A0A087WR26_MOUSE Loading...

Pleckstrin homology domain interacting protein

AlphaFold DB , UniProt , Accession A0A087WR26, Species MOUSE (Mus musculus, Mouse), Gene Phip, Length 360 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	47	Very low	63.2	Low	186 Å²	186	136.6 Å²	136.6	92%	0.916	65%	0.647	S	S	*	*				0	-47.2	0	-75.6	-164.7	-155	0	0	113.4	K3 Y4 Y5	M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.49Å; M1-Y4 PolarHBondContact O-N 3.47Å; M1-Y5 PolarHBondContact O-N 3.44Å
2	V	47	Very low	64.4	Low	94 Å²	94	132 Å²	132	57%	0.57	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-29.3	-177.2	-176.5	0	0	0	0	114.1	Y4	V2-Y4 VanDerWaalsContact C-N 3.33Å; V2-Y4 PolarHBondContact O-N 2.79Å
3	K	50.6	Low	64.8	Low	205 Å²	205	130.5 Å²	130.5	89%	0.891	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-18.5	175.4	-98	-177	174.8	-179.5	0	115.2	M1	M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.49Å
4	Y	52.6	Low	65.1	Low	206 Å²	206	128.4 Å²	128.4	81%	0.808	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	-18.2	-174.7	-85	-85.2	0	0	0	113.8	M1 V2	M1-Y4 PolarHBondContact O-N 3.47Å; V2-Y4 VanDerWaalsContact C-N 3.33Å; V2-Y4 PolarHBondContact O-N 2.79Å
5	Y	62.8	Low	65.9	Low	130 Å²	130	125.5 Å²	125.5	51%	0.51	60%	0.6	S	S	.	*			trans	-130.4	86.7	-177.7	-63.7	-73.3	0	0	0	110.8	M1 H7 L8	M1-Y5 PolarHBondContact O-N 3.44Å; Y5-H7 AromaticContact CD1-CE1 3.69Å; Y5-H7 PolarHBondContact O-N 3.13Å; Y5-H7 VanDerWaalsContact O-N 3.12Å; Y5-L8 PolarHBondContact O-N 3.49Å
6	R	64.4	Low	66.5	Low	247 Å²	247	121.7 Å²	121.7	93%	0.932	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-12.4	-175.8	-71	-175.7	179.5	177.4	0.1	115.1
7	H	75.6	Confident	66.8	Low	149 Å²	149	115.6 Å²	115.6	69%	0.69	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8.3	179.9	61.2	-92.1	0	0	0	113.7	Y5	Y5-H7 AromaticContact CD1-CE1 3.69Å; Y5-H7 PolarHBondContact O-N 3.13Å; Y5-H7 VanDerWaalsContact O-N 3.12Å
8	L	72.6	Confident	67	Low	54 Å²	54	114.7 Å²	114.7	28%	0.283	55%	0.551	S	S	.	*	S	Bend	trans	-98.1	121.3	179.8	-65.8	171.3	0	0	0	109.8	Y5	Y5-L8 PolarHBondContact O-N 3.49Å
9	A	76.5	Confident	67.5	Low	50 Å²	50	118.5 Å²	118.5	41%	0.413	56%	0.559	S	S	.	*			trans	-64.7	146.5	175.3	0	0	0	0	0	110.6	D11 H12	A9-D11 WeakPolarHBondContact CB-OD1 3.5Å; A9-D11 PolarHBondContact O-N 2.65Å; A9-D11 VanDerWaalsContact O-N 3.11Å; A9-H12 WeakPolarHBondContact O-CB 3.48Å; A9-H12 PolarHBondContact O-N 2.97Å
10	P	72.3	Confident	67.7	Low	115 Å²	115	116.9 Å²	116.9	75%	0.747	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-26.4	-178.6	-23.9	33.3	0	0	0	114.1
11	D	74.2	Confident	67.8	Low	67 Å²	67	111.8 Å²	111.8	36%	0.358	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	1	-179.8	67.1	-37.4	0	0	0	113.5	A9 L13 L14 Q15	A9-D11 WeakPolarHBondContact CB-OD1 3.5Å; A9-D11 PolarHBondContact O-N 2.65Å; A9-D11 VanDerWaalsContact O-N 3.11Å; D11-L13 VanDerWaalsContact C-N 3.28Å; D11-L13 PolarHBondContact O-N 3.03Å; D11-L14 WeakPolarHBondContact O-CA 3.12Å; D11-L14 WeakPolarHBondContact O-CB 3.22Å; D11-L14 PolarHBondContact O-N 2.85Å; D11-Q15 PolarHBondContact O-N 2.63Å; D11-Q15 PolarHBondContact OD2-NE2 3.03Å
12	H	77.7	Confident	69	Low	81 Å²	81	105.5 Å²	105.5	38%	0.375	51%	0.506	S	S	.	.	H	α-helix	trans	-57.7	-38.9	-174.8	-170.9	68.8	0	0	0	113.1	A9 Q15 I16	A9-H12 WeakPolarHBondContact O-CB 3.48Å; A9-H12 PolarHBondContact O-N 2.97Å; H12-Q15 PolarHBondContact O-N 3.39Å; H12-I16 WeakPolarHBondContact O-CG1 3.49Å; H12-I16 PolarHBondContact O-N 2.94Å; H12-I16 VanDerWaalsContact O-N 3.13Å
13	L	68.6	Low	70.1	Confident	112 Å²	112	106 Å²	106	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-38.4	175.4	-169	73.3	0	0	0	111.7	D11 I16 C17	D11-L13 VanDerWaalsContact C-N 3.28Å; D11-L13 PolarHBondContact O-N 3.03Å; L13-I16 PolarHBondContact O-N 3.4Å; L13-C17 PolarHBondContact O-N 2.67Å; L13-C17 PolarHBondContact O-SG 3.01Å
14	L	69.7	Low	70.7	Confident	101 Å²	101	99.6 Å²	99.6	53%	0.529	48%	0.48	S	S	.	.	H	α-helix	trans	-66.2	-40.5	177.7	-179.5	65.2	0	0	0	111.1	D11 I16 C17 H18	D11-L14 WeakPolarHBondContact O-CA 3.12Å; D11-L14 WeakPolarHBondContact O-CB 3.22Å; D11-L14 PolarHBondContact O-N 2.85Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 3.02Å; L14-C17 PolarHBondContact O-N 3.01Å; L14-H18 PolarHBondContact O-CD2 2.87Å; L14-H18 PolarHBondContact O-N 2.89Å
15	Q	76.6	Confident	71.1	Confident	85 Å²	85	93 Å²	93	40%	0.397	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-37.4	174.7	-66.3	-175.9	5.5	0	0	112.3	D11 H12 R19	D11-Q15 PolarHBondContact O-N 2.63Å; D11-Q15 PolarHBondContact OD2-NE2 3.03Å; H12-Q15 PolarHBondContact O-N 3.39Å; Q15-R19 WeakPolarHBondContact O-CG 3.4Å; Q15-R19 PolarHBondContact O-N 2.8Å
