1-CB 3.85Å; I256-E308 WeakPolarHBondContact CG2-OE2 3.26Å; I256-L339 HydrophobicContact CD1-CD1 4.07Å; I256-L339 HydrophobicContact CD1-CD2 4.08Å; I256-L339 HydrophobicContact CD1-CG 4.1Å; I256-L339 HydrophobicContact CG1-CD2 3.95Å
257	F	98.5	Very high	94.8	Very high	25 Å²	25	56.2 Å²	56.2	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140.5	-177.4	168.9	-99.9	0	0	0	110.9	V235 T237 F240 P259 C277 A278	V235-F257 HydrophobicContact CB-CE2 4.28Å; V235-F257 WeakPolarHBondContact O-CE2 3.38Å; T237-F257 HydrophobicContact CG2-CE1 4.03Å; T237-F257 VanDerWaalsContact OG1-CE1 3.3Å; T237-F257 WeakPolarHBondContact OG1-CE1 3.46Å; T237-F257 WeakPolarHBondContact OG1-CZ 3.48Å; F240-F257 HydrophobicContact CB-CB 4.43Å; F240-F257 HydrophobicContact CB-CD2 4.2Å; F240-F257 HydrophobicContact CB-CG 4.13Å; F240-F257 HydrophobicContact CD1-CB 3.41Å; F240-F257 VanDerWaalsContact CD1-CB 3.41Å; F240-F257 HydrophobicContact CD1-CD1 4.18Å; F240-F257 AromaticContact CD1-CG 3.85Å; F240-F257 HydrophobicContact CD1-CG 3.85Å; F240-F257 HydrophobicContact CD2-CB 3.63Å; F240-F257 HydrophobicContact CD2-CD2 4.3Å; F240-F257 HydrophobicContact CD2-CG 4.15Å; F240-F257 HydrophobicContact CE1-CB 3.37Å; F240-F257 HydrophobicContact CE1-CG 4.3Å; F240-F257 HydrophobicContact CE2-CB 3.58Å; F240-F257 HydrophobicContact CG-CB 3.55Å; F240-F257 HydrophobicContact CG-CD1 4.39Å; F240-F257 HydrophobicContact CG-CD2 4.14Å; F240-F257 AromaticContact CG-CG 3.77Å; F240-F257 HydrophobicContact CG-CG 3.77Å; F240-F257 HydrophobicContact CZ-CB 3.46Å; F240-F257 VanDerWaalsContact CZ-CB 3.46Å; F257-P259 HydrophobicContact CE1-CB 3.78Å; F257-P259 HydrophobicContact CE1-CG 4.11Å; F257-P259 HydrophobicContact CZ-CB 3.86Å; F257-C277 WeakPolarHBondContact CA-O 3.27Å; F257-C277 VanDerWaalsContact CD2-O 3.26Å; F257-C277 WeakPolarHBondContact CD2-O 3.45Å; F257-A278 HydrophobicContact CB-CB 4.47Å; F257-A278 HydrophobicContact CD2-CB 4.03Å
258	S	98.5	Very high	94.5	Very high	14 Å²	14	60.4 Å²	60.4	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.8	169.2	-78	0	0	0	0	110	G276 C277 I337	S258-G276 VanDerWaalsContact O-CA 3.29Å; S258-G276 WeakPolarHBondContact O-CA 3.1Å; S258-C277 PolarHBondContact N-O 2.66Å; S258-C277 PolarHBondContact O-N 3.4Å; S258-I337 WeakPolarHBondContact O-CD1 3.45Å
259	P	97.5	Very high	94.2	Very high	40 Å²	40	65.8 Å²	65.8	26%	0.26	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	157.7	173.3	32	-33.6	0	0	0	111.1	F257 A263 V274 I337	F257-P259 HydrophobicContact CE1-CB 3.78Å; F257-P259 HydrophobicContact CE1-CG 4.11Å; F257-P259 HydrophobicContact CZ-CB 3.86Å; P259-A263 HydrophobicContact CB-CB 3.76Å; P259-A263 HydrophobicContact CG-CB 3.77Å; P259-V274 HydrophobicContact CB-CG1 4.11Å; P259-I337 WeakPolarHBondContact O-CD1 3.37Å
260	K	96	Very high	94.2	Very high	12 Å²	12	62.7 Å²	62.7	5%	0.052	32%	0.315	C	S	.	.			trans	-53.5	146.9	169.1	-76.6	175.4	177.2	161.5	0	111.3	R262 A263 V274 D275	K260-R262 HydrophobicContact CB-CG 4.34Å; K260-R262 PolarHBondContact O-N 3.09Å; K260-A263 VanDerWaalsContact O-CB 3.31Å; K260-A263 WeakPolarHBondContact O-CB 3.26Å; K260-A263 PolarHBondContact O-N 3.44Å; K260-V274 HydrophobicContact CB-CG1 4.08Å; K260-D275 WeakPolarHBondContact CE-OD2 3.39Å; K260-D275 WeakPolarHBondContact CG-O 3.44Å; K260-D275 PolarHBondContact N-O 2.9Å; K260-D275 IonicContact NZ-OD1 3.14Å; K260-D275 IonicContact NZ-OD2 2.75Å; K260-D275 PolarHBondContact NZ-OD2 2.81Å
261	S	93.3	Very high	94.2	Very high	17 Å²	17	60.2 Å²	60.2	12%	0.119	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-56.6	-25.6	-169.6	57.3	0	0	0	0	114.5	A263 R264 E312 D335	S261-A263 PolarHBondContact O-N 3.35Å; S261-A263 VanDerWaalsContact O-N 3.15Å; S261-R264 PolarHBondContact O-N 3.36Å; S261-E312 VanDerWaalsContact CB-OE1 3.24Å; S261-E312 WeakPolarHBondContact CB-OE1 3.15Å; S261-D335 PolarHBondContact N-O 3.42Å; S261-D335 VanDerWaalsContact OG-CA 3.28Å; S261-D335 WeakPolarHBondContact OG-CA 3.39Å; S261-D335 VanDerWaalsContact OG-CB 3.29Å; S261-D335 WeakPolarHBondContact OG-CB 3.22Å; S261-D335 PolarHBondContact OG-O 2.98Å
262	R	93	Very high	94.4	Very high	68 Å²	68	58.3 Å²	58.3	26%	0.257	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.6	173.2	68.1	177.1	174	-159.9	-3.4	114.3	K260 R264 T265 M266 V274 D275 D335	K260-R262 HydrophobicContact CB-CG 4.34Å; K260-R262 PolarHBondContact O-N 3.09Å; R262-R264 PolarHBondContact O-N 3.1Å; R262-R264 VanDerWaalsContact O-N 3.08Å; R262-T265 PolarHBondContact O-N 2.83Å; R262-T265 VanDerWaalsContact O-N 3.09Å; R262-T265 PolarHBondContact O-OG1 3.17Å; R262-T265 VanDerWaalsContact O-OG1 3.05Å; R262-M266 HydrophobicContact CG-SD 4.39Å; R262-M266 WeakPolarHBondContact O-CG 3.36Å; R262-V274 HydrophobicContact CG-CG1 3.92Å; R262-V274 HydrophobicContact CG-CG2 4.37Å; R262-D275 IonicContact CZ-OD1 3.05Å; R262-D275 IonicContact NH2-OD1 3.9Å; R262-D275 PolarHBondContact NH2-OD1 2.98Å; R262-D335 WeakPolarHBondContact CD-OD2 3.27Å; R262-D335 WeakPolarHBondContact CG-OD2 3.38Å; R262-D335 IonicContact CZ-OD2 3.73Å; R262-D335 IonicContact NE-OD2 2.91Å
263	A	92.8	Very high	94.6	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.041	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-55.9	-26.5	177.7	0	0	0	0	0	113.5	P259 K260 S261 T265 R271 V274	P259-A263 HydrophobicContact CB-CB 3.76Å; P259-A263 HydrophobicContact CG-CB 3.77Å; K260-A263 VanDerWaalsContact O-CB 3.31Å; K260-A263 WeakPolarHBondContact O-CB 3.26Å; K260-A263 PolarHBondContact O-N 3.44Å; S261-A263 PolarHBondContact O-N 3.35Å; S261-A263 VanDerWaalsContact O-N 3.15Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3.47Å; A263-R271 HydrophobicContact CB-CG 4Å; A263-R271 VanDerWaalsContact O-CD 3.24Å; A263-R271 WeakPolarHBondContact O-CD 3.44Å; A263-R271 WeakPolarHBondContact O-CG 3.26Å; A263-V274 HydrophobicContact CB-CB 4.04Å; A263-V274 HydrophobicContact CB-CG1 3.88Å; A263-V274 HydrophobicContact CB-CG2 4.17Å
264	R	90.4	Very high	94.7	Very high	160 Å²	160	60.6 Å²	60.6	60%	0.604	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-73.2	-21.4	-179.5	-66.9	-177.6	178.3	154.9	11	113.9	S261 R262 E312	S261-R264 PolarHBondContact O-N 3.36Å; R262-R264 PolarHBondContact O-N 3.1Å; R262-R264 VanDerWaalsContact O-N 3.08Å; R264-E312 IonicContact CZ-OE1 2.64Å; R264-E312 IonicContact CZ-OE2 3Å; R264-E312 IonicContact NH1-OE1 3.74Å; R264-E312 PolarHBondContact NH1-OE1 2.9Å; R264-E312 VanDerWaalsContact NH1-OE1 3.14Å; R264-E312 IonicContact NH1-OE2 3.67Å; R264-E312 PolarHBondContact NH1-OE2 3.16Å; R264-E312 IonicContact NH2-OE1 3.3Å; R264-E312 IonicContact NH2-OE2 2.7Å; R264-E312 PolarHBondContact NH2-OE2 2.88Å
265	T	91.1	Very high	94.7	Very high	124 Å²	124	57.6 Å²	57.6	76%	0.761	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-104.8	4.4	-178.5	59.9	0	0	0	0	112.7	R262 A263	R262-T265 PolarHBondContact O-N 2.83Å; R262-T265 VanDerWaalsContact O-N 3.09Å; R262-T265 PolarHBondContact O-OG1 3.17Å; R262-T265 VanDerWaalsContact O-OG1 3.05Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3.47Å
266	M	92.3	Very high	94.7	Very high	71 Å²	71	57 Å²	57	35%	0.35	28%	0.275	S	S	.	.	S	Bend	trans	-103.6	147.8	-179.5	-62.2	-179.2	92.3	0	0	110.1	R262 N270 R271 V274	R262-M266 HydrophobicContact CG-SD 4.39Å; R262-M266 WeakPolarHBondContact O-CG 3.36Å; M266-N270 HydrophobicContact CB-CB 4.43Å; M266-N270 HydrophobicContact CE-CB 3.64Å; M266-R271 HydrophobicContact CB-CB 4.34Å; M266-V274 HydrophobicContact SD-CG2 3.43Å; M266-V274 WeakPolarHBondContact SD-CG2 3.35Å
267	D	94.4	Very high	94.7	Very high	90 Å²	90	56.1 Å²	56.1	48%	0.481	27%	0.271	S	S	.	.			trans	-64.6	162.4	168.2	64.7	-54.9	0	0	0	111.1	E269 N270 R271	D267-E269 VanDerWaalsContact C-N 3.29Å; D267-E269 PolarHBondContact O-N 3.21Å; D267-N270 PolarHBondContact O-N 2.94Å; D267-N270 WeakPolarHBondContact OD1-CB 3.43Å; D267-N270 PolarHBondContact OD1-ND2 2.67Å; D267-N270 PolarHBondContact OD2-ND2 2.78Å; D267-R271 WeakPolarHBondContact O-CB 3.47Å; D267-R271 PolarHBondContact O-N 3.35Å
268	E	89.9	Confident	94.7	Very high	143 Å²	143	55 Å²	55	67%	0.668	27%	0.265	S	S	*	.	H	α-helix	trans	-59.6	-37.3	-170.3	-173.5	148.2	-128	0	0	113.9	R271 K272	E268-R271 PolarHBondContact O-N 2.65Å; E268-R271 IonicContact OE1-NH2 2.97Å; E268-R271 PolarHBondContact OE1-NH2 3.25Å; E268-K272 PolarHBondContact O-N 3.2Å
269	E	92.4	Very high	94.7	Very high	113 Å²	113	54.3 Å²	54.3	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-40.4	-178	-175.5	61.6	-171.8	0	0	112.1	D267 K272	D267-E269 VanDerWaalsContact C-N 3.29Å; D267-E269 PolarHBondContact O-N 3.21Å; E269-K272 WeakPolarHBondContact O-CD 3.16Å; E269-K272 VanDerWaalsContact O-CE 3.3Å; E269-K272 WeakPolarHBondContact O-CE 3.25Å; E269-K272 VanDerWaalsContact O-CG 3.24Å; E269-K272 WeakPolarHBondContact O-CG 3.29Å; E269-K272 WeakPolarHBondContact OE1-CE 3.48Å; E269-K272 IonicContact OE1-NZ 3.97Å; E269-K272 PolarHBondContact OE1-NZ 2.91Å; E269-K272 WeakPolarHBondContact OE2-CE 3.48Å; E269-K272 IonicContact OE2-NZ 3.58Å; E269-K272 PolarHBondContact OE2-NZ 3.12Å
270	N	94.1	Very high	94.8	Very high	81 Å²	81	52.4 Å²	52.4	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-80.8	-31.9	175.8	-68.8	-58	0	0	0	112.5	M266 D267 K272 H273	M266-N270 HydrophobicContact CB-CB 4.43Å; M266-N270 HydrophobicContact CE-CB 3.64Å; D267-N270 PolarHBondContact O-N 2.94Å; D267-N270 WeakPolarHBondContact OD1-CB 3.43Å; D267-N270 PolarHBondContact OD1-ND2 2.67Å; D267-N270 PolarHBondContact OD2-ND2 2.78Å; N270-K272 PolarHBondContact O-N 3.22Å; N270-H273 PolarHBondContact O-N 3.38Å; N270-H273 VanDerWaalsContact O-N 3.12Å
271	R	94.8	Very high	94.8	Very high	88 Å²	88	52.1 Å²	52.1	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-32.2	-179.5	-175	175.5	66.5	134.9	-2.6	112.5	A263 M266 D267 E268 H273 V274	A263-R271 HydrophobicContact CB-CG 4Å; A263-R271 VanDerWaalsContact O-CD 3.24Å; A263-R271 WeakPolarHBondContact O-CD 3.44Å; A263-R271 WeakPolarHBondContact O-CG 3.26Å; M266-R271 HydrophobicContact CB-CB 4.34Å; D267-R271 WeakPolarHBondContact O-CB 3.47Å; D267-R271 PolarHBondContact O-N 3.35Å; E268-R271 PolarHBondContact O-N 2.65Å; E268-R271 IonicContact OE1-NH2 2.97Å; E268-R271 PolarHBondContact OE1-NH2 3.25Å; R271-H273 PolarHBondContact O-N 3.03Å; R271-V274 WeakPolarHBondContact O-CB 3.41Å; R271-V274 PolarHBondContact O-N 3.08Å; R271-V274 VanDerWaalsContact O-N 3.13Å
272	K	94.6	Very high	94.7	Very high	46 Å²	46	52.6 Å²	52.6	20%	0.2	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.5	179.5	85.3	-164.1	177.4	176.4	0	113.5	T237 E238 E268 E269 N270	T237-K272 WeakPolarHBondContact CB-O 3.23Å; T237-K272 PolarHBondContact N-O 3.05Å; E238-K272 HydrophobicContact CB-CB 4.05Å; E238-K272 HydrophobicContact CB-CG 4.34Å; E238-K272 WeakPolarHBondContact CB-O 3.21Å; E238-K272 PolarHBondContact N-O 2.99Å; E268-K272 PolarHBondContact O-N 3.2Å; E269-K272 WeakPolarHBondContact O-CD 3.16Å; E269-K272 VanDerWaalsContact O-CE 3.3Å; E269-K272 WeakPolarHBondContact O-CE 3.25Å; E269-K272 VanDerWaalsContact O-CG 3.24Å; E269-K272 WeakPolarHBondContact O-CG 3.29Å; E269-K272 WeakPolarHBondContact OE1-CE 3.48Å; E269-K272 IonicContact OE1-NZ 3.97Å; E269-K272 PolarHBondContact OE1-NZ 2.91Å; E269-K272 WeakPolarHBondContact OE2-CE 3.48Å; E269-K272 IonicContact OE2-NZ 3.58Å; E269-K272 PolarHBondContact OE2-NZ 3.12Å; N270-K272 PolarHBondContact O-N 3.22Å
273	H	95.2	Very high	94.4	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.361	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.7	177	-63.1	-63.8	0	0	0	113.5	E236 N270 R271 D275	E236-H273 IonicContact OE2-ND1 2.78Å; N270-H273 PolarHBondContact O-N 3.38Å; N270-H273 VanDerWaalsContact O-N 3.12Å; R271-H273 PolarHBondContact O-N 3.03Å; H273-D275 PolarHBondContact O-N 3.45Å
274	V	96.6	Very high	93.3	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	26%	0.263	C	S	.	.			trans	-77.1	124	173.8	-179.7	0	0	0	0	108.9	T237 P259 K260 R262 A263 M266 R271	T237-V274 WeakPolarHBondContact CB-O 3.49Å; T237-V274 PolarHBondContact N-O 3.36Å; T237-V274 PolarHBondContact OG1-O 2.97Å; P259-V274 HydrophobicContact CB-CG1 4.11Å; K260-V274 HydrophobicContact CB-CG1 4.08Å; R262-V274 HydrophobicContact CG-CG1 3.92Å; R262-V274 HydrophobicContact CG-CG2 4.37Å; A263-V274 HydrophobicContact CB-CB 4.04Å; A263-V274 HydrophobicContact CB-CG1 3.88Å; A263-V274 HydrophobicContact CB-CG2 4.17Å; M266-V274 HydrophobicContact SD-CG2 3.43Å; M266-V274 WeakPolarHBondContact SD-CG2 3.35Å; R271-V274 WeakPolarHBondContact O-CB 3.41Å; R271-V274 PolarHBondContact O-N 3.08Å; R271-V274 VanDerWaalsContact O-N 3.13Å
275	D	97.4	Very high	91.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	161.1	174.9	67.9	-60.4	0	0	0	112.2	V235 K260 R262 H273	V235-D275 CarbonylContact O-C 3.53Å; V235-D275 VanDerWaalsContact O-CA 3.27Å; V235-D275 WeakPolarHBondContact O-CA 3.21Å; K260-D275 WeakPolarHBondContact CE-OD2 3.39Å; K260-D275 WeakPolarHBondContact CG-O 3.44Å; K260-D275 PolarHBondContact N-O 2.9Å; K260-D275 IonicContact NZ-OD1 3.14Å; K260-D275 IonicContact NZ-OD2 2.75Å; K260-D275 PolarHBondContact NZ-OD2 2.81Å; R262-D275 IonicContact CZ-OD1 3.05Å; R262-D275 IonicContact NH2-OD1 3.9Å; R262-D275 PolarHBondContact NH2-OD1 2.98Å; H273-D275 PolarHBondContact O-N 3.45Å
276	G	97.7	Very high	90.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	-159.3	-179.8	0	0	0	0	0	113.3	E234 V235 S258	E234-G276 PolarHBondContact N-O 2.86Å; V235-G276 PolarHBondContact N-O 3.07Å; V235-G276 VanDerWaalsContact N-O 3.13Å; V235-G276 PolarHBondContact O-N 2.95Å; S258-G276 VanDerWaalsContact O-CA 3.29Å; S258-G276 WeakPolarHBondContact O-CA 3.1Å
277	C	98.6	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	177.9	-67.8	0	0	0	0	109.7	L232 F257 S258 L339 T375	L232-C277 WeakPolarHBondContact O-CA 3.5Å; F257-C277 WeakPolarHBondContact CA-O 3.27Å; F257-C277 VanDerWaalsContact CD2-O 3.26Å; F257-C277 WeakPolarHBondContact CD2-O 3.45Å; S258-C277 PolarHBondContact N-O 2.66Å; S258-C277 PolarHBondContact O-N 3.4Å; C277-L339 HydrophobicContact CB-CB 4.05Å; C277-L339 WeakPolarHBondContact O-CD2 3.38Å; C277-T375 HydrophobicContact CB-CG2 3.86Å
278	A	98.7	Very high	85.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.6	174.1	0	0	0	0	0	110.5	L232 V235 F240 I256 F257 F280	L232-A278 HydrophobicContact CB-CB 4.26Å; L232-A278 PolarHBondContact N-O 3.18Å; L232-A278 PolarHBondContact O-N 2.99Å; V235-A278 HydrophobicContact CB-CB 4.28Å; V235-A278 HydrophobicContact CG2-CB 4.03Å; F240-A278 HydrophobicContact CD2-CB 3.84Å; F240-A278 HydrophobicContact CE2-CB 4.02Å; I256-A278 CarbonylContact O-C 3.52Å; I256-A278 WeakPolarHBondContact O-CA 3.37Å; F257-A278 HydrophobicContact CB-CB 4.47Å; F257-A278 HydrophobicContact CD2-CB 4.03Å; A278-F280 HydrophobicContact CB-CE2 3.96Å
279	M	98.6	Very high	83.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.5	173.9	-170.9	179.3	-56.8	0	0	109.6	I230 G255 I256 W281 V373 T375	I230-M279 CarbonylContact O-C 3.42Å; I230-M279 VanDerWaalsContact O-CA 3.26Å; I230-M279 WeakPolarHBondContact O-CA 3.38Å; G255-M279 CarbonylContact C-O 3.53Å; G255-M279 WeakPolarHBondContact CA-O 3.48Å; I256-M279 HydrophobicContact CD1-CB 4.49Å; I256-M279 HydrophobicContact CG1-CB 3.96Å; I256-M279 PolarHBondContact N-O 3.35Å; I256-M279 PolarHBondContact O-N 3.17Å; M279-W281 HydrophobicContact CG-CE3 4.37Å; M279-W281 HydrophobicContact CG-CZ3 4.48Å; M279-V373 HydrophobicContact CE-CB 3.97Å; M279-V373 HydrophobicContact CE-CG1 3.72Å; M279-V373 WeakPolarHBondContact CE-O 3.27Å; M279-V373 HydrophobicContact SD-CB 3.76Å; M279-V373 HydrophobicContact SD-CG1 3.77Å; M279-T375 HydrophobicContact CE-CG2 4.06Å
280	F	98.4	Very high	81	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.5	173.9	-60.8	-94.6	0	0	0	110.3	V229 I230 L232 F240 F244 V245 L248 Y253 D254 A278	V229-F280 CarbonylContact C-O 3.58Å; V229-F280 WeakPolarHBondContact CA-O 3.28Å; I230-F280 HydrophobicContact CB-CB 4.16Å; I230-F280 HydrophobicContact CD1-CB 4.33Å; I230-F280 PolarHBondContact N-O 2.62Å; I230-F280 PolarHBondContact O-N 3.26Å; L232-F280 HydrophobicContact CD1-CD2 4.24Å; L232-F280 HydrophobicContact CD1-CE2 3.93Å; F240-F280 HydrophobicContact CD2-CE1 4.45Å; F240-F280 HydrophobicContact CD2-CE2 4.16Å; F240-F280 AromaticContact CD2-CZ 3.58Å; F240-F280 HydrophobicContact CD2-CZ 3.58Å; F240-F280 AromaticContact CE2-CE1 3.81Å; F240-F280 HydrophobicContact CE2-CE1 3.81Å; F240-F280 AromaticContact CE2-CE2 3.94Å; F240-F280 HydrophobicContact CE2-CE2 3.94Å; F240-F280 AromaticContact CE2-CZ 3.29Å; F240-F280 HydrophobicContact CE2-CZ 3.29Å; F240-F280 HydrophobicContact CZ-CZ 4.39Å; F244-F280 HydrophobicContact CB-CE2 4.36Å; F244-F280 HydrophobicContact CB-CZ 3.77Å; V245-F280 HydrophobicContact CG2-CE1 3.74Å; V245-F280 HydrophobicContact CG2-CZ 4.11Å; L248-F280 HydrophobicContact CB-CD1 4.36Å; L248-F280 HydrophobicContact CB-CE1 4.49Å; L248-F280 HydrophobicContact CD1-CB 4.41Å; L248-F280 HydrophobicContact CD1-CD1 3.64Å; L248-F280 HydrophobicContact CD1-CD2 3.81Å; L248-F280 HydrophobicContact CD1-CE1 3.7Å; L248-F280 HydrophobicContact CD1-CE2 3.88Å; L248-F280 HydrophobicContact CD1-CG 3.69Å; L248-F280 HydrophobicContact CD1-CZ 3.82Å; Y253-F280 HydrophobicContact CD1-CB 4.23Å; D254-F280 CarbonylContact O-C 3.5Å; D254-F280 WeakPolarHBondContact O-CA 3.48Å; D254-F280 WeakPolarHBondContact O-CB 3.14Å; A278-F280 HydrophobicContact CB-CE2 3.96Å
281	W	96.1	Very high	78.4	Confident	6 Å²	6	48.2 Å²	48.2	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.4	172.6	55.7	89.9	0	0	0	110	D228 V229 Y253 D254 I256 M279 T283 F303 L305 L343	D228-W281 CarbonylContact O-C 3.53Å; D228-W281 VanDerWaalsContact O-CA 3.24Å; D228-W281 WeakPolarHBondContact O-CA 3.4Å; V229-W281 HydrophobicContact CG2-CB 4.47Å; Y253-W281 WeakPolarHBondContact CA-O 3.46Å; D254-W281 HydrophobicContact CB-CZ2 4.08Å; D254-W281 PolarHBondContact N-O 3.1Å; D254-W281 PolarHBondContact O-N 2.98Å; I256-W281 HydrophobicContact CD1-CZ3 4.46Å; I256-W281 HydrophobicContact CG1-CH2 4.28Å; I256-W281 HydrophobicContact CG1-CZ3 3.97Å; I256-W281 HydrophobicContact CG2-CH2 3.88Å; I256-W281 HydrophobicContact CG2-CZ3 4.44Å; M279-W281 HydrophobicContact CG-CE3 4.37Å; M279-W281 HydrophobicContact CG-CZ3 4.48Å; W281-T283 PolarHBondContact O-N 3.28Å; W281-F303 HydrophobicContact CB-CB 4.12Å; W281-F303 VanDerWaalsContact CD1-O 3.31Å; W281-F303 HydrophobicContact CG-CB 4.14Å; W281-L305 HydrophobicContact CH2-CB 3.84Å; W281-L305 HydrophobicContact CH2-CD1 4.04Å; W281-L305 HydrophobicContact CH2-CD2 3.85Å; W281-L305 HydrophobicContact CH2-CG 4.13Å; W281-L305 HydrophobicContact CZ2-CB 3.54Å; W281-L305 HydrophobicContact CZ2-CD2 4.27Å; W281-L305 HydrophobicContact CZ2-CG 4.34Å; W281-L305 HydrophobicContact CZ3-CD1 4.29Å; W281-L343 HydrophobicContact CB-CD1 3.95Å; W281-L343 HydrophobicContact CB-CD2 4.48Å; W281-L343 HydrophobicContact CD2-CD2 3.59Å; W281-L343 HydrophobicContact CE3-CD2 3.66Å; W281-L343 HydrophobicContact CG-CD1 4.28Å; W281-L343 HydrophobicContact CG-CD2 3.93Å; W281-L343 HydrophobicContact CZ3-CD2 4.19Å
282	K	91.4	Very high	75.6	Confident	27 Å²	27	50.4 Å²	50.4	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.3	169.3	-70.4	-169.7	-164	143.2	0	109.9	K226 P227 D228 Y253	K226-K282 WeakPolarHBondContact O-CE 3.46Å; K226-K282 PolarHBondContact O-NZ 3.42Å; P227-K282 VanDerWaalsContact O-CE 3.25Å; P227-K282 WeakPolarHBondContact O-CE 3.31Å; D228-K282 PolarHBondContact O-N 2.85Å; D228-K282 IonicContact OD1-NZ 3.98Å; D228-K282 PolarHBondContact OD1-NZ 3.36Å; Y253-K282 HydrophobicContact CD1-CG 3.9Å; Y253-K282 HydrophobicContact CD2-CG 4.43Å; Y253-K282 HydrophobicContact CE1-CD 4.5Å; Y253-K282 HydrophobicContact CE1-CG 3.46Å; Y253-K282 VanDerWaalsContact CE1-CG 3.46Å; Y253-K282 HydrophobicContact CE2-CG 4.06Å; Y253-K282 HydrophobicContact CG-CG 4.36Å; Y253-K282 WeakPolarHBondContact OH-CE 3.1Å
283	T	85.9	Confident	73	Confident	53 Å²	53	54 Å²	54	33%	0.325	27%	0.268	S	S	.	.	S	Bend	trans	-80.3	-23.8	175.2	57.4	0	0	0	0	112.5	G252 D254 W281 R302	G252-T283 PolarHBondContact O-N 2.93Å; G252-T283 PolarHBondContact O-OG1 3.11Å; D254-T283 HydrophobicContact CB-CG2 3.46Å; D254-T283 VanDerWaalsContact CB-CG2 3.46Å; W281-T283 PolarHBondContact O-N 3.28Å; T283-R302 VanDerWaalsContact O-CB 3.23Å; T283-R302 WeakPolarHBondContact O-CB 3.16Å; T283-R302 WeakPolarHBondContact O-CD 3.3Å; T283-R302 WeakPolarHBondContact O-CG 3.36Å
284	D	70.7	Confident	70.3	Confident	57 Å²	57	58.6 Å²	58.6	31%	0.305	29%	0.294	S	S	.	.			trans	-143.7	109.3	177.1	-167.4	12	0	0	0	110.8	S286 R302	D284-S286 PolarHBondContact OD1-N 2.86Å; D284-S286 PolarHBondContact OD1-OG 3.1Å; D284-S286 PolarHBondContact OD2-OG 2.97Å; D284-R302 VanDerWaalsContact CG-NE 3.26Å; D284-R302 IonicContact OD1-CZ 3.56Å; D284-R302 IonicContact OD1-NE 3.24Å; D284-R302 PolarHBondContact OD1-NE 2.81Å; D284-R302 IonicContact OD1-NH2 3.81Å; D284-R302 PolarHBondContact OD1-NH2 2.76Å; D284-R302 IonicContact OD2-CZ 2.73Å; D284-R302 IonicContact OD2-NE 3.89Å; D284-R302 IonicContact OD2-NH2 3.77Å; D284-R302 PolarHBondContact OD2-NH2 2.92Å
285	R	61.7	Low	67.5	Low	71 Å²	71	63.5 Å²	63.5	27%	0.268	32%	0.319	S	S	.	.			trans	-100.4	77.9	163.4	-166.5	-178.1	-173.7	-169	1.4	107.9	T182 D228 V287 G300 Y301	T182-R285 PolarHBondContact O-NH1 3.23Å; D228-R285 IonicContact OD1-NE 3.31Å; D228-R285 IonicContact OD2-NH1 2.77Å; R285-V287 PolarHBondContact O-N 3.15Å; R285-G300 WeakPolarHBondContact O-CA 3.37Å; R285-Y301 HydrophobicContact CB-CE2 4.44Å; R285-Y301 PolarHBondContact N-O 2.97Å; R285-Y301 PolarHBondContact NH1-OH 2.89Å
286	S	52.6	Low	64.6	Low	44 Å²	44	68.9 Å²	68.9	31%	0.308	35%	0.347	S	S	.	.			trans	-81.3	112.2	166.4	-72.1	0	0	0	0	108.2	D284 E288	D284-S286 PolarHBondContact OD1-N 2.86Å; D284-S286 PolarHBondContact OD1-OG 3.1Å; D284-S286 PolarHBondContact OD2-OG 2.97Å; S286-E288 PolarHBondContact O-N 3.41Å
287	V	50	Low	61.8	Low	39 Å²	39	70.2 Å²	70.2	24%	0.236	36%	0.358	C	S	.	.			trans	-72.1	106.2	160.4	-175.9	0	0	0	0	105.6	R285 L289 V299	R285-V287 PolarHBondContact O-N 3.15Å; V287-L289 PolarHBondContact O-N 2.86Å; V287-V299 PolarHBondContact N-O 2.69Å
288	E	45.6	Very low	59	Low	150 Å²	150	74.9 Å²	74.9	70%	0.701	38%	0.379	S	S	*	.			trans	-61.8	102.1	171.9	-78.6	-168.4	160.8	0	0	109.1	S286 F290	S286-E288 PolarHBondContact O-N 3.41Å; E288-F290 HydrophobicContact CB-CD2 4.42Å; E288-F290 PolarHBondContact O-N 2.85Å; E288-F290 WeakPolarHBondContact OE2-CE2 3.24Å
289	L	43.8	Very low	56.6	Low	52 Å²	52	75.9 Å²	75.9	27%	0.272	39%	0.385	S	S	.	.			trans	-80.8	103.4	163.5	-81.7	150	0	0	0	107	K140 Y142 V287 Y291 A297 V299	K140-L289 HydrophobicContact CB-CD2 4.45Å; Y142-L289 HydrophobicContact CD1-CD2 4.12Å; Y142-L289 HydrophobicContact CE1-CD2 4.04Å; V287-L289 PolarHBondContact O-N 2.86Å; L289-Y291 PolarHBondContact O-N 2.78Å; L289-Y291 VanDerWaalsContact O-N 3.09Å; L289-A297 VanDerWaalsContact CD1-O 3.23Å; L289-A297 WeakPolarHBondContact CD1-O 3.36Å; L289-V299 HydrophobicContact CD1-CG2 4.34Å
290	F	39.2	Very low	54.6	Low	123 Å²	123	76.5 Å²	76.5	54%	0.539	39%	0.391	S	S	.	.			trans	-62.6	111.1	176.4	-102.9	-114.6	0	0	0	111	E288	E288-F290 HydrophobicContact CB-CD2 4.42Å; E288-F290 PolarHBondContact O-N 2.85Å; E288-F290 WeakPolarHBondContact OE2-CE2 3.24Å
291	Y	38.8	Very low	53	Low	174 Å²	174	76.8 Å²	76.8	68%	0.682	39%	0.392	S	S	*	.			trans	70	140.4	142.4	-64.7	-97.5	0	0	0	123.9	L289	L289-Y291 PolarHBondContact O-N 2.78Å; L289-Y291 VanDerWaalsContact O-N 3.09Å
292	L	35.5	Very low	51.9	Low	133 Å²	133	81 Å²	81	70%	0.696	41%	0.408	S	S	*	.			trans	91.8	102.2	156.1	-133.4	77.2	0	0	0	118.8
293	T	41.1	Very low	51.7	Low	123 Å²	123	79.9 Å²	79.9	76%	0.755	40%	0.403	S	S	*	.	S	Bend	trans	83.2	93.7	157	-23.8	0	0	0	0	117.5	L295	T293-L295 PolarHBondContact O-N 2.86Å; T293-L295 VanDerWaalsContact O-N 3.07Å
294	L	38.9	Very low	51.9	Low	173 Å²	173	82.7 Å²	82.7	91%	0.906	41%	0.411	S	S	*	.	S	Bend	trans	61.4	10.6	148.8	-140.3	79.6	0	0	0	121.2
295	L	37.4	Very low	53.1	Low	106 Å²	106	82.1 Å²	82.1	56%	0.555	41%	0.407	S	S	*	.			trans	-136.4	86	164.6	-143.1	103.3	0	0	0	109.2	T293 A297 T352	T293-L295 PolarHBondContact O-N 2.86Å; T293-L295 VanDerWaalsContact O-N 3.07Å; L295-A297 PolarHBondContact O-N 2.91Å; L295-T352 HydrophobicContact CD1-CG2 4.17Å; L295-T352 WeakPolarHBondContact CD1-OG1 3.31Å; L295-T352 WeakPolarHBondContact CD2-OG1 3.28Å
296	I	36.4	Very low	54.6	Low	113 Å²	113	83.9 Å²	83.9	58%	0.579	42%	0.417	S	S	*	.			trans	-76.5	87.9	166.2	-42	170.9	0	0	0	106.2	F298	I296-F298 HydrophobicContact CB-CD2 3.87Å; I296-F298 HydrophobicContact CB-CE2 3.9Å; I296-F298 HydrophobicContact CD1-CE2 3.85Å; I296-F298 HydrophobicContact CD1-CZ 4.43Å; I296-F298 HydrophobicContact CG1-CE2 4.46Å; I296-F298 HydrophobicContact CG2-CB 4.47Å; I296-F298 HydrophobicContact CG2-CD1 4.14Å; I296-F298 HydrophobicContact CG2-CD2 3.17Å; I296-F298 HydrophobicContact CG2-CE1 4.16Å; I296-F298 HydrophobicContact CG2-CE2 3.22Å; I296-F298 HydrophobicContact CG2-CG 3.67Å; I296-F298 HydrophobicContact CG2-CZ 3.72Å; I296-F298 PolarHBondContact O-N 2.92Å
297	A	39.4	Very low	56.7	Low	30 Å²	30	85.5 Å²	85.5	25%	0.248	42%	0.422	C	S	.	.			trans	-69.3	84.5	154.4	0	0	0	0	0	105.6	L289 L295 V299	L289-A297 VanDerWaalsContact CD1-O 3.23Å; L289-A297 WeakPolarHBondContact CD1-O 3.36Å; L295-A297 PolarHBondContact O-N 2.91Å; A297-V299 PolarHBondContact O-N 2.95Å; A297-V299 VanDerWaalsContact O-N 3.07Å
298	F	38.8	Very low	59	Low	98 Å²	98	88.4 Å²	88.4	43%	0.43	43%	0.433	S	S	.	.			trans	-63.2	111.2	163.1	-84.9	-76.5	0	0	0	105.5	I296 G300	I296-F298 HydrophobicContact CB-CD2 3.87Å; I296-F298 HydrophobicContact CB-CE2 3.9Å; I296-F298 HydrophobicContact CD1-CE2 3.85Å; I296-F298 HydrophobicContact CD1-CZ 4.43Å; I296-F298 HydrophobicContact CG1-CE2 4.46Å; I296-F298 HydrophobicContact CG2-CB 4.47Å; I296-F298 HydrophobicContact CG2-CD1 4.14Å; I296-F298 HydrophobicContact CG2-CD2 3.17Å; I296-F298 HydrophobicContact CG2-CE1 4.16Å; I296-F298 HydrophobicContact CG2-CE2 3.22Å; I296-F298 HydrophobicContact CG2-CG 3.67Å; I296-F298 HydrophobicContact CG2-CZ 3.72Å; I296-F298 PolarHBondContact O-N 2.92Å; F298-G300 PolarHBondContact O-N 3.36Å
299	V	48.7	Very low	61.5	Low	21 Å²	21	83.4 Å²	83.4	13%	0.127	41%	0.41	C	S	.	.			trans	-96.6	93	169.7	-175.4	0	0	0	0	105.1	M176 C180 V287 L289 A297	M176-V299 HydrophobicContact CG-CG1 4.26Å; M176-V299 HydrophobicContact CG-CG2 4.28Å; M176-V299 HydrophobicContact SD-CG2 3.92Å; C180-V299 WeakPolarHBondContact SG-CG1 3.37Å; V287-V299 PolarHBondContact N-O 2.69Å; L289-V299 HydrophobicContact CD1-CG2 4.34Å; A297-V299 PolarHBondContact O-N 2.95Å; A297-V299 VanDerWaalsContact O-N 3.07Å
300	G	56.1	Low	64.1	Low	13 Å²	13	84 Å²	84	13%	0.134	41%	0.413	C	S	.	.			trans	-153.3	136.6	-179	0	0	0	0	0	110.2	R285 F298 N348	R285-G300 WeakPolarHBondContact O-CA 3.37Å; F298-G300 PolarHBondContact O-N 3.36Å; G300-N348 PolarHBondContact O-N 3.48Å; G300-N348 VanDerWaalsContact O-N 3.16Å
301	Y	65.4	Low	66.8	Low	7 Å²	7	78.5 Å²	78.5	3%	0.027	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	159.7	162.6	61.2	-99	0	0	0	109.3	C180 T182 F183 D228 R285 F303 L345 Q346	C180-Y301 VanDerWaalsContact O-CD1 3.27Å; C180-Y301 WeakPolarHBondContact O-CD1 3.2Å; T182-Y301 VanDerWaalsContact O-CE1 3.27Å; T182-Y301 WeakPolarHBondContact O-CE1 3.33Å; T182-Y301 PolarHBondContact O-OH 3.25Å; F183-Y301 WeakPolarHBondContact CA-OH 3.33Å; F183-Y301 HydrophobicContact CB-CE2 4.39Å; F183-Y301 WeakPolarHBondContact CB-OH 3.23Å; D228-Y301 VanDerWaalsContact CG-OH 3.23Å; D228-Y301 PolarHBondContact OD2-OH 2.86Å; R285-Y301 HydrophobicContact CB-CE2 4.44Å; R285-Y301 PolarHBondContact N-O 2.97Å; R285-Y301 PolarHBondContact NH1-OH 2.89Å; Y301-F303 HydrophobicContact CD2-CD2 4.27Å; Y301-F303 HydrophobicContact CD2-CE2 4.09Å; Y301-F303 AromaticContact CE2-CD2 3.96Å; Y301-F303 HydrophobicContact CE2-CD2 3.96Å; Y301-F303 AromaticContact CE2-CE2 3.54Å; Y301-F303 HydrophobicContact CE2-CE2 3.54Å; Y301-F303 HydrophobicContact CE2-CZ 4.2Å; Y301-L345 HydrophobicContact CD1-CD1 4.44Å; Y301-L345 HydrophobicContact CD2-CD1 3.54Å; Y301-L345 HydrophobicContact CE2-CD1 4.38Å; Y301-L345 HydrophobicContact CG-CD1 3.58Å; Y301-Q346 CarbonylContact C-O 3.41Å; Y301-Q346 WeakPolarHBondContact CA-O 3.49Å
302	R	72.6	Confident	69.5	Low	95 Å²	95	71 Å²	71	36%	0.358	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.2	174.2	-62.8	-164.6	164.8	176.4	-4.3	107.9	T283 D284 Q346	T283-R302 VanDerWaalsContact O-CB 3.23Å; T283-R302 WeakPolarHBondContact O-CB 3.16Å; T283-R302 WeakPolarHBondContact O-CD 3.3Å; T283-R302 WeakPolarHBondContact O-CG 3.36Å; D284-R302 VanDerWaalsContact CG-NE 3.26Å; D284-R302 IonicContact OD1-CZ 3.56Å; D284-R302 IonicContact OD1-NE 3.24Å; D284-R302 PolarHBondContact OD1-NE 2.81Å; D284-R302 IonicContact OD1-NH2 3.81Å; D284-R302 PolarHBondContact OD1-NH2 2.76Å; D284-R302 IonicContact OD2-CZ 2.73Å; D284-R302 IonicContact OD2-NE 3.89Å; D284-R302 IonicContact OD2-NH2 3.77Å; D284-R302 PolarHBondContact OD2-NH2 2.92Å; R302-Q346 PolarHBondContact N-O 2.9Å; R302-Q346 PolarHBondContact O-N 3Å
303	F	87.6	Confident	72.4	Confident	3 Å²	3	64.6 Å²	64.6	1%	0.013	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.9	162	-72.8	-63.6	0	0	0	108.4	F183 D228 V229 W281 Y301 L343 Q344 L345 L371 F549	F183-F303 HydrophobicContact CB-CE2 4.11Å; F183-F303 HydrophobicContact CB-CZ 4.21Å; F183-F303 HydrophobicContact CD1-CZ 4.41Å; F183-F303 HydrophobicContact CD2-CE2 4.17Å; F183-F303 AromaticContact CD2-CZ 3.95Å; F183-F303 HydrophobicContact CD2-CZ 3.95Å; F183-F303 HydrophobicContact CE2-CZ 4.4Å; F183-F303 HydrophobicContact CG-CE2 4.24Å; F183-F303 AromaticContact CG-CZ 3.94Å; F183-F303 HydrophobicContact CG-CZ 3.94Å; D228-F303 HydrophobicContact CB-CE2 4.25Å; V229-F303 HydrophobicContact CG2-CD2 4.2Å; V229-F303 HydrophobicContact CG2-CE2 4.05Å; W281-F303 HydrophobicContact CB-CB 4.12Å; W281-F303 VanDerWaalsContact CD1-O 3.31Å; W281-F303 HydrophobicContact CG-CB 4.14Å; Y301-F303 HydrophobicContact CD2-CD2 4.27Å; Y301-F303 HydrophobicContact CD2-CE2 4.09Å; Y301-F303 AromaticContact CE2-CD2 3.96Å; Y301-F303 HydrophobicContact CE2-CD2 3.96Å; Y301-F303 AromaticContact CE2-CE2 3.54Å; Y301-F303 HydrophobicContact CE2-CE2 3.54Å; Y301-F303 HydrophobicContact CE2-CZ 4.2Å; F303-L343 HydrophobicContact CB-CB 4.4Å; F303-L343 HydrophobicContact CB-CD1 4.3Å; F303-L343 HydrophobicContact CD1-CB 3.88Å; F303-L343 HydrophobicContact CD1-CD1 4.3Å; F303-L343 HydrophobicContact CG-CB 4.42Å; F303-L343 HydrophobicContact CG-CD1 4.23Å; F303-Q344 WeakPolarHBondContact CA-O 3.28Å; F303-L345 HydrophobicContact CD1-CB 4.47Å; F303-L345 HydrophobicContact CD1-CD1 4.27Å; F303-L345 HydrophobicContact CE1-CB 4.12Å; F303-L345 HydrophobicContact CE1-CD1 3.75Å; F303-L345 HydrophobicContact CZ-CD1 3.98Å; F303-L371 HydrophobicContact CE1-CD2 3.85Å; F303-L371 HydrophobicContact CZ-CD2 4.05Å; F303-F549 HydrophobicContact CE1-CZ 4.46Å
304	K	90.3	Very high	74.8	Confident	111 Å²	111	64.6 Å²	64.6	48%	0.483	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.9	171.1	-178	174.5	179.9	172.6	0	108.8	K306 Q344	K304-K306 PolarHBondContact O-N 3.4Å; K304-Q344 PolarHBondContact N-O 2.87Å; K304-Q344 PolarHBondContact O-N 2.81Å
305	L	95.2	Very high	77.4	Confident	45 Å²	45	61.1 Å²	61.1	24%	0.236	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.6	170.6	-171.2	73.6	0	0	0	110	I256 W281 D307 L343	I256-L305 HydrophobicContact CD1-CD1 4.34Å; I256-L305 HydrophobicContact CG2-CD2 3.73Å; W281-L305 HydrophobicContact CH2-CB 3.84Å; W281-L305 HydrophobicContact CH2-CD1 4.04Å; W281-L305 HydrophobicContact CH2-CD2 3.85Å; W281-L305 HydrophobicContact CH2-CG 4.13Å; W281-L305 HydrophobicContact CZ2-CB 3.54Å; W281-L305 HydrophobicContact CZ2-CD2 4.27Å; W281-L305 HydrophobicContact CZ2-CG 4.34Å; W281-L305 HydrophobicContact CZ3-CD1 4.29Å; L305-D307 VanDerWaalsContact CD1-O 3.24Å; L305-D307 WeakPolarHBondContact CD1-O 3.27Å; L305-L343 HydrophobicContact CB-CD2 4.37Å; L305-L343 HydrophobicContact CD1-CD2 3.9Å
306	K	94.5	Very high	80	Confident	109 Å²	109	57.2 Å²	57.2	47%	0.474	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-41	174.1	-78.1	-57.9	-158.9	167.2	0	112.6	K304 V342 Q344	K304-K306 PolarHBondContact O-N 3.4Å; K306-V342 HydrophobicContact CB-CG1 4.47Å; K306-V342 PolarHBondContact N-O 2.91Å; K306-Q344 HydrophobicContact CG-CB 3.66Å
307	D	96.3	Very high	82.7	Confident	78 Å²	78	51.9 Å²	51.9	42%	0.417	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.6	178.8	-145.5	-16.7	0	0	0	110.8	L305 H309 V342	L305-D307 VanDerWaalsContact CD1-O 3.24Å; L305-D307 WeakPolarHBondContact CD1-O 3.27Å; D307-H309 IonicContact OD2-CE1 3.75Å; D307-H309 IonicContact OD2-NE2 2.8Å; D307-V342 HydrophobicContact CB-CB 4.2Å; D307-V342 HydrophobicContact CB-CG2 4.16Å; D307-V342 PolarHBondContact O-N 3.18Å
308	E	97.5	Very high	85.1	Confident	99 Å²	99	55.2 Å²	55.2	46%	0.463	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.7	172.6	64.5	175.2	-158.8	0	0	110.7	I256 V340	I256-E308 VanDerWaalsContact CB-OE2 3.31Å; I256-E308 WeakPolarHBondContact CB-OE2 3.35Å; I256-E308 HydrophobicContact CD1-CB 3.85Å; I256-E308 WeakPolarHBondContact CG2-OE2 3.26Å; E308-V340 CarbonylContact C-O 3.41Å; E308-V340 VanDerWaalsContact CA-O 3.27Å; E308-V340 WeakPolarHBondContact CA-O 3.4Å
309	H	98.1	Very high	87.4	Confident	45 Å²	45	53.9 Å²	53.9	21%	0.208	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.9	178	-55.8	-95.6	0	0	0	110.3	D307 V340 L402	D307-H309 IonicContact OD2-CE1 3.75Å; D307-H309 IonicContact OD2-NE2 2.8Å; H309-V340 HydrophobicContact CB-CB 4.16Å; H309-V340 PolarHBondContact N-O 2.91Å; H309-V340 PolarHBondContact O-N 2.87Å; H309-L402 HydrophobicContact CB-CD1 3.9Å; H309-L402 HydrophobicContact CB-CD2 4.42Å; H309-L402 WeakPolarHBondContact ND1-CD2 3.47Å
310	L	97.9	Very high	89.2	Confident	64 Å²	64	53.9 Å²	53.9	34%	0.335	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.7	173.7	175.1	61.9	0	0	0	109.3	E312 I337	L310-E312 HydrophobicContact CD1-CG 4.44Å; L310-E312 HydrophobicContact CD2-CG 3.94Å; L310-E312 HydrophobicContact CG-CG 3.89Å; L310-I337 HydrophobicContact CD1-CB 4.03Å; L310-I337 HydrophobicContact CD1-CD1 3.99Å; L310-I337 HydrophobicContact CD1-CG2 4.21Å
311	I	97.4	Very high	90.6	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.8	173.5	-67.3	170.2	0	0	0	108.6	F313 L316 I337 A338 V340 L395 E398	I311-F313 HydrophobicContact CG2-CD1 4.12Å; I311-F313 HydrophobicContact CG2-CE1 3.82Å; I311-F313 HydrophobicContact CG2-CZ 4.38Å; I311-L316 HydrophobicContact CG2-CD1 3.71Å; I311-I337 CarbonylContact O-C 3.56Å; I311-I337 VanDerWaalsContact O-CA 3.26Å; I311-I337 WeakPolarHBondContact O-CA 3.17Å; I311-A338 HydrophobicContact CB-CB 4.14Å; I311-A338 PolarHBondContact N-O 2.79Å; I311-A338 PolarHBondContact O-N 3.04Å; I311-V340 HydrophobicContact CD1-CG2 3.74Å; I311-V340 HydrophobicContact CG1-CG2 4.37Å; I311-L395 HydrophobicContact CD1-CD1 3.67Å; I311-L395 HydrophobicContact CG2-CD1 4.45Å; I311-E398 HydrophobicContact CD1-CB 3.81Å; I311-E398 HydrophobicContact CG1-CB 4.19Å
312	E	95.7	Very high	91.2	Very high	16 Å²	16	59.3 Å²	59.3	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	102.5	174.6	-64.5	-175.5	80.3	0	0	109.7	S261 R264 L310 R314 Q315 L316 I337	S261-E312 VanDerWaalsContact CB-OE1 3.24Å; S261-E312 WeakPolarHBondContact CB-OE1 3.15Å; R264-E312 IonicContact CZ-OE1 2.64Å; R264-E312 IonicContact CZ-OE2 3Å; R264-E312 IonicContact NH1-OE1 3.74Å; R264-E312 PolarHBondContact NH1-OE1 2.9Å; R264-E312 VanDerWaalsContact NH1-OE1 3.14Å; R264-E312 IonicContact NH1-OE2 3.67Å; R264-E312 PolarHBondContact NH1-OE2 3.16Å; R264-E312 IonicContact NH2-OE1 3.3Å; R264-E312 IonicContact NH2-OE2 2.7Å; R264-E312 PolarHBondContact NH2-OE2 2.88Å; L310-E312 HydrophobicContact CD1-CG 4.44Å; L310-E312 HydrophobicContact CD2-CG 3.94Å; L310-E312 HydrophobicContact CG-CG 3.89Å; E312-R314 PolarHBondContact O-N 3.09Å; E312-Q315 HydrophobicContact CB-CB 4.24Å; E312-Q315 HydrophobicContact CB-CG 4.03Å; E312-Q315 PolarHBondContact O-N 2.9Å; E312-Q315 PolarHBondContact OE2-NE2 3.41Å; E312-L316 PolarHBondContact O-N 3.01Å; E312-L316 VanDerWaalsContact O-N 3.16Å; E312-I337 HydrophobicContact CG-CG2 4.16Å
313	F	95.2	Very high	91.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.7	-30.7	-177.8	-60.1	-58.7	0	0	0	113.1	I311 L316 A317 N336 A338 I378 Q391 M394 L395	I311-F313 HydrophobicContact CG2-CD1 4.12Å; I311-F313 HydrophobicContact CG2-CE1 3.82Å; I311-F313 HydrophobicContact CG2-CZ 4.38Å; F313-L316 PolarHBondContact O-N 3.31Å; F313-A317 WeakPolarHBondContact O-CB 3.46Å; F313-A317 PolarHBondContact O-N 2.91Å; F313-N336 HydrophobicContact CD2-CB 3.76Å; F313-N336 VanDerWaalsContact CD2-O 3.29Å; F313-N336 WeakPolarHBondContact CD2-O 3.23Å; F313-N336 HydrophobicContact CE2-CB 4.19Å; F313-A338 HydrophobicContact CZ-CB 4.06Å; F313-I378 HydrophobicContact CE2-CD1 3.89Å; F313-I378 HydrophobicContact CZ-CD1 3.73Å; F313-Q391 HydrophobicContact CB-CG 4.04Å; F313-Q391 HydrophobicContact CD1-CB 4.12Å; F313-Q391 HydrophobicContact CD1-CG 4.27Å; F313-Q391 HydrophobicContact CD2-CB 4.36Å; F313-Q391 HydrophobicContact CD2-CG 4.11Å; F313-Q391 HydrophobicContact CE1-CB 4.3Å; F313-Q391 VanDerWaalsContact CE1-O 3.24Å; F313-Q391 WeakPolarHBondContact CE1-O 3.47Å; F313-Q391 HydrophobicContact CG-CB 4.16Å; F313-Q391 HydrophobicContact CG-CG 3.87Å; F313-M394 HydrophobicContact CD1-CB 4.09Å; F313-M394 HydrophobicContact CE1-CB 4.5Å; F313-L395 HydrophobicContact CE1-CB 3.84Å; F313-L395 HydrophobicContact CE1-CD1 4.4Å; F313-L395 HydrophobicContact CZ-CB 4.22Å; F313-L395 HydrophobicContact CZ-CD1 4.33Å
314	R	92.6	Very high	91.6	Very high	123 Å²	123	58.2 Å²	58.2	46%	0.464	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-43.4	173.6	-179.7	168.8	-171.9	-161.7	1.6	112.8	E312 A317 I318 M332	E312-R314 PolarHBondContact O-N 3.09Å; R314-A317 PolarHBondContact O-N 3.45Å; R314-I318 HydrophobicContact CG-CD1 4.38Å; R314-I318 WeakPolarHBondContact O-CG1 3.46Å; R314-I318 PolarHBondContact O-N 2.95Å; R314-I318 VanDerWaalsContact O-N 3.1Å; R314-M332 WeakPolarHBondContact CD-O 3.34Å; R314-M332 HydrophobicContact CG-CG 4.08Å; R314-M332 VanDerWaalsContact CG-O 3.28Å; R314-M332 WeakPolarHBondContact CG-O 3.44Å; R314-M332 PolarHBondContact NE-O 2.8Å
315	Q	92.4	Very high	91.6	Very high	99 Å²	99	58 Å²	58	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-40.9	-179.9	-67.6	-179	12.9	0	0	111	E312 A317 I318 A319	E312-Q315 HydrophobicContact CB-CB 4.24Å; E312-Q315 HydrophobicContact CB-CG 4.03Å; E312-Q315 PolarHBondContact O-N 2.9Å; E312-Q315 PolarHBondContact OE2-NE2 3.41Å; Q315-A317 VanDerWaalsContact C-N 3.3Å; Q315-A317 PolarHBondContact O-N 3.17Å; Q315-I318 WeakPolarHBondContact O-CB 3.4Å; Q315-I318 PolarHBondContact O-N 3.44Å; Q315-A319 PolarHBondContact O-N 3.43Å
316	L	92.2	Very high	91.3	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-38	173.7	-62.4	178.7	0	0	0	112	I311 E312 F313 A319 N320 M394 E398	I311-L316 HydrophobicContact CG2-CD1 3.71Å; E312-L316 PolarHBondContact O-N 3.01Å; E312-L316 VanDerWaalsContact O-N 3.16Å; F313-L316 PolarHBondContact O-N 3.31Å; L316-A319 PolarHBondContact O-N 3.02Å; L316-N320 WeakPolarHBondContact O-CB 3.17Å; L316-N320 PolarHBondContact O-N 2.85Å; L316-N320 PolarHBondContact O-ND2 3.39Å; L316-M394 HydrophobicContact CB-CB 4.42Å; L316-M394 HydrophobicContact CB-CG 4.25Å; L316-M394 HydrophobicContact CB-SD 3.71Å; L316-M394 HydrophobicContact CD1-CB 3.82Å; L316-E398 HydrophobicContact CD1-CG 3.48Å; L316-E398 VanDerWaalsContact CD1-CG 3.48Å; L316-E398 HydrophobicContact CD2-CG 3.76Å; L316-E398 HydrophobicContact CG-CG 4.27Å
317	A	92.4	Very high	91.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-40.5	174	0	0	0	0	0	112	F313 R314 Q315 N320 A321 M327 V331 M332 M394	F313-A317 WeakPolarHBondContact O-CB 3.46Å; F313-A317 PolarHBondContact O-N 2.91Å; R314-A317 PolarHBondContact O-N 3.45Å; Q315-A317 VanDerWaalsContact C-N 3.3Å; Q315-A317 PolarHBondContact O-N 3.17Å; A317-N320 PolarHBondContact O-N 2.7Å; A317-A321 WeakPolarHBondContact O-CA 3.25Å; A317-A321 WeakPolarHBondContact O-CB 3.19Å; A317-A321 PolarHBondContact O-N 2.82Å; A317-M327 HydrophobicContact CB-CG 3.99Å; A317-M327 HydrophobicContact CB-SD 3.89Å; A317-V331 HydrophobicContact CB-CB 4.33Å; A317-V331 HydrophobicContact CB-CG1 3.96Å; A317-M332 HydrophobicContact CB-CB 4.08Å; A317-M394 HydrophobicContact CB-CE 3.92Å; A317-M394 HydrophobicContact CB-SD 4.45Å
318	I	89.8	Confident	90.8	Very high	100 Å²	100	49.9 Å²	49.9	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-45	174.9	-68.1	162.2	0	0	0	110.6	R314 Q315 N320 M332	R314-I318 HydrophobicContact CG-CD1 4.38Å; R314-I318 WeakPolarHBondContact O-CG1 3.46Å; R314-I318 PolarHBondContact O-N 2.95Å; R314-I318 VanDerWaalsContact O-N 3.1Å; Q315-I318 WeakPolarHBondContact O-CB 3.4Å; Q315-I318 PolarHBondContact O-N 3.44Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 2.8Å; I318-M332 HydrophobicContact CD1-CG 4.34Å; I318-M332 HydrophobicContact CD1-SD 4.2Å; I318-M332 HydrophobicContact CG1-CG 3.83Å; I318-M332 HydrophobicContact CG1-SD 3.47Å; I318-M332 WeakPolarHBondContact CG1-SD 3.25Å
319	A	88.8	Confident	90.5	Very high	70 Å²	70	49.5 Å²	49.5	58%	0.579	27%	0.268	S	S	*	.	H	α-helix	trans	-66.3	-30.9	-180	0	0	0	0	0	113.2	Q315 L316	Q315-A319 PolarHBondContact O-N 3.43Å; L316-A319 PolarHBondContact O-N 3.02Å
320	N	85.2	Confident	90.2	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-104.8	-1	-175.8	-68.9	-68.5	0	0	0	114.8	L316 A317 I318 M461	L316-N320 WeakPolarHBondContact O-CB 3.17Å; L316-N320 PolarHBondContact O-N 2.85Å; L316-N320 PolarHBondContact O-ND2 3.39Å; A317-N320 PolarHBondContact O-N 2.7Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 2.8Å; N320-M461 HydrophobicContact CB-SD 4.45Å
321	A	85	Confident	89.9	Confident	5 Å²	5	46.3 Å²	46.3	4%	0.041	25%	0.25	C	C	.	.			trans	-66.6	-46.2	-172.8	0	0	0	0	0	113.5	A317 G323 C324 M327 L328	A317-A321 WeakPolarHBondContact O-CA 3.25Å; A317-A321 WeakPolarHBondContact O-CB 3.19Å; A317-A321 PolarHBondContact O-N 2.82Å; A321-G323 PolarHBondContact O-N 3.29Å; A321-C324 WeakPolarHBondContact O-CA 3.46Å; A321-C324 WeakPolarHBondContact O-CB 3.44Å; A321-C324 PolarHBondContact O-N 2.84Å; A321-M327 HydrophobicContact CB-CB 4.1Å; A321-M327 HydrophobicContact CB-CG 3.88Å; A321-L328 HydrophobicContact CB-CD2 3.65Å; A321-L328 HydrophobicContact CB-CG 4.11Å
322	E	78.1	Confident	89.5	Confident	129 Å²	129	48.2 Å²	48.2	60%	0.603	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	39.6	-175.2	-59.8	-151.5	133.7	0	0	115.2	C324 R460	E322-C324 VanDerWaalsContact C-N 3.26Å; E322-C324 PolarHBondContact O-N 2.91Å; E322-R460 IonicContact OE1-CZ 3.6Å; E322-R460 IonicContact OE1-NH1 3.3Å; E322-R460 PolarHBondContact OE1-NH1 3.09Å; E322-R460 IonicContact OE1-NH2 3.4Å; E322-R460 PolarHBondContact OE1-NH2 2.73Å; E322-R460 IonicContact OE2-CZ 3.22Å; E322-R460 VanDerWaalsContact OE2-CZ 3.3Å; E322-R460 IonicContact OE2-NE 3.02Å; E322-R460 IonicContact OE2-NH1 2.76Å; E322-R460 IonicContact OE2-NH2 2.77Å; E322-R460 PolarHBondContact OE2-NH2 2.99Å
323	G	79.5	Confident	89.2	Confident	64 Å²	64	51.4 Å²	51.4	66%	0.66	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	3.3	-177.1	0	0	0	0	0	115	A321 Q325	A321-G323 PolarHBondContact O-N 3.29Å; G323-Q325 PolarHBondContact O-N 3.3Å
324	C	88.9	Confident	89	Confident	12 Å²	12	54.4 Å²	54.4	8%	0.081	29%	0.291	C	S	.	.			trans	-61	103.2	169.2	-178.3	0	0	0	0	109.9	A321 E322 M327 L328 C457	A321-C324 WeakPolarHBondContact O-CA 3.46Å; A321-C324 WeakPolarHBondContact O-CB 3.44Å; A321-C324 PolarHBondContact O-N 2.84Å; E322-C324 VanDerWaalsContact C-N 3.26Å; E322-C324 PolarHBondContact O-N 2.91Å; C324-M327 HydrophobicContact CB-CB 3.98Å; C324-M327 WeakPolarHBondContact O-CB 3.17Å; C324-M327 PolarHBondContact O-N 3.31Å; C324-L328 PolarHBondContact O-N 2.95Å; C324-C457 HydrophobicContact CB-CB 3.83Å; C324-C457 PolarHBondContact SG-SG 3.34Å
325	Q	90.5	Very high	88.9	Confident	106 Å²	106	50.5 Å²	50.5	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-41.7	-177.8	-164.1	67	37	0	0	113.3	G323 M327 L328 N329	G323-Q325 PolarHBondContact O-N 3.3Å; Q325-M327 VanDerWaalsContact C-N 3.3Å; Q325-M327 PolarHBondContact O-N 3.17Å; Q325-L328 PolarHBondContact O-N 3.03Å; Q325-N329 WeakPolarHBondContact CG-ND2 3.26Å; Q325-N329 VanDerWaalsContact NE2-CG 3.32Å; Q325-N329 PolarHBondContact NE2-ND2 3.07Å; Q325-N329 VanDerWaalsContact NE2-ND2 3.13Å; Q325-N329 PolarHBondContact NE2-OD1 2.88Å; Q325-N329 WeakPolarHBondContact O-CB 3.42Å; Q325-N329 PolarHBondContact O-N 3.12Å
326	P	90	Very high	89	Confident	15 Å²	15	46.1 Å²	46.1	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-54.9	-41.3	172.1	-29.3	35.8	0	0	0	113.6	L328 N329 R330 E451 F452	P326-L328 PolarHBondContact O-N 3.43Å; P326-N329 PolarHBondContact O-N 2.98Å; P326-R330 WeakPolarHBondContact O-CB 3.43Å; P326-R330 WeakPolarHBondContact O-CG 3.34Å; P326-R330 PolarHBondContact O-N 2.96Å; P326-E451 HydrophobicContact CB-CB 4.26Å; P326-E451 HydrophobicContact CG-CB 3.98Å; P326-F452 HydrophobicContact CB-CD1 4.08Å; P326-F452 HydrophobicContact CB-CD2 4.08Å; P326-F452 HydrophobicContact CB-CE1 3.68Å; P326-F452 HydrophobicContact CB-CE2 3.7Å; P326-F452 HydrophobicContact CB-CG 4.28Å; P326-F452 HydrophobicContact CB-CZ 3.49Å; P326-F452 VanDerWaalsContact CB-CZ 3.49Å; P326-F452 WeakPolarHBondContact O-CZ 3.4Å
327	M	91.5	Very high	89.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-61.1	-47.9	178.5	-169.1	66.8	81.8	0	0	111.4	A317 A321 C324 Q325 V331 M332 V390 M394 F452 L458 M461	A317-M327 HydrophobicContact CB-CG 3.99Å; A317-M327 HydrophobicContact CB-SD 3.89Å; A321-M327 HydrophobicContact CB-CB 4.1Å; A321-M327 HydrophobicContact CB-CG 3.88Å; C324-M327 HydrophobicContact CB-CB 3.98Å; C324-M327 WeakPolarHBondContact O-CB 3.17Å; C324-M327 PolarHBondContact O-N 3.31Å; Q325-M327 VanDerWaalsContact C-N 3.3Å; Q325-M327 PolarHBondContact O-N 3.17Å; M327-V331 PolarHBondContact O-N 3.04Å; M327-V331 HydrophobicContact SD-CB 3.86Å; M327-V331 HydrophobicContact SD-CG1 4.14Å; M327-V331 HydrophobicContact SD-CG2 3.95Å; M327-M332 PolarHBondContact O-N 2.87Å; M327-V390 HydrophobicContact CE-CG1 3.86Å; M327-V390 HydrophobicContact SD-CG1 3.93Å; M327-M394 HydrophobicContact CE-CE 3.55Å; M327-M394 HydrophobicContact SD-CE 3.39Å; M327-M394 WeakPolarHBondContact SD-CE 3.22Å; M327-F452 HydrophobicContact CB-CE1 4.12Å; M327-F452 HydrophobicContact CB-CZ 4.43Å; M327-F452 HydrophobicContact CE-CE1 4.19Å; M327-F452 HydrophobicContact SD-CE1 4.29Å; M327-F452 HydrophobicContact SD-CZ 4.49Å; M327-L458 HydrophobicContact CE-CD2 4.09Å; M327-M461 HydrophobicContact CE-SD 4.07Å
328	L	88.4	Confident	89.5	Confident	46 Å²	46	45 Å²	45	24%	0.241	25%	0.253	C	S	.	.	I	π-helix	trans	-65.9	-43.1	-179.2	-63	175.1	0	0	0	112.2	A321 C324 Q325 P326 M332	A321-L328 HydrophobicContact CB-CD2 3.65Å; A321-L328 HydrophobicContact CB-CG 4.11Å; C324-L328 PolarHBondContact O-N 2.95Å; Q325-L328 PolarHBondContact O-N 3.03Å; P326-L328 PolarHBondContact O-N 3.43Å; L328-M332 HydrophobicContact CB-CE 4.18Å; L328-M332 HydrophobicContact CD2-CE 3.87Å; L328-M332 HydrophobicContact CD2-SD 3.76Å; L328-M332 WeakPolarHBondContact O-CB 3.44Å
329	N	90.4	Very high	90	Very high	91 Å²	91	40.3 Å²	40.3	49%	0.487	23%	0.229	S	C	.	.	I	π-helix	trans	-83.9	-35.3	-172.6	-70.6	-6.8	0	0	0	113.1	Q325 P326 T333	Q325-N329 WeakPolarHBondContact CG-ND2 3.26Å; Q325-N329 VanDerWaalsContact NE2-CG 3.32Å; Q325-N329 PolarHBondContact NE2-ND2 3.07Å; Q325-N329 VanDerWaalsContact NE2-ND2 3.13Å; Q325-N329 PolarHBondContact NE2-OD1 2.88Å; Q325-N329 WeakPolarHBondContact O-CB 3.42Å; Q325-N329 PolarHBondContact O-N 3.12Å; P326-N329 PolarHBondContact O-N 2.98Å; N329-T333 VanDerWaalsContact O-CG2 3.3Å; N329-T333 WeakPolarHBondContact O-CG2 3.34Å; N329-T333 PolarHBondContact O-OG1 2.86Å
330	R	93.1	Very high	90.4	Very high	42 Å²	42	37 Å²	37	16%	0.158	20%	0.202	C	C	.	.	I	π-helix	trans	-103.9	-37.2	-167	-54.6	-178.2	59.8	97.8	7.5	113.1	P326 R334 D386 V387 E451	P326-R330 WeakPolarHBondContact O-CB 3.43Å; P326-R330 WeakPolarHBondContact O-CG 3.34Å; P326-R330 PolarHBondContact O-N 2.96Å; R330-R334 WeakPolarHBondContact O-CG 3.4Å; R330-R334 PolarHBondContact O-NE 2.8Å; R330-D386 IonicContact CZ-OD1 3.91Å; R330-D386 IonicContact CZ-OD2 2.75Å; R330-D386 IonicContact NE-OD1 2.75Å; R330-D386 IonicContact NE-OD2 3.75Å; R330-D386 PolarHBondContact NE-OD2 3.49Å; R330-D386 IonicContact NH2-OD1 3.47Å; R330-D386 PolarHBondContact NH2-OD1 2.94Å; R330-D386 IonicContact NH2-OD2 3.6Å; R330-D386 PolarHBondContact NH2-OD2 3.46Å; R330-V387 HydrophobicContact CB-CG2 3.72Å; R330-V387 VanDerWaalsContact O-CG2 3.31Å; R330-V387 WeakPolarHBondContact O-CG2 3.42Å; R330-E451 IonicContact CZ-OE1 3.48Å; R330-E451 IonicContact NE-OE1 3.31Å; R330-E451 IonicContact NH1-OE1 2.84Å; R330-E451 PolarHBondContact NH1-OE1 3.21Å
331	V	91.8	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-100.4	-49.6	-174.8	-173.7	0	0	0	0	111.5	A317 M327 T333 R334 V387 V390 Q391 M394 F452	A317-V331 HydrophobicContact CB-CB 4.33Å; A317-V331 HydrophobicContact CB-CG1 3.96Å; M327-V331 PolarHBondContact O-N 3.04Å; M327-V331 HydrophobicContact SD-CB 3.86Å; M327-V331 HydrophobicContact SD-CG1 4.14Å; M327-V331 HydrophobicContact SD-CG2 3.95Å; V331-T333 PolarHBondContact O-N 2.85Å; V331-R334 WeakPolarHBondContact O-CB 3.33Å; V331-R334 PolarHBondContact O-N 3.16Å; V331-R334 VanDerWaalsContact O-N 3.08Å; V331-V387 HydrophobicContact CG2-CG1 4.31Å; V331-V387 HydrophobicContact CG2-CG2 4.33Å; V331-V390 HydrophobicContact CG1-CG1 4.38Å; V331-V390 HydrophobicContact CG2-CB 4.17Å; V331-V390 HydrophobicContact CG2-CG1 3.93Å; V331-Q391 HydrophobicContact CG1-CG 4.24Å; V331-M394 HydrophobicContact CG1-CE 4.35Å; V331-M394 HydrophobicContact CG1-SD 4.37Å; V331-F452 HydrophobicContact CG2-CE2 4.16Å; V331-F452 HydrophobicContact CG2-CZ 3.73Å
332	M	89.2	Confident	91.7	Very high	48 Å²	48	36 Å²	36	24%	0.236	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.9	-177.7	-174.7	-174.8	69.8	0	0	113.5	R314 A317 I318 M327 L328 R334	R314-M332 WeakPolarHBondContact CD-O 3.34Å; R314-M332 HydrophobicContact CG-CG 4.08Å; R314-M332 VanDerWaalsContact CG-O 3.28Å; R314-M332 WeakPolarHBondContact CG-O 3.44Å; R314-M332 PolarHBondContact NE-O 2.8Å; A317-M332 HydrophobicContact CB-CB 4.08Å; I318-M332 HydrophobicContact CD1-CG 4.34Å; I318-M332 HydrophobicContact CD1-SD 4.2Å; I318-M332 HydrophobicContact CG1-CG 3.83Å; I318-M332 HydrophobicContact CG1-SD 3.47Å; I318-M332 WeakPolarHBondContact CG1-SD 3.25Å; M327-M332 PolarHBondContact O-N 2.87Å; L328-M332 HydrophobicContact CB-CE 4.18Å; L328-M332 HydrophobicContact CD2-CE 3.87Å; L328-M332 HydrophobicContact CD2-SD 3.76Å; L328-M332 WeakPolarHBondContact O-CB 3.44Å; M332-R334 PolarHBondContact O-N 3.01Å