16	I	76.6	Confident	71.2	Confident	65 Å²	65	94.2 Å²	94.2	33%	0.333	47%	0.466	S	S	.	.	H	α-helix	trans	-66.1	-46.1	174	-68.4	168.4	0	0	0	110.6	H12 L13 L14 H18 R19 L20	H12-I16 WeakPolarHBondContact O-CG1 3.49Å; H12-I16 PolarHBondContact O-N 2.94Å; H12-I16 VanDerWaalsContact O-N 3.13Å; L13-I16 PolarHBondContact O-N 3.4Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 3.02Å; I16-H18 VanDerWaalsContact C-N 3.33Å; I16-H18 PolarHBondContact O-N 3.47Å; I16-R19 PolarHBondContact O-N 2.84Å; I16-L20 HydrophobicContact CG2-CD1 3.68Å; I16-L20 HydrophobicContact CG2-CG 4.46Å; I16-L20 PolarHBondContact O-N 3.45Å
17	C	70.3	Confident	71	Confident	18 Å²	18	90.1 Å²	90.1	12%	0.122	46%	0.458	C	S	.	.	H	α-helix	trans	-58	-43.3	176.4	-65.3	0	0	0	0	112.2	L13 L14 R19 G21 L38	L13-C17 PolarHBondContact O-N 2.67Å; L13-C17 PolarHBondContact O-SG 3.01Å; L14-C17 PolarHBondContact O-N 3.01Å; C17-R19 VanDerWaalsContact C-N 3.32Å; C17-R19 PolarHBondContact O-N 3Å; C17-G21 PolarHBondContact O-N 3.32Å; C17-L38 HydrophobicContact CB-CD1 4.22Å; C17-L38 VanDerWaalsContact SG-CD1 3.55Å
18	H	71.3	Confident	70	Confident	99 Å²	99	86.9 Å²	86.9	46%	0.458	45%	0.445	S	S	.	.	H	α-helix	trans	-65.6	-31.6	178.4	-90.1	-60.4	0	0	0	113.7	L14 I16 P22 Q36	L14-H18 PolarHBondContact O-CD2 2.87Å; L14-H18 PolarHBondContact O-N 2.89Å; I16-H18 VanDerWaalsContact C-N 3.33Å; I16-H18 PolarHBondContact O-N 3.47Å; H18-P22 WeakPolarHBondContact O-CD 3.27Å; H18-P22 WeakPolarHBondContact O-CG 3.04Å; H18-Q36 PolarHBondContact CE1-OE1 3.33Å; H18-Q36 PolarHBondContact ND1-OE1 3.24Å
19	R	75.8	Confident	69.2	Low	188 Å²	188	89.4 Å²	89.4	71%	0.709	46%	0.464	S	S	*	.	H	α-helix	trans	-82.3	-41.5	179	-71.2	179.6	-175.2	-173.5	3	112.7	Q15 I16 C17	Q15-R19 WeakPolarHBondContact O-CG 3.4Å; Q15-R19 PolarHBondContact O-N 2.8Å; I16-R19 PolarHBondContact O-N 2.84Å; C17-R19 VanDerWaalsContact C-N 3.32Å; C17-R19 PolarHBondContact O-N 3Å
20	L	72.4	Confident	68	Low	85 Å²	85	89.2 Å²	89.2	45%	0.445	46%	0.455	S	S	.	.	H	α-helix	trans	-83.7	-32.5	-176.1	-73	173.5	0	0	0	113.5	I16 L23 L24	I16-L20 HydrophobicContact CG2-CD1 3.68Å; I16-L20 HydrophobicContact CG2-CG 4.46Å; I16-L20 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-L24 HydrophobicContact CB-CD1 4.38Å; L20-L24 WeakPolarHBondContact O-CB 3.03Å; L20-L24 PolarHBondContact O-N 2.77Å
21	G	69.7	Low	67	Low	10 Å²	10	86.8 Å²	86.8	10%	0.103	44%	0.441	C	S	.	.	H	α-helix	trans	-54.3	-54.4	-177.8	0	0	0	0	0	113.6	C17 L23 L24 E25	C17-G21 PolarHBondContact O-N 3.32Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.78Å; G21-L24 PolarHBondContact O-N 3.12Å; G21-E25 WeakPolarHBondContact O-CB 3.46Å; G21-E25 WeakPolarHBondContact O-CG 3.36Å; G21-E25 PolarHBondContact O-N 3.27Å
22	P	71.5	Confident	66	Low	55 Å²	55	87.8 Å²	87.8	36%	0.357	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-34.5	-179.2	-24.3	34.6	0	0	0	114	H18 Q26	H18-P22 WeakPolarHBondContact O-CD 3.27Å; H18-P22 WeakPolarHBondContact O-CG 3.04Å; P22-Q26 PolarHBondContact O-N 3.43Å
23	L	70.8	Confident	64.8	Low	105 Å²	105	89.8 Å²	89.8	55%	0.55	47%	0.469	S	S	.	.	H	α-helix	trans	-71	-40.2	177.3	-65.4	174.4	0	0	0	111.4	L20 G21 E25 Q26	L20-L23 PolarHBondContact O-N 3.48Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.78Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-Q26 PolarHBondContact O-N 3.06Å
24	L	62.3	Low	64.2	Low	70 Å²	70	88 Å²	88	37%	0.366	48%	0.477	S	S	.	.	H	α-helix	trans	-68.3	-33.1	175	-80.5	163.7	0	0	0	112.6	L20 G21 Q26 E27 I28	L20-L24 HydrophobicContact CB-CD1 4.38Å; L20-L24 WeakPolarHBondContact O-CB 3.03Å; L20-L24 PolarHBondContact O-N 2.77Å; G21-L24 PolarHBondContact O-N 3.12Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 3.22Å; L24-E27 PolarHBondContact O-N 3.41Å; L24-I28 PolarHBondContact O-N 3.38Å
25	E	61.6	Low	63.5	Low	66 Å²	66	86.5 Å²	86.5	31%	0.308	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-28.5	176.3	-80.8	171.5	-137.6	0	0	113.4	G21 L23 Q30	G21-E25 WeakPolarHBondContact O-CB 3.46Å; G21-E25 WeakPolarHBondContact O-CG 3.36Å; G21-E25 PolarHBondContact O-N 3.27Å; L23-E25 VanDerWaalsContact C-N 3.33Å; E25-Q30 VanDerWaalsContact CD-CD 3.49Å; E25-Q30 VanDerWaalsContact CD-NE2 3.28Å; E25-Q30 HydrophobicContact CG-CG 3.79Å; E25-Q30 VanDerWaalsContact OE1-CD 3.22Å; E25-Q30 PolarHBondContact OE1-NE2 3.18Å
26	Q	64.1	Low	62.6	Low	156 Å²	156	86.7 Å²	86.7	73%	0.729	47%	0.473	S	S	*	.	H	α-helix	trans	-67.4	-36.1	175.6	-73.2	177.6	-3.9	0	0	112.3	P22 L23 L24	P22-Q26 PolarHBondContact O-N 3.43Å; L23-Q26 PolarHBondContact O-N 3.06Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 3.22Å
27	E	61.7	Low	61.8	Low	161 Å²	161	87.2 Å²	87.2	75%	0.752	48%	0.479	S	S	*	.	H	α-helix	trans	-89.7	-34.7	-179.6	-66.7	-64.3	151.4	0	0	112.5	L24	L24-E27 PolarHBondContact O-N 3.41Å
28	I	54.3	Low	61.2	Low	82 Å²	82	87.8 Å²	87.8	42%	0.421	48%	0.481	S	S	.	.	S	Bend	trans	-139.2	109.3	-177	-54.9	175	0	0	0	110.3	L24 Q44	L24-I28 PolarHBondContact O-N 3.38Å; I28-Q44 PolarHBondContact O-NE2 3.18Å
29	P	54.6	Low	60.5	Low	106 Å²	106	87.6 Å²	87.6	69%	0.688	48%	0.483	S	S	*	.			trans	-60.6	140.4	-178.8	-23.6	32.4	0	0	0	113.7