333	T	87.7	Confident	92.5	Very high	84 Å²	84	29.9 Å²	29.9	52%	0.515	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.7	177.4	54.1	0	0	0	0	113.4	N329 V331	N329-T333 VanDerWaalsContact O-CG2 3.3Å; N329-T333 WeakPolarHBondContact O-CG2 3.34Å; N329-T333 PolarHBondContact O-OG1 2.86Å; V331-T333 PolarHBondContact O-N 2.85Å
334	R	91.2	Very high	93	Very high	63 Å²	63	27.2 Å²	27.2	24%	0.238	14%	0.138	C	C	.	.			trans	-103.4	146.6	-178.2	-49.1	-52.8	-178	174.6	6.7	111.1	R330 V331 M332 V387	R330-R334 WeakPolarHBondContact O-CG 3.4Å; R330-R334 PolarHBondContact O-NE 2.8Å; V331-R334 WeakPolarHBondContact O-CB 3.33Å; V331-R334 PolarHBondContact O-N 3.16Å; V331-R334 VanDerWaalsContact O-N 3.08Å; M332-R334 PolarHBondContact O-N 3.01Å; R334-V387 HydrophobicContact CG-CG1 4.15Å
335	D	91.8	Very high	92.8	Very high	40 Å²	40	26.7 Å²	26.7	21%	0.214	13%	0.134	C	C	.	.			trans	-105.8	7.1	-174.2	68	-27.9	0	0	0	113.9	S261 R262	S261-D335 PolarHBondContact N-O 3.42Å; S261-D335 VanDerWaalsContact OG-CA 3.28Å; S261-D335 WeakPolarHBondContact OG-CA 3.39Å; S261-D335 VanDerWaalsContact OG-CB 3.29Å; S261-D335 WeakPolarHBondContact OG-CB 3.22Å; S261-D335 PolarHBondContact OG-O 2.98Å; R262-D335 WeakPolarHBondContact CD-OD2 3.27Å; R262-D335 WeakPolarHBondContact CG-OD2 3.38Å; R262-D335 IonicContact CZ-OD2 3.73Å; R262-D335 IonicContact NE-OD2 2.91Å
336	N	94.6	Very high	92	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.037	12%	0.123	C	C	.	.			trans	-55.8	150.8	177.5	-63.7	99.7	0	0	0	111.8	F313 H377 Q391	F313-N336 HydrophobicContact CD2-CB 3.76Å; F313-N336 VanDerWaalsContact CD2-O 3.29Å; F313-N336 WeakPolarHBondContact CD2-O 3.23Å; F313-N336 HydrophobicContact CE2-CB 4.19Å; N336-H377 PolarHBondContact ND2-O 3.31Å; N336-Q391 PolarHBondContact OD1-NE2 2.95Å
337	I	96.8	Very high	90.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	165.8	-178.7	58.7	158.6	0	0	0	110.7	S258 P259 L310 I311 E312 H377	S258-I337 WeakPolarHBondContact O-CD1 3.45Å; P259-I337 WeakPolarHBondContact O-CD1 3.37Å; L310-I337 HydrophobicContact CD1-CB 4.03Å; L310-I337 HydrophobicContact CD1-CD1 3.99Å; L310-I337 HydrophobicContact CD1-CG2 4.21Å; I311-I337 CarbonylContact O-C 3.56Å; I311-I337 VanDerWaalsContact O-CA 3.26Å; I311-I337 WeakPolarHBondContact O-CA 3.17Å; E312-I337 HydrophobicContact CG-CG2 4.16Å; I337-H377 PolarHBondContact O-N 3.24Å
338	A	98.4	Very high	88.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.7	159	0	0	0	0	0	110.1	I311 F313 T375 A376 L395	I311-A338 HydrophobicContact CB-CB 4.14Å; I311-A338 PolarHBondContact N-O 2.79Å; I311-A338 PolarHBondContact O-N 3.04Å; F313-A338 HydrophobicContact CZ-CB 4.06Å; A338-T375 CarbonylContact C-O 3.56Å; A338-T375 WeakPolarHBondContact CA-O 3.37Å; A338-T375 WeakPolarHBondContact CB-O 3.44Å; A338-A376 HydrophobicContact CB-CB 3.74Å; A338-L395 HydrophobicContact CB-CD1 3.44Å; A338-L395 VanDerWaalsContact CB-CD1 3.44Å
339	L	98.7	Very high	86.7	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.9	179.5	178.5	60.2	0	0	0	109.1	I256 C277 C374 T375	I256-L339 HydrophobicContact CD1-CD1 4.07Å; I256-L339 HydrophobicContact CD1-CD2 4.08Å; I256-L339 HydrophobicContact CD1-CG 4.1Å; I256-L339 HydrophobicContact CG1-CD2 3.95Å; C277-L339 HydrophobicContact CB-CB 4.05Å; C277-L339 WeakPolarHBondContact O-CD2 3.38Å; L339-C374 CarbonylContact O-C 3.58Å; L339-C374 WeakPolarHBondContact O-CA 3.33Å; L339-T375 HydrophobicContact CB-CG2 3.96Å; L339-T375 PolarHBondContact N-O 3.2Å; L339-T375 PolarHBondContact O-N 2.91Å
340	V	98.8	Very high	84.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.4	178.2	-169.7	0	0	0	0	108.7	E308 H309 I311 V372 V373 C374 L399 L402	E308-V340 CarbonylContact C-O 3.41Å; E308-V340 VanDerWaalsContact CA-O 3.27Å; E308-V340 WeakPolarHBondContact CA-O 3.4Å; H309-V340 HydrophobicContact CB-CB 4.16Å; H309-V340 PolarHBondContact N-O 2.91Å; H309-V340 PolarHBondContact O-N 2.87Å; I311-V340 HydrophobicContact CD1-CG2 3.74Å; I311-V340 HydrophobicContact CG1-CG2 4.37Å; V340-V372 HydrophobicContact CG1-CG1 3.69Å; V340-V373 CarbonylContact C-O 3.51Å; V340-V373 VanDerWaalsContact CA-O 3.3Å; V340-V373 WeakPolarHBondContact CA-O 3.18Å; V340-C374 HydrophobicContact CG2-CB 4.25Å; V340-L399 HydrophobicContact CB-CD2 4.5Å; V340-L399 HydrophobicContact CG1-CD2 3.99Å; V340-L399 HydrophobicContact CG2-CD2 3.63Å; V340-L402 HydrophobicContact CB-CD1 4.44Å; V340-L402 HydrophobicContact CG1-CD1 4.28Å; V340-L402 HydrophobicContact CG2-CD1 4.25Å
341	G	98.5	Very high	81.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.8	170	0	0	0	0	0	109.8	L343 V373	G341-L343 PolarHBondContact O-N 2.81Å; G341-V373 PolarHBondContact N-O 2.84Å; G341-V373 PolarHBondContact O-N 2.81Å
342	V	98	Very high	78.5	Confident	6 Å²	6	28.6 Å²	28.6	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	99	172.3	-173.6	0	0	0	0	107.6	K306 D307 P370 I406	K306-V342 HydrophobicContact CB-CG1 4.47Å; K306-V342 PolarHBondContact N-O 2.91Å; D307-V342 HydrophobicContact CB-CB 4.2Å; D307-V342 HydrophobicContact CB-CG2 4.16Å; D307-V342 PolarHBondContact O-N 3.18Å; V342-P370 HydrophobicContact CG1-CB 4.43Å; V342-I406 HydrophobicContact CB-CD1 4.44Å; V342-I406 HydrophobicContact CG1-CD1 4Å; V342-I406 HydrophobicContact CG1-CG1 4.46Å; V342-I406 HydrophobicContact CG2-CD1 3.52Å; V342-I406 HydrophobicContact CG2-CG1 4.39Å
343	L	95.2	Very high	75.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.1	177	-56.9	-177.8	0	0	0	109.1	V229 W281 F303 L305 G341 P370 L371 V373	V229-L343 HydrophobicContact CG1-CD1 4.3Å; V229-L343 HydrophobicContact CG2-CD1 3.78Å; W281-L343 HydrophobicContact CB-CD1 3.95Å; W281-L343 HydrophobicContact CB-CD2 4.48Å; W281-L343 HydrophobicContact CD2-CD2 3.59Å; W281-L343 HydrophobicContact CE3-CD2 3.66Å; W281-L343 HydrophobicContact CG-CD1 4.28Å; W281-L343 HydrophobicContact CG-CD2 3.93Å; W281-L343 HydrophobicContact CZ3-CD2 4.19Å; F303-L343 HydrophobicContact CB-CB 4.4Å; F303-L343 HydrophobicContact CB-CD1 4.3Å; F303-L343 HydrophobicContact CD1-CB 3.88Å; F303-L343 HydrophobicContact CD1-CD1 4.3Å; F303-L343 HydrophobicContact CG-CB 4.42Å; F303-L343 HydrophobicContact CG-CD1 4.23Å; L305-L343 HydrophobicContact CB-CD2 4.37Å; L305-L343 HydrophobicContact CD1-CD2 3.9Å; G341-L343 PolarHBondContact O-N 2.81Å; L343-P370 CarbonylContact O-C 3.24Å; L343-P370 WeakPolarHBondContact O-CA 3.2Å; L343-L371 HydrophobicContact CB-CB 4.44Å; L343-L371 PolarHBondContact N-O 3.34Å; L343-L371 PolarHBondContact O-N 2.78Å; L343-V373 HydrophobicContact CD1-CG2 3.98Å; L343-V373 HydrophobicContact CG-CG2 4.37Å
344	Q	90.2	Very high	73.3	Confident	9 Å²	9	29.6 Å²	29.6	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.1	168.2	-170.7	-177.4	-58.1	0	0	108.8	F303 K304 K306 Q346 K368	F303-Q344 WeakPolarHBondContact CA-O 3.28Å; K304-Q344 PolarHBondContact N-O 2.87Å; K304-Q344 PolarHBondContact O-N 2.81Å; K306-Q344 HydrophobicContact CG-CB 3.66Å; Q344-Q346 HydrophobicContact CG-CG 4.18Å; Q344-Q346 PolarHBondContact O-N 2.9Å; Q344-K368 HydrophobicContact CG-CB 4.39Å; Q344-K368 VanDerWaalsContact NE2-CG 3.29Å
345	L	83.5	Confident	70.5	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	118.8	164.1	-173.7	72.9	0	0	0	108	Y301 F303 L367 V369 F549	Y301-L345 HydrophobicContact CD1-CD1 4.44Å; Y301-L345 HydrophobicContact CD2-CD1 3.54Å; Y301-L345 HydrophobicContact CE2-CD1 4.38Å; Y301-L345 HydrophobicContact CG-CD1 3.58Å; F303-L345 HydrophobicContact CD1-CB 4.47Å; F303-L345 HydrophobicContact CD1-CD1 4.27Å; F303-L345 HydrophobicContact CE1-CB 4.12Å; F303-L345 HydrophobicContact CE1-CD1 3.75Å; F303-L345 HydrophobicContact CZ-CD1 3.98Å; L345-L367 HydrophobicContact CD2-CD2 3.77Å; L345-L367 VanDerWaalsContact O-O 3.13Å; L345-V369 HydrophobicContact CB-CB 4.38Å; L345-V369 PolarHBondContact N-O 3.3Å; L345-V369 PolarHBondContact O-N 3.17Å; L345-F549 HydrophobicContact CD1-CE2 4.36Å; L345-F549 HydrophobicContact CD2-CD2 3.94Å; L345-F549 HydrophobicContact CD2-CE2 3.69Å; L345-F549 HydrophobicContact CD2-CZ 4.26Å; L345-F549 HydrophobicContact CG-CE2 4.47Å
346	Q	74.2	Confident	67.8	Low	54 Å²	54	34.8 Å²	34.8	25%	0.252	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.3	172.7	-58.6	-168.2	-35.2	0	0	107.8	Y301 R302 Q344	Y301-Q346 CarbonylContact C-O 3.41Å; Y301-Q346 WeakPolarHBondContact CA-O 3.49Å; R302-Q346 PolarHBondContact N-O 2.9Å; R302-Q346 PolarHBondContact O-N 3Å; Q344-Q346 HydrophobicContact CG-CG 4.18Å; Q344-Q346 PolarHBondContact O-N 2.9Å
347	E	62.6	Low	65.4	Low	27 Å²	27	40.7 Å²	40.7	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.4	169.7	-73.7	-178.4	161.3	0	0	110.1	F349 L367	E347-F349 HydrophobicContact CB-CD2 3.97Å; E347-F349 HydrophobicContact CG-CD2 4.33Å; E347-F349 HydrophobicContact CG-CE2 4.44Å; E347-F349 WeakPolarHBondContact OE2-CD2 3.4Å; E347-F349 WeakPolarHBondContact OE2-CE2 3.41Å; E347-L367 HydrophobicContact CB-CB 4.21Å; E347-L367 HydrophobicContact CG-CB 3.88Å; E347-L367 HydrophobicContact CG-CD2 3.97Å; E347-L367 WeakPolarHBondContact OE1-CD2 3.32Å; E347-L367 VanDerWaalsContact OE2-CB 3.29Å; E347-L367 WeakPolarHBondContact OE2-CB 3.29Å
348	N	49.4	Very low	62.8	Low	78 Å²	78	45.5 Å²	45.5	42%	0.417	28%	0.277	S	S	.	.			trans	-95.3	79.6	162.4	-76.6	-16.1	0	0	0	108.2	G300	G300-N348 PolarHBondContact O-N 3.48Å; G300-N348 VanDerWaalsContact O-N 3.16Å
349	F	46	Very low	59.7	Low	47 Å²	47	49.1 Å²	49.1	21%	0.206	30%	0.302	C	S	.	.			trans	-84.8	123	170.7	-100.1	-72.9	0	0	0	111.8	M176 E347 C351	M176-F349 HydrophobicContact CE-CE1 3.72Å; M176-F349 HydrophobicContact CE-CZ 4.06Å; E347-F349 HydrophobicContact CB-CD2 3.97Å; E347-F349 HydrophobicContact CG-CD2 4.33Å; E347-F349 HydrophobicContact CG-CE2 4.44Å; E347-F349 WeakPolarHBondContact OE2-CD2 3.4Å; E347-F349 WeakPolarHBondContact OE2-CE2 3.41Å; F349-C351 HydrophobicContact CD1-CB 3.66Å; F349-C351 HydrophobicContact CE1-CB 4.01Å
350	A	35.9	Very low	56.5	Low	52 Å²	52	53.5 Å²	53.5	43%	0.43	33%	0.331	S	S	.	.			trans	-120.8	73.3	148.9	0	0	0	0	0	108.1
351	C	38.6	Very low	53.2	Low	33 Å²	33	55.3 Å²	55.3	22%	0.223	35%	0.35	C	S	.	.			trans	-96.5	109.2	167.8	-175.8	0	0	0	0	108	F349 C353 V362	F349-C351 HydrophobicContact CD1-CB 3.66Å; F349-C351 HydrophobicContact CE1-CB 4.01Å; C351-C353 VanDerWaalsContact C-N 3.33Å; C351-C353 PolarHBondContact O-N 3.05Å; C351-V362 WeakPolarHBondContact O-CG1 3.44Å
352	T	29.2	Very low	50.1	Low	48 Å²	48	58.3 Å²	58.3	29%	0.294	37%	0.368	S	S	.	.			trans	-66.2	100.7	155	38.5	0	0	0	0	106.5	L295 V354 P360 V362	L295-T352 HydrophobicContact CD1-CG2 4.17Å; L295-T352 WeakPolarHBondContact CD1-OG1 3.31Å; L295-T352 WeakPolarHBondContact CD2-OG1 3.28Å; T352-V354 PolarHBondContact O-N 3.36Å; T352-P360 HydrophobicContact CG2-CB 4.24Å; T352-V362 HydrophobicContact CG2-CG2 3.8Å
353	C	34.7	Very low	47	Very low	23 Å²	23	62.9 Å²	62.9	16%	0.155	40%	0.396	C	S	.	.			trans	-63.4	123.5	160.6	57.9	0	0	0	0	106.7	C351 T355 G361	C351-C353 VanDerWaalsContact C-N 3.33Å; C351-C353 PolarHBondContact O-N 3.05Å; C353-T355 HydrophobicContact CB-CG2 4.2Å; C353-T355 PolarHBondContact O-N 3.02Å; C353-G361 PolarHBondContact SG-O 2.81Å
354	V	32	Very low	44.3	Very low	131 Å²	131	69.8 Å²	69.8	79%	0.794	43%	0.428	S	S	*	.			trans	-74.4	66	158	-171.1	0	0	0	0	105.7	T352	T352-V354 PolarHBondContact O-N 3.36Å
355	T	34.4	Very low	41.9	Very low	79 Å²	79	72 Å²	72	49%	0.485	45%	0.447	S	S	.	.			trans	-62.1	133.4	148.1	45.7	0	0	0	0	104.8	C353 S359	C353-T355 HydrophobicContact CB-CG2 4.2Å; C353-T355 PolarHBondContact O-N 3.02Å; T355-S359 PolarHBondContact OG1-O 3.35Å
356	D	35	Very low	40.4	Very low	132 Å²	132	78 Å²	78	71%	0.706	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-14.3	136.1	-177.5	-69	-40.6	0	0	0	115.6	S358 S359	D356-S358 WeakPolarHBondContact O-CA 3.47Å; D356-S358 PolarHBondContact O-N 3.18Å; D356-S358 PolarHBondContact O-OG 3.21Å; D356-S359 PolarHBondContact O-N 2.86Å; D356-S359 VanDerWaalsContact O-N 3.13Å
357	S	42.9	Very low	39.9	Very low	131 Å²	131	76.4 Å²	76.4	92%	0.916	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.7	-7.3	-179.1	47.4	0	0	0	0	119.4
358	S	42.1	Very low	40.6	Very low	103 Å²	103	80.5 Å²	80.5	72%	0.72	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.2	167.3	39.5	0	0	0	0	116.6	D356	D356-S358 WeakPolarHBondContact O-CA 3.47Å; D356-S358 PolarHBondContact O-N 3.18Å; D356-S358 PolarHBondContact O-OG 3.21Å
359	S	34.7	Very low	42.1	Very low	76 Å²	76	77 Å²	77	53%	0.531	47%	0.467	S	S	.	.			trans	-170.6	118.6	173	-64.2	0	0	0	0	112.3	T355 D356 G361	T355-S359 PolarHBondContact OG1-O 3.35Å; D356-S359 PolarHBondContact O-N 2.86Å; D356-S359 VanDerWaalsContact O-N 3.13Å; S359-G361 PolarHBondContact O-N 3.47Å
360	P	30.4	Very low	44.4	Very low	93 Å²	93	74.8 Å²	74.8	60%	0.604	46%	0.458	S	S	*	.			trans	-72.6	79.7	165.4	29.8	-30.4	0	0	0	108.8	T352 V362	T352-P360 HydrophobicContact CG2-CB 4.24Å; P360-V362 PolarHBondContact O-N 2.7Å; P360-V362 VanDerWaalsContact O-N 3.08Å
361	G	30.5	Very low	47.2	Very low	39 Å²	39	72.3 Å²	72.3	40%	0.402	44%	0.437	S	S	.	.			trans	-77	92.2	177.4	0	0	0	0	0	109.6	C353 S359 V363	C353-G361 PolarHBondContact SG-O 2.81Å; S359-G361 PolarHBondContact O-N 3.47Å; G361-V363 PolarHBondContact O-N 3.06Å
362	V	33	Very low	50	Low	63 Å²	63	70.8 Å²	70.8	38%	0.382	43%	0.427	S	S	.	.			trans	-52.3	105.5	173.7	-177.2	0	0	0	0	108.7	C351 T352 P360 Q364	C351-V362 WeakPolarHBondContact O-CG1 3.44Å; T352-V362 HydrophobicContact CG2-CG2 3.8Å; P360-V362 PolarHBondContact O-N 2.7Å; P360-V362 VanDerWaalsContact O-N 3.08Å; V362-Q364 HydrophobicContact CG1-CG 3.83Å; V362-Q364 PolarHBondContact O-N 2.96Å
363	V	32.9	Very low	53.3	Low	102 Å²	102	68.5 Å²	68.5	62%	0.618	41%	0.413	S	S	*	.			trans	-75.5	88	170.3	-174.8	0	0	0	0	105.8	G361 A365	G361-V363 PolarHBondContact O-N 3.06Å; V363-A365 HydrophobicContact CG1-CB 4.47Å; V363-A365 PolarHBondContact O-N 3.34Å
364	Q	38.2	Very low	56.4	Low	145 Å²	145	67.4 Å²	67.4	68%	0.678	41%	0.405	S	S	*	.			trans	-70.1	76.5	164.5	-77.2	-179.8	-25.6	0	0	107.9	V362 Q366	V362-Q364 HydrophobicContact CG1-CG 3.83Å; V362-Q364 PolarHBondContact O-N 2.96Å; Q364-Q366 VanDerWaalsContact C-N 3.33Å; Q364-Q366 PolarHBondContact O-N 3.46Å; Q364-Q366 VanDerWaalsContact O-N 3.07Å
365	A	39.9	Very low	59.6	Low	54 Å²	54	61.1 Å²	61.1	45%	0.446	37%	0.368	S	S	.	.			trans	-70.4	99.5	159.6	0	0	0	0	0	106.2	V363 L367	V363-A365 HydrophobicContact CG1-CB 4.47Å; V363-A365 PolarHBondContact O-N 3.34Å; A365-L367 PolarHBondContact O-N 3.06Å
366	Q	52.4	Low	62.6	Low	128 Å²	128	57.4 Å²	57.4	60%	0.598	34%	0.344	S	S	*	.			trans	-73.1	87.3	164.7	-81.3	-169.6	-11.2	0	0	107.3	Q364 K368	Q364-Q366 VanDerWaalsContact C-N 3.33Å; Q364-Q366 PolarHBondContact O-N 3.46Å; Q364-Q366 VanDerWaalsContact O-N 3.07Å; Q366-K368 PolarHBondContact O-N 3.43Å
367	L	63.7	Low	65.6	Low	20 Å²	20	51.4 Å²	51.4	11%	0.105	31%	0.312	C	S	.	.			trans	-63.9	123.6	169.1	-171.8	72.4	0	0	0	108.5	L345 E347 A365 V369 L554	L345-L367 HydrophobicContact CD2-CD2 3.77Å; L345-L367 VanDerWaalsContact O-O 3.13Å; E347-L367 HydrophobicContact CB-CB 4.21Å; E347-L367 HydrophobicContact CG-CB 3.88Å; E347-L367 HydrophobicContact CG-CD2 3.97Å; E347-L367 WeakPolarHBondContact OE1-CD2 3.32Å; E347-L367 VanDerWaalsContact OE2-CB 3.29Å; E347-L367 WeakPolarHBondContact OE2-CB 3.29Å; A365-L367 PolarHBondContact O-N 3.06Å; L367-V369 HydrophobicContact CD1-CG2 3.55Å; L367-V369 HydrophobicContact CD2-CG2 4.15Å; L367-V369 HydrophobicContact CG-CG2 3.73Å; L367-L554 HydrophobicContact CD1-CD2 4.25Å; L367-L554 HydrophobicContact CD2-CD2 3.43Å; L367-L554 VanDerWaalsContact CD2-CD2 3.43Å; L367-L554 HydrophobicContact CG-CD2 4.45Å
368	K	76.1	Confident	68.2	Low	113 Å²	113	45.2 Å²	45.2	49%	0.491	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	78.4	176.6	-65.3	-175.4	-178.6	164.2	0	107.9	Q344 Q366	Q344-K368 HydrophobicContact CG-CB 4.39Å; Q344-K368 VanDerWaalsContact NE2-CG 3.29Å; Q366-K368 PolarHBondContact O-N 3.43Å
369	V	82.3	Confident	70.8	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.5	-179.5	169.8	0	0	0	0	108.6	L345 L367 P418 F549 V553	L345-V369 HydrophobicContact CB-CB 4.38Å; L345-V369 PolarHBondContact N-O 3.3Å; L345-V369 PolarHBondContact O-N 3.17Å; L367-V369 HydrophobicContact CD1-CG2 3.55Å; L367-V369 HydrophobicContact CD2-CG2 4.15Å; L367-V369 HydrophobicContact CG-CG2 3.73Å; V369-P418 HydrophobicContact CG1-CG 4.22Å; V369-F549 HydrophobicContact CG1-CD1 4.11Å; V369-F549 HydrophobicContact CG1-CE1 3.9Å; V369-V553 HydrophobicContact CB-CG1 4.36Å; V369-V553 HydrophobicContact CG1-CG1 3.36Å; V369-V553 HydrophobicContact CG2-CG1 4.02Å
370	P	92.7	Very high	73.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	146	170.4	31.9	-33.7	0	0	0	110.1	V342 L343 I406 H410 M412 P418	V342-P370 HydrophobicContact CG1-CB 4.43Å; L343-P370 CarbonylContact O-C 3.24Å; L343-P370 WeakPolarHBondContact O-CA 3.2Å; P370-I406 HydrophobicContact CB-CG2 3.8Å; P370-I406 HydrophobicContact CG-CG2 3.9Å; P370-H410 HydrophobicContact CG-CB 4.44Å; P370-M412 HydrophobicContact CG-SD 3.68Å; P370-P418 WeakPolarHBondContact O-CD 3.46Å; P370-P418 WeakPolarHBondContact O-CG 3.4Å
371	L	95.3	Very high	76.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.3	171.9	173.7	67.6	0	0	0	107.6	F183 F303 L343 V373 P418 I420 L509 F549	F183-L371 HydrophobicContact CD2-CD2 4.48Å; F183-L371 HydrophobicContact CE2-CD2 3.61Å; F183-L371 HydrophobicContact CZ-CD1 4.17Å; F183-L371 HydrophobicContact CZ-CD2 3.69Å; F303-L371 HydrophobicContact CE1-CD2 3.85Å; F303-L371 HydrophobicContact CZ-CD2 4.05Å; L343-L371 HydrophobicContact CB-CB 4.44Å; L343-L371 PolarHBondContact N-O 3.34Å; L343-L371 PolarHBondContact O-N 2.78Å; L371-V373 HydrophobicContact CD2-CG2 3.92Å; L371-V373 HydrophobicContact CG-CG2 3.85Å; L371-P418 HydrophobicContact CD1-CB 3.96Å; L371-P418 HydrophobicContact CD1-CG 4.19Å; L371-I420 HydrophobicContact CD1-CD1 4.07Å; L371-I420 HydrophobicContact CD1-CG1 4.15Å; L371-L509 HydrophobicContact CD1-CD1 4.14Å; L371-F549 HydrophobicContact CB-CZ 4.38Å; L371-F549 HydrophobicContact CD1-CE1 4.36Å; L371-F549 HydrophobicContact CD1-CZ 4.49Å; L371-F549 HydrophobicContact CD2-CZ 4.36Å
372	V	98.5	Very high	79.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.5	176.6	-176.3	0	0	0	0	108.1	V340 L399 V403 I406 V417 P418 V419 I420	V340-V372 HydrophobicContact CG1-CG1 3.69Å; V372-L399 HydrophobicContact CG1-CD2 4.36Å; V372-V403 HydrophobicContact CG2-CG2 4.47Å; V372-I406 HydrophobicContact CG2-CD1 3.47Å; V372-I406 VanDerWaalsContact CG2-CD1 3.47Å; V372-V417 HydrophobicContact CG2-CG1 3.8Å; V372-P418 PolarHBondContact N-O 3.25Å; V372-V419 HydrophobicContact CB-CG1 4.45Å; V372-V419 HydrophobicContact CB-CG2 4.22Å; V372-V419 HydrophobicContact CG1-CG1 4.46Å; V372-V419 CarbonylContact O-C 3.59Å; V372-V419 WeakPolarHBondContact O-CA 3.31Å; V372-I420 PolarHBondContact O-N 3.27Å
373	V	98.7	Very high	82.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.9	174.7	-173.1	0	0	0	0	107.6	V229 M279 V340 G341 L343 L371 I420	V229-V373 HydrophobicContact CG1-CG1 3.95Å; V229-V373 HydrophobicContact CG1-CG2 4.17Å; M279-V373 HydrophobicContact CE-CB 3.97Å; M279-V373 HydrophobicContact CE-CG1 3.72Å; M279-V373 WeakPolarHBondContact CE-O 3.27Å; M279-V373 HydrophobicContact SD-CB 3.76Å; M279-V373 HydrophobicContact SD-CG1 3.77Å; V340-V373 CarbonylContact C-O 3.51Å; V340-V373 VanDerWaalsContact CA-O 3.3Å; V340-V373 WeakPolarHBondContact CA-O 3.18Å; G341-V373 PolarHBondContact N-O 2.84Å; G341-V373 PolarHBondContact O-N 2.81Å; L343-V373 HydrophobicContact CD1-CG2 3.98Å; L343-V373 HydrophobicContact CG-CG2 4.37Å; L371-V373 HydrophobicContact CD2-CG2 3.92Å; L371-V373 HydrophobicContact CG-CG2 3.85Å; V373-I420 CarbonylContact C-O 3.57Å; V373-I420 WeakPolarHBondContact CA-O 3.42Å
374	C	98.8	Very high	85.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.6	175.8	178.3	0	0	0	0	109.4	L339 V340 L399 I420 L421 C422	L339-C374 CarbonylContact O-C 3.58Å; L339-C374 WeakPolarHBondContact O-CA 3.33Å; V340-C374 HydrophobicContact CG2-CB 4.25Å; C374-L399 HydrophobicContact CB-CD1 3.91Å; C374-L399 HydrophobicContact CB-CD2 3.77Å; C374-L399 HydrophobicContact CB-CG 4.46Å; C374-I420 PolarHBondContact N-O 3.2Å; C374-L421 HydrophobicContact CB-CD1 3.94Å; C374-C422 PolarHBondContact O-N 3.03Å
375	T	98.6	Very high	88.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.6	168.4	-173.4	0	0	0	0	111.2	Q233 C277 M279 A338 L339 C422	Q233-T375 PolarHBondContact NE2-OG1 3.08Å; C277-T375 HydrophobicContact CB-CG2 3.86Å; M279-T375 HydrophobicContact CE-CG2 4.06Å; A338-T375 CarbonylContact C-O 3.56Å; A338-T375 WeakPolarHBondContact CA-O 3.37Å; A338-T375 WeakPolarHBondContact CB-O 3.44Å; L339-T375 HydrophobicContact CB-CG2 3.96Å; L339-T375 PolarHBondContact N-O 3.2Å; L339-T375 PolarHBondContact O-N 2.91Å; T375-C422 CarbonylContact C-O 3.55Å; T375-C422 VanDerWaalsContact CA-O 3.25Å; T375-C422 WeakPolarHBondContact CA-O 3.38Å
376	A	98.4	Very high	91.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.3	-179.3	0	0	0	0	0	111.7	A338 I378 L395 C422 G423 D424	A338-A376 HydrophobicContact CB-CB 3.74Å; A376-I378 HydrophobicContact CB-CD1 4.34Å; A376-I378 HydrophobicContact CB-CG1 4.47Å; A376-L395 HydrophobicContact CB-CD2 3.65Å; A376-C422 PolarHBondContact N-O 3.11Å; A376-G423 VanDerWaalsContact O-CA 3.24Å; A376-G423 WeakPolarHBondContact O-CA 3.39Å; A376-D424 PolarHBondContact O-N 3.16Å
377	H	97.4	Very high	93.2	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.032	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	94.9	164.7	-176.3	-177.6	0	0	0	108.2	Q233 E234 N336 I337 D424	Q233-H377 HydrophobicContact CB-CB 4.2Å; Q233-H377 HydrophobicContact CG-CB 4.1Å; E234-H377 VanDerWaalsContact CG-CE1 3.45Å; E234-H377 WeakPolarHBondContact CG-CE1 3.44Å; E234-H377 IonicContact OE1-CE1 2.73Å; E234-H377 PolarHBondContact OE1-CE1 2.97Å; E234-H377 VanDerWaalsContact OE1-CE1 3.24Å; E234-H377 IonicContact OE1-NE2 3.56Å; N336-H377 PolarHBondContact ND2-O 3.31Å; I337-H377 PolarHBondContact O-N 3.24Å; H377-D424 IonicContact CD2-OD2 3.7Å; H377-D424 IonicContact NE2-OD2 3.14Å
378	I	97.8	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.			trans	-74.9	156.6	-177.9	-60	-61.8	0	0	0	110	F313 A376 W380 K388 Q391 D424 L425 N426	F313-I378 HydrophobicContact CE2-CD1 3.89Å; F313-I378 HydrophobicContact CZ-CD1 3.73Å; A376-I378 HydrophobicContact CB-CD1 4.34Å; A376-I378 HydrophobicContact CB-CG1 4.47Å; I378-W380 PolarHBondContact O-N 3.12Å; I378-K388 HydrophobicContact CG2-CB 3.71Å; I378-K388 HydrophobicContact CG2-CG 3.9Å; I378-Q391 HydrophobicContact CD1-CB 3.92Å; I378-Q391 HydrophobicContact CG2-CB 4.47Å; I378-D424 PolarHBondContact N-O 3.45Å; I378-L425 HydrophobicContact CG1-CD2 3.75Å; I378-N426 PolarHBondContact O-ND2 3.37Å; I378-N426 VanDerWaalsContact O-ND2 3.13Å
379	H	96.6	Very high	95.9	Very high	13 Å²	13	25.7 Å²	25.7	6%	0.06	12%	0.124	C	C	.	.			trans	-50.6	134.2	-178.8	-171.6	67.4	0	0	0	113.2	H381 V387 K388 N426	H379-H381 WeakPolarHBondContact NE2-CB 3.27Å; H379-V387 HydrophobicContact CB-CG1 4.23Å; H379-K388 HydrophobicContact CB-CG 4.46Å; H379-K388 WeakPolarHBondContact O-CD 3.42Å; H379-K388 WeakPolarHBondContact O-CE 3.41Å; H379-K388 WeakPolarHBondContact O-CG 3.47Å; H379-N426 WeakPolarHBondContact O-CB 2.97Å
380	W	93.2	Very high	96.6	Very high	159 Å²	159	25.5 Å²	25.5	60%	0.602	12%	0.122	S	C	*	.			trans	-79.4	-37.3	-169.3	71.5	-90.3	0	0	0	114.3	I378 K388	I378-W380 PolarHBondContact O-N 3.12Å; W380-K388 PolarHBondContact O-NZ 2.91Å
381	H	93.9	Very high	96.8	Very high	53 Å²	53	25.4 Å²	25.4	25%	0.245	12%	0.122	C	C	.	.			trans	-65	123.1	-163.3	-164.5	-72.6	0	0	0	112.9	H379 E383 F384 K388	H379-H381 WeakPolarHBondContact NE2-CB 3.27Å; H381-E383 VanDerWaalsContact C-N 3.3Å; H381-E383 IonicContact CE1-OE2 3.81Å; H381-E383 PolarHBondContact CE1-OE2 2.8Å; H381-E383 PolarHBondContact ND1-N 2.81Å; H381-E383 PolarHBondContact O-N 3.47Å; H381-F384 HydrophobicContact CB-CD2 3.68Å; H381-F384 HydrophobicContact CB-CE2 4.3Å; H381-F384 AromaticContact CG-CD2 3.67Å; H381-F384 AromaticContact CG-CE2 3.94Å; H381-F384 AromaticContact ND1-CD2 3.45Å; H381-F384 WeakPolarHBondContact ND1-CD2 3.1Å; H381-F384 AromaticContact ND1-CE2 3.71Å; H381-F384 PolarHBondContact O-N 3.33Å; H381-K388 WeakPolarHBondContact O-CE 3.25Å; H381-K388 PolarHBondContact O-NZ 3.2Å
382	P	92.4	Very high	96.9	Very high	96 Å²	96	25.4 Å²	25.4	62%	0.623	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-56.8	-37.4	-173.4	-28.3	35.4	0	0	0	114.6	F384	P382-F384 PolarHBondContact O-N 3.44Å; P382-F384 VanDerWaalsContact O-N 3.14Å
383	E	94.9	Very high	96.8	Very high	130 Å²	130	25.4 Å²	25.4	61%	0.607	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-68.4	-9.7	-179.9	-60.4	-176.8	161.7	0	0	114.5	H381 K450	H381-E383 VanDerWaalsContact C-N 3.3Å; H381-E383 IonicContact CE1-OE2 3.81Å; H381-E383 PolarHBondContact CE1-OE2 2.8Å; H381-E383 PolarHBondContact ND1-N 2.81Å; H381-E383 PolarHBondContact O-N 3.47Å; E383-K450 PolarHBondContact O-NZ 3.34Å
384	F	96.4	Very high	96.7	Very high	44 Å²	44	25.5 Å²	25.5	19%	0.193	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-104.4	38.7	-177.2	-69.6	-99.9	0	0	0	111.5	H381 P382 D386 V387 K388	H381-F384 HydrophobicContact CB-CD2 3.68Å; H381-F384 HydrophobicContact CB-CE2 4.3Å; H381-F384 AromaticContact CG-CD2 3.67Å; H381-F384 AromaticContact CG-CE2 3.94Å; H381-F384 AromaticContact ND1-CD2 3.45Å; H381-F384 WeakPolarHBondContact ND1-CD2 3.1Å; H381-F384 AromaticContact ND1-CE2 3.71Å; H381-F384 PolarHBondContact O-N 3.33Å; P382-F384 PolarHBondContact O-N 3.44Å; P382-F384 VanDerWaalsContact O-N 3.14Å; F384-D386 WeakPolarHBondContact CA-OD1 3.35Å; F384-D386 PolarHBondContact O-N 3.19Å; F384-D386 VanDerWaalsContact O-N 3.11Å; F384-V387 HydrophobicContact CB-CB 4.12Å; F384-V387 HydrophobicContact CB-CG2 4.1Å; F384-V387 HydrophobicContact CD1-CG2 3.86Å; F384-V387 HydrophobicContact CG-CG2 4.47Å; F384-V387 WeakPolarHBondContact O-CB 3.26Å; F384-V387 PolarHBondContact O-N 3.07Å; F384-K388 WeakPolarHBondContact O-CG 3.24Å; F384-K388 PolarHBondContact O-N 3.38Å
385	C	97.6	Very high	96.6	Very high	23 Å²	23	25.5 Å²	25.5	16%	0.155	12%	0.122	C	C	.	.	H	α-helix	trans	-55.2	-28.2	178.8	58.9	0	0	0	0	113.4	K388 L389 D448 K450	C385-K388 PolarHBondContact O-N 3.47Å; C385-L389 VanDerWaalsContact O-CB 3.3Å; C385-L389 WeakPolarHBondContact O-CB 3.47Å; C385-L389 PolarHBondContact O-N 3.19Å; C385-D448 CarbonylContact C-O 3.59Å; C385-D448 HydrophobicContact CB-CB 4.15Å; C385-D448 PolarHBondContact SG-OD1 3.06Å; C385-K450 VanDerWaalsContact SG-CE 3.54Å
386	D	96.9	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.2	-43.4	174.2	64	-47.9	0	0	0	112.4	R330 F384 K388 L389 V390 D448 F449 K450 F452	R330-D386 IonicContact CZ-OD1 3.91Å; R330-D386 IonicContact CZ-OD2 2.75Å; R330-D386 IonicContact NE-OD1 2.75Å; R330-D386 IonicContact NE-OD2 3.75Å; R330-D386 PolarHBondContact NE-OD2 3.49Å; R330-D386 IonicContact NH2-OD1 3.47Å; R330-D386 PolarHBondContact NH2-OD1 2.94Å; R330-D386 IonicContact NH2-OD2 3.6Å; R330-D386 PolarHBondContact NH2-OD2 3.46Å; F384-D386 WeakPolarHBondContact CA-OD1 3.35Å; F384-D386 PolarHBondContact O-N 3.19Å; F384-D386 VanDerWaalsContact O-N 3.11Å; D386-K388 VanDerWaalsContact C-N 3.34Å; D386-L389 PolarHBondContact O-N 2.79Å; D386-V390 WeakPolarHBondContact O-CB 3.03Å; D386-V390 VanDerWaalsContact O-CG2 3.26Å; D386-V390 WeakPolarHBondContact O-CG2 3.03Å; D386-V390 PolarHBondContact O-N 3.49Å; D386-D448 WeakPolarHBondContact CA-O 3.38Å; D386-D448 WeakPolarHBondContact CB-O 3.35Å; D386-D448 PolarHBondContact N-O 3.03Å; D386-D448 VanDerWaalsContact N-O 3.08Å; D386-F449 WeakPolarHBondContact CB-O 3.33Å; D386-K450 HydrophobicContact CB-CB 4.1Å; D386-K450 HydrophobicContact CB-CD 4.46Å; D386-K450 HydrophobicContact CB-CG 4.32Å; D386-F452 HydrophobicContact CB-CD2 4.08Å
387	V	97.2	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.1	178.2	0	0	0	0	110.3	R330 V331 R334 H379 F384 L389 V390 Q391	R330-V387 HydrophobicContact CB-CG2 3.72Å; R330-V387 VanDerWaalsContact O-CG2 3.31Å; R330-V387 WeakPolarHBondContact O-CG2 3.42Å; V331-V387 HydrophobicContact CG2-CG1 4.31Å; V331-V387 HydrophobicContact CG2-CG2 4.33Å; R334-V387 HydrophobicContact CG-CG1 4.15Å; H379-V387 HydrophobicContact CB-CG1 4.23Å; F384-V387 HydrophobicContact CB-CB 4.12Å; F384-V387 HydrophobicContact CB-CG2 4.1Å; F384-V387 HydrophobicContact CD1-CG2 3.86Å; F384-V387 HydrophobicContact CG-CG2 4.47Å; F384-V387 WeakPolarHBondContact O-CB 3.26Å; F384-V387 PolarHBondContact O-N 3.07Å; V387-L389 VanDerWaalsContact C-N 3.34Å; V387-L389 PolarHBondContact O-N 3.48Å; V387-V390 PolarHBondContact O-N 3.24Å; V387-Q391 HydrophobicContact CG1-CG 4.27Å; V387-Q391 WeakPolarHBondContact O-CB 3.46Å; V387-Q391 VanDerWaalsContact O-CG 3.28Å; V387-Q391 WeakPolarHBondContact O-CG 3.25Å; V387-Q391 PolarHBondContact O-N 3.48Å
388	K	98.1	Very high	96.4	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-44.9	178.2	-58.2	-178.2	-165.8	-166.8	0	111.4	I378 H379 W380 H381 F384 C385 D386 T392 N426 V433	I378-K388 HydrophobicContact CG2-CB 3.71Å; I378-K388 HydrophobicContact CG2-CG 3.9Å; H379-K388 HydrophobicContact CB-CG 4.46Å; H379-K388 WeakPolarHBondContact O-CD 3.42Å; H379-K388 WeakPolarHBondContact O-CE 3.41Å; H379-K388 WeakPolarHBondContact O-CG 3.47Å; W380-K388 PolarHBondContact O-NZ 2.91Å; H381-K388 WeakPolarHBondContact O-CE 3.25Å; H381-K388 PolarHBondContact O-NZ 3.2Å; F384-K388 WeakPolarHBondContact O-CG 3.24Å; F384-K388 PolarHBondContact O-N 3.38Å; C385-K388 PolarHBondContact O-N 3.47Å; D386-K388 VanDerWaalsContact C-N 3.34Å; K388-T392 WeakPolarHBondContact O-CB 3.27Å; K388-T392 PolarHBondContact O-N 3.24Å; K388-T392 PolarHBondContact O-OG1 3.45Å; K388-N426 HydrophobicContact CD-CB 4.34Å; K388-N426 WeakPolarHBondContact CD-O 3.17Å; K388-N426 PolarHBondContact NZ-O 3.43Å; K388-V433 HydrophobicContact CB-CG2 3.99Å
389	L	98	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-45.5	178.2	-178.7	52.2	0	0	0	112	C385 D386 V387 T392 M393 G432 V433 F436 I442 D448 F449	C385-L389 VanDerWaalsContact O-CB 3.3Å; C385-L389 WeakPolarHBondContact O-CB 3.47Å; C385-L389 PolarHBondContact O-N 3.19Å; D386-L389 PolarHBondContact O-N 2.79Å; V387-L389 VanDerWaalsContact C-N 3.34Å; V387-L389 PolarHBondContact O-N 3.48Å; L389-T392 WeakPolarHBondContact O-CB 3.45Å; L389-T392 PolarHBondContact O-N 2.86Å; L389-M393 WeakPolarHBondContact O-CG 3.47Å; L389-M393 PolarHBondContact O-N 3.29Å; L389-G432 WeakPolarHBondContact CD1-O 3.29Å; L389-V433 HydrophobicContact CB-CG2 4.18Å; L389-V433 HydrophobicContact CD1-CG2 4.42Å; L389-F436 HydrophobicContact CD1-CB 4.19Å; L389-I442 HydrophobicContact CD1-CD1 4.05Å; L389-I442 HydrophobicContact CD2-CD1 3.81Å; L389-D448 HydrophobicContact CD2-CB 3.98Å; L389-F449 HydrophobicContact CD2-CD1 3.64Å; L389-F449 HydrophobicContact CD2-CD2 4.05Å; L389-F449 HydrophobicContact CD2-CE1 3.43Å; L389-F449 VanDerWaalsContact CD2-CE1 3.43Å; L389-F449 HydrophobicContact CD2-CE2 3.85Å; L389-F449 HydrophobicContact CD2-CG 3.93Å; L389-F449 HydrophobicContact CD2-CZ 3.53Å; L389-F449 HydrophobicContact CG-CD1 4.12Å; L389-F449 HydrophobicContact CG-CE1 3.58Å; L389-F449 HydrophobicContact CG-CZ 3.88Å
390	V	96.5	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-42.4	177.4	174.3	0	0	0	0	111.5	M327 V331 D386 V387 T392 M393 M394 F452 L458 M461	M327-V390 HydrophobicContact CE-CG1 3.86Å; M327-V390 HydrophobicContact SD-CG1 3.93Å; V331-V390 HydrophobicContact CG1-CG1 4.38Å; V331-V390 HydrophobicContact CG2-CB 4.17Å; V331-V390 HydrophobicContact CG2-CG1 3.93Å; D386-V390 WeakPolarHBondContact O-CB 3.03Å; D386-V390 VanDerWaalsContact O-CG2 3.26Å; D386-V390 WeakPolarHBondContact O-CG2 3.03Å; D386-V390 PolarHBondContact O-N 3.49Å; V387-V390 PolarHBondContact O-N 3.24Å; V390-T392 VanDerWaalsContact C-N 3.29Å; V390-T392 PolarHBondContact O-N 3.21Å; V390-M393 PolarHBondContact O-N 3.4Å; V390-M394 HydrophobicContact CG1-CE 3.87Å; V390-M394 WeakPolarHBondContact O-CG 3.2Å; V390-M394 PolarHBondContact O-N 2.83Å; V390-F452 HydrophobicContact CG2-CB 4.49Å; V390-F452 HydrophobicContact CG2-CD1 4.1Å; V390-F452 HydrophobicContact CG2-CD2 4.04Å; V390-F452 HydrophobicContact CG2-CE1 4.25Å; V390-F452 HydrophobicContact CG2-CE2 4.19Å; V390-F452 HydrophobicContact CG2-CG 3.97Å; V390-F452 HydrophobicContact CG2-CZ 4.28Å; V390-L458 HydrophobicContact CG1-CD2 4.15Å; V390-L458 HydrophobicContact CG2-CD1 4.39Å; V390-L458 HydrophobicContact CG2-CD2 3.91Å; V390-M461 HydrophobicContact CG1-CE 4.05Å; V390-M461 WeakPolarHBondContact O-CE 3.43Å
391	Q	97.3	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-40.9	173	-74.9	-177.9	-25.8	0	0	111.6	F313 V331 N336 I378 V387 M394 L395	F313-Q391 HydrophobicContact CB-CG 4.04Å; F313-Q391 HydrophobicContact CD1-CB 4.12Å; F313-Q391 HydrophobicContact CD1-CG 4.27Å; F313-Q391 HydrophobicContact CD2-CB 4.36Å; F313-Q391 HydrophobicContact CD2-CG 4.11Å; F313-Q391 HydrophobicContact CE1-CB 4.3Å; F313-Q391 VanDerWaalsContact CE1-O 3.24Å; F313-Q391 WeakPolarHBondContact CE1-O 3.47Å; F313-Q391 HydrophobicContact CG-CB 4.16Å; F313-Q391 HydrophobicContact CG-CG 3.87Å; V331-Q391 HydrophobicContact CG1-CG 4.24Å; N336-Q391 PolarHBondContact OD1-NE2 2.95Å; I378-Q391 HydrophobicContact CD1-CB 3.92Å; I378-Q391 HydrophobicContact CG2-CB 4.47Å; V387-Q391 HydrophobicContact CG1-CG 4.27Å; V387-Q391 WeakPolarHBondContact O-CB 3.46Å; V387-Q391 VanDerWaalsContact O-CG 3.28Å; V387-Q391 WeakPolarHBondContact O-CG 3.25Å; V387-Q391 PolarHBondContact O-N 3.48Å; Q391-M394 PolarHBondContact O-N 3.04Å; Q391-L395 WeakPolarHBondContact O-CB 3.36Å; Q391-L395 PolarHBondContact O-N 3.49Å
392	T	98	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-40.8	176.4	-57.7	0	0	0	0	111.7	K388 L389 V390 L395 V396 V433 F436 L437	K388-T392 WeakPolarHBondContact O-CB 3.27Å; K388-T392 PolarHBondContact O-N 3.24Å; K388-T392 PolarHBondContact O-OG1 3.45Å; L389-T392 WeakPolarHBondContact O-CB 3.45Å; L389-T392 PolarHBondContact O-N 2.86Å; V390-T392 VanDerWaalsContact C-N 3.29Å; V390-T392 PolarHBondContact O-N 3.21Å; T392-L395 WeakPolarHBondContact O-CB 3.46Å; T392-L395 PolarHBondContact O-N 3.44Å; T392-V396 HydrophobicContact CG2-CG2 4.47Å; T392-V396 VanDerWaalsContact O-CG2 3.32Å; T392-V396 WeakPolarHBondContact O-CG2 3.47Å; T392-V396 PolarHBondContact O-N 3.28Å; T392-V433 HydrophobicContact CG2-CG1 4.09Å; T392-F436 HydrophobicContact CG2-CD1 4.39Å; T392-L437 HydrophobicContact CG2-CD1 3.87Å; T392-L437 HydrophobicContact CG2-CD2 3.8Å; T392-L437 HydrophobicContact CG2-CG 3.72Å
393	M	96.7	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-44.2	175.1	-69.8	175.9	66.8	0	0	111.9	L389 V390 L395 V396 Q397 F436 F449 L458 M461 Y471	L389-M393 WeakPolarHBondContact O-CG 3.47Å; L389-M393 PolarHBondContact O-N 3.29Å; V390-M393 PolarHBondContact O-N 3.4Å; M393-L395 VanDerWaalsContact C-N 3.33Å; M393-L395 PolarHBondContact O-N 2.84Å; M393-V396 PolarHBondContact O-N 3.01Å; M393-Q397 WeakPolarHBondContact O-CB 3.4Å; M393-Q397 PolarHBondContact O-N 3.14Å; M393-F436 HydrophobicContact CB-CE1 4.19Å; M393-F436 HydrophobicContact CB-CZ 4.49Å; M393-F436 HydrophobicContact CG-CD1 3.99Å; M393-F436 HydrophobicContact CG-CE1 3.63Å; M393-F436 HydrophobicContact CG-CE2 4.42Å; M393-F436 HydrophobicContact CG-CZ 3.85Å; M393-F449 HydrophobicContact SD-CE1 3.55Å; M393-F449 VanDerWaalsContact SD-CE1 3.55Å; M393-F449 HydrophobicContact SD-CZ 3.62Å; M393-L458 HydrophobicContact CE-CB 4.29Å; M393-M461 HydrophobicContact CB-CE 3.5Å; M393-M461 VanDerWaalsContact CB-CE 3.5Å; M393-M461 HydrophobicContact CE-CB 4.21Å; M393-Y471 HydrophobicContact CE-CD1 4.37Å; M393-Y471 HydrophobicContact CE-CD2 3.79Å; M393-Y471 HydrophobicContact CE-CG 3.68Å; M393-Y471 HydrophobicContact SD-CD2 4.38Å
394	M	95.8	Very high	97.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-44.6	174.7	-69.4	-179.7	175.4	0	0	111.5	F313 L316 A317 M327 V331 V390 Q391 V396 Q397 E398 M461	F313-M394 HydrophobicContact CD1-CB 4.09Å; F313-M394 HydrophobicContact CE1-CB 4.5Å; L316-M394 HydrophobicContact CB-CB 4.42Å; L316-M394 HydrophobicContact CB-CG 4.25Å; L316-M394 HydrophobicContact CB-SD 3.71Å; L316-M394 HydrophobicContact CD1-CB 3.82Å; A317-M394 HydrophobicContact CB-CE 3.92Å; A317-M394 HydrophobicContact CB-SD 4.45Å; M327-M394 HydrophobicContact CE-CE 3.55Å; M327-M394 HydrophobicContact SD-CE 3.39Å; M327-M394 WeakPolarHBondContact SD-CE 3.22Å; V331-M394 HydrophobicContact CG1-CE 4.35Å; V331-M394 HydrophobicContact CG1-SD 4.37Å; V390-M394 HydrophobicContact CG1-CE 3.87Å; V390-M394 WeakPolarHBondContact O-CG 3.2Å; V390-M394 PolarHBondContact O-N 2.83Å; Q391-M394 PolarHBondContact O-N 3.04Å; M394-V396 PolarHBondContact O-N 2.89Å; M394-Q397 PolarHBondContact O-N 3.4Å; M394-E398 PolarHBondContact O-N 2.85Å; M394-M461 HydrophobicContact CB-CE 4.09Å; M394-M461 HydrophobicContact CE-CE 4.04Å; M394-M461 HydrophobicContact CE-SD 3.99Å; M394-M461 HydrophobicContact CG-CE 3.19Å; M394-M461 HydrophobicContact CG-SD 4.12Å; M394-M461 HydrophobicContact SD-CE 4.49Å
395	L	97.8	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.2	-51.9	179.6	-179	55.9	0	0	0	111.4	I311 F313 A338 A376 Q391 T392 M393 Q397 E398 L399 L421	I311-L395 HydrophobicContact CD1-CD1 3.67Å; I311-L395 HydrophobicContact CG2-CD1 4.45Å; F313-L395 HydrophobicContact CE1-CB 3.84Å; F313-L395 HydrophobicContact CE1-CD1 4.4Å; F313-L395 HydrophobicContact CZ-CB 4.22Å; F313-L395 HydrophobicContact CZ-CD1 4.33Å; A338-L395 HydrophobicContact CB-CD1 3.44Å; A338-L395 VanDerWaalsContact CB-CD1 3.44Å; A376-L395 HydrophobicContact CB-CD2 3.65Å; Q391-L395 WeakPolarHBondContact O-CB 3.36Å; Q391-L395 PolarHBondContact O-N 3.49Å; T392-L395 WeakPolarHBondContact O-CB 3.46Å; T392-L395 PolarHBondContact O-N 3.44Å; M393-L395 VanDerWaalsContact C-N 3.33Å; M393-L395 PolarHBondContact O-N 2.84Å; L395-Q397 VanDerWaalsContact C-N 3.34Å; L395-E398 PolarHBondContact O-N 2.88Å; L395-L399 HydrophobicContact CD1-CD1 4.29Å; L395-L399 HydrophobicContact CD1-CG 4.43Å; L395-L399 HydrophobicContact CG-CD1 4.19Å; L395-L399 WeakPolarHBondContact O-CB 3.27Å; L395-L399 VanDerWaalsContact O-CG 3.31Å; L395-L399 WeakPolarHBondContact O-CG 3.46Å; L395-L399 PolarHBondContact O-N 3.06Å; L395-L421 HydrophobicContact CD2-CD1 3.74Å; L395-L421 HydrophobicContact CD2-CD2 4.36Å; L395-L421 HydrophobicContact CG-CD1 4.5Å
396	V	97.8	Very high	96.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-69.5	-35.1	-175.2	174.6	0	0	0	0	111.4	T392 M393 M394 L399 D400 F436 L437 H473 L475	T392-V396 HydrophobicContact CG2-CG2 4.47Å; T392-V396 VanDerWaalsContact O-CG2 3.32Å; T392-V396 WeakPolarHBondContact O-CG2 3.47Å; T392-V396 PolarHBondContact O-N 3.28Å; M393-V396 PolarHBondContact O-N 3.01Å; M394-V396 PolarHBondContact O-N 2.89Å; V396-L399 PolarHBondContact O-N 3.22Å; V396-D400 VanDerWaalsContact O-CB 3.3Å; V396-D400 WeakPolarHBondContact O-CB 3.16Å; V396-D400 PolarHBondContact O-N 2.98Å; V396-F436 HydrophobicContact CB-CE1 4.38Å; V396-L437 HydrophobicContact CG2-CD2 3.37Å; V396-H473 HydrophobicContact CG1-CB 3.4Å; V396-L475 HydrophobicContact CG1-CD1 3.99Å; V396-L475 HydrophobicContact CG1-CG 4.32Å
397	Q	95.6	Very high	96.8	Very high	31 Å²	31	18.3 Å²	18.3	15%	0.145	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-49.8	173.9	174.3	174	29.9	0	0	111.9	M393 M394 L395 L399 D400 H401 R460 M461	M393-Q397 WeakPolarHBondContact O-CB 3.4Å; M393-Q397 PolarHBondContact O-N 3.14Å; M394-Q397 PolarHBondContact O-N 3.4Å; L395-Q397 VanDerWaalsContact C-N 3.34Å; Q397-L399 VanDerWaalsContact C-N 3.31Å; Q397-L399 PolarHBondContact O-N 2.87Å; Q397-D400 WeakPolarHBondContact O-CB 3.48Å; Q397-D400 PolarHBondContact O-N 3Å; Q397-D400 VanDerWaalsContact O-N 3.1Å; Q397-H401 PolarHBondContact O-N 3.41Å; Q397-R460 PolarHBondContact NE2-O 2.94Å; Q397-M461 VanDerWaalsContact OE1-CA 3.26Å
398	E	96.1	Very high	96.6	Very high	52 Å²	52	25.8 Å²	25.8	24%	0.243	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-38.3	179	-71.2	-53.4	122	0	0	111.6	I311 L316 M394 L395 D400 H401 L402	I311-E398 HydrophobicContact CD1-CB 3.81Å; I311-E398 HydrophobicContact CG1-CB 4.19Å; L316-E398 HydrophobicContact CD1-CG 3.48Å; L316-E398 VanDerWaalsContact CD1-CG 3.48Å; L316-E398 HydrophobicContact CD2-CG 3.76Å; L316-E398 HydrophobicContact CG-CG 4.27Å; M394-E398 PolarHBondContact O-N 2.85Å; L395-E398 PolarHBondContact O-N 2.88Å; E398-D400 VanDerWaalsContact C-N 3.29Å; E398-D400 PolarHBondContact O-N 3.11Å; E398-H401 PolarHBondContact O-N 2.91Å; E398-H401 IonicContact OE1-ND1 3.54Å; E398-L402 VanDerWaalsContact O-CG 3.32Å; E398-L402 WeakPolarHBondContact O-CG 3.45Å; E398-L402 PolarHBondContact O-N 3.43Å
399	L	98	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-38.6	172	-73.1	176.3	0	0	0	112.2	V340 V372 C374 L395 V396 Q397 L402 V403 L421 L475	V340-L399 HydrophobicContact CB-CD2 4.5Å; V340-L399 HydrophobicContact CG1-CD2 3.99Å; V340-L399 HydrophobicContact CG2-CD2 3.63Å; V372-L399 HydrophobicContact CG1-CD2 4.36Å; C374-L399 HydrophobicContact CB-CD1 3.91Å; C374-L399 HydrophobicContact CB-CD2 3.77Å; C374-L399 HydrophobicContact CB-CG 4.46Å; L395-L399 HydrophobicContact CD1-CD1 4.29Å; L395-L399 HydrophobicContact CD1-CG 4.43Å; L395-L399 HydrophobicContact CG-CD1 4.19Å; L395-L399 WeakPolarHBondContact O-CB 3.27Å; L395-L399 VanDerWaalsContact O-CG 3.31Å; L395-L399 WeakPolarHBondContact O-CG 3.46Å; L395-L399 PolarHBondContact O-N 3.06Å; V396-L399 PolarHBondContact O-N 3.22Å; Q397-L399 VanDerWaalsContact C-N 3.31Å; Q397-L399 PolarHBondContact O-N 2.87Å; L399-L402 PolarHBondContact O-N 3.31Å; L399-V403 WeakPolarHBondContact O-CB 3.38Å; L399-V403 WeakPolarHBondContact O-CG2 3.4Å; L399-V403 PolarHBondContact O-N 3.15Å; L399-L421 HydrophobicContact CD1-CD1 4.4Å; L399-L475 HydrophobicContact CB-CD1 3.61Å; L399-L475 HydrophobicContact CD1-CD1 4.38Å
400	D	96.7	Very high	95.6	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.07	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-39.4	177.7	-160.9	19.8	0	0	0	111.9	V396 Q397 E398 V403 D404 R474 L475	V396-D400 VanDerWaalsContact O-CB 3.3Å; V396-D400 WeakPolarHBondContact O-CB 3.16Å; V396-D400 PolarHBondContact O-N 2.98Å; Q397-D400 WeakPolarHBondContact O-CB 3.48Å; Q397-D400 PolarHBondContact O-N 3Å; Q397-D400 VanDerWaalsContact O-N 3.1Å; E398-D400 VanDerWaalsContact C-N 3.29Å; E398-D400 PolarHBondContact O-N 3.11Å; D400-V403 PolarHBondContact O-N 2.85Å; D400-D404 PolarHBondContact O-N 2.97Å; D400-D404 VanDerWaalsContact O-N 3.13Å; D400-R474 VanDerWaalsContact CG-NE 3.26Å; D400-R474 IonicContact OD1-CZ 2.73Å; D400-R474 VanDerWaalsContact OD1-CZ 3.3Å; D400-R474 IonicContact OD1-NE 3.19Å; D400-R474 PolarHBondContact OD1-NE 2.83Å; D400-R474 IonicContact OD1-NH2 3.73Å; D400-R474 PolarHBondContact OD1-NH2 3.26Å; D400-R474 IonicContact OD2-CZ 2.99Å; D400-R474 IonicContact OD2-NE 3.22Å; D400-R474 PolarHBondContact OD2-NE 3.23Å; D400-R474 IonicContact OD2-NH2 2.65Å; D400-R474 PolarHBondContact OD2-NH2 3.33Å; D400-L475 HydrophobicContact CB-CD2 4.32Å; D400-L475 HydrophobicContact CB-CG 4.35Å
401	H	95.8	Very high	95.1	Very high	92 Å²	92	35.9 Å²	35.9	43%	0.426	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-44.2	173.1	-64	163.1	0	0	0	112.3	Q397 E398 V403 D404 E405	Q397-H401 PolarHBondContact O-N 3.41Å; E398-H401 PolarHBondContact O-N 2.91Å; E398-H401 IonicContact OE1-ND1 3.54Å; H401-V403 VanDerWaalsContact C-N 3.29Å; H401-V403 PolarHBondContact O-N 3.45Å; H401-D404 PolarHBondContact O-N 2.92Å; H401-E405 PolarHBondContact O-N 3.13Å; H401-E405 VanDerWaalsContact O-N 3.12Å
402	L	97.3	Very high	94.6	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-38.6	176.3	-70.9	173.5	0	0	0	111.5	H309 V340 E398 L399 D404 E405 I406	H309-L402 HydrophobicContact CB-CD1 3.9Å; H309-L402 HydrophobicContact CB-CD2 4.42Å; H309-L402 WeakPolarHBondContact ND1-CD2 3.47Å; V340-L402 HydrophobicContact CB-CD1 4.44Å; V340-L402 HydrophobicContact CG1-CD1 4.28Å; V340-L402 HydrophobicContact CG2-CD1 4.25Å; E398-L402 VanDerWaalsContact O-CG 3.32Å; E398-L402 WeakPolarHBondContact O-CG 3.45Å; E398-L402 PolarHBondContact O-N 3.43Å; L399-L402 PolarHBondContact O-N 3.31Å; L402-D404 VanDerWaalsContact C-N 3.35Å; L402-D404 PolarHBondContact O-N 2.96Å; L402-E405 PolarHBondContact O-N 3.23Å; L402-I406 WeakPolarHBondContact O-CB 3.23Å; L402-I406 WeakPolarHBondContact O-CD1 3.39Å; L402-I406 WeakPolarHBondContact O-CG1 3.33Å; L402-I406 PolarHBondContact O-N 2.57Å
403	V	97.7	Very high	94.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-40.8	175.9	164.1	0	0	0	0	111.5	V372 L399 D400 H401 I406 A407 P414 V417 V419 L475	V372-V403 HydrophobicContact CG2-CG2 4.47Å; L399-V403 WeakPolarHBondContact O-CB 3.38Å; L399-V403 WeakPolarHBondContact O-CG2 3.4Å; L399-V403 PolarHBondContact O-N 3.15Å; D400-V403 PolarHBondContact O-N 2.85Å; H401-V403 VanDerWaalsContact C-N 3.29Å; H401-V403 PolarHBondContact O-N 3.45Å; V403-I406 PolarHBondContact O-N 2.63Å; V403-A407 WeakPolarHBondContact O-CB 3.32Å; V403-A407 PolarHBondContact O-N 3.17Å; V403-P414 HydrophobicContact CG1-CB 4.01Å; V403-P414 WeakPolarHBondContact CG1-O 3.42Å; V403-V417 HydrophobicContact CG1-CB 3.97Å; V403-V417 HydrophobicContact CG1-CG1 4.39Å; V403-V417 HydrophobicContact CG1-CG2 4.24Å; V403-V417 HydrophobicContact CG2-CG1 4.38Å; V403-V419 HydrophobicContact CG2-CG2 3.51Å; V403-L475 HydrophobicContact CB-CD2 4.34Å; V403-L475 HydrophobicContact CG2-CD2 4Å
404	D	97	Very high	94	Very high	54 Å²	54	43.5 Å²	43.5	29%	0.289	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-43.9	174.7	-80.2	-16.2	0	0	0	111.8	D400 H401 L402 A407 H408 P414 R474	D400-D404 PolarHBondContact O-N 2.97Å; D400-D404 VanDerWaalsContact O-N 3.13Å; H401-D404 PolarHBondContact O-N 2.92Å; L402-D404 VanDerWaalsContact C-N 3.35Å; L402-D404 PolarHBondContact O-N 2.96Å; D404-A407 PolarHBondContact O-N 3.07Å; D404-H408 WeakPolarHBondContact O-CB 3.46Å; D404-H408 PolarHBondContact O-N 2.94Å; D404-P414 WeakPolarHBondContact OD1-CB 3.22Å; D404-P414 WeakPolarHBondContact OD1-CG 3.47Å; D404-R474 IonicContact OD1-CZ 2.69Å; D404-R474 IonicContact OD1-NH1 3.7Å; D404-R474 IonicContact OD1-NH2 3.36Å; D404-R474 PolarHBondContact OD1-NH2 2.91Å; D404-R474 IonicContact OD2-CZ 2.65Å; D404-R474 IonicContact OD2-NH1 3.57Å; D404-R474 PolarHBondContact OD2-NH1 3.09Å; D404-R474 IonicContact OD2-NH2 3.54Å; D404-R474 PolarHBondContact OD2-NH2 3.36Å
405	E	96.9	Very high	93.8	Very high	101 Å²	101	45.8 Å²	45.8	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-47.2	177.3	-177	178.9	175.9	0	0	111.9	H401 L402 A407 H408 N409	H401-E405 PolarHBondContact O-N 3.13Å; H401-E405 VanDerWaalsContact O-N 3.12Å; L402-E405 PolarHBondContact O-N 3.23Å; E405-A407 VanDerWaalsContact C-N 3.34Å; E405-A407 PolarHBondContact O-N 3.2Å; E405-H408 WeakPolarHBondContact O-CB 3.41Å; E405-H408 PolarHBondContact O-N 2.89Å; E405-N409 WeakPolarHBondContact O-CB 3.24Å; E405-N409 VanDerWaalsContact O-CG 3.26Å; E405-N409 PolarHBondContact O-N 3.41Å; E405-N409 PolarHBondContact O-ND2 3.48Å
406	I	94.4	Very high	93.4	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-42.2	179.8	-68.2	165.2	0	0	0	110.5	V342 P370 V372 L402 V403 N409 H410 V417	V342-I406 HydrophobicContact CB-CD1 4.44Å; V342-I406 HydrophobicContact CG1-CD1 4Å; V342-I406 HydrophobicContact CG1-CG1 4.46Å; V342-I406 HydrophobicContact CG2-CD1 3.52Å; V342-I406 HydrophobicContact CG2-CG1 4.39Å; P370-I406 HydrophobicContact CB-CG2 3.8Å; P370-I406 HydrophobicContact CG-CG2 3.9Å; V372-I406 HydrophobicContact CG2-CD1 3.47Å; V372-I406 VanDerWaalsContact CG2-CD1 3.47Å; L402-I406 WeakPolarHBondContact O-CB 3.23Å; L402-I406 WeakPolarHBondContact O-CD1 3.39Å; L402-I406 WeakPolarHBondContact O-CG1 3.33Å; L402-I406 PolarHBondContact O-N 2.57Å; V403-I406 PolarHBondContact O-N 2.63Å; I406-N409 PolarHBondContact O-N 2.86Å; I406-H410 PolarHBondContact O-N 2.92Å; I406-H410 PolarHBondContact O-ND1 3.06Å; I406-V417 HydrophobicContact CG2-CG1 4.14Å
407	A	93.2	Very high	93.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-47.2	176.2	0	0	0	0	0	111	V403 D404 E405 N409 H410 G411 M412 P414 V417	V403-A407 WeakPolarHBondContact O-CB 3.32Å; V403-A407 PolarHBondContact O-N 3.17Å; D404-A407 PolarHBondContact O-N 3.07Å; E405-A407 VanDerWaalsContact C-N 3.34Å; E405-A407 PolarHBondContact O-N 3.2Å; A407-N409 PolarHBondContact O-N 2.92Å; A407-H410 PolarHBondContact O-N 3.45Å; A407-G411 PolarHBondContact O-N 3.4Å; A407-M412 HydrophobicContact CB-CB 4.48Å; A407-M412 WeakPolarHBondContact CB-O 3.31Å; A407-M412 PolarHBondContact O-N 3.18Å; A407-P414 HydrophobicContact CB-CB 4.3Å; A407-P414 HydrophobicContact CB-CG 3.87Å; A407-V417 HydrophobicContact CB-CG2 3.72Å
408	H	93.2	Very high	93.2	Very high	157 Å²	157	45.9 Å²	45.9	73%	0.727	26%	0.257	S	S	*	.	H	α-helix	trans	-57.8	-48	176	-175.2	74.4	0	0	0	111.8	D404 E405 H410 G411	D404-H408 WeakPolarHBondContact O-CB 3.46Å; D404-H408 PolarHBondContact O-N 2.94Å; E405-H408 WeakPolarHBondContact O-CB 3.41Å; E405-H408 PolarHBondContact O-N 2.89Å; H408-H410 VanDerWaalsContact C-N 3.26Å; H408-H410 PolarHBondContact O-N 3.42Å; H408-G411 PolarHBondContact O-N 3.48Å
409	N	91.1	Very high	93.3	Very high	106 Å²	106	43.4 Å²	43.4	57%	0.567	25%	0.246	S	C	*	.	H	α-helix	trans	-65.7	-25.5	-178.3	-71.2	-22.4	0	0	0	113.7	E405 I406 A407	E405-N409 WeakPolarHBondContact O-CB 3.24Å; E405-N409 VanDerWaalsContact O-CG 3.26Å; E405-N409 PolarHBondContact O-N 3.41Å; E405-N409 PolarHBondContact O-ND2 3.48Å; I406-N409 PolarHBondContact O-N 2.86Å; A407-N409 PolarHBondContact O-N 2.92Å
410	H	85.1	Confident	93.4	Very high	53 Å²	53	43.4 Å²	43.4	25%	0.245	25%	0.246	C	C	.	.	H	α-helix	trans	-103	-0.8	179.7	-65.9	78.6	0	0	0	113.6	P370 I406 A407 H408 M412	P370-H410 HydrophobicContact CG-CB 4.44Å; I406-H410 PolarHBondContact O-N 2.92Å; I406-H410 PolarHBondContact O-ND1 3.06Å; A407-H410 PolarHBondContact O-N 3.45Å; H408-H410 VanDerWaalsContact C-N 3.26Å; H408-H410 PolarHBondContact O-N 3.42Å; H410-M412 HydrophobicContact CB-CG 3.78Å; H410-M412 HydrophobicContact CB-SD 3.87Å; H410-M412 PolarHBondContact O-N 2.93Å
411	G	85	Confident	93.5	Very high	63 Å²	63	42.9 Å²	42.9	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	29.5	-174.4	0	0	0	0	0	113.2	A407 H408	A407-G411 PolarHBondContact O-N 3.4Å; H408-G411 PolarHBondContact O-N 3.48Å
412	M	86.5	Confident	93.6	Very high	25 Å²	25	38.6 Å²	38.6	12%	0.123	22%	0.223	C	C	.	.			trans	-100.5	163.2	179.4	-58.4	179.4	69.9	0	0	110.6	P370 A407 H410 D416 V417 V553	P370-M412 HydrophobicContact CG-SD 3.68Å; A407-M412 HydrophobicContact CB-CB 4.48Å; A407-M412 WeakPolarHBondContact CB-O 3.31Å; A407-M412 PolarHBondContact O-N 3.18Å; H410-M412 HydrophobicContact CB-CG 3.78Å; H410-M412 HydrophobicContact CB-SD 3.87Å; H410-M412 PolarHBondContact O-N 2.93Å; M412-D416 HydrophobicContact CE-CB 4.25Å; M412-D416 VanDerWaalsContact CE-O 3.24Å; M412-D416 WeakPolarHBondContact CE-O 3.44Å; M412-V417 HydrophobicContact CB-CG2 4.47Å; M412-V553 HydrophobicContact CE-CG1 4.37Å