30	Q	51.8	Low	59.5	Low	46 Å²	46	80 Å²	80	22%	0.215	46%	0.463	C	S	.	.			trans	-65.1	148.6	175.6	-86.6	176	1.3	0	0	112.9	E25 V32 V35	E25-Q30 VanDerWaalsContact CD-CD 3.49Å; E25-Q30 VanDerWaalsContact CD-NE2 3.28Å; E25-Q30 HydrophobicContact CG-CG 3.79Å; E25-Q30 VanDerWaalsContact OE1-CD 3.22Å; E25-Q30 PolarHBondContact OE1-NE2 3.18Å; Q30-V32 PolarHBondContact OE1-O 2.93Å; Q30-V35 PolarHBondContact NE2-O 3.47Å
31	S	51.9	Low	58.3	Low	64 Å²	64	80.6 Å²	80.6	45%	0.448	48%	0.48	S	S	.	.	S	Bend	trans	-77.3	-23.5	176.7	-46.8	0	0	0	0	113.2
32	V	51.8	Low	57.3	Low	89 Å²	89	81.6 Å²	81.6	54%	0.539	49%	0.491	S	S	.	.	S	Bend	trans	-135.5	115.2	175.6	-177.5	0	0	0	0	107.4	Q30 G34 V35	Q30-V32 PolarHBondContact OE1-O 2.93Å; V32-G34 PolarHBondContact O-N 2.98Å; V32-V35 HydrophobicContact CB-CG2 4.42Å; V32-V35 HydrophobicContact CG1-CG2 3.99Å
33	P	53.4	Low	56.3	Low	123 Å²	123	85.6 Å²	85.6	80%	0.799	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	131.2	-179.9	-21.4	32.1	0	0	0	111.9
34	G	55.2	Low	55.4	Low	73 Å²	73	82.7 Å²	82.7	75%	0.753	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	2.5	171.1	0	0	0	0	0	116.4	V32	V32-G34 PolarHBondContact O-N 2.98Å
35	V	56.7	Low	55.2	Low	71 Å²	71	80.1 Å²	80.1	43%	0.43	47%	0.47	S	S	.	.			trans	-103.1	98.5	179.2	-178.6	0	0	0	0	110.8	Q30 V32 T37	Q30-V35 PolarHBondContact NE2-O 3.47Å; V32-V35 HydrophobicContact CB-CG2 4.42Å; V32-V35 HydrophobicContact CG1-CG2 3.99Å; V35-T37 VanDerWaalsContact C-N 3.31Å; V35-T37 HydrophobicContact CG1-CG2 3.8Å; V35-T37 PolarHBondContact O-N 2.91Å; V35-T37 VanDerWaalsContact O-N 3.07Å
36	Q	57.9	Low	55	Low	89 Å²	89	82.9 Å²	82.9	42%	0.416	49%	0.487	S	S	.	.			trans	-86.2	62.4	179.1	-64.9	-177.5	-10.8	0	0	112	H18	H18-Q36 PolarHBondContact CE1-OE1 3.33Å; H18-Q36 PolarHBondContact ND1-OE1 3.24Å
37	T	58.9	Low	54.5	Low	75 Å²	75	81 Å²	81	46%	0.46	48%	0.481	S	S	.	.			trans	-123.5	127.4	178.2	76	0	0	0	0	112.3	V35 L39 G40	V35-T37 VanDerWaalsContact C-N 3.31Å; V35-T37 HydrophobicContact CG1-CG2 3.8Å; V35-T37 PolarHBondContact O-N 2.91Å; V35-T37 VanDerWaalsContact O-N 3.07Å; T37-L39 PolarHBondContact O-N 3.37Å; T37-G40 PolarHBondContact OG1-N 3.24Å
38	L	56.8	Low	54.2	Low	30 Å²	30	76.9 Å²	76.9	16%	0.157	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0.2	171.1	-89.6	155.2	0	0	0	112.8	C17 S45 L46	C17-L38 HydrophobicContact CB-CD1 4.22Å; C17-L38 VanDerWaalsContact SG-CD1 3.55Å; L38-S45 CarbonylContact O-C 3.55Å; L38-S45 WeakPolarHBondContact O-CA 3.34Å; L38-L46 HydrophobicContact CB-CD1 3.91Å; L38-L46 HydrophobicContact CB-CG 4.21Å; L38-L46 HydrophobicContact CD1-CD1 4.41Å; L38-L46 HydrophobicContact CD2-CD1 3.89Å; L38-L46 HydrophobicContact CD2-CD2 4.34Å; L38-L46 HydrophobicContact CD2-CG 3.77Å; L38-L46 HydrophobicContact CG-CD1 4.29Å; L38-L46 WeakPolarHBondContact O-CB 3.44Å; L38-L46 PolarHBondContact O-N 3.44Å
39	L	57.4	Low	54.1	Low	95 Å²	95	77.2 Å²	77.2	50%	0.497	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	9	-175.3	-59.4	173.8	0	0	0	113.4	T37 L46 L47	T37-L39 PolarHBondContact O-N 3.37Å; L39-L46 HydrophobicContact CD2-CB 4.37Å; L39-L47 HydrophobicContact CB-CD1 4.01Å; L39-L47 HydrophobicContact CB-CG 4.36Å; L39-L47 HydrophobicContact CD2-CD1 4.07Å; L39-L47 HydrophobicContact CD2-CD2 3.9Å; L39-L47 HydrophobicContact CD2-CG 3.62Å
40	G	54.8	Low	54.1	Low	28 Å²	28	79.2 Å²	79.2	29%	0.289	47%	0.469	S	S	.	.	S	Bend	trans	-81.3	-168.2	-176.4	0	0	0	0	0	115.3	T37 G42 S45	T37-G40 PolarHBondContact OG1-N 3.24Å; G40-G42 VanDerWaalsContact C-N 3.33Å; G40-S45 WeakPolarHBondContact O-CB 3.17Å; G40-S45 PolarHBondContact O-OG 3.19Å
41	A	46.9	Very low	53.9	Low	98 Å²	98	86.2 Å²	86.2	81%	0.81	50%	0.499	S	S	*	.	S	Bend	trans	-85.3	-2.8	176.3	0	0	0	0	0	114.2	R48	A41-R48 PolarHBondContact O-NH2 3.12Å
42	G	49.3	Very low	53.6	Low	31 Å²	31	85.7 Å²	85.7	32%	0.32	50%	0.495	S	S	.	.	S	Bend	trans	-70.1	171.2	-178.4	0	0	0	0	0	114.1	G40 Q44 S45	G40-G42 VanDerWaalsContact C-N 3.33Å; G42-Q44 PolarHBondContact O-N 2.76Å; G42-Q44 VanDerWaalsContact O-N 3.12Å; G42-S45 PolarHBondContact O-N 3.34Å
43	R	49.3	Very low	53.6	Low	140 Å²	140	83.6 Å²	83.6	53%	0.528	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.5	177.7	-78.1	-176.9	171.5	171.4	0.1	113.8	V76	R43-V76 HydrophobicContact CG-CG1 4.09Å; R43-V76 PolarHBondContact NE-O 3.26Å; R43-V76 PolarHBondContact NH2-O 3.41Å
44	Q	52.9	Low	53.5	Low	44 Å²	44	85.6 Å²	85.6	21%	0.206	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	13.2	-175	-60.6	179.4	-10.2	0	0	114.1	I28 G42 L46	I28-Q44 PolarHBondContact O-NE2 3.18Å; G42-Q44 PolarHBondContact O-N 2.76Å; G42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-L46 PolarHBondContact O-N 3.05Å