413	V	89.5	Confident	93.6	Very high	86 Å²	86	37.8 Å²	37.8	52%	0.521	22%	0.219	S	C	.	.			trans	-82.6	139.4	164.7	-177.5	0	0	0	0	108	A415 D416	V413-A415 HydrophobicContact CG1-CB 4.33Å; V413-A415 PolarHBondContact O-N 3.15Å; V413-A415 VanDerWaalsContact O-N 3.1Å; V413-D416 WeakPolarHBondContact O-CB 3.38Å; V413-D416 PolarHBondContact O-N 2.95Å
414	P	93.2	Very high	93.6	Very high	48 Å²	48	37.8 Å²	37.8	31%	0.312	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-49.9	-38.2	178.3	-31.6	36.6	0	0	0	114.2	V403 D404 A407 D416 V417	V403-P414 HydrophobicContact CG1-CB 4.01Å; V403-P414 WeakPolarHBondContact CG1-O 3.42Å; D404-P414 WeakPolarHBondContact OD1-CB 3.22Å; D404-P414 WeakPolarHBondContact OD1-CG 3.47Å; A407-P414 HydrophobicContact CB-CB 4.3Å; A407-P414 HydrophobicContact CB-CG 3.87Å; P414-D416 PolarHBondContact O-N 3.18Å; P414-V417 PolarHBondContact O-N 3.05Å
415	A	91.1	Very high	93.7	Very high	50 Å²	50	35.3 Å²	35.3	41%	0.413	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-67.6	-11.6	178.1	0	0	0	0	0	114.9	V413	V413-A415 HydrophobicContact CG1-CB 4.33Å; V413-A415 PolarHBondContact O-N 3.15Å; V413-A415 VanDerWaalsContact O-N 3.1Å
416	D	90.1	Very high	93.7	Very high	31 Å²	31	31.6 Å²	31.6	17%	0.166	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-104.2	-2.2	178.1	-63.8	-28.9	0	0	0	112.7	M412 V413 P414 P418 T508 Q556	M412-D416 HydrophobicContact CE-CB 4.25Å; M412-D416 VanDerWaalsContact CE-O 3.24Å; M412-D416 WeakPolarHBondContact CE-O 3.44Å; V413-D416 WeakPolarHBondContact O-CB 3.38Å; V413-D416 PolarHBondContact O-N 2.95Å; P414-D416 PolarHBondContact O-N 3.18Å; D416-P418 WeakPolarHBondContact O-CD 3.35Å; D416-T508 WeakPolarHBondContact O-CG2 3.28Å; D416-Q556 VanDerWaalsContact CB-NE2 3.33Å; D416-Q556 PolarHBondContact OD2-NE2 3.33Å
417	V	94.2	Very high	93.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	19%	0.19	C	C	.	.	S	Bend	trans	-76.8	119.8	172.6	179.7	0	0	0	0	108.5	V372 V403 I406 A407 M412 P414 V419	V372-V417 HydrophobicContact CG2-CG1 3.8Å; V403-V417 HydrophobicContact CG1-CB 3.97Å; V403-V417 HydrophobicContact CG1-CG1 4.39Å; V403-V417 HydrophobicContact CG1-CG2 4.24Å; V403-V417 HydrophobicContact CG2-CG1 4.38Å; I406-V417 HydrophobicContact CG2-CG1 4.14Å; A407-V417 HydrophobicContact CB-CG2 3.72Å; M412-V417 HydrophobicContact CB-CG2 4.47Å; P414-V417 PolarHBondContact O-N 3.05Å; V417-V419 PolarHBondContact O-N 3.14Å
418	P	95.6	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.			trans	-73.5	127.4	178	26.8	-28.8	0	0	0	111	V369 P370 L371 V372 D416 T508 L509 F549 V553	V369-P418 HydrophobicContact CG1-CG 4.22Å; P370-P418 WeakPolarHBondContact O-CD 3.46Å; P370-P418 WeakPolarHBondContact O-CG 3.4Å; L371-P418 HydrophobicContact CD1-CB 3.96Å; L371-P418 HydrophobicContact CD1-CG 4.19Å; V372-P418 PolarHBondContact N-O 3.25Å; D416-P418 WeakPolarHBondContact O-CD 3.35Å; P418-T508 WeakPolarHBondContact CA-OG1 3.39Å; P418-L509 HydrophobicContact CB-CD1 4.03Å; P418-L509 HydrophobicContact CB-CD2 3.95Å; P418-L509 HydrophobicContact CB-CG 3.8Å; P418-F549 HydrophobicContact CB-CE1 4.25Å; P418-F549 HydrophobicContact CG-CD1 4.27Å; P418-F549 HydrophobicContact CG-CE1 3.83Å; P418-V553 HydrophobicContact CG-CG1 4.45Å
419	V	98.6	Very high	94.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.9	-179.7	-175.8	0	0	0	0	109.5	V372 V403 V417 L475 A504 T505	V372-V419 HydrophobicContact CB-CG1 4.45Å; V372-V419 HydrophobicContact CB-CG2 4.22Å; V372-V419 HydrophobicContact CG1-CG1 4.46Å; V372-V419 CarbonylContact O-C 3.59Å; V372-V419 WeakPolarHBondContact O-CA 3.31Å; V403-V419 HydrophobicContact CG2-CG2 3.51Å; V417-V419 PolarHBondContact O-N 3.14Å; V419-L475 HydrophobicContact CG2-CD2 4.5Å; V419-A504 VanDerWaalsContact O-CA 3.3Å; V419-A504 WeakPolarHBondContact O-CA 3.34Å; V419-T505 HydrophobicContact CB-CG2 3.96Å; V419-T505 HydrophobicContact CG2-CG2 4.3Å; V419-T505 PolarHBondContact N-OG1 2.99Å; V419-T505 PolarHBondContact O-N 3.35Å; V419-T505 VanDerWaalsContact O-N 3.11Å; V419-T505 PolarHBondContact O-OG1 2.93Å
420	I	98.8	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126	169.3	-61.5	-177.7	0	0	0	108.4	F183 V185 L371 V372 V373 C374 C422 V502 F503 A504 L509 Y547	F183-I420 HydrophobicContact CE2-CD1 3.84Å; F183-I420 HydrophobicContact CZ-CD1 3.87Å; V185-I420 HydrophobicContact CG1-CG2 4.26Å; V185-I420 HydrophobicContact CG2-CD1 3.65Å; L371-I420 HydrophobicContact CD1-CD1 4.07Å; L371-I420 HydrophobicContact CD1-CG1 4.15Å; V372-I420 PolarHBondContact O-N 3.27Å; V373-I420 CarbonylContact C-O 3.57Å; V373-I420 WeakPolarHBondContact CA-O 3.42Å; C374-I420 PolarHBondContact N-O 3.2Å; I420-C422 VanDerWaalsContact CG2-SG 3.53Å; I420-V502 HydrophobicContact CG2-CG1 4.18Å; I420-F503 CarbonylContact C-O 3.52Å; I420-F503 WeakPolarHBondContact CA-O 3.21Å; I420-A504 HydrophobicContact CG1-CB 4.29Å; I420-L509 HydrophobicContact CD1-CD1 3.72Å; I420-L509 HydrophobicContact CG1-CD1 3.38Å; I420-Y547 HydrophobicContact CD1-CD2 4.18Å; I420-Y547 HydrophobicContact CD1-CE2 4.38Å
421	L	98.8	Very high	95.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.5	173.2	168.6	61.5	0	0	0	109.2	C374 L395 L399 L437 L477 F503	C374-L421 HydrophobicContact CB-CD1 3.94Å; L395-L421 HydrophobicContact CD2-CD1 3.74Å; L395-L421 HydrophobicContact CD2-CD2 4.36Å; L395-L421 HydrophobicContact CG-CD1 4.5Å; L399-L421 HydrophobicContact CD1-CD1 4.4Å; L421-L437 HydrophobicContact CD2-CD1 4.43Å; L421-L437 HydrophobicContact CD2-CD2 3.79Å; L421-L477 HydrophobicContact CD2-CD1 4.16Å; L421-F503 HydrophobicContact CB-CB 4.14Å; L421-F503 PolarHBondContact N-O 3.02Å; L421-F503 PolarHBondContact O-N 3.19Å
422	C	98.2	Very high	95.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	156.8	175.7	-63.5	0	0	0	0	111	C187 S231 C374 T375 A376 I420 Y501	C187-C422 HydrophobicContact CB-CB 3.94Å; S231-C422 WeakPolarHBondContact OG-CB 3.35Å; C374-C422 PolarHBondContact O-N 3.03Å; T375-C422 CarbonylContact C-O 3.55Å; T375-C422 VanDerWaalsContact CA-O 3.25Å; T375-C422 WeakPolarHBondContact CA-O 3.38Å; A376-C422 PolarHBondContact N-O 3.11Å; I420-C422 VanDerWaalsContact CG2-SG 3.53Å; C422-Y501 CarbonylContact C-O 3.43Å; C422-Y501 WeakPolarHBondContact CA-O 3.43Å
423	G	97.3	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.8	176.4	159.7	0	0	0	0	0	115.1	C187 A376 L425 D500 Y501	C187-G423 VanDerWaalsContact SG-CA 3.59Å; C187-G423 PolarHBondContact SG-N 3.5Å; A376-G423 VanDerWaalsContact O-CA 3.24Å; A376-G423 WeakPolarHBondContact O-CA 3.39Å; G423-L425 PolarHBondContact O-N 3.4Å; G423-D500 WeakPolarHBondContact O-CA 3.47Å; G423-Y501 PolarHBondContact N-O 2.83Å; G423-Y501 PolarHBondContact O-N 2.93Å
424	D	98.3	Very high	96.7	Very high	2 Å²	2	23 Å²	23	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	101.4	167.2	-177.8	-2.1	0	0	0	108.6	N189 Q233 A376 H377 I378 N426 H540	N189-D424 PolarHBondContact ND2-OD2 3.35Å; Q233-D424 HydrophobicContact CG-CB 4.45Å; A376-D424 PolarHBondContact O-N 3.16Å; H377-D424 IonicContact CD2-OD2 3.7Å; H377-D424 IonicContact NE2-OD2 3.14Å; I378-D424 PolarHBondContact N-O 3.45Å; D424-N426 VanDerWaalsContact C-N 3.3Å; D424-N426 VanDerWaalsContact CG-ND2 3.25Å; D424-N426 WeakPolarHBondContact OD1-CA 3.31Å; D424-N426 PolarHBondContact OD1-N 2.91Å; D424-N426 PolarHBondContact OD1-ND2 3.08Å; D424-N426 VanDerWaalsContact OD1-ND2 3.08Å; D424-N426 PolarHBondContact OD1-OD1 3.33Å; D424-N426 PolarHBondContact OD2-ND2 3.31Å; D424-N426 VanDerWaalsContact OD2-ND2 3.11Å; D424-H540 IonicContact OD2-CE1 2.75Å; D424-H540 PolarHBondContact OD2-CE1 3.04Å
425	L	98.4	Very high	96.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.133	C	C	.	.			trans	-88.4	-4.4	178.4	-56.8	-173.5	0	0	0	112	I378 G423 S427 V433 L437 I499 Y501 F503	I378-L425 HydrophobicContact CG1-CD2 3.75Å; G423-L425 PolarHBondContact O-N 3.4Å; L425-S427 WeakPolarHBondContact O-CB 3.22Å; L425-S427 PolarHBondContact O-N 3.13Å; L425-S427 PolarHBondContact O-OG 3.26Å; L425-V433 HydrophobicContact CB-CG1 4.2Å; L425-V433 HydrophobicContact CD1-CG1 4.11Å; L425-L437 HydrophobicContact CD1-CD1 3.5Å; L425-L437 VanDerWaalsContact CD1-CD1 3.5Å; L425-I499 PolarHBondContact N-O 3.4Å; L425-Y501 HydrophobicContact CB-CD2 3.93Å; L425-Y501 HydrophobicContact CB-CE2 4.21Å; L425-Y501 HydrophobicContact CD1-CD2 3.68Å; L425-Y501 HydrophobicContact CD1-CE2 4.41Å; L425-Y501 HydrophobicContact CD1-CG 4.18Å; L425-Y501 HydrophobicContact CG-CD2 3.86Å; L425-F503 HydrophobicContact CD1-CE2 4.06Å
426	N	97.7	Very high	97.2	Very high	24 Å²	24	20.9 Å²	20.9	13%	0.128	11%	0.114	C	C	.	.			trans	50.6	31.5	178	-87	-68.2	0	0	0	113.4	I378 H379 K388 D424 I499	I378-N426 PolarHBondContact O-ND2 3.37Å; I378-N426 VanDerWaalsContact O-ND2 3.13Å; H379-N426 WeakPolarHBondContact O-CB 2.97Å; K388-N426 HydrophobicContact CD-CB 4.34Å; K388-N426 WeakPolarHBondContact CD-O 3.17Å; K388-N426 PolarHBondContact NZ-O 3.43Å; D424-N426 VanDerWaalsContact C-N 3.3Å; D424-N426 VanDerWaalsContact CG-ND2 3.25Å; D424-N426 WeakPolarHBondContact OD1-CA 3.31Å; D424-N426 PolarHBondContact OD1-N 2.91Å; D424-N426 PolarHBondContact OD1-ND2 3.08Å; D424-N426 VanDerWaalsContact OD1-ND2 3.08Å; D424-N426 PolarHBondContact OD1-OD1 3.33Å; D424-N426 PolarHBondContact OD2-ND2 3.31Å; D424-N426 VanDerWaalsContact OD2-ND2 3.11Å; N426-I499 PolarHBondContact N-O 3.4Å
427	S	98.3	Very high	97.6	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.063	11%	0.106	C	C	.	.			trans	-142.1	133.7	-171	-57.5	0	0	0	0	110.6	L425 S431 V433 Y501	L425-S427 WeakPolarHBondContact O-CB 3.22Å; L425-S427 PolarHBondContact O-N 3.13Å; L425-S427 PolarHBondContact O-OG 3.26Å; S427-S431 WeakPolarHBondContact CB-OG 3.4Å; S427-V433 WeakPolarHBondContact OG-CG2 3.38Å; S427-Y501 WeakPolarHBondContact O-CE2 3.36Å; S427-Y501 PolarHBondContact O-OH 3Å
428	L	97.3	Very high	97.8	Very high	69 Å²	69	21.4 Å²	21.4	36%	0.361	12%	0.119	S	C	.	.			trans	-73	162.5	-177.8	-68.9	174	0	0	0	112.3	N430 S431 F495 I499 Y501	L428-N430 WeakPolarHBondContact CB-OD1 3.48Å; L428-N430 PolarHBondContact O-N 3.17Å; L428-S431 WeakPolarHBondContact O-CB 3.16Å; L428-S431 PolarHBondContact O-N 3.43Å; L428-S431 PolarHBondContact O-OG 3.05Å; L428-F495 HydrophobicContact CD2-CE2 4.16Å; L428-F495 HydrophobicContact CD2-CZ 3.88Å; L428-I499 HydrophobicContact CD2-CG2 4.44Å; L428-Y501 VanDerWaalsContact C-OH 3.23Å
429	P	96.7	Very high	97.8	Very high	58 Å²	58	27.3 Å²	27.3	38%	0.377	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.4	-178.4	-26.8	35.9	0	0	0	115.3	H434 V498 Y501	P429-H434 PolarHBondContact O-ND1 3.41Å; P429-H434 VanDerWaalsContact O-ND1 3.1Å; P429-V498 HydrophobicContact CG-CB 3.97Å; P429-V498 HydrophobicContact CG-CG1 4.27Å; P429-Y501 WeakPolarHBondContact CD-OH 3.26Å
430	N	95.5	Very high	97.7	Very high	136 Å²	136	27.9 Å²	27.9	73%	0.727	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	4.7	175	67.6	-25.4	0	0	0	113.8	L428	L428-N430 WeakPolarHBondContact CB-OD1 3.48Å; L428-N430 PolarHBondContact O-N 3.17Å
431	S	97.8	Very high	97.6	Very high	13 Å²	13	35.3 Å²	35.3	9%	0.091	18%	0.179	C	C	.	.	S	Bend	trans	-77.6	160.3	179.6	66.5	0	0	0	0	112.7	S427 L428 V433 H434 E435	S427-S431 WeakPolarHBondContact CB-OG 3.4Å; L428-S431 WeakPolarHBondContact O-CB 3.16Å; L428-S431 PolarHBondContact O-N 3.43Å; L428-S431 PolarHBondContact O-OG 3.05Å; S431-V433 PolarHBondContact O-N 2.95Å; S431-H434 PolarHBondContact O-N 3.25Å; S431-H434 PolarHBondContact OG-N 3.17Å; S431-E435 WeakPolarHBondContact O-CB 3.41Å; S431-E435 PolarHBondContact O-N 3.37Å
432	G	98.2	Very high	97.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-30.4	169.7	0	0	0	0	0	112.7	L389 F436 I442 H446 D448	L389-G432 WeakPolarHBondContact CD1-O 3.29Å; G432-F436 WeakPolarHBondContact O-CB 3.14Å; G432-F436 PolarHBondContact O-N 3.48Å; G432-I442 WeakPolarHBondContact O-CD1 3.27Å; G432-H446 VanDerWaalsContact CA-CE1 3.47Å; G432-H446 WeakPolarHBondContact CA-CE1 3.47Å; G432-D448 PolarHBondContact N-OD2 3.15Å
433	V	98.6	Very high	97.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-53.4	174.5	167.6	0	0	0	0	110.3	K388 L389 T392 L425 S427 S431 F436 L437	K388-V433 HydrophobicContact CB-CG2 3.99Å; L389-V433 HydrophobicContact CB-CG2 4.18Å; L389-V433 HydrophobicContact CD1-CG2 4.42Å; T392-V433 HydrophobicContact CG2-CG1 4.09Å; L425-V433 HydrophobicContact CB-CG1 4.2Å; L425-V433 HydrophobicContact CD1-CG1 4.11Å; S427-V433 WeakPolarHBondContact OG-CG2 3.38Å; S431-V433 PolarHBondContact O-N 2.95Å; V433-F436 PolarHBondContact O-N 2.91Å; V433-L437 HydrophobicContact CG1-CD1 4.19Å; V433-L437 WeakPolarHBondContact O-CG 3.33Å; V433-L437 PolarHBondContact O-N 3.33Å; V433-L437 VanDerWaalsContact O-N 3.16Å
434	H	97.7	Very high	97.1	Very high	34 Å²	34	41.5 Å²	41.5	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-40.2	-179.7	-174.6	-83.8	0	0	0	111.9	P429 S431 S438 Y501 F503	P429-H434 PolarHBondContact O-ND1 3.41Å; P429-H434 VanDerWaalsContact O-ND1 3.1Å; S431-H434 PolarHBondContact O-N 3.25Å; S431-H434 PolarHBondContact OG-N 3.17Å; H434-S438 PolarHBondContact CE1-OG 3.01Å; H434-S438 PolarHBondContact ND1-OG 3.21Å; H434-S438 VanDerWaalsContact O-CB 3.25Å; H434-S438 WeakPolarHBondContact O-CB 3.46Å; H434-S438 PolarHBondContact O-N 2.93Å; H434-S438 PolarHBondContact O-OG 2.85Å; H434-Y501 AromaticContact CD2-CD1 4Å; H434-Y501 AromaticContact CD2-CE1 3.47Å; H434-Y501 VanDerWaalsContact CD2-CE1 3.47Å; H434-Y501 WeakPolarHBondContact CD2-CE1 3.45Å; H434-F503 AromaticContact CD2-CZ 3.72Å; H434-F503 AromaticContact NE2-CZ 3.95Å
435	E	98	Very high	96.9	Very high	52 Å²	52	44.6 Å²	44.6	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-49.5	174.8	170.2	158.3	138.6	0	0	111.7	S431 S438 K439 I442	S431-E435 WeakPolarHBondContact O-CB 3.41Å; S431-E435 PolarHBondContact O-N 3.37Å; E435-S438 PolarHBondContact O-N 3.18Å; E435-K439 HydrophobicContact CG-CD 3.91Å; E435-K439 HydrophobicContact CG-CG 4.41Å; E435-K439 VanDerWaalsContact O-CB 3.3Å; E435-K439 WeakPolarHBondContact O-CB 3.49Å; E435-K439 PolarHBondContact O-N 3.1Å; E435-K439 IonicContact OE2-NZ 2.78Å; E435-K439 PolarHBondContact OE2-NZ 2.98Å; E435-I442 HydrophobicContact CG-CG1 4.42Å
436	F	98.2	Very high	96.8	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-50.9	-178.2	-178.4	-114.7	0	0	0	111.2	L389 T392 M393 V396 G432 V433 G440 R441 I442 H473	L389-F436 HydrophobicContact CD1-CB 4.19Å; T392-F436 HydrophobicContact CG2-CD1 4.39Å; M393-F436 HydrophobicContact CB-CE1 4.19Å; M393-F436 HydrophobicContact CB-CZ 4.49Å; M393-F436 HydrophobicContact CG-CD1 3.99Å; M393-F436 HydrophobicContact CG-CE1 3.63Å; M393-F436 HydrophobicContact CG-CE2 4.42Å; M393-F436 HydrophobicContact CG-CZ 3.85Å; V396-F436 HydrophobicContact CB-CE1 4.38Å; G432-F436 WeakPolarHBondContact O-CB 3.14Å; G432-F436 PolarHBondContact O-N 3.48Å; V433-F436 PolarHBondContact O-N 2.91Å; F436-G440 WeakPolarHBondContact O-CA 3.29Å; F436-G440 PolarHBondContact O-N 3.33Å; F436-R441 PolarHBondContact O-N 2.95Å; F436-I442 HydrophobicContact CB-CB 4.1Å; F436-I442 HydrophobicContact CB-CD1 4.43Å; F436-I442 HydrophobicContact CB-CG2 4.22Å; F436-I442 HydrophobicContact CD2-CB 3.86Å; F436-I442 HydrophobicContact CD2-CG2 3.43Å; F436-I442 VanDerWaalsContact CD2-CG2 3.43Å; F436-I442 HydrophobicContact CE2-CG2 4.12Å; F436-I442 HydrophobicContact CG-CB 4.43Å; F436-I442 HydrophobicContact CG-CG2 4.13Å; F436-H473 AromaticContact CD1-CD2 3.98Å; F436-H473 AromaticContact CE1-CD2 3.62Å; F436-H473 AromaticContact CE2-CD2 3.95Å; F436-H473 HydrophobicContact CZ-CB 4.08Å; F436-H473 AromaticContact CZ-CD2 3.63Å; F436-H473 PolarHBondContact O-CD2 3.29Å; F436-H473 PolarHBondContact O-NE2 3.02Å
437	L	98.4	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-48.6	179.5	-71.2	171.5	0	0	0	112.5	T392 V396 L421 L425 V433 H473 L477 F503	T392-L437 HydrophobicContact CG2-CD1 3.87Å; T392-L437 HydrophobicContact CG2-CD2 3.8Å; T392-L437 HydrophobicContact CG2-CG 3.72Å; V396-L437 HydrophobicContact CG2-CD2 3.37Å; L421-L437 HydrophobicContact CD2-CD1 4.43Å; L421-L437 HydrophobicContact CD2-CD2 3.79Å; L425-L437 HydrophobicContact CD1-CD1 3.5Å; L425-L437 VanDerWaalsContact CD1-CD1 3.5Å; V433-L437 HydrophobicContact CG1-CD1 4.19Å; V433-L437 WeakPolarHBondContact O-CG 3.33Å; V433-L437 PolarHBondContact O-N 3.33Å; V433-L437 VanDerWaalsContact O-N 3.16Å; L437-H473 PolarHBondContact O-NE2 2.95Å; L437-L477 HydrophobicContact CD2-CD1 3.89Å; L437-F503 HydrophobicContact CB-CD1 4.38Å; L437-F503 HydrophobicContact CB-CE1 3.96Å; L437-F503 HydrophobicContact CB-CE2 4.35Å; L437-F503 HydrophobicContact CB-CZ 3.95Å; L437-F503 HydrophobicContact CD1-CD2 4.12Å; L437-F503 HydrophobicContact CD1-CE2 3.74Å; L437-F503 HydrophobicContact CD1-CZ 4.12Å
438	S	96.9	Very high	96.8	Very high	43 Å²	43	48.4 Å²	48.4	30%	0.301	25%	0.247	S	C	.	.	H	α-helix	trans	-77	-36	-172.4	-52.9	0	0	0	0	113	H434 E435 F503	H434-S438 PolarHBondContact CE1-OG 3.01Å; H434-S438 PolarHBondContact ND1-OG 3.21Å; H434-S438 VanDerWaalsContact O-CB 3.25Å; H434-S438 WeakPolarHBondContact O-CB 3.46Å; H434-S438 PolarHBondContact O-N 2.93Å; H434-S438 PolarHBondContact O-OG 2.85Å; E435-S438 PolarHBondContact O-N 3.18Å; S438-F503 WeakPolarHBondContact OG-CE1 3.32Å
439	K	96.6	Very high	96.8	Very high	125 Å²	125	45.1 Å²	45.1	54%	0.543	23%	0.23	S	C	.	.	H	α-helix	trans	-93	-8.3	-177.3	-59.4	-171.9	-170.7	160.1	0	112.9	E435 R441	E435-K439 HydrophobicContact CG-CD 3.91Å; E435-K439 HydrophobicContact CG-CG 4.41Å; E435-K439 VanDerWaalsContact O-CB 3.3Å; E435-K439 WeakPolarHBondContact O-CB 3.49Å; E435-K439 PolarHBondContact O-N 3.1Å; E435-K439 IonicContact OE2-NZ 2.78Å; E435-K439 PolarHBondContact OE2-NZ 2.98Å; K439-R441 HydrophobicContact CB-CG 4.08Å; K439-R441 PolarHBondContact O-N 2.9Å
440	G	96	Very high	96.7	Very high	13 Å²	13	46.6 Å²	46.6	13%	0.134	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	11.2	-171.6	0	0	0	0	0	113.5	F436 T472 H473	F436-G440 WeakPolarHBondContact O-CA 3.29Å; F436-G440 PolarHBondContact O-N 3.33Å; G440-T472 VanDerWaalsContact O-CA 3.27Å; G440-T472 WeakPolarHBondContact O-CA 3.46Å; G440-T472 WeakPolarHBondContact O-CB 3.27Å; G440-H473 WeakPolarHBondContact CA-NE2 3.43Å; G440-H473 PolarHBondContact O-N 3.39Å
441	R	95.9	Very high	96.6	Very high	155 Å²	155	45.1 Å²	45.1	59%	0.585	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-162.9	151.3	-172	70.2	-174.1	68.5	-171.7	-2.2	113	F436 K439 V470 Y471 T472	F436-R441 PolarHBondContact O-N 2.95Å; K439-R441 HydrophobicContact CB-CG 4.08Å; K439-R441 PolarHBondContact O-N 2.9Å; R441-V470 HydrophobicContact CB-CG1 3.8Å; R441-V470 HydrophobicContact CG-CG1 4.46Å; R441-Y471 CarbonylContact C-O 3.5Å; R441-Y471 WeakPolarHBondContact CA-O 3.47Å; R441-T472 HydrophobicContact CB-CG2 3.9Å
442	I	96.1	Very high	96.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145	171.8	-165.5	172.4	0	0	0	110.5	L389 G432 E435 F436 H446 F449 V470 Y471	L389-I442 HydrophobicContact CD1-CD1 4.05Å; L389-I442 HydrophobicContact CD2-CD1 3.81Å; G432-I442 WeakPolarHBondContact O-CD1 3.27Å; E435-I442 HydrophobicContact CG-CG1 4.42Å; F436-I442 HydrophobicContact CB-CB 4.1Å; F436-I442 HydrophobicContact CB-CD1 4.43Å; F436-I442 HydrophobicContact CB-CG2 4.22Å; F436-I442 HydrophobicContact CD2-CB 3.86Å; F436-I442 HydrophobicContact CD2-CG2 3.43Å; F436-I442 VanDerWaalsContact CD2-CG2 3.43Å; F436-I442 HydrophobicContact CE2-CG2 4.12Å; F436-I442 HydrophobicContact CG-CB 4.43Å; F436-I442 HydrophobicContact CG-CG2 4.13Å; I442-H446 HydrophobicContact CD1-CB 3.94Å; I442-H446 HydrophobicContact CG1-CB 3.9Å; I442-F449 HydrophobicContact CD1-CE2 4.25Å; I442-F449 HydrophobicContact CG1-CE2 4.46Å; I442-F449 HydrophobicContact CG2-CE2 3.93Å; I442-F449 HydrophobicContact CG2-CZ 3.87Å; I442-V470 CarbonylContact O-C 3.58Å; I442-V470 VanDerWaalsContact O-CA 3.23Å; I442-V470 WeakPolarHBondContact O-CA 3.22Å; I442-V470 WeakPolarHBondContact O-CG1 3.27Å; I442-Y471 HydrophobicContact CG2-CD2 4.37Å; I442-Y471 PolarHBondContact N-O 3.22Å; I442-Y471 PolarHBondContact O-N 2.94Å
443	R	95.1	Very high	96.1	Very high	130 Å²	130	50.2 Å²	50.2	49%	0.491	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	139.6	177.2	-61.5	173.4	54.1	101.2	-1.3	111.5	D445 H446 F449 K469	R443-D445 WeakPolarHBondContact CB-OD1 3.14Å; R443-D445 IonicContact CZ-OD1 2.97Å; R443-D445 IonicContact CZ-OD2 2.63Å; R443-D445 IonicContact NE-OD1 3.04Å; R443-D445 PolarHBondContact NE-OD1 3.37Å; R443-D445 IonicContact NE-OD2 3.66Å; R443-D445 IonicContact NH2-OD1 3.79Å; R443-D445 PolarHBondContact NH2-OD1 2.95Å; R443-D445 IonicContact NH2-OD2 2.81Å; R443-D445 PolarHBondContact NH2-OD2 2.99Å; R443-D445 PolarHBondContact O-N 2.68Å; R443-H446 WeakPolarHBondContact O-CB 3.23Å; R443-H446 PolarHBondContact O-N 3.4Å; R443-F449 WeakPolarHBondContact O-CE2 3.47Å; R443-K469 CarbonylContact C-O 3.47Å; R443-K469 WeakPolarHBondContact CA-O 3.44Å
444	A	93.6	Very high	95.6	Very high	2 Å²	2	55 Å²	55	2%	0.017	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18	179.7	0	0	0	0	0	113.6	R453 N454 K469 Y471	A444-R453 WeakPolarHBondContact O-CA 3.2Å; A444-N454 WeakPolarHBondContact CB-OD1 3.19Å; A444-N454 PolarHBondContact O-N 2.93Å; A444-K469 PolarHBondContact N-O 3.01Å; A444-Y471 HydrophobicContact CB-CD2 4.28Å; A444-Y471 HydrophobicContact CB-CE1 4.37Å; A444-Y471 HydrophobicContact CB-CE2 3.65Å
445	D	94.3	Very high	95	Very high	68 Å²	68	56.6 Å²	56.6	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	8.5	174.5	66.7	-10	0	0	0	113.8	R443	R443-D445 WeakPolarHBondContact CB-OD1 3.14Å; R443-D445 IonicContact CZ-OD1 2.97Å; R443-D445 IonicContact CZ-OD2 2.63Å; R443-D445 IonicContact NE-OD1 3.04Å; R443-D445 PolarHBondContact NE-OD1 3.37Å; R443-D445 IonicContact NE-OD2 3.66Å; R443-D445 IonicContact NH2-OD1 3.79Å; R443-D445 PolarHBondContact NH2-OD1 2.95Å; R443-D445 IonicContact NH2-OD2 2.81Å; R443-D445 PolarHBondContact NH2-OD2 2.99Å; R443-D445 PolarHBondContact O-N 2.68Å
446	H	97.1	Very high	94.4	Very high	40 Å²	40	57.9 Å²	57.9	19%	0.185	28%	0.284	C	S	.	.			trans	-55.4	145	-179.1	-172.3	-85.6	0	0	0	112.4	G432 I442 R443 D448 F449 R453	G432-H446 VanDerWaalsContact CA-CE1 3.47Å; G432-H446 WeakPolarHBondContact CA-CE1 3.47Å; I442-H446 HydrophobicContact CD1-CB 3.94Å; I442-H446 HydrophobicContact CG1-CB 3.9Å; R443-H446 WeakPolarHBondContact O-CB 3.23Å; R443-H446 PolarHBondContact O-N 3.4Å; H446-D448 VanDerWaalsContact C-N 3.3Å; H446-D448 IonicContact CE1-OD2 3.83Å; H446-D448 PolarHBondContact ND1-N 3.07Å; H446-D448 VanDerWaalsContact ND1-N 3.16Å; H446-D448 PolarHBondContact O-N 3.13Å; H446-F449 HydrophobicContact CB-CD2 3.9Å; H446-F449 HydrophobicContact CB-CE2 4.17Å; H446-F449 PolarHBondContact O-N 3.11Å; H446-F449 VanDerWaalsContact O-N 3.17Å; H446-R453 PolarHBondContact O-NE 3.19Å
447	G	96.9	Very high	93.9	Very high	39 Å²	39	58 Å²	58	40%	0.402	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-51.8	-48.1	-174.7	0	0	0	0	0	113.2	F449 K450 R453	G447-F449 VanDerWaalsContact C-N 3.25Å; G447-F449 PolarHBondContact O-N 2.95Å; G447-K450 PolarHBondContact O-N 2.81Å; G447-R453 PolarHBondContact O-NH2 3.18Å
448	D	97.9	Very high	93.5	Very high	35 Å²	35	58 Å²	58	19%	0.187	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65.7	-18.3	-175.4	-73.9	-12.6	0	0	0	114.9	C385 D386 L389 G432 H446 K450	C385-D448 CarbonylContact C-O 3.59Å; C385-D448 HydrophobicContact CB-CB 4.15Å; C385-D448 PolarHBondContact SG-OD1 3.06Å; D386-D448 WeakPolarHBondContact CA-O 3.38Å; D386-D448 WeakPolarHBondContact CB-O 3.35Å; D386-D448 PolarHBondContact N-O 3.03Å; D386-D448 VanDerWaalsContact N-O 3.08Å; L389-D448 HydrophobicContact CD2-CB 3.98Å; G432-D448 PolarHBondContact N-OD2 3.15Å; H446-D448 VanDerWaalsContact C-N 3.3Å; H446-D448 IonicContact CE1-OD2 3.83Å; H446-D448 PolarHBondContact ND1-N 3.07Å; H446-D448 VanDerWaalsContact ND1-N 3.16Å; H446-D448 PolarHBondContact O-N 3.13Å; D448-K450 PolarHBondContact O-N 2.91Å
449	F	97	Very high	93.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-67.8	-22.5	175.7	-79.4	-59.6	0	0	0	113.2	D386 L389 M393 I442 R443 H446 G447 E451 F452 R453 L458 Y471	D386-F449 WeakPolarHBondContact CB-O 3.33Å; L389-F449 HydrophobicContact CD2-CD1 3.64Å; L389-F449 HydrophobicContact CD2-CD2 4.05Å; L389-F449 HydrophobicContact CD2-CE1 3.43Å; L389-F449 VanDerWaalsContact CD2-CE1 3.43Å; L389-F449 HydrophobicContact CD2-CE2 3.85Å; L389-F449 HydrophobicContact CD2-CG 3.93Å; L389-F449 HydrophobicContact CD2-CZ 3.53Å; L389-F449 HydrophobicContact CG-CD1 4.12Å; L389-F449 HydrophobicContact CG-CE1 3.58Å; L389-F449 HydrophobicContact CG-CZ 3.88Å; M393-F449 HydrophobicContact SD-CE1 3.55Å; M393-F449 VanDerWaalsContact SD-CE1 3.55Å; M393-F449 HydrophobicContact SD-CZ 3.62Å; I442-F449 HydrophobicContact CD1-CE2 4.25Å; I442-F449 HydrophobicContact CG1-CE2 4.46Å; I442-F449 HydrophobicContact CG2-CE2 3.93Å; I442-F449 HydrophobicContact CG2-CZ 3.87Å; R443-F449 WeakPolarHBondContact O-CE2 3.47Å; H446-F449 HydrophobicContact CB-CD2 3.9Å; H446-F449 HydrophobicContact CB-CE2 4.17Å; H446-F449 PolarHBondContact O-N 3.11Å; H446-F449 VanDerWaalsContact O-N 3.17Å; G447-F449 VanDerWaalsContact C-N 3.25Å; G447-F449 PolarHBondContact O-N 2.95Å; F449-E451 PolarHBondContact O-N 3.29Å; F449-F452 HydrophobicContact CB-CB 4.13Å; F449-F452 HydrophobicContact CD1-CB 4.02Å; F449-F452 HydrophobicContact CG-CB 4.49Å; F449-F452 WeakPolarHBondContact O-CA 3.46Å; F449-F452 VanDerWaalsContact O-CB 3.3Å; F449-F452 WeakPolarHBondContact O-CB 3.37Å; F449-F452 PolarHBondContact O-N 3.29Å; F449-R453 HydrophobicContact CB-CB 4.47Å; F449-R453 HydrophobicContact CB-CG 3.73Å; F449-L458 HydrophobicContact CD1-CD1 3.72Å; F449-L458 HydrophobicContact CE1-CD1 3.53Å; F449-L458 HydrophobicContact CZ-CD1 4.3Å; F449-Y471 HydrophobicContact CE1-CD2 4.43Å; F449-Y471 HydrophobicContact CE1-CE2 4.39Å; F449-Y471 AromaticContact CE2-CD2 3.85Å; F449-Y471 HydrophobicContact CE2-CD2 3.85Å; F449-Y471 AromaticContact CE2-CE2 3.94Å; F449-Y471 HydrophobicContact CE2-CE2 3.94Å; F449-Y471 AromaticContact CZ-CD2 3.57Å; F449-Y471 HydrophobicContact CZ-CD2 3.57Å; F449-Y471 AromaticContact CZ-CE2 3.82Å; F449-Y471 HydrophobicContact CZ-CE2 3.82Å