45	S	58.5	Low	53.5	Low	16 Å²	16	88.4 Å²	88.4	11%	0.112	47%	0.474	C	S	.	.			trans	-73.4	120.8	-178	-170.5	0	0	0	0	113.3	L38 G40 G42 L47 R48	L38-S45 CarbonylContact O-C 3.55Å; L38-S45 WeakPolarHBondContact O-CA 3.34Å; G40-S45 WeakPolarHBondContact O-CB 3.17Å; G40-S45 PolarHBondContact O-OG 3.19Å; G42-S45 PolarHBondContact O-N 3.34Å; S45-L47 PolarHBondContact O-N 3.28Å; S45-L47 PolarHBondContact OG-N 2.81Å; S45-R48 WeakPolarHBondContact O-CB 3.05Å; S45-R48 PolarHBondContact O-N 3.43Å
46	L	56.5	Low	53.4	Low	124 Å²	124	88.4 Å²	88.4	65%	0.649	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.2	172.1	-68.3	175.3	0	0	0	113.1	L38 L39 Q44 R48	L38-L46 HydrophobicContact CB-CD1 3.91Å; L38-L46 HydrophobicContact CB-CG 4.21Å; L38-L46 HydrophobicContact CD1-CD1 4.41Å; L38-L46 HydrophobicContact CD2-CD1 3.89Å; L38-L46 HydrophobicContact CD2-CD2 4.34Å; L38-L46 HydrophobicContact CD2-CG 3.77Å; L38-L46 HydrophobicContact CG-CD1 4.29Å; L38-L46 WeakPolarHBondContact O-CB 3.44Å; L38-L46 PolarHBondContact O-N 3.44Å; L39-L46 HydrophobicContact CD2-CB 4.37Å; Q44-L46 PolarHBondContact O-N 3.05Å; L46-R48 PolarHBondContact O-N 3.42Å
47	L	54.2	Low	53.3	Low	117 Å²	117	88.5 Å²	88.5	61%	0.613	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.7	174.2	-63.6	177.4	0	0	0	112.5	L39 S45 T49	L39-L47 HydrophobicContact CB-CD1 4.01Å; L39-L47 HydrophobicContact CB-CG 4.36Å; L39-L47 HydrophobicContact CD2-CD1 4.07Å; L39-L47 HydrophobicContact CD2-CD2 3.9Å; L39-L47 HydrophobicContact CD2-CG 3.62Å; S45-L47 PolarHBondContact O-N 3.28Å; S45-L47 PolarHBondContact OG-N 2.81Å; L47-T49 PolarHBondContact O-N 3.26Å
48	R	54.4	Low	53.3	Low	73 Å²	73	87 Å²	87	28%	0.275	47%	0.466	S	S	.	.			trans	-71.7	113.6	175.5	-82.4	-176.5	175.6	-166.6	3	110.5	A41 S45 L46 S52 N77	A41-R48 PolarHBondContact O-NH2 3.12Å; S45-R48 WeakPolarHBondContact O-CB 3.05Å; S45-R48 PolarHBondContact O-N 3.43Å; L46-R48 PolarHBondContact O-N 3.42Å; R48-S52 WeakPolarHBondContact CA-OG 3.36Å; R48-S52 WeakPolarHBondContact CB-OG 3.36Å; R48-N77 PolarHBondContact NH1-OD1 3.08Å; R48-N77 PolarHBondContact NH2-ND2 3.05Å; R48-N77 PolarHBondContact NH2-OD1 2.87Å
49	T	53.5	Low	53.4	Low	89 Å²	89	92.4 Å²	92.4	55%	0.546	49%	0.488	S	S	.	.			trans	-84.3	157.8	161.8	59	0	0	0	0	109.8	L47 K51 S52 C53	L47-T49 PolarHBondContact O-N 3.26Å; T49-K51 PolarHBondContact O-N 3.25Å; T49-S52 PolarHBondContact N-OG 2.93Å; T49-S52 WeakPolarHBondContact O-CA 3.22Å; T49-S52 WeakPolarHBondContact O-CB 3.23Å; T49-S52 PolarHBondContact O-N 3.09Å; T49-S52 PolarHBondContact O-OG 2.97Å; T49-S52 PolarHBondContact OG1-N 2.88Å; T49-C53 PolarHBondContact O-N 3.21Å
50	N	53.2	Low	53.4	Low	149 Å²	149	88.2 Å²	88.2	80%	0.797	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.7	175.5	-157.8	-9.5	0	0	0	112
51	K	48.3	Very low	53.6	Low	193 Å²	193	90.9 Å²	90.9	84%	0.839	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.9	173.8	-63.3	-177.3	179	179.8	0	114.7	T49	T49-K51 PolarHBondContact O-N 3.25Å
52	S	46.3	Very low	54.1	Low	53 Å²	53	87.3 Å²	87.3	37%	0.371	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-21.7	178.8	73.8	0	0	0	0	113.1	R48 T49 K54	R48-S52 WeakPolarHBondContact CA-OG 3.36Å; R48-S52 WeakPolarHBondContact CB-OG 3.36Å; T49-S52 PolarHBondContact N-OG 2.93Å; T49-S52 WeakPolarHBondContact O-CA 3.22Å; T49-S52 WeakPolarHBondContact O-CB 3.23Å; T49-S52 PolarHBondContact O-N 3.09Å; T49-S52 PolarHBondContact O-OG 2.97Å; T49-S52 PolarHBondContact OG1-N 2.88Å; S52-K54 PolarHBondContact O-N 3.04Å
53	C	52	Low	54.6	Low	45 Å²	45	88 Å²	88	30%	0.304	45%	0.449	S	S	.	.	S	Bend	trans	-75.2	69	165.9	-70.4	0	0	0	0	109.4	T49 H55	T49-C53 PolarHBondContact O-N 3.21Å; C53-H55 PolarHBondContact O-N 2.98Å
54	K	51.3	Low	54.9	Low	164 Å²	164	83 Å²	83	71%	0.713	44%	0.438	S	S	*	.			trans	-63.7	111.8	170.8	-74.4	-173.2	178.9	179.6	0	108.2	S52 V56	S52-K54 PolarHBondContact O-N 3.04Å; K54-V56 PolarHBondContact O-N 3.37Å
55	H	53.4	Low	55.2	Low	133 Å²	133	83 Å²	83	62%	0.616	45%	0.446	S	S	*	.			trans	-62.5	100.5	166.5	-71.8	-68	0	0	0	108.2	C53 V57 G79	C53-H55 PolarHBondContact O-N 2.98Å; H55-V57 PolarHBondContact O-N 2.95Å; H55-G79 WeakPolarHBondContact ND1-CA 3.42Å
56	V	55	Low	55.1	Low	70 Å²	70	87.9 Å²	87.9	42%	0.424	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-72.7	101.9	174.7	-179.7	0	0	0	0	106.7	K54 W58 P75	K54-V56 PolarHBondContact O-N 3.37Å; V56-W58 PolarHBondContact O-N 3.11Å; V56-P75 HydrophobicContact CB-CG 4.37Å; V56-P75 HydrophobicContact CG1-CG 4.11Å
57	V	56.5	Low	54.8	Low	92 Å²	92	87.4 Å²	87.4	56%	0.558	46%	0.464	S	S	*	.			trans	-70.1	112.1	173.8	-179.5	0	0	0	0	107.6	H55 K59	H55-V57 PolarHBondContact O-N 2.95Å; V57-K59 PolarHBondContact O-N 3.31Å
58	W	58.1	Low	54.8	Low	42 Å²	42	87.5 Å²	87.5	16%	0.159	47%	0.473	C	S	.	.			trans	-68.9	102.9	171.5	-115.5	22.9	0	0	0	108.9	V56 A62 L63 P72 Y78	V56-W58 PolarHBondContact O-N 3.11Å; W58-A62 HydrophobicContact CD2-CB 4.29Å; W58-A62 HydrophobicContact CG-CB 4.03Å; W58-L63 HydrophobicContact CE3-CD2 3.76Å; W58-L63 HydrophobicContact CE3-CG 3.91Å; W58-L63 HydrophobicContact CH2-CD2 4.39Å; W58-L63 HydrophobicContact CZ3-CD2 3.46Å; W58-L63 VanDerWaalsContact CZ3-CD2 3.46Å; W58-L63 HydrophobicContact CZ3-CG 4.08Å; W58-P72 WeakPolarHBondContact CH2-O 3.44Å; W58-P72 HydrophobicContact CZ2-CG 4.46Å; W58-P72 WeakPolarHBondContact CZ2-O 3.46Å; W58-Y78 HydrophobicContact CB-CE2 3.94Å; W58-Y78 HydrophobicContact CD2-CE2 4.42Å; W58-Y78 HydrophobicContact CE3-CE2 4.42Å; W58-Y78 HydrophobicContact CG-CE2 4.23Å
59	K	59.2	Low	54.7	Low	144 Å²	144	86.5 Å²	86.5	63%	0.626	49%	0.485	S	S	*	.			trans	-68.9	153.5	170.9	-63.6	-174.6	178.8	-176.6	0	109.3	V57 S61 A62	V57-K59 PolarHBondContact O-N 3.31Å; K59-S61 PolarHBondContact O-N 3.39Å; K59-A62 WeakPolarHBondContact O-CB 3.5Å; K59-A62 PolarHBondContact O-N 3.48Å
60	G	58.4	Low	54.9	Low	7 Å²	7	86.3 Å²	86.3	7%	0.072	48%	0.475	C	S	.	.	H	α-helix	trans	-53.9	-24.3	179.3	0	0	0	0	0	114.9	L63 A64	G60-L63 PolarHBondContact O-N 3.35Å; G60-A64 PolarHBondContact O-N 3.4Å
61	S	58	Low	55.3	Low	84 Å²	84	80.7 Å²	80.7	59%	0.587	45%	0.446	S	S	*	.	H	α-helix	trans	-67.5	-32.5	173.6	51.7	0	0	0	0	113.8	K59 L63 A64 A65	K59-S61 PolarHBondContact O-N 3.39Å; S61-L63 VanDerWaalsContact C-N 3.3Å; S61-L63 PolarHBondContact O-N 3.44Å; S61-A64 PolarHBondContact O-N 2.89Å; S61-A65 PolarHBondContact O-N 3.23Å
62	A	57.9	Low	56	Low	24 Å²	24	73.3 Å²	73.3	20%	0.198	42%	0.418	C	S	.	.	H	α-helix	trans	-68.9	-31	176.1	0	0	0	0	0	111.9	W58 K59 A64 P72	W58-A62 HydrophobicContact CD2-CB 4.29Å; W58-A62 HydrophobicContact CG-CB 4.03Å; K59-A62 WeakPolarHBondContact O-CB 3.5Å; K59-A62 PolarHBondContact O-N 3.48Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-P72 WeakPolarHBondContact O-CG 3.14Å
63	L	59.6	Low	56.6	Low	45 Å²	45	75.8 Å²	75.8	24%	0.236	42%	0.424	C	S	.	.	H	α-helix	trans	-72.6	-21.7	173.2	-78.2	161.6	0	0	0	113.5	W58 G60 S61 P82	W58-L63 HydrophobicContact CE3-CD2 3.76Å; W58-L63 HydrophobicContact CE3-CG 3.91Å; W58-L63 HydrophobicContact CH2-CD2 4.39Å; W58-L63 HydrophobicContact CZ3-CD2 3.46Å; W58-L63 VanDerWaalsContact CZ3-CD2 3.46Å; W58-L63 HydrophobicContact CZ3-CG 4.08Å; G60-L63 PolarHBondContact O-N 3.35Å; S61-L63 VanDerWaalsContact C-N 3.3Å; S61-L63 PolarHBondContact O-N 3.44Å; L63-P82 HydrophobicContact CD1-CB 4.2Å; L63-P82 HydrophobicContact CD1-CG 3.89Å
64	A	56	Low	56.9	Low	35 Å²	35	76.6 Å²	76.6	29%	0.289	43%	0.43	S	S	.	.	H	α-helix	trans	-97.1	-20	-179.3	0	0	0	0	0	112.9	G60 S61 A62	G60-A64 PolarHBondContact O-N 3.4Å; S61-A64 PolarHBondContact O-N 2.89Å; A62-A64 VanDerWaalsContact C-N 3.3Å
65	A	59.5	Low	57.2	Low	45 Å²	45	70.9 Å²	70.9	37%	0.372	41%	0.409	S	S	.	.			trans	-65.2	148.2	176.4	0	0	0	0	0	111.2	S61 P72	S61-A65 PolarHBondContact O-N 3.23Å; A65-P72 HydrophobicContact CB-CG 4.24Å; A65-P72 WeakPolarHBondContact O-CD 3.4Å
66	L	55.8	Low	57.1	Low	118 Å²	118	68.5 Å²	68.5	62%	0.618	40%	0.404	S	S	*	.			trans	-124.4	129.1	171.1	-64.9	171.8	0	0	0	108	R70 P71	L66-R70 CarbonylContact C-O 3.52Å; L66-R70 WeakPolarHBondContact CA-O 3.4Å; L66-P71 HydrophobicContact CD2-CG 3.86Å
67	H	50.8	Low	57.2	Low	113 Å²	113	67.8 Å²	67.8	52%	0.523	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-108.5	109.3	172.3	-176.8	-80	0	0	0	108.5	G69 R70	H67-G69 VanDerWaalsContact C-N 3.3Å; H67-G69 PolarHBondContact O-N 2.93Å; H67-R70 PolarHBondContact N-O 2.81Å; H67-R70 WeakPolarHBondContact O-CG 3.4Å; H67-R70 PolarHBondContact O-N 3.4Å
68	C	52.7	Low	57.2	Low	119 Å²	119	67 Å²	67	80%	0.804	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	40.1	-173.5	-51.7	0	0	0	0	113.3	R70	C68-R70 PolarHBondContact O-N 3.1Å
69	G	53.3	Low	57.4	Low	52 Å²	52	65.7 Å²	65.7	54%	0.536	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-1.2	177.9	0	0	0	0	0	115.5	H67	H67-G69 VanDerWaalsContact C-N 3.3Å; H67-G69 PolarHBondContact O-N 2.93Å
70	R	58.2	Low	57.3	Low	86 Å²	86	62.9 Å²	62.9	33%	0.325	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-106.6	143.8	170.8	56.3	172	-172.1	172.6	8.1	111.3	L66 H67 C68 E73	L66-R70 CarbonylContact C-O 3.52Å; L66-R70 WeakPolarHBondContact CA-O 3.4Å; H67-R70 PolarHBondContact N-O 2.81Å; H67-R70 WeakPolarHBondContact O-CG 3.4Å; H67-R70 PolarHBondContact O-N 3.4Å; C68-R70 PolarHBondContact O-N 3.1Å; R70-E73 IonicContact CZ-OE1 3.71Å; R70-E73 IonicContact NH1-OE1 2.91Å; R70-E73 PolarHBondContact NH1-OE1 3Å
71	P	61.6	Low	57.3	Low	31 Å²	31	67.4 Å²	67.4	20%	0.201	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-57	139.5	166.8	-26.9	39.1	0	0	0	110.2	L66 T105	L66-P71 HydrophobicContact CD2-CG 3.86Å; P71-T105 HydrophobicContact CB-CG2 3.76Å; P71-T105 HydrophobicContact CG-CG2 3.88Å
72	P	62.2	Low	57.5	Low	38 Å²	38	64.8 Å²	64.8	25%	0.247	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.8	-179.6	24.3	-33.1	0	0	0	110.8	W58 A62 A65	W58-P72 WeakPolarHBondContact CH2-O 3.44Å; W58-P72 HydrophobicContact CZ2-CG 4.46Å; W58-P72 WeakPolarHBondContact CZ2-O 3.46Å; A62-P72 WeakPolarHBondContact O-CG 3.14Å; A65-P72 HydrophobicContact CB-CG 4.24Å; A65-P72 WeakPolarHBondContact O-CD 3.4Å