450	K	95.6	Very high	92.4	Very high	90 Å²	90	58.6 Å²	58.6	39%	0.391	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	46.4	-111.4	-176.9	-62.1	-175	169.8	-173.7	0	112.2	E383 C385 D386 G447 D448 F452 R453	E383-K450 PolarHBondContact O-NZ 3.34Å; C385-K450 VanDerWaalsContact SG-CE 3.54Å; D386-K450 HydrophobicContact CB-CB 4.1Å; D386-K450 HydrophobicContact CB-CD 4.46Å; D386-K450 HydrophobicContact CB-CG 4.32Å; G447-K450 PolarHBondContact O-N 2.81Å; D448-K450 PolarHBondContact O-N 2.91Å; K450-F452 PolarHBondContact O-N 2.65Å; K450-R453 WeakPolarHBondContact O-CG 3.17Å; K450-R453 PolarHBondContact O-N 2.85Å
451	E	92.3	Very high	92	Very high	105 Å²	105	58.1 Å²	58.1	49%	0.491	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.4	-19.2	-180	-62.8	176.9	-120.9	0	0	113.1	P326 R330 F449 R453 Q455	P326-E451 HydrophobicContact CB-CB 4.26Å; P326-E451 HydrophobicContact CG-CB 3.98Å; R330-E451 IonicContact CZ-OE1 3.48Å; R330-E451 IonicContact NE-OE1 3.31Å; R330-E451 IonicContact NH1-OE1 2.84Å; R330-E451 PolarHBondContact NH1-OE1 3.21Å; F449-E451 PolarHBondContact O-N 3.29Å; E451-R453 VanDerWaalsContact C-N 3.34Å; E451-Q455 PolarHBondContact O-NE2 3.48Å
452	F	93.4	Very high	91.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-84	-1.5	177.2	-71.2	-85.4	0	0	0	114.7	P326 M327 V331 D386 V390 F449 K450 N454 Q455 L458	P326-F452 HydrophobicContact CB-CD1 4.08Å; P326-F452 HydrophobicContact CB-CD2 4.08Å; P326-F452 HydrophobicContact CB-CE1 3.68Å; P326-F452 HydrophobicContact CB-CE2 3.7Å; P326-F452 HydrophobicContact CB-CG 4.28Å; P326-F452 HydrophobicContact CB-CZ 3.49Å; P326-F452 VanDerWaalsContact CB-CZ 3.49Å; P326-F452 WeakPolarHBondContact O-CZ 3.4Å; M327-F452 HydrophobicContact CB-CE1 4.12Å; M327-F452 HydrophobicContact CB-CZ 4.43Å; M327-F452 HydrophobicContact CE-CE1 4.19Å; M327-F452 HydrophobicContact SD-CE1 4.29Å; M327-F452 HydrophobicContact SD-CZ 4.49Å; V331-F452 HydrophobicContact CG2-CE2 4.16Å; V331-F452 HydrophobicContact CG2-CZ 3.73Å; D386-F452 HydrophobicContact CB-CD2 4.08Å; V390-F452 HydrophobicContact CG2-CB 4.49Å; V390-F452 HydrophobicContact CG2-CD1 4.1Å; V390-F452 HydrophobicContact CG2-CD2 4.04Å; V390-F452 HydrophobicContact CG2-CE1 4.25Å; V390-F452 HydrophobicContact CG2-CE2 4.19Å; V390-F452 HydrophobicContact CG2-CG 3.97Å; V390-F452 HydrophobicContact CG2-CZ 4.28Å; F449-F452 HydrophobicContact CB-CB 4.13Å; F449-F452 HydrophobicContact CD1-CB 4.02Å; F449-F452 HydrophobicContact CG-CB 4.49Å; F449-F452 WeakPolarHBondContact O-CA 3.46Å; F449-F452 VanDerWaalsContact O-CB 3.3Å; F449-F452 WeakPolarHBondContact O-CB 3.37Å; F449-F452 PolarHBondContact O-N 3.29Å; K450-F452 PolarHBondContact O-N 2.65Å; F452-N454 PolarHBondContact O-N 2.71Å; F452-Q455 WeakPolarHBondContact O-CB 3.14Å; F452-Q455 WeakPolarHBondContact O-CG 3.44Å; F452-Q455 PolarHBondContact O-N 2.88Å; F452-Q455 VanDerWaalsContact O-N 3.1Å; F452-L458 HydrophobicContact CB-CD1 3.88Å; F452-L458 HydrophobicContact CD1-CD1 4.35Å; F452-L458 HydrophobicContact CD1-CD2 4.13Å; F452-L458 HydrophobicContact CD1-CG 4.32Å; F452-L458 HydrophobicContact CG-CD1 4.49Å
453	R	92.7	Very high	91.3	Very high	120 Å²	120	53.9 Å²	53.9	45%	0.453	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	126.4	-179.6	-76.1	-178.1	-167.1	168.7	13	110.5	A444 H446 G447 F449 K450 E451 Q455	A444-R453 WeakPolarHBondContact O-CA 3.2Å; H446-R453 PolarHBondContact O-NE 3.19Å; G447-R453 PolarHBondContact O-NH2 3.18Å; F449-R453 HydrophobicContact CB-CB 4.47Å; F449-R453 HydrophobicContact CB-CG 3.73Å; K450-R453 WeakPolarHBondContact O-CG 3.17Å; K450-R453 PolarHBondContact O-N 2.85Å; E451-R453 VanDerWaalsContact C-N 3.34Å; R453-Q455 PolarHBondContact O-N 3.4Å; R453-Q455 VanDerWaalsContact O-N 3.1Å
454	N	87.1	Confident	90.5	Very high	102 Å²	102	49.4 Å²	49.4	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	23.2	-179.5	-51.4	-62.9	0	0	0	115.3	A444 F452	A444-N454 WeakPolarHBondContact CB-OD1 3.19Å; A444-N454 PolarHBondContact O-N 2.93Å; F452-N454 PolarHBondContact O-N 2.71Å
455	Q	86.6	Confident	89.1	Confident	68 Å²	68	51.8 Å²	51.8	32%	0.318	29%	0.287	S	S	.	.			trans	-72.1	131.3	174.7	-69.6	-65.4	-27.9	0	0	110.8	E451 F452 R453 C457 L458 Y471	E451-Q455 PolarHBondContact O-NE2 3.48Å; F452-Q455 WeakPolarHBondContact O-CB 3.14Å; F452-Q455 WeakPolarHBondContact O-CG 3.44Å; F452-Q455 PolarHBondContact O-N 2.88Å; F452-Q455 VanDerWaalsContact O-N 3.1Å; R453-Q455 PolarHBondContact O-N 3.4Å; R453-Q455 VanDerWaalsContact O-N 3.1Å; Q455-C457 PolarHBondContact O-N 3.22Å; Q455-L458 PolarHBondContact O-N 3.2Å; Q455-Y471 PolarHBondContact O-OH 3.15Å
456	S	85.4	Confident	87.5	Confident	78 Å²	78	54 Å²	54	55%	0.545	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27.8	-179.9	52.9	0	0	0	0	113.3	L458 Q459	S456-L458 PolarHBondContact O-N 3.04Å; S456-L458 VanDerWaalsContact O-N 3.15Å; S456-Q459 VanDerWaalsContact O-CB 3.29Å; S456-Q459 WeakPolarHBondContact O-CB 3.21Å; S456-Q459 WeakPolarHBondContact O-CG 3.35Å; S456-Q459 PolarHBondContact O-N 3.49Å
457	C	87.6	Confident	85.7	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.034	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-59	-27.5	177.9	65	0	0	0	0	113.1	C324 Q455 Q459	C324-C457 HydrophobicContact CB-CB 3.83Å; C324-C457 PolarHBondContact SG-SG 3.34Å; Q455-C457 PolarHBondContact O-N 3.22Å; C457-Q459 VanDerWaalsContact C-N 3.33Å
458	L	90.1	Very high	84.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-79.1	-14.5	178.2	-61.7	-170.4	0	0	0	113.3	M327 V390 M393 F449 F452 Q455 S456 R460 M461 Y471	M327-L458 HydrophobicContact CE-CD2 4.09Å; V390-L458 HydrophobicContact CG1-CD2 4.15Å; V390-L458 HydrophobicContact CG2-CD1 4.39Å; V390-L458 HydrophobicContact CG2-CD2 3.91Å; M393-L458 HydrophobicContact CE-CB 4.29Å; F449-L458 HydrophobicContact CD1-CD1 3.72Å; F449-L458 HydrophobicContact CE1-CD1 3.53Å; F449-L458 HydrophobicContact CZ-CD1 4.3Å; F452-L458 HydrophobicContact CB-CD1 3.88Å; F452-L458 HydrophobicContact CD1-CD1 4.35Å; F452-L458 HydrophobicContact CD1-CD2 4.13Å; F452-L458 HydrophobicContact CD1-CG 4.32Å; F452-L458 HydrophobicContact CG-CD1 4.49Å; Q455-L458 PolarHBondContact O-N 3.2Å; S456-L458 PolarHBondContact O-N 3.04Å; S456-L458 VanDerWaalsContact O-N 3.15Å; L458-R460 VanDerWaalsContact C-N 3.29Å; L458-R460 PolarHBondContact O-N 2.75Å; L458-M461 HydrophobicContact CD2-CE 4.4Å; L458-M461 HydrophobicContact CD2-SD 3.83Å; L458-M461 WeakPolarHBondContact O-CB 3.49Å; L458-M461 PolarHBondContact O-N 2.79Å; L458-Y471 HydrophobicContact CB-CE1 3.94Å; L458-Y471 HydrophobicContact CB-CE2 3.98Å; L458-Y471 HydrophobicContact CD1-CE2 3.86Å
459	Q	87.6	Confident	83.6	Confident	56 Å²	56	67.9 Å²	67.9	26%	0.262	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-65.1	-34	-179.6	-66.3	179.1	-24.8	0	0	112	S456 C457 M461 S462 N466 Y471	S456-Q459 VanDerWaalsContact O-CB 3.29Å; S456-Q459 WeakPolarHBondContact O-CB 3.21Å; S456-Q459 WeakPolarHBondContact O-CG 3.35Å; S456-Q459 PolarHBondContact O-N 3.49Å; C457-Q459 VanDerWaalsContact C-N 3.33Å; Q459-M461 PolarHBondContact O-N 2.93Å; Q459-S462 WeakPolarHBondContact O-CB 3.15Å; Q459-S462 PolarHBondContact O-N 3.2Å; Q459-N466 PolarHBondContact NE2-O 2.74Å; Q459-Y471 HydrophobicContact CG-CE1 4.19Å
460	R	83	Confident	83.4	Confident	123 Å²	123	69.8 Å²	69.8	46%	0.464	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20.7	174.6	-70.1	-170.2	-179.1	165.5	8.2	113.4	E322 Q397 L458 S462	E322-R460 IonicContact OE1-CZ 3.6Å; E322-R460 IonicContact OE1-NH1 3.3Å; E322-R460 PolarHBondContact OE1-NH1 3.09Å; E322-R460 IonicContact OE1-NH2 3.4Å; E322-R460 PolarHBondContact OE1-NH2 2.73Å; E322-R460 IonicContact OE2-CZ 3.22Å; E322-R460 VanDerWaalsContact OE2-CZ 3.3Å; E322-R460 IonicContact OE2-NE 3.02Å; E322-R460 IonicContact OE2-NH1 2.76Å; E322-R460 IonicContact OE2-NH2 2.77Å; E322-R460 PolarHBondContact OE2-NH2 2.99Å; Q397-R460 PolarHBondContact NE2-O 2.94Å; L458-R460 VanDerWaalsContact C-N 3.29Å; L458-R460 PolarHBondContact O-N 2.75Å; R460-S462 VanDerWaalsContact C-N 3.31Å
461	M	86.5	Confident	83.4	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.02	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-93.3	4.6	-179.6	-55.5	167.2	50.6	0	0	112.6	N320 M327 V390 M393 M394 Q397 L458 Q459	N320-M461 HydrophobicContact CB-SD 4.45Å; M327-M461 HydrophobicContact CE-SD 4.07Å; V390-M461 HydrophobicContact CG1-CE 4.05Å; V390-M461 WeakPolarHBondContact O-CE 3.43Å; M393-M461 HydrophobicContact CB-CE 3.5Å; M393-M461 VanDerWaalsContact CB-CE 3.5Å; M393-M461 HydrophobicContact CE-CB 4.21Å; M394-M461 HydrophobicContact CB-CE 4.09Å; M394-M461 HydrophobicContact CE-CE 4.04Å; M394-M461 HydrophobicContact CE-SD 3.99Å; M394-M461 HydrophobicContact CG-CE 3.19Å; M394-M461 HydrophobicContact CG-SD 4.12Å; M394-M461 HydrophobicContact SD-CE 4.49Å; Q397-M461 VanDerWaalsContact OE1-CA 3.26Å; L458-M461 HydrophobicContact CD2-CE 4.4Å; L458-M461 HydrophobicContact CD2-SD 3.83Å; L458-M461 WeakPolarHBondContact O-CB 3.49Å; L458-M461 PolarHBondContact O-N 2.79Å; Q459-M461 PolarHBondContact O-N 2.93Å
462	S	90.7	Very high	83.5	Confident	13 Å²	13	62.1 Å²	62.1	9%	0.091	33%	0.333	C	S	.	.	S	Bend	trans	-106.1	135.7	176.5	172.6	0	0	0	0	109.9	Q459 R460 A464 Y471 T472	Q459-S462 WeakPolarHBondContact O-CB 3.15Å; Q459-S462 PolarHBondContact O-N 3.2Å; R460-S462 VanDerWaalsContact C-N 3.31Å; S462-A464 VanDerWaalsContact C-N 3.32Å; S462-A464 WeakPolarHBondContact CB-O 3.15Å; S462-A464 PolarHBondContact OG-N 3.33Å; S462-A464 PolarHBondContact OG-O 2.94Å; S462-Y471 WeakPolarHBondContact OG-CA 3.44Å; S462-T472 WeakPolarHBondContact CA-O 3.29Å; S462-T472 PolarHBondContact OG-N 3.3Å
463	A	87.7	Confident	83.6	Confident	53 Å²	53	63 Å²	63	44%	0.438	34%	0.337	S	S	.	.	S	Bend	trans	-67.5	-33.8	174.8	0	0	0	0	0	112.1	G465 T472 R474	A463-G465 PolarHBondContact O-N 3.4Å; A463-T472 PolarHBondContact N-O 2.78Å; A463-R474 HydrophobicContact CB-CG 3.91Å
464	A	77.5	Confident	83.7	Confident	36 Å²	36	63.3 Å²	63.3	30%	0.298	34%	0.338	S	S	.	.	S	Bend	trans	-74.8	120.4	165.1	0	0	0	0	0	108	S462 T472	S462-A464 VanDerWaalsContact C-N 3.32Å; S462-A464 WeakPolarHBondContact CB-O 3.15Å; S462-A464 PolarHBondContact OG-N 3.33Å; S462-A464 PolarHBondContact OG-O 2.94Å; A464-T472 HydrophobicContact CB-CG2 4.21Å; A464-T472 VanDerWaalsContact CB-OG1 3.26Å; A464-T472 WeakPolarHBondContact CB-OG1 3.41Å; A464-T472 PolarHBondContact N-OG1 2.8Å
465	G	64.8	Low	84.1	Confident	52 Å²	52	59 Å²	59	54%	0.536	32%	0.315	S	S	.	.			trans	-59.9	-169.2	177.7	0	0	0	0	0	114.5	A463 E467	A463-G465 PolarHBondContact O-N 3.4Å; G465-E467 PolarHBondContact O-N 3.21Å
466	N	60.1	Low	84.4	Confident	116 Å²	116	59 Å²	59	62%	0.62	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-1.3	-159.5	-70	-1.6	0	0	0	119.7	Q459	Q459-N466 PolarHBondContact NE2-O 2.74Å
467	E	58.6	Low	85	Confident	197 Å²	197	55.5 Å²	55.5	92%	0.921	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	10.6	-168.2	-72.1	-162.7	158.2	0	0	116.5	G465	G465-E467 PolarHBondContact O-N 3.21Å
468	S	64.6	Low	85.5	Confident	39 Å²	39	59.4 Å²	59.4	27%	0.273	32%	0.319	S	S	.	.			trans	-113.5	127.1	-161.2	-171.7	0	0	0	0	113.8	V470	S468-V470 WeakPolarHBondContact CB-O 3.47Å; S468-V470 PolarHBondContact O-N 3.3Å; S468-V470 VanDerWaalsContact OG-C 3.3Å; S468-V470 WeakPolarHBondContact OG-CA 3.22Å; S468-V470 VanDerWaalsContact OG-CB 3.31Å; S468-V470 WeakPolarHBondContact OG-CB 3.47Å; S468-V470 PolarHBondContact OG-N 2.85Å; S468-V470 PolarHBondContact OG-O 3.01Å
469	K	87.3	Confident	85.9	Confident	168 Å²	168	60.2 Å²	60.2	73%	0.73	33%	0.325	S	S	*	.	S	Bend	trans	-64.7	11.5	158.4	-67	-176.5	178.7	179.5	0	112.3	R443 A444	R443-K469 CarbonylContact C-O 3.47Å; R443-K469 WeakPolarHBondContact CA-O 3.44Å; A444-K469 PolarHBondContact N-O 3.01Å
470	V	92.9	Very high	86.3	Confident	40 Å²	40	57.6 Å²	57.6	24%	0.242	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	123.9	-171.8	-177.2	0	0	0	0	109.4	R441 I442 S468 T472	R441-V470 HydrophobicContact CB-CG1 3.8Å; R441-V470 HydrophobicContact CG-CG1 4.46Å; I442-V470 CarbonylContact O-C 3.58Å; I442-V470 VanDerWaalsContact O-CA 3.23Å; I442-V470 WeakPolarHBondContact O-CA 3.22Å; I442-V470 WeakPolarHBondContact O-CG1 3.27Å; S468-V470 WeakPolarHBondContact CB-O 3.47Å; S468-V470 PolarHBondContact O-N 3.3Å; S468-V470 VanDerWaalsContact OG-C 3.3Å; S468-V470 WeakPolarHBondContact OG-CA 3.22Å; S468-V470 VanDerWaalsContact OG-CB 3.31Å; S468-V470 WeakPolarHBondContact OG-CB 3.47Å; S468-V470 PolarHBondContact OG-N 2.85Å; S468-V470 PolarHBondContact OG-O 3.01Å; V470-T472 HydrophobicContact CG1-CG2 4.07Å
471	Y	94.3	Very high	86.9	Confident	5 Å²	5	52.7 Å²	52.7	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.7	168.9	-53.1	-56.6	0	0	0	109.6	M393 R441 I442 A444 F449 Q455 L458 Q459 S462	M393-Y471 HydrophobicContact CE-CD1 4.37Å; M393-Y471 HydrophobicContact CE-CD2 3.79Å; M393-Y471 HydrophobicContact CE-CG 3.68Å; M393-Y471 HydrophobicContact SD-CD2 4.38Å; R441-Y471 CarbonylContact C-O 3.5Å; R441-Y471 WeakPolarHBondContact CA-O 3.47Å; I442-Y471 HydrophobicContact CG2-CD2 4.37Å; I442-Y471 PolarHBondContact N-O 3.22Å; I442-Y471 PolarHBondContact O-N 2.94Å; A444-Y471 HydrophobicContact CB-CD2 4.28Å; A444-Y471 HydrophobicContact CB-CE1 4.37Å; A444-Y471 HydrophobicContact CB-CE2 3.65Å; F449-Y471 HydrophobicContact CE1-CD2 4.43Å; F449-Y471 HydrophobicContact CE1-CE2 4.39Å; F449-Y471 AromaticContact CE2-CD2 3.85Å; F449-Y471 HydrophobicContact CE2-CD2 3.85Å; F449-Y471 AromaticContact CE2-CE2 3.94Å; F449-Y471 HydrophobicContact CE2-CE2 3.94Å; F449-Y471 AromaticContact CZ-CD2 3.57Å; F449-Y471 HydrophobicContact CZ-CD2 3.57Å; F449-Y471 AromaticContact CZ-CE2 3.82Å; F449-Y471 HydrophobicContact CZ-CE2 3.82Å; Q455-Y471 PolarHBondContact O-OH 3.15Å; L458-Y471 HydrophobicContact CB-CE1 3.94Å; L458-Y471 HydrophobicContact CB-CE2 3.98Å; L458-Y471 HydrophobicContact CD1-CE2 3.86Å; Q459-Y471 HydrophobicContact CG-CE1 4.19Å; S462-Y471 WeakPolarHBondContact OG-CA 3.44Å
472	T	95.3	Very high	87	Confident	29 Å²	29	56.2 Å²	56.2	18%	0.178	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	163	-176.6	65.8	0	0	0	0	112.8	G440 R441 S462 A463 A464 V470	G440-T472 VanDerWaalsContact O-CA 3.27Å; G440-T472 WeakPolarHBondContact O-CA 3.46Å; G440-T472 WeakPolarHBondContact O-CB 3.27Å; R441-T472 HydrophobicContact CB-CG2 3.9Å; S462-T472 WeakPolarHBondContact CA-O 3.29Å; S462-T472 PolarHBondContact OG-N 3.3Å; A463-T472 PolarHBondContact N-O 2.78Å; A464-T472 HydrophobicContact CB-CG2 4.21Å; A464-T472 VanDerWaalsContact CB-OG1 3.26Å; A464-T472 WeakPolarHBondContact CB-OG1 3.41Å; A464-T472 PolarHBondContact N-OG1 2.8Å; V470-T472 HydrophobicContact CG1-CG2 4.07Å
473	H	95.5	Very high	86.8	Confident	18 Å²	18	58.6 Å²	58.6	8%	0.083	33%	0.334	C	S	.	.			trans	-140.1	162.4	168.2	70.9	85.7	0	0	0	111.6	V396 F436 L437 G440 L475	V396-H473 HydrophobicContact CG1-CB 3.4Å; F436-H473 AromaticContact CD1-CD2 3.98Å; F436-H473 AromaticContact CE1-CD2 3.62Å; F436-H473 AromaticContact CE2-CD2 3.95Å; F436-H473 HydrophobicContact CZ-CB 4.08Å; F436-H473 AromaticContact CZ-CD2 3.63Å; F436-H473 PolarHBondContact O-CD2 3.29Å; F436-H473 PolarHBondContact O-NE2 3.02Å; L437-H473 PolarHBondContact O-NE2 2.95Å; G440-H473 WeakPolarHBondContact CA-NE2 3.43Å; G440-H473 PolarHBondContact O-N 3.39Å; H473-L475 PolarHBondContact ND1-N 3.02Å
474	R	95.3	Very high	86.7	Confident	128 Å²	128	63.3 Å²	63.3	48%	0.483	35%	0.352	S	S	.	.	S	Bend	trans	-93.3	-20.5	-173.9	-59.1	-178.7	-61	175.4	8.3	114.9	D400 D404 A463 A476	D400-R474 VanDerWaalsContact CG-NE 3.26Å; D400-R474 IonicContact OD1-CZ 2.73Å; D400-R474 VanDerWaalsContact OD1-CZ 3.3Å; D400-R474 IonicContact OD1-NE 3.19Å; D400-R474 PolarHBondContact OD1-NE 2.83Å; D400-R474 IonicContact OD1-NH2 3.73Å; D400-R474 PolarHBondContact OD1-NH2 3.26Å; D400-R474 IonicContact OD2-CZ 2.99Å; D400-R474 IonicContact OD2-NE 3.22Å; D400-R474 PolarHBondContact OD2-NE 3.23Å; D400-R474 IonicContact OD2-NH2 2.65Å; D400-R474 PolarHBondContact OD2-NH2 3.33Å; D404-R474 IonicContact OD1-CZ 2.69Å; D404-R474 IonicContact OD1-NH1 3.7Å; D404-R474 IonicContact OD1-NH2 3.36Å; D404-R474 PolarHBondContact OD1-NH2 2.91Å; D404-R474 IonicContact OD2-CZ 2.65Å; D404-R474 IonicContact OD2-NH1 3.57Å; D404-R474 PolarHBondContact OD2-NH1 3.09Å; D404-R474 IonicContact OD2-NH2 3.54Å; D404-R474 PolarHBondContact OD2-NH2 3.36Å; A463-R474 HydrophobicContact CB-CG 3.91Å; R474-A476 PolarHBondContact O-N 2.98Å
475	L	94.4	Very high	87.3	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.058	35%	0.353	C	S	.	.	S	Bend	trans	-62.7	-1.2	-171	-60.6	-174.2	0	0	0	117.3	V396 L399 D400 V403 V419 H473 L477 T505	V396-L475 HydrophobicContact CG1-CD1 3.99Å; V396-L475 HydrophobicContact CG1-CG 4.32Å; L399-L475 HydrophobicContact CB-CD1 3.61Å; L399-L475 HydrophobicContact CD1-CD1 4.38Å; D400-L475 HydrophobicContact CB-CD2 4.32Å; D400-L475 HydrophobicContact CB-CG 4.35Å; V403-L475 HydrophobicContact CB-CD2 4.34Å; V403-L475 HydrophobicContact CG2-CD2 4Å; V419-L475 HydrophobicContact CG2-CD2 4.5Å; H473-L475 PolarHBondContact ND1-N 3.02Å; L475-L477 VanDerWaalsContact C-N 3.34Å; L475-L477 HydrophobicContact CB-CD1 4.29Å; L475-L477 HydrophobicContact CB-CD2 4.2Å; L475-L477 HydrophobicContact CB-CG 3.94Å; L475-L477 PolarHBondContact O-N 2.99Å; L475-T505 WeakPolarHBondContact O-CG2 3.3Å
476	A	94	Very high	88.7	Confident	67 Å²	67	62.4 Å²	62.4	55%	0.554	33%	0.329	S	S	*	.			trans	37.3	55.8	171.9	0	0	0	0	0	114.9	R474 P506	R474-A476 PolarHBondContact O-N 2.98Å; A476-P506 WeakPolarHBondContact O-CD 3.43Å
477	L	98.1	Very high	90.2	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	32%	0.317	C	S	.	.			trans	-85.1	143.7	-169.5	-63.9	171.2	0	0	0	112.3	L421 L437 L475 F503 T505	L421-L477 HydrophobicContact CD2-CD1 4.16Å; L437-L477 HydrophobicContact CD2-CD1 3.89Å; L475-L477 VanDerWaalsContact C-N 3.34Å; L475-L477 HydrophobicContact CB-CD1 4.29Å; L475-L477 HydrophobicContact CB-CD2 4.2Å; L475-L477 HydrophobicContact CB-CG 3.94Å; L475-L477 PolarHBondContact O-N 2.99Å; L477-F503 HydrophobicContact CB-CB 4.15Å; L477-F503 HydrophobicContact CB-CD1 3.94Å; L477-F503 HydrophobicContact CB-CG 4.41Å; L477-F503 HydrophobicContact CD1-CB 4.36Å; L477-F503 HydrophobicContact CD2-CB 4.43Å; L477-T505 HydrophobicContact CD2-CG2 4.2Å
478	E	97.2	Very high	92	Very high	87 Å²	87	50.9 Å²	50.9	41%	0.407	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.8	171.3	-174.9	-172.5	110.7	0	0	110.2	F503 A504 P506 K511	E478-F503 VanDerWaalsContact C-CD1 3.49Å; E478-F503 CarbonylContact O-C 3.59Å; E478-F503 VanDerWaalsContact O-CA 3.27Å; E478-F503 WeakPolarHBondContact O-CA 3.41Å; E478-A504 PolarHBondContact N-O 2.71Å; E478-A504 PolarHBondContact O-N 3.31Å; E478-P506 HydrophobicContact CB-CB 4.31Å; E478-P506 HydrophobicContact CB-CG 4.07Å; E478-K511 IonicContact OE1-NZ 3.89Å; E478-K511 PolarHBondContact OE1-NZ 3.45Å
479	S	97.5	Very high	93.5	Very high	18 Å²	18	49.1 Å²	49.1	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.4	170.1	179	0	0	0	0	110.2	Y481	S479-Y481 VanDerWaalsContact C-N 3.29Å; S479-Y481 PolarHBondContact O-N 2.78Å; S479-Y481 PolarHBondContact OG-O 2.77Å
480	A	96.9	Very high	94	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.232	C	C	.	.	S	Bend	trans	-62.2	-40.1	177.8	0	0	0	0	0	111.9	V502 K511 L514 V545 Y547	A480-V502 HydrophobicContact CB-CB 4.04Å; A480-V502 HydrophobicContact CB-CG1 4.31Å; A480-V502 VanDerWaalsContact CB-O 3.26Å; A480-V502 WeakPolarHBondContact CB-O 3.48Å; A480-V502 PolarHBondContact N-O 2.92Å; A480-K511 HydrophobicContact CB-CD 4.34Å; A480-K511 WeakPolarHBondContact O-CD 3.39Å; A480-K511 PolarHBondContact O-NZ 2.8Å; A480-L514 HydrophobicContact CB-CD2 4.09Å; A480-L514 WeakPolarHBondContact O-CD1 3.3Å; A480-V545 HydrophobicContact CB-CB 4.45Å; A480-V545 HydrophobicContact CB-CG1 4.04Å; A480-V545 HydrophobicContact CB-CG2 3.59Å; A480-Y547 WeakPolarHBondContact CB-OH 3.11Å
481	Y	95.8	Very high	94.2	Very high	20 Å²	20	40.3 Å²	40.3	8%	0.078	22%	0.223	C	C	.	.			trans	-104.7	146.4	-175	-73.9	-88.9	0	0	0	112	S479 I485 M486 L514 L515 L543 L544 V545	S479-Y481 VanDerWaalsContact C-N 3.29Å; S479-Y481 PolarHBondContact O-N 2.78Å; S479-Y481 PolarHBondContact OG-O 2.77Å; Y481-I485 HydrophobicContact CD1-CB 4.41Å; Y481-I485 HydrophobicContact CD1-CG2 3.93Å; Y481-I485 HydrophobicContact CE1-CG2 4.09Å; Y481-M486 HydrophobicContact CD1-CB 3.57Å; Y481-M486 HydrophobicContact CD1-CE 4.47Å; Y481-M486 HydrophobicContact CD1-CG 4.4Å; Y481-M486 HydrophobicContact CE1-CB 4.15Å; Y481-M486 HydrophobicContact CE1-CE 3.89Å; Y481-M486 HydrophobicContact CG-CB 4.23Å; Y481-L514 HydrophobicContact CD1-CD1 4.42Å; Y481-L514 HydrophobicContact CD1-CD2 4.38Å; Y481-L514 HydrophobicContact CD2-CD2 4.15Å; Y481-L514 HydrophobicContact CE1-CB 4.06Å; Y481-L514 HydrophobicContact CE1-CD1 4.5Å; Y481-L514 HydrophobicContact CE1-CD2 4.05Å; Y481-L514 HydrophobicContact CE1-CG 4.44Å; Y481-L514 HydrophobicContact CE2-CD2 3.76Å; Y481-L514 HydrophobicContact CG-CD2 4.45Å; Y481-L515 VanDerWaalsContact CE1-O 3.24Å; Y481-L515 WeakPolarHBondContact CE1-O 3.26Å; Y481-L515 PolarHBondContact OH-N 3.23Å; Y481-L515 PolarHBondContact OH-O 3.31Å; Y481-L543 HydrophobicContact CD2-CB 4.41Å; Y481-L543 HydrophobicContact CD2-CD1 4.13Å; Y481-L543 HydrophobicContact CD2-CD2 4.06Å; Y481-L543 HydrophobicContact CD2-CG 4.44Å; Y481-L543 HydrophobicContact CE1-CD2 4.44Å; Y481-L543 HydrophobicContact CE2-CB 3.73Å; Y481-L543 HydrophobicContact CE2-CD1 4.29Å; Y481-L543 HydrophobicContact CE2-CD2 3.83Å; Y481-L543 HydrophobicContact CE2-CG 4.16Å; Y481-L543 HydrophobicContact CG-CD2 4.46Å; Y481-L544 PolarHBondContact OH-N 2.86Å; Y481-L544 PolarHBondContact OH-O 3.16Å; Y481-V545 HydrophobicContact CD2-CG2 4.29Å; Y481-V545 HydrophobicContact CE2-CG2 3.59Å
482	D	89.3	Confident	94.2	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	23%	0.226	S	C	.	.			trans	-117	168.3	163.3	70.1	53	0	0	0	110.7	N484 I485 M486	D482-N484 PolarHBondContact O-N 3.41Å; D482-N484 WeakPolarHBondContact OD1-CA 3.05Å; D482-N484 WeakPolarHBondContact OD1-CB 3.44Å; D482-N484 PolarHBondContact OD1-N 3.28Å; D482-N484 PolarHBondContact OD1-ND2 3.02Å; D482-I485 PolarHBondContact O-N 2.83Å; D482-I485 PolarHBondContact OD1-N 3.31Å; D482-M486 PolarHBondContact O-N 2.84Å
483	A	85	Confident	94	Very high	63 Å²	63	43.2 Å²	43.2	52%	0.521	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.7	-175.9	0	0	0	0	0	114.4	P487	A483-P487 WeakPolarHBondContact O-CA 3.49Å
484	N	87.2	Confident	93.7	Very high	152 Å²	152	51.2 Å²	51.2	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-32.4	175.7	-53.5	-54.3	0	0	0	111.4	D482	D482-N484 PolarHBondContact O-N 3.41Å; D482-N484 WeakPolarHBondContact OD1-CA 3.05Å; D482-N484 WeakPolarHBondContact OD1-CB 3.44Å; D482-N484 PolarHBondContact OD1-N 3.28Å; D482-N484 PolarHBondContact OD1-ND2 3.02Å
485	I	89.1	Confident	93.7	Very high	62 Å²	62	48.6 Å²	48.6	32%	0.318	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-43.6	179.8	-57.5	175.1	0	0	0	110.9	Y481 D482 L514 S517	Y481-I485 HydrophobicContact CD1-CB 4.41Å; Y481-I485 HydrophobicContact CD1-CG2 3.93Å; Y481-I485 HydrophobicContact CE1-CG2 4.09Å; D482-I485 PolarHBondContact O-N 2.83Å; D482-I485 PolarHBondContact OD1-N 3.31Å; I485-L514 HydrophobicContact CD1-CD1 3.61Å; I485-L514 HydrophobicContact CG2-CD1 4.29Å; I485-S517 PolarHBondContact O-N 3.28Å
486	M	93.4	Very high	93.7	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.03	28%	0.282	C	S	.	.			trans	-131.8	90.6	-178.4	-169.8	66.3	76.7	0	0	109.6	Y481 D482 F488 T489 V498 S517 L543	Y481-M486 HydrophobicContact CD1-CB 3.57Å; Y481-M486 HydrophobicContact CD1-CE 4.47Å; Y481-M486 HydrophobicContact CD1-CG 4.4Å; Y481-M486 HydrophobicContact CE1-CB 4.15Å; Y481-M486 HydrophobicContact CE1-CE 3.89Å; Y481-M486 HydrophobicContact CG-CB 4.23Å; D482-M486 PolarHBondContact O-N 2.84Å; M486-F488 VanDerWaalsContact C-N 3.26Å; M486-F488 WeakPolarHBondContact CG-O 3.25Å; M486-F488 PolarHBondContact O-N 2.78Å; M486-F488 VanDerWaalsContact SD-O 3.39Å; M486-T489 HydrophobicContact CG-CG2 3.84Å; M486-V498 VanDerWaalsContact O-CG2 3.25Å; M486-V498 WeakPolarHBondContact O-CG2 3.49Å; M486-S517 WeakPolarHBondContact SD-CB 3.43Å; M486-L543 HydrophobicContact CE-CD2 3.83Å; M486-L543 HydrophobicContact CG-CD2 4.07Å
487	P	93.3	Very high	93.8	Very high	57 Å²	57	50.7 Å²	50.7	37%	0.37	26%	0.259	S	S	.	.	S	Bend	trans	-71.8	-20.5	-175.1	27.2	-34.1	0	0	0	113.4	A483	A483-P487 WeakPolarHBondContact O-CA 3.49Å