73	E	60	Low	57.9	Low	104 Å²	104	66.2 Å²	66.2	49%	0.486	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.8	142.3	177	-71.2	172	-158.1	0	0	110.5	R70 Q109	R70-E73 IonicContact CZ-OE1 3.71Å; R70-E73 IonicContact NH1-OE1 2.91Å; R70-E73 PolarHBondContact NH1-OE1 3Å; E73-Q109 HydrophobicContact CG-CG 4.32Å
74	S	58.5	Low	58.2	Low	63 Å²	63	70.7 Å²	70.7	44%	0.441	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-63.3	133.9	173.8	56.1	0	0	0	0	109.7
75	P	56.5	Low	58.8	Low	43 Å²	43	72.1 Å²	72.1	28%	0.279	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-56.4	142.1	175.8	-23.3	31.6	0	0	0	111.5	V56 N77 Y78	V56-P75 HydrophobicContact CB-CG 4.37Å; V56-P75 HydrophobicContact CG1-CG 4.11Å; P75-N77 PolarHBondContact O-N 3.49Å; P75-N77 VanDerWaalsContact O-N 3.09Å; P75-Y78 PolarHBondContact O-N 3.33Å
76	V	51.8	Low	59	Low	84 Å²	84	73 Å²	73	51%	0.509	44%	0.435	S	S	.	.	S	Bend	trans	-60.5	-22.2	179	179.1	0	0	0	0	112.6	R43	R43-V76 HydrophobicContact CG-CG1 4.09Å; R43-V76 PolarHBondContact NE-O 3.26Å; R43-V76 PolarHBondContact NH2-O 3.41Å
77	N	56.9	Low	59.1	Low	54 Å²	54	68.8 Å²	68.8	29%	0.289	41%	0.414	S	S	.	.	S	Bend	trans	-105.7	58	174.9	-64.8	-24.1	0	0	0	110.7	R48 P75	R48-N77 PolarHBondContact NH1-OD1 3.08Å; R48-N77 PolarHBondContact NH2-ND2 3.05Å; R48-N77 PolarHBondContact NH2-OD1 2.87Å; P75-N77 PolarHBondContact O-N 3.49Å; P75-N77 VanDerWaalsContact O-N 3.09Å
78	Y	57.3	Low	59.7	Low	76 Å²	76	68 Å²	68	30%	0.298	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-70	131.7	179.6	-169.8	-94.8	0	0	0	110.8	W58 P75 S80 P81 P82	W58-Y78 HydrophobicContact CB-CE2 3.94Å; W58-Y78 HydrophobicContact CD2-CE2 4.42Å; W58-Y78 HydrophobicContact CE3-CE2 4.42Å; W58-Y78 HydrophobicContact CG-CE2 4.23Å; P75-Y78 PolarHBondContact O-N 3.33Å; Y78-S80 VanDerWaalsContact CE1-O 3.27Å; Y78-S80 WeakPolarHBondContact CE1-O 3.48Å; Y78-S80 VanDerWaalsContact CZ-O 3.26Å; Y78-S80 PolarHBondContact OH-O 2.91Å; Y78-P81 VanDerWaalsContact CE1-CA 3.5Å; Y78-P81 HydrophobicContact CE1-CB 4.48Å; Y78-P81 WeakPolarHBondContact OH-CA 3.44Å; Y78-P82 WeakPolarHBondContact OH-CD 3.4Å
79	G	62	Low	60.2	Low	15 Å²	15	67.9 Å²	67.9	16%	0.155	40%	0.399	C	S	.	.			trans	-80.7	-139.9	173.2	0	0	0	0	0	112.7	H55	H55-G79 WeakPolarHBondContact ND1-CA 3.42Å
80	S	56.3	Low	60.3	Low	85 Å²	85	65.6 Å²	65.6	59%	0.594	38%	0.375	S	S	*	.	S	Bend	trans	-68	145.7	171.7	49	0	0	0	0	111.4	Y78	Y78-S80 VanDerWaalsContact CE1-O 3.27Å; Y78-S80 WeakPolarHBondContact CE1-O 3.48Å; Y78-S80 VanDerWaalsContact CZ-O 3.26Å; Y78-S80 PolarHBondContact OH-O 2.91Å
81	P	57.9	Low	60.3	Low	101 Å²	101	68 Å²	68	66%	0.656	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-49.7	148.9	174.3	18.5	-29.9	0	0	0	110.6	Y78 S83	Y78-P81 VanDerWaalsContact CE1-CA 3.5Å; Y78-P81 HydrophobicContact CE1-CB 4.48Å; Y78-P81 WeakPolarHBondContact OH-CA 3.44Å; P81-S83 PolarHBondContact O-N 3.04Å
82	P	62.4	Low	60.1	Low	30 Å²	30	74.6 Å²	74.6	20%	0.195	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-62	145.5	179	22.6	-17.5	0	0	0	107.2	L63 Y78 D86 T87	L63-P82 HydrophobicContact CD1-CB 4.2Å; L63-P82 HydrophobicContact CD1-CG 3.89Å; Y78-P82 WeakPolarHBondContact OH-CD 3.4Å; P82-D86 HydrophobicContact CB-CB 4.32Å; P82-T87 PolarHBondContact O-OG1 3.31Å
83	S	65.8	Low	59.7	Low	53 Å²	53	77.9 Å²	77.9	37%	0.371	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-57.1	151.4	-177	74.7	0	0	0	0	109.9	P81 A85 D86 T87	P81-S83 PolarHBondContact O-N 3.04Å; S83-A85 PolarHBondContact O-N 3.42Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 2.95Å; S83-D86 WeakPolarHBondContact CB-OD2 3.49Å; S83-D86 PolarHBondContact O-N 3.28Å; S83-D86 PolarHBondContact OG-N 3.45Å; S83-D86 PolarHBondContact OG-OD2 3.31Å; S83-T87 WeakPolarHBondContact O-CB 3.35Å; S83-T87 PolarHBondContact O-N 3.11Å; S83-T87 PolarHBondContact O-OG1 3Å
84	I	67.1	Low	59.2	Low	139 Å²	139	76.3 Å²	76.3	71%	0.713	42%	0.419	S	S	*	.	H	α-helix	trans	-53.4	-35	172.7	-80.6	166.3	0	0	0	109.9	T87 L88	I84-T87 PolarHBondContact O-N 3.13Å; I84-L88 HydrophobicContact CG2-CD1 3.56Å; I84-L88 HydrophobicContact CG2-CG 4.14Å; I84-L88 WeakPolarHBondContact O-CB 3.5Å; I84-L88 WeakPolarHBondContact O-CD1 3.36Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 3.22Å
85	A	68.3	Low	58.8	Low	66 Å²	66	74.5 Å²	74.5	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-46.8	175.1	0	0	0	0	0	112.7	S83 T87 L88 F89	S83-A85 PolarHBondContact O-N 3.42Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 2.95Å; A85-T87 VanDerWaalsContact C-N 3.32Å; A85-T87 PolarHBondContact O-N 3.43Å; A85-L88 PolarHBondContact O-N 2.94Å; A85-F89 VanDerWaalsContact O-CB 3.23Å; A85-F89 WeakPolarHBondContact O-CB 3.43Å; A85-F89 PolarHBondContact O-N 3.27Å
86	D	63	Low	58.3	Low	64 Å²	64	81.6 Å²	81.6	34%	0.342	44%	0.437	S	S	.	.	H	α-helix	trans	-66.3	-35.8	177	-68.3	-52.9	0	0	0	112.2	P82 S83 F89 S90	P82-D86 HydrophobicContact CB-CB 4.32Å; S83-D86 WeakPolarHBondContact CB-OD2 3.49Å; S83-D86 PolarHBondContact O-N 3.28Å; S83-D86 PolarHBondContact OG-N 3.45Å; S83-D86 PolarHBondContact OG-OD2 3.31Å; D86-F89 PolarHBondContact O-N 2.94Å; D86-S90 WeakPolarHBondContact O-CB 3.46Å; D86-S90 PolarHBondContact O-N 3.21Å; D86-S90 PolarHBondContact O-OG 2.97Å
87	T	59.5	Low	58.1	Low	29 Å²	29	84.7 Å²	84.7	18%	0.178	44%	0.44	C	S	.	.	H	α-helix	trans	-70.6	-39.6	176.5	-46.9	0	0	0	0	110.7	P82 S83 I84 A85 S90 R91	P82-T87 PolarHBondContact O-OG1 3.31Å; S83-T87 WeakPolarHBondContact O-CB 3.35Å; S83-T87 PolarHBondContact O-N 3.11Å; S83-T87 PolarHBondContact O-OG1 3Å; I84-T87 PolarHBondContact O-N 3.13Å; A85-T87 VanDerWaalsContact C-N 3.32Å; A85-T87 PolarHBondContact O-N 3.43Å; T87-S90 WeakPolarHBondContact CA-OG 3.16Å; T87-S90 PolarHBondContact O-OG 3.21Å; T87-R91 WeakPolarHBondContact O-CB 3.11Å; T87-R91 WeakPolarHBondContact O-CD 3.25Å; T87-R91 WeakPolarHBondContact O-CG 3.4Å; T87-R91 PolarHBondContact O-N 3.41Å
88	L	61.8	Low	57.5	Low	97 Å²	97	90.6 Å²	90.6	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-69.9	-35.2	173.7	-74.7	169.6	0	0	0	111.5	I84 A85 K92	I84-L88 HydrophobicContact CG2-CD1 3.56Å; I84-L88 HydrophobicContact CG2-CG 4.14Å; I84-L88 WeakPolarHBondContact O-CB 3.5Å; I84-L88 WeakPolarHBondContact O-CD1 3.36Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 3.22Å; A85-L88 PolarHBondContact O-N 2.94Å; L88-K92 WeakPolarHBondContact O-CB 3.13Å; L88-K92 PolarHBondContact O-N 2.93Å
89	F	63.3	Low	56.8	Low	115 Å²	115	93.7 Å²	93.7	50%	0.504	48%	0.48	S	S	.	.	H	α-helix	trans	-69.7	-45	176.4	-175	-97.4	0	0	0	111.7	A85 D86 K92 L93	A85-F89 VanDerWaalsContact O-CB 3.23Å; A85-F89 WeakPolarHBondContact O-CB 3.43Å; A85-F89 PolarHBondContact O-N 3.27Å; D86-F89 PolarHBondContact O-N 2.94Å; F89-K92 WeakPolarHBondContact O-CA 3.35Å; F89-K92 WeakPolarHBondContact O-CB 3.48Å; F89-K92 PolarHBondContact O-N 3.44Å; F89-K92 VanDerWaalsContact O-N 3.1Å; F89-L93 HydrophobicContact CD1-CD1 3.95Å; F89-L93 HydrophobicContact CE1-CD1 3.62Å; F89-L93 HydrophobicContact CE1-CG 4.27Å; F89-L93 HydrophobicContact CZ-CD1 4.37Å; F89-L93 PolarHBondContact O-N 2.62Å
90	S	55.9	Low	55.7	Low	5 Å²	5	101.8 Å²	101.8	4%	0.035	51%	0.513	C	S	.	.	H	α-helix	trans	-64.9	-40.2	172.6	61.8	0	0	0	0	111.7	D86 T87 K92 L93 N94	D86-S90 WeakPolarHBondContact O-CB 3.46Å; D86-S90 PolarHBondContact O-N 3.21Å; D86-S90 PolarHBondContact O-OG 2.97Å; T87-S90 WeakPolarHBondContact CA-OG 3.16Å; T87-S90 PolarHBondContact O-OG 3.21Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.17Å; S90-L93 PolarHBondContact O-N 3.35Å; S90-N94 WeakPolarHBondContact O-CB 2.93Å; S90-N94 VanDerWaalsContact O-CG 3.32Å; S90-N94 PolarHBondContact O-N 3.46Å
91	R	57.7	Low	55.3	Low	135 Å²	135	107 Å²	107	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-35.3	169	-74.8	169.4	-177.9	176.8	3.1	112.3	T87 N94 G95	T87-R91 WeakPolarHBondContact O-CB 3.11Å; T87-R91 WeakPolarHBondContact O-CD 3.25Å; T87-R91 WeakPolarHBondContact O-CG 3.4Å; T87-R91 PolarHBondContact O-N 3.41Å; R91-N94 PolarHBondContact O-N 2.68Å; R91-G95 CarbonylContact O-C 3.53Å; R91-G95 WeakPolarHBondContact O-CA 3.36Å; R91-G95 PolarHBondContact O-N 2.98Å
92	K	58.4	Low	54.9	Low	170 Å²	170	106.5 Å²	106.5	74%	0.739	51%	0.511	S	S	*	.	H	α-helix	trans	-69.3	-35.5	176.2	-173.2	-178.5	-179.6	-177.9	0	111.9	L88 F89 S90	L88-K92 WeakPolarHBondContact O-CB 3.13Å; L88-K92 PolarHBondContact O-N 2.93Å; F89-K92 WeakPolarHBondContact O-CA 3.35Å; F89-K92 WeakPolarHBondContact O-CB 3.48Å; F89-K92 PolarHBondContact O-N 3.44Å; F89-K92 VanDerWaalsContact O-N 3.1Å; S90-K92 VanDerWaalsContact C-N 3.29Å; S90-K92 PolarHBondContact O-N 3.17Å
93	L	54	Low	54.7	Low	108 Å²	108	108.2 Å²	108.2	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-68.7	-41.8	172.7	-72.3	169.1	0	0	0	111.6	F89 S90	F89-L93 HydrophobicContact CD1-CD1 3.95Å; F89-L93 HydrophobicContact CE1-CD1 3.62Å; F89-L93 HydrophobicContact CE1-CG 4.27Å; F89-L93 HydrophobicContact CZ-CD1 4.37Å; F89-L93 PolarHBondContact O-N 2.62Å; S90-L93 PolarHBondContact O-N 3.35Å
94	N	49	Very low	54.5	Low	71 Å²	71	109.5 Å²	109.5	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-81.4	-17.1	-178.8	-64.2	-16	0	0	0	112.9	S90 R91 Y97	S90-N94 WeakPolarHBondContact O-CB 2.93Å; S90-N94 VanDerWaalsContact O-CG 3.32Å; S90-N94 PolarHBondContact O-N 3.46Å; R91-N94 PolarHBondContact O-N 2.68Å; N94-Y97 HydrophobicContact CB-CE2 4.16Å; N94-Y97 WeakPolarHBondContact O-CE2 3.44Å; N94-Y97 VanDerWaalsContact O-CZ 3.24Å; N94-Y97 PolarHBondContact O-OH 3.48Å
95	G	50.5	Low	54.2	Low	25 Å²	25	107 Å²	107	26%	0.258	52%	0.52	S	S	.	.			trans	102.8	171.7	177.3	0	0	0	0	0	114.6	R91 Y97	R91-G95 CarbonylContact O-C 3.53Å; R91-G95 WeakPolarHBondContact O-CA 3.36Å; R91-G95 PolarHBondContact O-N 2.98Å; G95-Y97 WeakPolarHBondContact O-CD2 3.35Å; G95-Y97 PolarHBondContact O-N 3.46Å