488	F	95.6	Very high	93.7	Very high	15 Å²	15	51.1 Å²	51.1	7%	0.066	26%	0.262	C	S	.	.			trans	-150.8	145.3	175	49.4	-97.9	0	0	0	109.9	M486 F491 V520 F523 F541	M486-F488 VanDerWaalsContact C-N 3.26Å; M486-F488 WeakPolarHBondContact CG-O 3.25Å; M486-F488 PolarHBondContact O-N 2.78Å; M486-F488 VanDerWaalsContact SD-O 3.39Å; F488-F491 HydrophobicContact CD1-CD2 4.12Å; F488-F491 HydrophobicContact CD2-CB 4.03Å; F488-F491 AromaticContact CD2-CD2 3.86Å; F488-F491 HydrophobicContact CD2-CD2 3.86Å; F488-F491 HydrophobicContact CD2-CG 4.41Å; F488-F491 HydrophobicContact CE1-CD2 4.05Å; F488-F491 HydrophobicContact CE1-CE2 4.22Å; F488-F491 HydrophobicContact CE2-CB 4.32Å; F488-F491 AromaticContact CE2-CD2 3.79Å; F488-F491 HydrophobicContact CE2-CD2 3.79Å; F488-F491 HydrophobicContact CE2-CG 4.39Å; F488-F491 HydrophobicContact CG-CD2 4.03Å; F488-F491 AromaticContact CZ-CD2 3.9Å; F488-F491 HydrophobicContact CZ-CD2 3.9Å; F488-F491 HydrophobicContact CZ-CE2 4.2Å; F488-V520 HydrophobicContact CE1-CG2 4.13Å; F488-F523 HydrophobicContact CE2-CE2 4.06Å; F488-F523 HydrophobicContact CE2-CZ 4.24Å; F488-F523 HydrophobicContact CZ-CD2 4.28Å; F488-F523 AromaticContact CZ-CE2 3.75Å; F488-F523 HydrophobicContact CZ-CE2 3.75Å; F488-F523 HydrophobicContact CZ-CZ 4.33Å; F488-F541 AromaticContact CD2-CD2 3.88Å; F488-F541 HydrophobicContact CD2-CD2 3.88Å; F488-F541 AromaticContact CD2-CE2 3.56Å; F488-F541 HydrophobicContact CD2-CE2 3.56Å; F488-F541 HydrophobicContact CD2-CZ 4.41Å; F488-F541 HydrophobicContact CE2-CD2 4.08Å; F488-F541 AromaticContact CE2-CE2 3.53Å; F488-F541 HydrophobicContact CE2-CE2 3.53Å; F488-F541 AromaticContact CE2-CZ 3.93Å; F488-F541 HydrophobicContact CE2-CZ 3.93Å
489	T	97.1	Very high	93.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	25%	0.245	C	C	.	.	S	Bend	trans	-113	-20.1	170	66	0	0	0	0	111.5	M486 G497 V498 I499 D500 H540 F541 L543	M486-T489 HydrophobicContact CG-CG2 3.84Å; T489-G497 PolarHBondContact N-O 3.34Å; T489-V498 HydrophobicContact CG2-CB 4.39Å; T489-V498 HydrophobicContact CG2-CG1 3.93Å; T489-V498 HydrophobicContact CG2-CG2 4.42Å; T489-I499 PolarHBondContact OG1-N 3Å; T489-D500 WeakPolarHBondContact CB-OD2 3.29Å; T489-D500 HydrophobicContact CG2-CB 4.22Å; T489-D500 PolarHBondContact OG1-N 3.09Å; T489-D500 PolarHBondContact OG1-OD2 3.35Å; T489-H540 CarbonylContact O-C 3.59Å; T489-H540 WeakPolarHBondContact O-CA 3.41Å; T489-F541 WeakPolarHBondContact O-CD2 3.31Å; T489-F541 PolarHBondContact O-N 2.76Å; T489-L543 HydrophobicContact CG2-CD1 4.44Å; T489-L543 HydrophobicContact CG2-CD2 3.86Å; T489-L543 HydrophobicContact CG2-CG 4.49Å
490	N	97.2	Very high	93.8	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.2	166.8	-179.5	-70.8	0	0	0	110	F495 K496 G497 I499 D539 H540	N490-F495 HydrophobicContact CB-CD1 4.23Å; N490-F495 HydrophobicContact CB-CE1 4.11Å; N490-F495 WeakPolarHBondContact OD1-CD1 3.41Å; N490-K496 WeakPolarHBondContact O-CA 3.34Å; N490-G497 PolarHBondContact N-O 3.2Å; N490-G497 PolarHBondContact O-N 2.86Å; N490-G497 VanDerWaalsContact O-N 3.16Å; N490-I499 HydrophobicContact CB-CD1 3.69Å; N490-I499 HydrophobicContact CB-CG1 3.88Å; N490-D539 CarbonylContact C-O 3.6Å; N490-D539 VanDerWaalsContact CA-O 3.26Å; N490-D539 WeakPolarHBondContact CA-O 3.46Å; N490-D539 PolarHBondContact ND2-OD2 3.19Å; N490-H540 PolarHBondContact ND2-CD2 3.4Å; N490-H540 VanDerWaalsContact ND2-CD2 3.34Å; N490-H540 PolarHBondContact ND2-CE1 3.06Å; N490-H540 PolarHBondContact ND2-NE2 3.44Å
491	F	96.6	Very high	93.9	Very high	13 Å²	13	47 Å²	47	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	101.6	-179	-169.6	-79.3	0	0	0	110.8	F488 K496 F523 C531 D539 F541	F488-F491 HydrophobicContact CD1-CD2 4.12Å; F488-F491 HydrophobicContact CD2-CB 4.03Å; F488-F491 AromaticContact CD2-CD2 3.86Å; F488-F491 HydrophobicContact CD2-CD2 3.86Å; F488-F491 HydrophobicContact CD2-CG 4.41Å; F488-F491 HydrophobicContact CE1-CD2 4.05Å; F488-F491 HydrophobicContact CE1-CE2 4.22Å; F488-F491 HydrophobicContact CE2-CB 4.32Å; F488-F491 AromaticContact CE2-CD2 3.79Å; F488-F491 HydrophobicContact CE2-CD2 3.79Å; F488-F491 HydrophobicContact CE2-CG 4.39Å; F488-F491 HydrophobicContact CG-CD2 4.03Å; F488-F491 AromaticContact CZ-CD2 3.9Å; F488-F491 HydrophobicContact CZ-CD2 3.9Å; F488-F491 HydrophobicContact CZ-CE2 4.2Å; F491-K496 HydrophobicContact CD2-CB 4.41Å; F491-K496 HydrophobicContact CD2-CD 3.81Å; F491-K496 HydrophobicContact CD2-CG 3.8Å; F491-K496 HydrophobicContact CE2-CD 3.54Å; F491-K496 HydrophobicContact CE2-CG 4.08Å; F491-K496 HydrophobicContact CG-CD 4.45Å; F491-K496 HydrophobicContact CG-CG 4.17Å; F491-K496 HydrophobicContact CZ-CD 3.96Å; F491-K496 VanDerWaalsContact CZ-CE 3.4Å; F491-F523 HydrophobicContact CD1-CD1 4.42Å; F491-F523 HydrophobicContact CD1-CE1 4.18Å; F491-F523 AromaticContact CE1-CD1 3.87Å; F491-F523 HydrophobicContact CE1-CD1 3.87Å; F491-F523 HydrophobicContact CE1-CE1 4.1Å; F491-F523 HydrophobicContact CE2-CD1 4.47Å; F491-F523 AromaticContact CZ-CD1 3.89Å; F491-F523 HydrophobicContact CZ-CD1 3.89Å; F491-F523 HydrophobicContact CZ-CE1 4.36Å; F491-F523 HydrophobicContact CZ-CG 4.23Å; F491-C531 WeakPolarHBondContact O-CB 3.44Å; F491-C531 PolarHBondContact O-N 3.38Å; F491-D539 PolarHBondContact N-O 2.97Å; F491-F541 HydrophobicContact CB-CE2 3.6Å; F491-F541 HydrophobicContact CB-CZ 4.14Å
492	T	95	Very high	94	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.098	24%	0.237	C	C	.	.			trans	-119.7	176.6	172.3	64.4	0	0	0	0	110.2	Y201 Y494 F495 K496 D539	Y201-T492 HydrophobicContact CE1-CG2 4.14Å; T492-Y494 PolarHBondContact O-N 2.79Å; T492-Y494 PolarHBondContact OG1-N 2.68Å; T492-F495 PolarHBondContact N-O 3.3Å; T492-F495 PolarHBondContact OG1-N 2.9Å; T492-F495 PolarHBondContact OG1-O 2.94Å; T492-F495 VanDerWaalsContact OG1-O 3.09Å; T492-K496 WeakPolarHBondContact O-CE 3.38Å; T492-D539 HydrophobicContact CG2-CB 3.74Å
493	N	90.2	Very high	94.4	Very high	78 Å²	78	42.4 Å²	42.4	42%	0.417	22%	0.217	S	C	.	.	S	Bend	trans	-63.8	-27.9	174.1	-167.2	30.6	0	0	0	112.6	Y203	Y203-N493 HydrophobicContact CD1-CB 4.07Å; Y203-N493 HydrophobicContact CE1-CB 3.63Å
494	Y	89.8	Confident	95.1	Very high	187 Å²	187	39.5 Å²	39.5	73%	0.733	19%	0.193	S	C	*	.	S	Bend	trans	-103.9	-24.5	-174.4	-57.3	-71.8	0	0	0	113.9	T492	T492-Y494 PolarHBondContact O-N 2.79Å; T492-Y494 PolarHBondContact OG1-N 2.68Å
495	F	94.6	Very high	95.6	Very high	73 Å²	73	32.9 Å²	32.9	32%	0.32	16%	0.158	S	C	.	.			trans	-139.1	135.1	-175.8	177.3	-101.1	0	0	0	111.3	L428 N490 T492 I499	L428-F495 HydrophobicContact CD2-CE2 4.16Å; L428-F495 HydrophobicContact CD2-CZ 3.88Å; N490-F495 HydrophobicContact CB-CD1 4.23Å; N490-F495 HydrophobicContact CB-CE1 4.11Å; N490-F495 WeakPolarHBondContact OD1-CD1 3.41Å; T492-F495 PolarHBondContact N-O 3.3Å; T492-F495 PolarHBondContact OG1-N 2.9Å; T492-F495 PolarHBondContact OG1-O 2.94Å; T492-F495 VanDerWaalsContact OG1-O 3.09Å; F495-I499 HydrophobicContact CE1-CD1 4.06Å; F495-I499 HydrophobicContact CE1-CG1 4.37Å; F495-I499 HydrophobicContact CE1-CG2 3.9Å; F495-I499 HydrophobicContact CZ-CG2 3.68Å
496	K	94.7	Very high	95.8	Very high	114 Å²	114	32.8 Å²	32.8	50%	0.496	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	115	174.6	-61.9	175.1	-178.2	178.2	0	107.3	N490 F491 T492	N490-K496 WeakPolarHBondContact O-CA 3.34Å; F491-K496 HydrophobicContact CD2-CB 4.41Å; F491-K496 HydrophobicContact CD2-CD 3.81Å; F491-K496 HydrophobicContact CD2-CG 3.8Å; F491-K496 HydrophobicContact CE2-CD 3.54Å; F491-K496 HydrophobicContact CE2-CG 4.08Å; F491-K496 HydrophobicContact CG-CD 4.45Å; F491-K496 HydrophobicContact CG-CG 4.17Å; F491-K496 HydrophobicContact CZ-CD 3.96Å; F491-K496 VanDerWaalsContact CZ-CE 3.4Å; T492-K496 WeakPolarHBondContact O-CE 3.38Å
497	G	95.5	Very high	95.6	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	170.8	-176.7	0	0	0	0	0	113.7	T489 N490	T489-G497 PolarHBondContact N-O 3.34Å; N490-G497 PolarHBondContact N-O 3.2Å; N490-G497 PolarHBondContact O-N 2.86Å; N490-G497 VanDerWaalsContact O-N 3.16Å
498	V	97.3	Very high	95.5	Very high	14 Å²	14	37.7 Å²	37.7	9%	0.085	17%	0.173	C	C	.	.			trans	-89.9	114.4	176.5	-179.3	0	0	0	0	108.2	P429 M486 T489 Y501	P429-V498 HydrophobicContact CG-CB 3.97Å; P429-V498 HydrophobicContact CG-CG1 4.27Å; M486-V498 VanDerWaalsContact O-CG2 3.25Å; M486-V498 WeakPolarHBondContact O-CG2 3.49Å; T489-V498 HydrophobicContact CG2-CB 4.39Å; T489-V498 HydrophobicContact CG2-CG1 3.93Å; T489-V498 HydrophobicContact CG2-CG2 4.42Å; V498-Y501 HydrophobicContact CG1-CD1 4.29Å; V498-Y501 HydrophobicContact CG1-CE1 3.6Å; V498-Y501 PolarHBondContact O-OH 2.98Å; V498-Y501 VanDerWaalsContact O-OH 3.04Å
499	I	97.7	Very high	95.3	Very high	11 Å²	11	37 Å²	37	6%	0.056	17%	0.17	C	C	.	.			trans	-131.4	-14.2	176.2	57	172.4	0	0	0	113	L425 N426 L428 T489 N490 F495 Y501	L425-I499 PolarHBondContact N-O 3.4Å; N426-I499 PolarHBondContact N-O 3.4Å; L428-I499 HydrophobicContact CD2-CG2 4.44Å; T489-I499 PolarHBondContact OG1-N 3Å; N490-I499 HydrophobicContact CB-CD1 3.69Å; N490-I499 HydrophobicContact CB-CG1 3.88Å; F495-I499 HydrophobicContact CE1-CD1 4.06Å; F495-I499 HydrophobicContact CE1-CG1 4.37Å; F495-I499 HydrophobicContact CE1-CG2 3.9Å; F495-I499 HydrophobicContact CZ-CG2 3.68Å; I499-Y501 VanDerWaalsContact C-CE2 3.47Å; I499-Y501 WeakPolarHBondContact O-CD2 3.44Å; I499-Y501 VanDerWaalsContact O-CE2 3.32Å; I499-Y501 WeakPolarHBondContact O-CE2 3.47Å
500	D	98.5	Very high	94.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139	173.7	-49.6	-89.9	0	0	0	109.4	G423 T489 H540 L543	G423-D500 WeakPolarHBondContact O-CA 3.47Å; T489-D500 WeakPolarHBondContact CB-OD2 3.29Å; T489-D500 HydrophobicContact CG2-CB 4.22Å; T489-D500 PolarHBondContact OG1-N 3.09Å; T489-D500 PolarHBondContact OG1-OD2 3.35Å; D500-H540 IonicContact OD1-CE1 3.72Å; D500-H540 IonicContact OD1-ND1 3.95Å; D500-H540 PolarHBondContact OD1-ND1 3.45Å; D500-H540 IonicContact OD2-CE1 2.81Å; D500-H540 IonicContact OD2-CG 3.83Å; D500-H540 IonicContact OD2-ND1 3.49Å; D500-H540 PolarHBondContact OD2-ND1 3.03Å; D500-L543 HydrophobicContact CB-CD1 4.18Å; D500-L543 WeakPolarHBondContact O-CD1 3.35Å
501	Y	98.4	Very high	94.5	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.3	-175.3	-61	-89.3	0	0	0	112.7	C422 G423 L425 S427 L428 P429 H434 V498 I499 F503	C422-Y501 CarbonylContact C-O 3.43Å; C422-Y501 WeakPolarHBondContact CA-O 3.43Å; G423-Y501 PolarHBondContact N-O 2.83Å; G423-Y501 PolarHBondContact O-N 2.93Å; L425-Y501 HydrophobicContact CB-CD2 3.93Å; L425-Y501 HydrophobicContact CB-CE2 4.21Å; L425-Y501 HydrophobicContact CD1-CD2 3.68Å; L425-Y501 HydrophobicContact CD1-CE2 4.41Å; L425-Y501 HydrophobicContact CD1-CG 4.18Å; L425-Y501 HydrophobicContact CG-CD2 3.86Å; S427-Y501 WeakPolarHBondContact O-CE2 3.36Å; S427-Y501 PolarHBondContact O-OH 3Å; L428-Y501 VanDerWaalsContact C-OH 3.23Å; P429-Y501 WeakPolarHBondContact CD-OH 3.26Å; H434-Y501 AromaticContact CD2-CD1 4Å; H434-Y501 AromaticContact CD2-CE1 3.47Å; H434-Y501 VanDerWaalsContact CD2-CE1 3.47Å; H434-Y501 WeakPolarHBondContact CD2-CE1 3.45Å; V498-Y501 HydrophobicContact CG1-CD1 4.29Å; V498-Y501 HydrophobicContact CG1-CE1 3.6Å; V498-Y501 PolarHBondContact O-OH 2.98Å; V498-Y501 VanDerWaalsContact O-OH 3.04Å; I499-Y501 VanDerWaalsContact C-CE2 3.47Å; I499-Y501 WeakPolarHBondContact O-CD2 3.44Å; I499-Y501 VanDerWaalsContact O-CE2 3.32Å; I499-Y501 WeakPolarHBondContact O-CE2 3.47Å; Y501-F503 AromaticContact CD1-CE2 3.95Å; Y501-F503 HydrophobicContact CD1-CE2 3.95Å; Y501-F503 HydrophobicContact CD1-CZ 4.33Å; Y501-F503 AromaticContact CG-CE2 3.78Å; Y501-F503 HydrophobicContact CG-CE2 3.78Å
502	V	98.7	Very high	94	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	107.4	163.2	-179.5	0	0	0	0	107.1	C187 I420 A480 L543 V545 Y547	C187-V502 HydrophobicContact CB-CG2 3.72Å; I420-V502 HydrophobicContact CG2-CG1 4.18Å; A480-V502 HydrophobicContact CB-CB 4.04Å; A480-V502 HydrophobicContact CB-CG1 4.31Å; A480-V502 VanDerWaalsContact CB-O 3.26Å; A480-V502 WeakPolarHBondContact CB-O 3.48Å; A480-V502 PolarHBondContact N-O 2.92Å; V502-L543 HydrophobicContact CG2-CB 4Å; V502-L543 HydrophobicContact CG2-CD1 4.08Å; V502-V545 HydrophobicContact CB-CG2 4.02Å; V502-V545 HydrophobicContact CG1-CG2 3.96Å; V502-V545 HydrophobicContact CG2-CG2 4.15Å; V502-Y547 HydrophobicContact CG1-CE2 4.17Å
503	F	98.7	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.4	171.6	-77.8	-86.3	0	0	0	110	I420 L421 L425 H434 L437 S438 L477 E478 Y501	I420-F503 CarbonylContact C-O 3.52Å; I420-F503 WeakPolarHBondContact CA-O 3.21Å; L421-F503 HydrophobicContact CB-CB 4.14Å; L421-F503 PolarHBondContact N-O 3.02Å; L421-F503 PolarHBondContact O-N 3.19Å; L425-F503 HydrophobicContact CD1-CE2 4.06Å; H434-F503 AromaticContact CD2-CZ 3.72Å; H434-F503 AromaticContact NE2-CZ 3.95Å; L437-F503 HydrophobicContact CB-CD1 4.38Å; L437-F503 HydrophobicContact CB-CE1 3.96Å; L437-F503 HydrophobicContact CB-CE2 4.35Å; L437-F503 HydrophobicContact CB-CZ 3.95Å; L437-F503 HydrophobicContact CD1-CD2 4.12Å; L437-F503 HydrophobicContact CD1-CE2 3.74Å; L437-F503 HydrophobicContact CD1-CZ 4.12Å; S438-F503 WeakPolarHBondContact OG-CE1 3.32Å; L477-F503 HydrophobicContact CB-CB 4.15Å; L477-F503 HydrophobicContact CB-CD1 3.94Å; L477-F503 HydrophobicContact CB-CG 4.41Å; L477-F503 HydrophobicContact CD1-CB 4.36Å; L477-F503 HydrophobicContact CD2-CB 4.43Å; E478-F503 VanDerWaalsContact C-CD1 3.49Å; E478-F503 CarbonylContact O-C 3.59Å; E478-F503 VanDerWaalsContact O-CA 3.27Å; E478-F503 WeakPolarHBondContact O-CA 3.41Å; Y501-F503 AromaticContact CD1-CE2 3.95Å; Y501-F503 HydrophobicContact CD1-CE2 3.95Å; Y501-F503 HydrophobicContact CD1-CZ 4.33Å; Y501-F503 AromaticContact CG-CE2 3.78Å; Y501-F503 HydrophobicContact CG-CE2 3.78Å
504	A	98.5	Very high	93.9	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.1	174.2	0	0	0	0	0	111.6	V419 I420 E478 P506 L509 Y547	V419-A504 VanDerWaalsContact O-CA 3.3Å; V419-A504 WeakPolarHBondContact O-CA 3.34Å; I420-A504 HydrophobicContact CG1-CB 4.29Å; E478-A504 PolarHBondContact N-O 2.71Å; E478-A504 PolarHBondContact O-N 3.31Å; A504-P506 VanDerWaalsContact O-CD 3.23Å; A504-P506 WeakPolarHBondContact O-CD 3.16Å; A504-L509 HydrophobicContact CB-CB 4.44Å; A504-L509 HydrophobicContact CB-CD1 4.07Å; A504-Y547 HydrophobicContact CB-CE1 3.82Å; A504-Y547 HydrophobicContact CB-CE2 4.21Å; A504-Y547 WeakPolarHBondContact CB-OH 3.11Å
505	T	97.5	Very high	94.1	Very high	13 Å²	13	40.7 Å²	40.7	8%	0.08	21%	0.205	C	C	.	.			trans	-80	102.9	172.4	40.6	0	0	0	0	110.7	V419 L475 L477 R507 T508 L509	V419-T505 HydrophobicContact CB-CG2 3.96Å; V419-T505 HydrophobicContact CG2-CG2 4.3Å; V419-T505 PolarHBondContact N-OG1 2.99Å; V419-T505 PolarHBondContact O-N 3.35Å; V419-T505 VanDerWaalsContact O-N 3.11Å; V419-T505 PolarHBondContact O-OG1 2.93Å; L475-T505 WeakPolarHBondContact O-CG2 3.3Å; L477-T505 HydrophobicContact CD2-CG2 4.2Å; T505-R507 PolarHBondContact O-N 2.96Å; T505-R507 VanDerWaalsContact O-N 3.12Å; T505-T508 WeakPolarHBondContact CB-OG1 3.48Å; T505-T508 PolarHBondContact O-N 2.95Å; T505-T508 PolarHBondContact O-OG1 2.96Å; T505-T508 PolarHBondContact OG1-OG1 3.31Å; T505-L509 PolarHBondContact O-N 3.2Å
506	P	92.8	Very high	93.8	Very high	61 Å²	61	39.2 Å²	39.2	40%	0.396	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.6	-170.2	30.1	-36	0	0	0	113.4	A476 E478 A504 T508 L509	A476-P506 WeakPolarHBondContact O-CD 3.43Å; E478-P506 HydrophobicContact CB-CB 4.31Å; E478-P506 HydrophobicContact CB-CG 4.07Å; A504-P506 VanDerWaalsContact O-CD 3.23Å; A504-P506 WeakPolarHBondContact O-CD 3.16Å; P506-T508 VanDerWaalsContact C-N 3.31Å; P506-L509 WeakPolarHBondContact CA-O 3.24Å
507	R	89.7	Confident	93.6	Very high	165 Å²	165	35.8 Å²	35.8	62%	0.623	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.8	173	178	-179.7	-71.7	-170.8	0.7	112.3	T505 A550	T505-R507 PolarHBondContact O-N 2.96Å; T505-R507 VanDerWaalsContact O-N 3.12Å; R507-A550 VanDerWaalsContact O-CB 3.28Å; R507-A550 WeakPolarHBondContact O-CB 3.42Å
508	T	91.1	Very high	93.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-23.5	-171.4	56.4	0	0	0	0	112.1	D416 P418 T505 P506 A550 V553	D416-T508 WeakPolarHBondContact O-CG2 3.28Å; P418-T508 WeakPolarHBondContact CA-OG1 3.39Å; T505-T508 WeakPolarHBondContact CB-OG1 3.48Å; T505-T508 PolarHBondContact O-N 2.95Å; T505-T508 PolarHBondContact O-OG1 2.96Å; T505-T508 PolarHBondContact OG1-OG1 3.31Å; P506-T508 VanDerWaalsContact C-N 3.31Å; T508-A550 WeakPolarHBondContact O-CB 3.4Å; T508-A550 PolarHBondContact O-N 2.78Å; T508-V553 HydrophobicContact CG2-CG2 3.8Å
509	L	92.2	Very high	92.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114.1	-178.6	-65.2	174	0	0	0	109.9	F183 L371 P418 I420 A504 T505 P506 Y547 A548 F549	F183-L509 HydrophobicContact CE1-CD2 3.86Å; F183-L509 HydrophobicContact CZ-CD2 3.9Å; L371-L509 HydrophobicContact CD1-CD1 4.14Å; P418-L509 HydrophobicContact CB-CD1 4.03Å; P418-L509 HydrophobicContact CB-CD2 3.95Å; P418-L509 HydrophobicContact CB-CG 3.8Å; I420-L509 HydrophobicContact CD1-CD1 3.72Å; I420-L509 HydrophobicContact CG1-CD1 3.38Å; A504-L509 HydrophobicContact CB-CB 4.44Å; A504-L509 HydrophobicContact CB-CD1 4.07Å; T505-L509 PolarHBondContact O-N 3.2Å; P506-L509 WeakPolarHBondContact CA-O 3.24Å; L509-Y547 HydrophobicContact CB-CD1 3.93Å; L509-Y547 HydrophobicContact CB-CE1 4.45Å; L509-Y547 HydrophobicContact CB-CG 4.35Å; L509-A548 CarbonylContact C-O 3.56Å; L509-A548 WeakPolarHBondContact CA-O 3.44Å; L509-F549 HydrophobicContact CD2-CD1 3.84Å; L509-F549 HydrophobicContact CD2-CE1 3.93Å; L509-F549 HydrophobicContact CD2-CG 4.4Å
510	I	87.4	Confident	92.3	Very high	91 Å²	91	44.7 Å²	44.7	47%	0.467	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.4	179.5	-56.6	170.1	0	0	0	108	V512 Y547 A548 A550	I510-V512 PolarHBondContact O-N 3.38Å; I510-Y547 CarbonylContact O-C 3.48Å; I510-Y547 WeakPolarHBondContact O-CA 3.41Å; I510-A548 HydrophobicContact CB-CB 4.38Å; I510-A548 PolarHBondContact N-O 3.22Å; I510-A548 PolarHBondContact O-N 2.72Å; I510-A550 HydrophobicContact CD1-CB 4.23Å; I510-A550 HydrophobicContact CG1-CB 4.25Å
511	K	90.5	Very high	92	Very high	80 Å²	80	46 Å²	46	35%	0.348	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	119.3	175.2	-175.1	169.3	66.2	-157.9	0	110.1	E478 A480 L514 V545 Y547	E478-K511 IonicContact OE1-NZ 3.89Å; E478-K511 PolarHBondContact OE1-NZ 3.45Å; A480-K511 HydrophobicContact CB-CD 4.34Å; A480-K511 WeakPolarHBondContact O-CD 3.39Å; A480-K511 PolarHBondContact O-NZ 2.8Å; K511-L514 HydrophobicContact CD-CD1 4.2Å; K511-L514 HydrophobicContact CD-CD2 4.15Å; K511-L514 HydrophobicContact CD-CG 4.3Å; K511-V545 HydrophobicContact CG-CG1 4.21Å; K511-Y547 HydrophobicContact CB-CD1 4.27Å; K511-Y547 HydrophobicContact CB-CE1 3.95Å; K511-Y547 HydrophobicContact CG-CE1 4.42Å
512	V	85.6	Confident	91.7	Very high	79 Å²	79	49.2 Å²	49.2	48%	0.479	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-43.4	-178.1	179.8	0	0	0	0	111.4	T182 I510 E546 A548	T182-V512 HydrophobicContact CG2-CG2 4.16Å; I510-V512 PolarHBondContact O-N 3.38Å; V512-E546 HydrophobicContact CB-CB 4.24Å; V512-E546 HydrophobicContact CB-CG 4.03Å; V512-E546 HydrophobicContact CG1-CG 4.36Å; V512-E546 PolarHBondContact N-O 3.24Å; V512-A548 HydrophobicContact CG2-CB 3.75Å
513	G	88.2	Confident	91.4	Very high	25 Å²	25	49.5 Å²	49.5	26%	0.258	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	160.9	-172.7	0	0	0	0	0	113.1	E546	G513-E546 PolarHBondContact N-O 3.07Å; G513-E546 PolarHBondContact O-N 2.91Å
514	L	94.6	Very high	91.1	Very high	51 Å²	51	56.3 Å²	56.3	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.3	-179	-65.3	168	0	0	0	109.7	A480 Y481 I485 K511 G516 V545	A480-L514 HydrophobicContact CB-CD2 4.09Å; A480-L514 WeakPolarHBondContact O-CD1 3.3Å; Y481-L514 HydrophobicContact CD1-CD1 4.42Å; Y481-L514 HydrophobicContact CD1-CD2 4.38Å; Y481-L514 HydrophobicContact CD2-CD2 4.15Å; Y481-L514 HydrophobicContact CE1-CB 4.06Å; Y481-L514 HydrophobicContact CE1-CD1 4.5Å; Y481-L514 HydrophobicContact CE1-CD2 4.05Å; Y481-L514 HydrophobicContact CE1-CG 4.44Å; Y481-L514 HydrophobicContact CE2-CD2 3.76Å; Y481-L514 HydrophobicContact CG-CD2 4.45Å; I485-L514 HydrophobicContact CD1-CD1 3.61Å; I485-L514 HydrophobicContact CG2-CD1 4.29Å; K511-L514 HydrophobicContact CD-CD1 4.2Å; K511-L514 HydrophobicContact CD-CD2 4.15Å; K511-L514 HydrophobicContact CD-CG 4.3Å; L514-G516 PolarHBondContact O-N 2.75Å; L514-V545 HydrophobicContact CD2-CB 4.05Å; L514-V545 HydrophobicContact CD2-CG1 3.65Å; L514-V545 HydrophobicContact CD2-CG2 3.7Å
515	L	93.5	Very high	91	Very high	57 Å²	57	63.2 Å²	63.2	30%	0.298	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-73	120.6	163.2	-179.4	66.3	0	0	0	108.8	Y481 L544	Y481-L515 VanDerWaalsContact CE1-O 3.24Å; Y481-L515 WeakPolarHBondContact CE1-O 3.26Å; Y481-L515 PolarHBondContact OH-N 3.23Å; Y481-L515 PolarHBondContact OH-O 3.31Å; L515-L544 HydrophobicContact CB-CB 3.73Å; L515-L544 HydrophobicContact CB-CD2 4.37Å; L515-L544 HydrophobicContact CD2-CB 4.02Å; L515-L544 HydrophobicContact CD2-CD2 4.45Å; L515-L544 PolarHBondContact N-O 3.47Å
516	G	89.4	Confident	90.8	Very high	42 Å²	42	66.7 Å²	66.7	43%	0.433	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-70.4	167.1	176.6	0	0	0	0	0	113	L514	L514-G516 PolarHBondContact O-N 2.75Å
517	S	89.5	Confident	90.8	Very high	41 Å²	41	72.4 Å²	72.4	29%	0.287	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-67	160.3	177.1	72.8	0	0	0	0	112.8	I485 M486 D519	I485-S517 PolarHBondContact O-N 3.28Å; M486-S517 WeakPolarHBondContact SD-CB 3.43Å; S517-D519 PolarHBondContact O-N 3.02Å
518	V	87.9	Confident	91	Very high	53 Å²	53	65.2 Å²	65.2	32%	0.321	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-60.1	137.4	163.4	179.4	0	0	0	0	108.8	V520 W522 F523 F541	V518-V520 PolarHBondContact O-N 2.8Å; V518-W522 HydrophobicContact CG1-CD2 4.45Å; V518-W522 HydrophobicContact CG1-CE3 3.81Å; V518-W522 HydrophobicContact CG1-CZ3 4.32Å; V518-F523 HydrophobicContact CB-CE2 3.72Å; V518-F523 HydrophobicContact CB-CZ 4.14Å; V518-F523 HydrophobicContact CG1-CD2 4.24Å; V518-F523 HydrophobicContact CG1-CE2 3.47Å; V518-F523 VanDerWaalsContact CG1-CE2 3.47Å; V518-F523 HydrophobicContact CG1-CZ 3.91Å; V518-F541 HydrophobicContact CB-CE1 4.45Å; V518-F541 HydrophobicContact CG2-CD1 3.95Å; V518-F541 HydrophobicContact CG2-CE1 3.83Å
519	D	88.4	Confident	91.1	Very high	104 Å²	104	68.6 Å²	68.6	56%	0.556	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-59.4	123.3	-177.9	-174	-7	0	0	0	110.9	S517 A521 W522 F523	S517-D519 PolarHBondContact O-N 3.02Å; D519-A521 PolarHBondContact O-N 2.86Å; D519-A521 VanDerWaalsContact OD1-CB 3.31Å; D519-A521 WeakPolarHBondContact OD1-CB 3.23Å; D519-A521 PolarHBondContact OD1-N 2.77Å; D519-W522 HydrophobicContact CB-CB 4.23Å; D519-W522 VanDerWaalsContact O-CB 3.27Å; D519-W522 WeakPolarHBondContact O-CB 3.29Å; D519-W522 PolarHBondContact O-N 3.43Å; D519-F523 WeakPolarHBondContact O-CD2 3.11Å; D519-F523 PolarHBondContact O-N 2.79Å
520	V	87.2	Confident	91.3	Very high	63 Å²	63	68.6 Å²	68.6	38%	0.382	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-33	177.1	-177.8	0	0	0	0	111	F488 V518 W522 F523 Q524	F488-V520 HydrophobicContact CE1-CG2 4.13Å; V518-V520 PolarHBondContact O-N 2.8Å; V520-W522 VanDerWaalsContact C-N 3.26Å; V520-W522 PolarHBondContact O-N 3.45Å; V520-F523 PolarHBondContact O-N 3.19Å; V520-Q524 WeakPolarHBondContact O-CG 3.3Å; V520-Q524 PolarHBondContact O-N 3.17Å
521	A	91.4	Very high	91.7	Very high	30 Å²	30	64.3 Å²	64.3	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-33.1	175.5	0	0	0	0	0	111.8	D519 Q524 Q525	D519-A521 PolarHBondContact O-N 2.86Å; D519-A521 VanDerWaalsContact OD1-CB 3.31Å; D519-A521 WeakPolarHBondContact OD1-CB 3.23Å; D519-A521 PolarHBondContact OD1-N 2.77Å; A521-Q524 PolarHBondContact O-N 2.92Å; A521-Q525 WeakPolarHBondContact O-CB 3.47Å; A521-Q525 WeakPolarHBondContact O-CG 3.3Å; A521-Q525 PolarHBondContact O-N 2.81Å
522	W	93.1	Very high	92.1	Very high	73 Å²	73	60.5 Å²	60.5	28%	0.277	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-41.6	176.3	180	88.5	0	0	0	111.7	V518 D519 V520 Q524 Q525 N526 I528 I536	V518-W522 HydrophobicContact CG1-CD2 4.45Å; V518-W522 HydrophobicContact CG1-CE3 3.81Å; V518-W522 HydrophobicContact CG1-CZ3 4.32Å; D519-W522 HydrophobicContact CB-CB 4.23Å; D519-W522 VanDerWaalsContact O-CB 3.27Å; D519-W522 WeakPolarHBondContact O-CB 3.29Å; D519-W522 PolarHBondContact O-N 3.43Å; V520-W522 VanDerWaalsContact C-N 3.26Å; V520-W522 PolarHBondContact O-N 3.45Å; W522-Q524 VanDerWaalsContact C-N 3.32Å; W522-Q524 PolarHBondContact O-N 3.44Å; W522-Q525 PolarHBondContact O-N 3.43Å; W522-N526 VanDerWaalsContact CD1-ND2 3.25Å; W522-N526 PolarHBondContact NE1-ND2 2.91Å; W522-N526 WeakPolarHBondContact O-CB 3.48Å; W522-N526 PolarHBondContact O-N 3.17Å; W522-N526 PolarHBondContact O-ND2 2.93Å; W522-I528 HydrophobicContact CD2-CD1 4.48Å; W522-I528 HydrophobicContact CE3-CD1 3.88Å; W522-I528 HydrophobicContact CH2-CD1 3.16Å; W522-I528 HydrophobicContact CZ2-CD1 3.84Å; W522-I528 HydrophobicContact CZ3-CD1 3.18Å; W522-I536 HydrophobicContact CH2-CD1 3.98Å; W522-I536 HydrophobicContact CH2-CG1 4.48Å; W522-I536 HydrophobicContact CZ3-CD1 3.62Å
523	F	92.4	Very high	92.6	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-43.2	173.5	-71.6	-84.9	0	0	0	111.7	F488 F491 V518 D519 V520 K527 I528 I536 F541	F488-F523 HydrophobicContact CE2-CE2 4.06Å; F488-F523 HydrophobicContact CE2-CZ 4.24Å; F488-F523 HydrophobicContact CZ-CD2 4.28Å; F488-F523 AromaticContact CZ-CE2 3.75Å; F488-F523 HydrophobicContact CZ-CE2 3.75Å; F488-F523 HydrophobicContact CZ-CZ 4.33Å; F491-F523 HydrophobicContact CD1-CD1 4.42Å; F491-F523 HydrophobicContact CD1-CE1 4.18Å; F491-F523 AromaticContact CE1-CD1 3.87Å; F491-F523 HydrophobicContact CE1-CD1 3.87Å; F491-F523 HydrophobicContact CE1-CE1 4.1Å; F491-F523 HydrophobicContact CE2-CD1 4.47Å; F491-F523 AromaticContact CZ-CD1 3.89Å; F491-F523 HydrophobicContact CZ-CD1 3.89Å; F491-F523 HydrophobicContact CZ-CE1 4.36Å; F491-F523 HydrophobicContact CZ-CG 4.23Å; V518-F523 HydrophobicContact CB-CE2 3.72Å; V518-F523 HydrophobicContact CB-CZ 4.14Å; V518-F523 HydrophobicContact CG1-CD2 4.24Å; V518-F523 HydrophobicContact CG1-CE2 3.47Å; V518-F523 VanDerWaalsContact CG1-CE2 3.47Å; V518-F523 HydrophobicContact CG1-CZ 3.91Å; D519-F523 WeakPolarHBondContact O-CD2 3.11Å; D519-F523 PolarHBondContact O-N 2.79Å; V520-F523 PolarHBondContact O-N 3.19Å; F523-K527 WeakPolarHBondContact O-CA 3.35Å; F523-K527 PolarHBondContact O-N 2.84Å; F523-I528 HydrophobicContact CD1-CB 3.84Å; F523-I528 HydrophobicContact CD1-CG2 3.67Å; F523-I528 HydrophobicContact CE1-CG2 4.05Å; F523-I528 PolarHBondContact O-N 2.89Å; F523-I536 HydrophobicContact CE1-CD1 3.89Å; F523-I536 HydrophobicContact CZ-CD1 3.89Å; F523-F541 HydrophobicContact CE1-CZ 4.31Å; F523-F541 HydrophobicContact CZ-CE1 4.05Å; F523-F541 AromaticContact CZ-CZ 3.63Å; F523-F541 HydrophobicContact CZ-CZ 3.63Å
524	Q	92.5	Very high	92.9	Very high	143 Å²	143	59.3 Å²	59.3	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-66.6	-48.2	179.8	-67.2	175.4	0.6	0	0	111.9	V520 A521 W522 N526 K527	V520-Q524 WeakPolarHBondContact O-CG 3.3Å; V520-Q524 PolarHBondContact O-N 3.17Å; A521-Q524 PolarHBondContact O-N 2.92Å; W522-Q524 VanDerWaalsContact C-N 3.32Å; W522-Q524 PolarHBondContact O-N 3.44Å; Q524-N526 VanDerWaalsContact C-N 3.31Å; Q524-N526 PolarHBondContact O-N 2.87Å; Q524-K527 PolarHBondContact O-N 2.84Å; Q524-K527 VanDerWaalsContact O-N 3.14Å
525	Q	95.5	Very high	92.9	Very high	147 Å²	147	60.9 Å²	60.9	69%	0.687	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-39.7	-179.6	-73.3	167.9	16.8	0	0	111.9	A521 W522 K527	A521-Q525 WeakPolarHBondContact O-CB 3.47Å; A521-Q525 WeakPolarHBondContact O-CG 3.3Å; A521-Q525 PolarHBondContact O-N 2.81Å; W522-Q525 PolarHBondContact O-N 3.43Å; Q525-K527 VanDerWaalsContact C-N 3.34Å
526	N	94.1	Very high	93	Very high	86 Å²	86	58.9 Å²	58.9	46%	0.46	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.1	179.8	-64.8	-80.9	0	0	0	113.3	W522 Q524 I528	W522-N526 VanDerWaalsContact CD1-ND2 3.25Å; W522-N526 PolarHBondContact NE1-ND2 2.91Å; W522-N526 WeakPolarHBondContact O-CB 3.48Å; W522-N526 PolarHBondContact O-N 3.17Å; W522-N526 PolarHBondContact O-ND2 2.93Å; Q524-N526 VanDerWaalsContact C-N 3.31Å; Q524-N526 PolarHBondContact O-N 2.87Å; N526-I528 HydrophobicContact CB-CD1 3.73Å; N526-I528 HydrophobicContact CB-CG1 3.83Å; N526-I528 PolarHBondContact O-N 2.85Å
527	K	93.6	Very high	93.4	Very high	181 Å²	181	57.1 Å²	57.1	79%	0.787	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.5	-179.3	-55.3	179.1	-177.5	178.1	0	113.1	F523 Q524 Q525 V529	F523-K527 WeakPolarHBondContact O-CA 3.35Å; F523-K527 PolarHBondContact O-N 2.84Å; Q524-K527 PolarHBondContact O-N 2.84Å; Q524-K527 VanDerWaalsContact O-N 3.14Å; Q525-K527 VanDerWaalsContact C-N 3.34Å; K527-V529 PolarHBondContact O-N 3.33Å
528	I	93.6	Very high	93.8	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.067	29%	0.289	C	S	.	.			trans	-83.1	112.5	-179	-62.6	170.3	0	0	0	108.6	W522 F523 N526 G530	W522-I528 HydrophobicContact CD2-CD1 4.48Å; W522-I528 HydrophobicContact CE3-CD1 3.88Å; W522-I528 HydrophobicContact CH2-CD1 3.16Å; W522-I528 HydrophobicContact CZ2-CD1 3.84Å; W522-I528 HydrophobicContact CZ3-CD1 3.18Å; F523-I528 HydrophobicContact CD1-CB 3.84Å; F523-I528 HydrophobicContact CD1-CG2 3.67Å; F523-I528 HydrophobicContact CE1-CG2 4.05Å; F523-I528 PolarHBondContact O-N 2.89Å; N526-I528 HydrophobicContact CB-CD1 3.73Å; N526-I528 HydrophobicContact CB-CG1 3.83Å; N526-I528 PolarHBondContact O-N 2.85Å; I528-G530 WeakPolarHBondContact CG2-O 3.27Å
529	V	92.9	Very high	94.3	Very high	72 Å²	72	53.1 Å²	53.1	44%	0.436	28%	0.276	S	S	.	.			trans	-87	-22.3	-176.9	-63.2	0	0	0	0	113.3	Y203 K527	Y203-V529 HydrophobicContact CD1-CG2 4.43Å; Y203-V529 HydrophobicContact CG-CG2 4.08Å; K527-V529 PolarHBondContact O-N 3.33Å
530	G	95.6	Very high	94.7	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-168	164.7	-177.7	0	0	0	0	0	112.2	Y203 I528	Y203-G530 WeakPolarHBondContact CE2-O 3.38Å; I528-G530 WeakPolarHBondContact CG2-O 3.27Å
531	C	97.3	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-111.8	158.3	168.9	-63	0	0	0	0	109.6	Y201 Y203 F491 I536 S538 D539	Y201-C531 WeakPolarHBondContact CD1-O 3.34Å; Y201-C531 WeakPolarHBondContact CE1-O 3.45Å; Y203-C531 PolarHBondContact OH-O 3.39Å; F491-C531 WeakPolarHBondContact O-CB 3.44Å; F491-C531 PolarHBondContact O-N 3.38Å; C531-I536 HydrophobicContact CB-CG2 4.14Å; C531-I536 VanDerWaalsContact SG-CD1 3.58Å; C531-S538 WeakPolarHBondContact CB-O 3.12Å; C531-D539 WeakPolarHBondContact O-CB 3.15Å
532	P	97.8	Very high	95.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.225	C	C	.	.	S	Bend	cis	-61.5	152.8	-1.3	-20.2	33	0	0	0	113.3	L191 Y201 C204 L209 I536	L191-P532 HydrophobicContact CD2-CG 3.39Å; Y201-P532 HydrophobicContact CD1-CG 4.47Å; C204-P532 WeakPolarHBondContact CB-O 3.31Å; C204-P532 PolarHBondContact SG-O 3.06Å; L209-P532 HydrophobicContact CD1-CG 4.31Å; P532-I536 CarbonylContact C-O 3.48Å; P532-I536 VanDerWaalsContact CA-O 3.25Å; P532-I536 WeakPolarHBondContact CA-O 3.41Å
533	H	95.9	Very high	95.8	Very high	52 Å²	52	41.5 Å²	41.5	24%	0.241	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-137.2	156.2	178.6	-179.9	-96.4	0	0	0	107.6	S535 I536	H533-S535 PolarHBondContact ND1-N 2.9Å; H533-S535 PolarHBondContact O-N 3.42Å; H533-I536 HydrophobicContact CB-CB 4.4Å; H533-I536 PolarHBondContact N-O 3.3Å; H533-I536 CarbonylContact O-C 3.24Å; H533-I536 VanDerWaalsContact O-C 3.24Å; H533-I536 PolarHBondContact O-N 3.29Å
534	P	95.1	Very high	96.1	Very high	27 Å²	27	42 Å²	42	18%	0.175	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44	-33.1	175	-36.1	37.4	0	0	0	116	P205 W207 A208 Y213	P205-P534 HydrophobicContact CG-CG 4.31Å; W207-P534 HydrophobicContact CH2-CB 3.77Å; W207-P534 HydrophobicContact CH2-CG 4Å; W207-P534 HydrophobicContact CZ2-CB 4.21Å; W207-P534 HydrophobicContact CZ2-CG 3.95Å; A208-P534 HydrophobicContact CB-CB 4.32Å; A208-P534 HydrophobicContact CB-CG 3.83Å; Y213-P534 PolarHBondContact OH-O 3.44Å
535	S	94	Very high	96.3	Very high	84 Å²	84	35.2 Å²	35.2	59%	0.587	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.4	177.9	-49.1	0	0	0	0	114.9	H533	H533-S535 PolarHBondContact ND1-N 2.9Å; H533-S535 PolarHBondContact O-N 3.42Å
536	I	96.5	Very high	96.3	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.077	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-135.8	100.6	-175.3	-57.7	166.3	0	0	0	107.8	W522 F523 C531 P532 H533 S538 F541	W522-I536 HydrophobicContact CH2-CD1 3.98Å; W522-I536 HydrophobicContact CH2-CG1 4.48Å; W522-I536 HydrophobicContact CZ3-CD1 3.62Å; F523-I536 HydrophobicContact CE1-CD1 3.89Å; F523-I536 HydrophobicContact CZ-CD1 3.89Å; C531-I536 HydrophobicContact CB-CG2 4.14Å; C531-I536 VanDerWaalsContact SG-CD1 3.58Å; P532-I536 CarbonylContact C-O 3.48Å; P532-I536 VanDerWaalsContact CA-O 3.25Å; P532-I536 WeakPolarHBondContact CA-O 3.41Å; H533-I536 HydrophobicContact CB-CB 4.4Å; H533-I536 PolarHBondContact N-O 3.3Å; H533-I536 CarbonylContact O-C 3.24Å; H533-I536 VanDerWaalsContact O-C 3.24Å; H533-I536 PolarHBondContact O-N 3.29Å; I536-S538 VanDerWaalsContact C-N 3.32Å; I536-S538 WeakPolarHBondContact CG2-O 3.25Å; I536-S538 PolarHBondContact O-N 2.78Å; I536-F541 HydrophobicContact CD1-CE1 3.85Å; I536-F541 HydrophobicContact CD1-CZ 4.26Å; I536-F541 HydrophobicContact CG1-CE1 4.42Å; I536-F541 HydrophobicContact CG2-CD1 4.36Å; I536-F541 HydrophobicContact CG2-CZ 4.29Å; I536-F541 HydrophobicContact CG2-CE1 3.77Å
537	P	97.4	Very high	96.2	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.032	15%	0.145	C	C	.	.			trans	-80.8	-5.1	-165.6	33.1	-38.4	0	0	0	115.2	R214 A217 I218	R214-P537 HydrophobicContact CB-CB 3.97Å; R214-P537 WeakPolarHBondContact CD-O 3.37Å; R214-P537 HydrophobicContact CG-CB 4.24Å; R214-P537 PolarHBondContact NH1-O 3.01Å; A217-P537 HydrophobicContact CB-CB 3.78Å; A217-P537 HydrophobicContact CB-CG 3.83Å; I218-P537 HydrophobicContact CD1-CB 4.33Å; I218-P537 HydrophobicContact CD1-CG 4.45Å; I218-P537 HydrophobicContact CG1-CB 3.8Å; I218-P537 HydrophobicContact CG1-CG 3.49Å; I218-P537 VanDerWaalsContact CG1-CG 3.49Å
538	S	98.2	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-125.5	158.7	173.7	-176	0	0	0	0	108.7	N189 C531 I536 H540	N189-S538 PolarHBondContact O-OG 2.69Å; C531-S538 WeakPolarHBondContact CB-O 3.12Å; I536-S538 VanDerWaalsContact C-N 3.32Å; I536-S538 WeakPolarHBondContact CG2-O 3.25Å; I536-S538 PolarHBondContact O-N 2.78Å; S538-H540 WeakPolarHBondContact CB-O 3.48Å; S538-H540 PolarHBondContact OG-N 2.94Å; S538-H540 VanDerWaalsContact OG-N 3.1Å
539	D	97.6	Very high	95.3	Very high	9 Å²	9	19.4 Å²	19.4	5%	0.048	11%	0.112	C	C	.	.	S	Bend	trans	-77.7	-9.5	163.9	56.7	-21.7	0	0	0	112.7	Y201 N490 F491 T492 C531	Y201-D539 HydrophobicContact CE1-CB 4.02Å; Y201-D539 PolarHBondContact OH-OD2 3.13Å; N490-D539 CarbonylContact C-O 3.6Å; N490-D539 VanDerWaalsContact CA-O 3.26Å; N490-D539 WeakPolarHBondContact CA-O 3.46Å; N490-D539 PolarHBondContact ND2-OD2 3.19Å; F491-D539 PolarHBondContact N-O 2.97Å; T492-D539 HydrophobicContact CG2-CB 3.74Å; C531-D539 WeakPolarHBondContact O-CB 3.15Å
540	H	98.1	Very high	94.7	Very high	9 Å²	9	16.3 Å²	16.3	4%	0.042	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-96.9	151.8	168.9	-63	-110.5	0	0	0	112	Y188 N189 D424 T489 N490 D500 S538	Y188-H540 WeakPolarHBondContact CE2-O 3.39Å; N189-H540 HydrophobicContact CB-CB 4.01Å; D424-H540 IonicContact OD2-CE1 2.75Å; D424-H540 PolarHBondContact OD2-CE1 3.04Å; T489-H540 CarbonylContact O-C 3.59Å; T489-H540 WeakPolarHBondContact O-CA 3.41Å; N490-H540 PolarHBondContact ND2-CD2 3.4Å; N490-H540 VanDerWaalsContact ND2-CD2 3.34Å; N490-H540 PolarHBondContact ND2-CE1 3.06Å; N490-H540 PolarHBondContact ND2-NE2 3.44Å; D500-H540 IonicContact OD1-CE1 3.72Å; D500-H540 IonicContact OD1-ND1 3.95Å; D500-H540 PolarHBondContact OD1-ND1 3.45Å; D500-H540 IonicContact OD2-CE1 2.81Å; D500-H540 IonicContact OD2-CG 3.83Å; D500-H540 IonicContact OD2-ND1 3.49Å; D500-H540 PolarHBondContact OD2-ND1 3.03Å; S538-H540 WeakPolarHBondContact CB-O 3.48Å; S538-H540 PolarHBondContact OG-N 2.94Å; S538-H540 VanDerWaalsContact OG-N 3.1Å
541	F	97.4	Very high	93.3	Very high	10 Å²	10	20.5 Å²	20.5	4%	0.044	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-103.5	140.4	172.8	-63.7	-82.8	0	0	0	110.5	F488 T489 F491 V518 F523 I536 L543	F488-F541 AromaticContact CD2-CD2 3.88Å; F488-F541 HydrophobicContact CD2-CD2 3.88Å; F488-F541 AromaticContact CD2-CE2 3.56Å; F488-F541 HydrophobicContact CD2-CE2 3.56Å; F488-F541 HydrophobicContact CD2-CZ 4.41Å; F488-F541 HydrophobicContact CE2-CD2 4.08Å; F488-F541 AromaticContact CE2-CE2 3.53Å; F488-F541 HydrophobicContact CE2-CE2 3.53Å; F488-F541 AromaticContact CE2-CZ 3.93Å; F488-F541 HydrophobicContact CE2-CZ 3.93Å; T489-F541 WeakPolarHBondContact O-CD2 3.31Å; T489-F541 PolarHBondContact O-N 2.76Å; F491-F541 HydrophobicContact CB-CE2 3.6Å; F491-F541 HydrophobicContact CB-CZ 4.14Å; V518-F541 HydrophobicContact CB-CE1 4.45Å; V518-F541 HydrophobicContact CG2-CD1 3.95Å; V518-F541 HydrophobicContact CG2-CE1 3.83Å; F523-F541 HydrophobicContact CE1-CZ 4.31Å; F523-F541 HydrophobicContact CZ-CE1 4.05Å; F523-F541 AromaticContact CZ-CZ 3.63Å; F523-F541 HydrophobicContact CZ-CZ 3.63Å; I536-F541 HydrophobicContact CD1-CE1 3.85Å; I536-F541 HydrophobicContact CD1-CZ 4.26Å; I536-F541 HydrophobicContact CG1-CE1 4.42Å; I536-F541 HydrophobicContact CG2-CD1 4.36Å; I536-F541 HydrophobicContact CG2-CZ 4.29Å; I536-F541 HydrophobicContact CG2-CE1 3.77Å; F541-L543 PolarHBondContact O-N 3.31Å
542	P	97.5	Very high	92	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.039	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-66.9	132	173.7	28.6	-33.6	0	0	0	110.4	M186 C187 Y188 E221	M186-P542 HydrophobicContact CE-CB 4.31Å; M186-P542 HydrophobicContact CG-CB 4.28Å; M186-P542 HydrophobicContact SD-CB 4.3Å; C187-P542 WeakPolarHBondContact O-CA 3.18Å; Y188-P542 HydrophobicContact CD1-CB 3.89Å; Y188-P542 HydrophobicContact CD1-CG 4.5Å; Y188-P542 HydrophobicContact CD2-CB 4.22Å; Y188-P542 HydrophobicContact CE1-CB 4.19Å; Y188-P542 HydrophobicContact CE1-CG 4.3Å; Y188-P542 HydrophobicContact CG-CB 3.88Å; E221-P542 HydrophobicContact CG-CG 4.3Å; E221-P542 VanDerWaalsContact OE1-CG 3.22Å; E221-P542 WeakPolarHBondContact OE1-CG 3.24Å
543	L	98.4	Very high	90.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135	164.7	-60.2	-174.3	0	0	0	108.4	M186 C187 Y481 M486 T489 D500 V502 F541	M186-L543 CarbonylContact C-O 3.52Å; M186-L543 WeakPolarHBondContact CA-O 3.17Å; C187-L543 HydrophobicContact CB-CB 4.27Å; C187-L543 PolarHBondContact N-O 3.37Å; C187-L543 PolarHBondContact O-N 3.43Å; Y481-L543 HydrophobicContact CD2-CB 4.41Å; Y481-L543 HydrophobicContact CD2-CD1 4.13Å; Y481-L543 HydrophobicContact CD2-CD2 4.06Å; Y481-L543 HydrophobicContact CD2-CG 4.44Å; Y481-L543 HydrophobicContact CE1-CD2 4.44Å; Y481-L543 HydrophobicContact CE2-CB 3.73Å; Y481-L543 HydrophobicContact CE2-CD1 4.29Å; Y481-L543 HydrophobicContact CE2-CD2 3.83Å; Y481-L543 HydrophobicContact CE2-CG 4.16Å; Y481-L543 HydrophobicContact CG-CD2 4.46Å; M486-L543 HydrophobicContact CE-CD2 3.83Å; M486-L543 HydrophobicContact CG-CD2 4.07Å; T489-L543 HydrophobicContact CG2-CD1 4.44Å; T489-L543 HydrophobicContact CG2-CD2 3.86Å; T489-L543 HydrophobicContact CG2-CG 4.49Å; D500-L543 HydrophobicContact CB-CD1 4.18Å; D500-L543 WeakPolarHBondContact O-CD1 3.35Å; V502-L543 HydrophobicContact CG2-CB 4Å; V502-L543 HydrophobicContact CG2-CD1 4.08Å; F541-L543 PolarHBondContact O-N 3.31Å
544	L	98.3	Very high	89.4	Confident	20 Å²	20	22.2 Å²	22.2	11%	0.105	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	116.1	177.5	-179.4	73	0	0	0	109.9	V185 M186 H225 P227 Y481 L515	V185-L544 WeakPolarHBondContact O-CA 3.2Å; M186-L544 HydrophobicContact CB-CD1 4.07Å; M186-L544 HydrophobicContact CE-CD1 4.24Å; H225-L544 HydrophobicContact CB-CD2 3.93Å; P227-L544 HydrophobicContact CB-CD1 3.83Å; Y481-L544 PolarHBondContact OH-N 2.86Å; Y481-L544 PolarHBondContact OH-O 3.16Å; L515-L544 HydrophobicContact CB-CB 3.73Å; L515-L544 HydrophobicContact CB-CD2 4.37Å; L515-L544 HydrophobicContact CD2-CB 4.02Å; L515-L544 HydrophobicContact CD2-CD2 4.45Å; L515-L544 PolarHBondContact N-O 3.47Å
545	V	98	Very high	87.7	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	-175.9	-169.5	0	0	0	0	109.6	T184 V185 A480 Y481 V502 K511 L514 Y547	T184-V545 CarbonylContact C-O 3.19Å; T184-V545 VanDerWaalsContact CA-O 3.26Å; T184-V545 WeakPolarHBondContact CA-O 3.17Å; V185-V545 PolarHBondContact N-O 2.94Å; V185-V545 PolarHBondContact O-N 3.36Å; A480-V545 HydrophobicContact CB-CB 4.45Å; A480-V545 HydrophobicContact CB-CG1 4.04Å; A480-V545 HydrophobicContact CB-CG2 3.59Å; Y481-V545 HydrophobicContact CD2-CG2 4.29Å; Y481-V545 HydrophobicContact CE2-CG2 3.59Å; V502-V545 HydrophobicContact CB-CG2 4.02Å; V502-V545 HydrophobicContact CG1-CG2 3.96Å; V502-V545 HydrophobicContact CG2-CG2 4.15Å; K511-V545 HydrophobicContact CG-CG1 4.21Å; L514-V545 HydrophobicContact CD2-CB 4.05Å; L514-V545 HydrophobicContact CD2-CG1 3.65Å; L514-V545 HydrophobicContact CD2-CG2 3.7Å; V545-Y547 HydrophobicContact CG1-CD2 3.79Å; V545-Y547 HydrophobicContact CG2-CE2 4.46Å; V545-Y547 VanDerWaalsContact CG1-CZ 3.42Å; V545-Y547 HydrophobicContact CG1-CG 4.33Å; V545-Y547 HydrophobicContact CG1-CE2 3.31Å; V545-Y547 HydrophobicContact CG1-CE1 4Å; V545-Y547 HydrophobicContact CG1-CD1 4.42Å; V545-Y547 HydrophobicContact CB-CE2 3.7Å; V545-Y547 HydrophobicContact CB-CD2 4.19Å
546	E	94.1	Very high	85.9	Confident	65 Å²	65	24.8 Å²	24.8	30%	0.304	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.3	168	-170.6	176.8	-160.6	0	0	109.6	T182 F183 T184 V512 G513	T182-E546 PolarHBondContact OG1-OE1 3.39Å; F183-E546 WeakPolarHBondContact O-CA 3.43Å; T184-E546 HydrophobicContact CG2-CB 4.03Å; T184-E546 HydrophobicContact CG2-CG 4.09Å; V512-E546 HydrophobicContact CB-CB 4.24Å; V512-E546 HydrophobicContact CB-CG 4.03Å; V512-E546 HydrophobicContact CG1-CG 4.36Å; V512-E546 PolarHBondContact N-O 3.24Å; G513-E546 PolarHBondContact N-O 3.07Å; G513-E546 PolarHBondContact O-N 2.91Å
547	Y	92	Very high	83.6	Confident	6 Å²	6	33.4 Å²	33.4	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.7	176.2	-74.1	-70.6	0	0	0	110.8	T182 F183 V185 I420 A480 V502 A504 L509 I510 K511 V545	T182-Y547 CarbonylContact C-O 3.56Å; T182-Y547 WeakPolarHBondContact CA-O 3.41Å; F183-Y547 PolarHBondContact N-O 2.65Å; F183-Y547 PolarHBondContact O-N 3.08Å; V185-Y547 HydrophobicContact CG2-CD2 4.31Å; I420-Y547 HydrophobicContact CD1-CD2 4.18Å; I420-Y547 HydrophobicContact CD1-CE2 4.38Å; A480-Y547 WeakPolarHBondContact CB-OH 3.11Å; V502-Y547 HydrophobicContact CG1-CE2 4.17Å; A504-Y547 HydrophobicContact CB-CE1 3.82Å; A504-Y547 HydrophobicContact CB-CE2 4.21Å; A504-Y547 WeakPolarHBondContact CB-OH 3.11Å; L509-Y547 HydrophobicContact CB-CD1 3.93Å; L509-Y547 HydrophobicContact CB-CE1 4.45Å; L509-Y547 HydrophobicContact CB-CG 4.35Å; I510-Y547 CarbonylContact O-C 3.48Å; I510-Y547 WeakPolarHBondContact O-CA 3.41Å; K511-Y547 HydrophobicContact CB-CD1 4.27Å; K511-Y547 HydrophobicContact CB-CE1 3.95Å; K511-Y547 HydrophobicContact CG-CE1 4.42Å; V545-Y547 HydrophobicContact CG1-CD2 3.79Å; V545-Y547 HydrophobicContact CG2-CE2 4.46Å; V545-Y547 VanDerWaalsContact CG1-CZ 3.42Å; V545-Y547 HydrophobicContact CG1-CG 4.33Å; V545-Y547 HydrophobicContact CG1-CE2 3.31Å; V545-Y547 HydrophobicContact CG1-CE1 4Å; V545-Y547 HydrophobicContact CG1-CD1 4.42Å; V545-Y547 HydrophobicContact CB-CE2 3.7Å; V545-Y547 HydrophobicContact CB-CD2 4.19Å
548	A	85.2	Confident	81.2	Confident	16 Å²	16	36.9 Å²	36.9	13%	0.132	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.6	164.1	0	0	0	0	0	109.9	A181 T182 L509 I510 V512 A550	A181-A548 CarbonylContact O-C 3.37Å; A181-A548 VanDerWaalsContact O-CA 3.27Å; A181-A548 WeakPolarHBondContact O-CA 3.23Å; T182-A548 HydrophobicContact CG2-CB 3.8Å; L509-A548 CarbonylContact C-O 3.56Å; L509-A548 WeakPolarHBondContact CA-O 3.44Å; I510-A548 HydrophobicContact CB-CB 4.38Å; I510-A548 PolarHBondContact N-O 3.22Å; I510-A548 PolarHBondContact O-N 2.72Å; V512-A548 HydrophobicContact CG2-CB 3.75Å; A548-A550 PolarHBondContact O-N 3.19Å
549	F	83.8	Confident	78.6	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.6	166.7	-71.7	-83.2	0	0	0	110.4	A181 F183 F303 L345 V369 L371 P418 L509 V553 L554	A181-F549 WeakPolarHBondContact O-CD2 3.33Å; A181-F549 PolarHBondContact O-N 2.77Å; F183-F549 HydrophobicContact CD1-CD2 4.05Å; F183-F549 AromaticContact CD1-CE2 3.52Å; F183-F549 HydrophobicContact CD1-CE2 3.52Å; F183-F549 HydrophobicContact CD1-CZ 4.18Å; F183-F549 AromaticContact CE1-CD2 3.87Å; F183-F549 HydrophobicContact CE1-CD2 3.87Å; F183-F549 HydrophobicContact CE1-CE1 4.28Å; F183-F549 AromaticContact CE1-CE2 3.33Å; F183-F549 HydrophobicContact CE1-CE2 3.33Å; F183-F549 AromaticContact CE1-CZ 3.58Å; F183-F549 HydrophobicContact CE1-CZ 3.58Å; F183-F549 HydrophobicContact CZ-CE2 4.24Å; F183-F549 HydrophobicContact CZ-CZ 4.08Å; F303-F549 HydrophobicContact CE1-CZ 4.46Å; L345-F549 HydrophobicContact CD1-CE2 4.36Å; L345-F549 HydrophobicContact CD2-CD2 3.94Å; L345-F549 HydrophobicContact CD2-CE2 3.69Å; L345-F549 HydrophobicContact CD2-CZ 4.26Å; L345-F549 HydrophobicContact CG-CE2 4.47Å; V369-F549 HydrophobicContact CG1-CD1 4.11Å; V369-F549 HydrophobicContact CG1-CE1 3.9Å; L371-F549 HydrophobicContact CB-CZ 4.38Å; L371-F549 HydrophobicContact CD1-CE1 4.36Å; L371-F549 HydrophobicContact CD1-CZ 4.49Å; L371-F549 HydrophobicContact CD2-CZ 4.36Å; P418-F549 HydrophobicContact CB-CE1 4.25Å; P418-F549 HydrophobicContact CG-CD1 4.27Å; P418-F549 HydrophobicContact CG-CE1 3.83Å; L509-F549 HydrophobicContact CD2-CD1 3.84Å; L509-F549 HydrophobicContact CD2-CE1 3.93Å; L509-F549 HydrophobicContact CD2-CG 4.4Å; F549-V553 HydrophobicContact CD1-CG1 4.33Å; F549-L554 HydrophobicContact CG-CD2 4.39Å; F549-L554 HydrophobicContact CB-CG 4Å; F549-L554 HydrophobicContact CB-CD1 4.29Å; F549-L554 HydrophobicContact CB-CD2 3.78Å
550	A	79.4	Confident	75.8	Confident	6 Å²	6	50.4 Å²	50.4	5%	0.05	28%	0.279	C	S	.	.			trans	-66	147.9	174.6	0	0	0	0	0	110.8	R507 T508 I510 A548 S552 V553 L554	R507-A550 VanDerWaalsContact O-CB 3.28Å; R507-A550 WeakPolarHBondContact O-CB 3.42Å; T508-A550 WeakPolarHBondContact O-CB 3.4Å; T508-A550 PolarHBondContact O-N 2.78Å; I510-A550 HydrophobicContact CD1-CB 4.23Å; I510-A550 HydrophobicContact CG1-CB 4.25Å; A548-A550 PolarHBondContact O-N 3.19Å; A550-S552 PolarHBondContact O-N 3.14Å; A550-S552 VanDerWaalsContact O-N 3.17Å; A550-V553 HydrophobicContact CB-CG2 4.42Å; A550-V553 WeakPolarHBondContact O-CB 3.29Å; A550-V553 PolarHBondContact O-N 3.17Å; A550-L554 PolarHBondContact O-N 2.93Å
551	S	68.2	Low	73	Confident	91 Å²	91	54.9 Å²	54.9	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-58.9	-30.1	179.9	56	0	0	0	0	113.2	V553 L554 T555	S551-V553 PolarHBondContact O-N 3.25Å; S551-L554 PolarHBondContact O-N 2.84Å; S551-T555 VanDerWaalsContact O-CG2 3.31Å; S551-T555 PolarHBondContact O-OG1 3.42Å; S551-T555 PolarHBondContact O-N 2.94Å; S551-T555 WeakPolarHBondContact O-CG2 3.17Å; S551-T555 WeakPolarHBondContact O-CB 3.49Å
552	S	69.5	Low	70.2	Confident	46 Å²	46	64 Å²	64	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-28.8	174.2	51.8	0	0	0	0	113.4	A550 Q556	A550-S552 PolarHBondContact O-N 3.14Å; A550-S552 VanDerWaalsContact O-N 3.17Å; S552-Q556 WeakPolarHBondContact O-CG 3.37Å; S552-Q556 PolarHBondContact O-NE2 3Å
553	V	73	Confident	68.8	Low	2 Å²	2	66.9 Å²	66.9	1%	0.012	39%	0.388	C	S	.	.	H	α-helix	trans	-83.6	-40.8	177.7	-174.3	0	0	0	0	110.3	V369 M412 P418 T508 F549 A550 S551	V369-V553 HydrophobicContact CB-CG1 4.36Å; V369-V553 HydrophobicContact CG1-CG1 3.36Å; V369-V553 HydrophobicContact CG2-CG1 4.02Å; M412-V553 HydrophobicContact CE-CG1 4.37Å; P418-V553 HydrophobicContact CG-CG1 4.45Å; T508-V553 HydrophobicContact CG2-CG2 3.8Å; F549-V553 HydrophobicContact CD1-CG1 4.33Å; A550-V553 HydrophobicContact CB-CG2 4.42Å; A550-V553 WeakPolarHBondContact O-CB 3.29Å; A550-V553 PolarHBondContact O-N 3.17Å; S551-V553 PolarHBondContact O-N 3.25Å
554	L	66.4	Low	67.3	Low	40 Å²	40	70.3 Å²	70.3	21%	0.209	41%	0.408	C	S	.	.	H	α-helix	trans	-73.5	-28.4	-176.6	-59.8	177.4	0	0	0	113.7	A181 L367 F549 A550 S551	A181-L554 HydrophobicContact CB-CD1 3.86Å; L367-L554 HydrophobicContact CD1-CD2 4.25Å; L367-L554 HydrophobicContact CD2-CD2 3.43Å; L367-L554 VanDerWaalsContact CD2-CD2 3.43Å; L367-L554 HydrophobicContact CG-CD2 4.45Å; F549-L554 HydrophobicContact CG-CD2 4.39Å; F549-L554 HydrophobicContact CB-CG 4Å; F549-L554 HydrophobicContact CB-CD1 4.29Å; F549-L554 HydrophobicContact CB-CD2 3.78Å; A550-L554 PolarHBondContact O-N 2.93Å; S551-L554 PolarHBondContact O-N 2.84Å
555	T	58.1	Low	65.5	Low	106 Å²	106	73.1 Å²	73.1	65%	0.65	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.4	-176	52.9	0	0	0	0	114.1	S551 K557	S551-T555 VanDerWaalsContact O-CG2 3.31Å; S551-T555 PolarHBondContact O-OG1 3.42Å; S551-T555 PolarHBondContact O-N 2.94Å; S551-T555 WeakPolarHBondContact O-CG2 3.17Å; S551-T555 WeakPolarHBondContact O-CB 3.49Å; T555-K557 PolarHBondContact O-N 2.89Å; T555-K557 VanDerWaalsContact O-N 3.09Å
556	Q	56.5	Low	63.6	Low	59 Å²	59	77.4 Å²	77.4	28%	0.276	45%	0.449	S	S	.	.			trans	-67.2	113.6	178	-53.5	-157.6	-4.3	0	0	109	D416 S552 A558	D416-Q556 VanDerWaalsContact CB-NE2 3.33Å; D416-Q556 PolarHBondContact OD2-NE2 3.33Å; S552-Q556 WeakPolarHBondContact O-CG 3.37Å; S552-Q556 PolarHBondContact O-NE2 3Å; Q556-A558 PolarHBondContact O-N 3.48Å
557	K	47.5	Very low	61.7	Low	196 Å²	196	78.2 Å²	78.2	85%	0.852	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-58.8	128.6	174.2	-76.8	-178.3	178.2	176.1	0	107.7	T555	T555-K557 PolarHBondContact O-N 2.89Å; T555-K557 VanDerWaalsContact O-N 3.09Å
558	A	48	Very low	59.7	Low	78 Å²	78	83 Å²	83	65%	0.645	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-48.3	138.3	165.4	0	0	0	0	0	108.6	Q556 K560	Q556-A558 PolarHBondContact O-N 3.48Å; A558-K560 PolarHBondContact O-N 2.97Å
559	P	44.2	Very low	57.9	Low	92 Å²	92	87.8 Å²	87.8	60%	0.597	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-50.7	134.6	175.1	18.7	-29.4	0	0	0	108.3	S561	P559-S561 PolarHBondContact O-N 3.34Å
560	K	38.9	Very low	55.9	Low	202 Å²	202	93.9 Å²	93.9	88%	0.878	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-55.2	120	165.6	-73.7	-176.7	176.1	-177.7	0	105.4	A558	A558-K560 PolarHBondContact O-N 2.97Å
561	S	38.1	Very low	53.9	Low	103 Å²	103	101.3 Å²	101.3	72%	0.72	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-49.5	135.8	168.6	51.5	0	0	0	0	108	P559	P559-S561 PolarHBondContact O-N 3.34Å
562	P	39	Very low	52.6	Low	200 Å²	200	102.2 Å²	102.2	100%	1.299	59%	0.587	S	S	*	*			trans	-54.2	0	-178.3	21.3	-31.8	0	0	0	112.8

Retrieved 562 of 562 residues in 1365.9 ms (Link to these results)

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