96	K	44.9	Very low	53.9	Low	192 Å²	192	106.1 Å²	106.1	84%	0.835	51%	0.512	S	S	*	.			trans	-82.1	107	177.8	-71.8	-175.7	178.3	-177	0	109.9
97	Y	47.2	Very low	54	Low	148 Å²	148	107 Å²	107	58%	0.58	52%	0.52	S	S	*	.			trans	-104	143	170.2	-58.7	-79	0	0	0	110.3	N94 G95 L99 L102	N94-Y97 HydrophobicContact CB-CE2 4.16Å; N94-Y97 WeakPolarHBondContact O-CE2 3.44Å; N94-Y97 VanDerWaalsContact O-CZ 3.24Å; N94-Y97 PolarHBondContact O-OH 3.48Å; G95-Y97 WeakPolarHBondContact O-CD2 3.35Å; G95-Y97 PolarHBondContact O-N 3.46Å; Y97-L99 PolarHBondContact O-N 3.46Å; Y97-L102 HydrophobicContact CD2-CD1 4.46Å; Y97-L102 HydrophobicContact CG-CD1 4.38Å
98	R	44.6	Very low	54.2	Low	179 Å²	179	109 Å²	109	68%	0.675	52%	0.524	S	S	*	.			trans	-67.2	130.1	163.4	-73.9	-172.6	179.2	-175.8	0.3	107.7	E100 R101	R98-E100 PolarHBondContact O-N 3.28Å; R98-E100 VanDerWaalsContact O-N 3.11Å; R98-R101 PolarHBondContact O-N 3.07Å
99	L	42.3	Very low	54.3	Low	141 Å²	141	108.5 Å²	108.5	74%	0.738	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34.3	-174.5	-141.3	107.1	0	0	0	112.3	Y97 R101 L102	Y97-L99 PolarHBondContact O-N 3.46Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.07Å; L99-L102 WeakPolarHBondContact O-CB 2.9Å; L99-L102 PolarHBondContact O-N 2.87Å
100	E	40.8	Very low	54.5	Low	184 Å²	184	109.6 Å²	109.6	86%	0.86	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-70.3	-18.5	179.5	-63.2	167.9	-178.4	0	0	114.6	R98	R98-E100 PolarHBondContact O-N 3.28Å; R98-E100 VanDerWaalsContact O-N 3.11Å
101	R	46	Very low	55.5	Low	194 Å²	194	115.4 Å²	115.4	73%	0.732	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-102	0.7	178.2	-63.8	-174	179.4	-172.6	-2.1	112.5	R98 L99 V103	R98-R101 PolarHBondContact O-N 3.07Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.07Å; R101-V103 PolarHBondContact O-N 3.33Å
102	L	51.2	Low	56.6	Low	91 Å²	91	117.7 Å²	117.7	48%	0.476	57%	0.568	S	S	.	*			trans	-82.5	107.4	179.3	-122.5	147.3	0	0	0	107.5	Y97 L99 P104	Y97-L102 HydrophobicContact CD2-CD1 4.46Å; Y97-L102 HydrophobicContact CG-CD1 4.38Å; L99-L102 WeakPolarHBondContact O-CB 2.9Å; L99-L102 PolarHBondContact O-N 2.87Å; L102-P104 VanDerWaalsContact O-CD 3.25Å; L102-P104 WeakPolarHBondContact O-CD 3.13Å
103	V	58.4	Low	57.8	Low	67 Å²	67	116.7 Å²	116.7	41%	0.406	57%	0.568	S	S	.	*			trans	-66.4	117.7	169	178.3	0	0	0	0	106.6	R101 V107 Y108	R101-V103 PolarHBondContact O-N 3.33Å; V103-V107 HydrophobicContact CG1-CB 3.43Å; V103-V107 VanDerWaalsContact CG1-CB 3.43Å; V103-V107 HydrophobicContact CG1-CG1 3.54Å; V103-V107 HydrophobicContact CG1-CG2 3.72Å; V103-Y108 HydrophobicContact CB-CE2 4.04Å; V103-Y108 HydrophobicContact CG1-CD2 4.4Å; V103-Y108 HydrophobicContact CG1-CE2 3.81Å
104	P	61.2	Low	59.3	Low	79 Å²	79	118.5 Å²	118.5	51%	0.513	57%	0.573	S	S	.	*			trans	-54.6	145	-179.8	-26	34	0	0	0	111.1	L102 A106 V107	L102-P104 VanDerWaalsContact O-CD 3.25Å; L102-P104 WeakPolarHBondContact O-CD 3.13Å; P104-A106 PolarHBondContact O-N 3.21Å; P104-A106 VanDerWaalsContact O-N 3.07Å; P104-V107 HydrophobicContact CB-CG2 4.31Å; P104-V107 HydrophobicContact CG-CG2 4.37Å; P104-V107 WeakPolarHBondContact O-CB 3.39Å; P104-V107 PolarHBondContact O-N 2.61Å
105	T	60.1	Low	61	Low	88 Å²	88	120.6 Å²	120.6	54%	0.54	58%	0.579	S	S	.	*	H	α-helix	trans	-53	-31.7	175.2	39.3	0	0	0	0	112.4	P71 V107 Y108 Q109	P71-T105 HydrophobicContact CB-CG2 3.76Å; P71-T105 HydrophobicContact CG-CG2 3.88Å; T105-V107 PolarHBondContact O-N 2.86Å; T105-Y108 WeakPolarHBondContact O-CB 3.04Å; T105-Y108 PolarHBondContact O-N 3.01Å; T105-Q109 PolarHBondContact O-N 3.19Å
106	A	61.7	Low	63	Low	46 Å²	46	129.4 Å²	129.4	38%	0.38	60%	0.604	S	S	.	*	H	α-helix	trans	-57	-32.3	173.5	0	0	0	0	0	113.9	P104 Y108 Q109	P104-A106 PolarHBondContact O-N 3.21Å; P104-A106 VanDerWaalsContact O-N 3.07Å; A106-Y108 VanDerWaalsContact C-N 3.27Å; A106-Y108 PolarHBondContact O-N 3.46Å; A106-Q109 VanDerWaalsContact O-CB 3.31Å; A106-Q109 WeakPolarHBondContact O-CB 3.24Å; A106-Q109 PolarHBondContact O-N 2.91Å; A106-Q109 VanDerWaalsContact O-N 3.15Å
107	V	65.9	Low	65.2	Low	82 Å²	82	123.8 Å²	123.8	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-66.3	-33.4	177.2	179.4	0	0	0	0	111	V103 P104 T105 Q109 H110	V103-V107 HydrophobicContact CG1-CB 3.43Å; V103-V107 VanDerWaalsContact CG1-CB 3.43Å; V103-V107 HydrophobicContact CG1-CG1 3.54Å; V103-V107 HydrophobicContact CG1-CG2 3.72Å; P104-V107 HydrophobicContact CB-CG2 4.31Å; P104-V107 HydrophobicContact CG-CG2 4.37Å; P104-V107 WeakPolarHBondContact O-CB 3.39Å; P104-V107 PolarHBondContact O-N 2.61Å; T105-V107 PolarHBondContact O-N 2.86Å; V107-Q109 VanDerWaalsContact C-N 3.28Å; V107-Q109 PolarHBondContact O-N 3.02Å; V107-H110 PolarHBondContact O-N 3.41Å
108	Y	63.1	Low	67.3	Low	72 Å²	72	124.7 Å²	124.7	28%	0.282	60%	0.596	S	S	.	*	H	α-helix	trans	-73.2	-19.3	176.7	-62.9	-92.3	0	0	0	112.9	V103 T105 A106 H110 M111	V103-Y108 HydrophobicContact CB-CE2 4.04Å; V103-Y108 HydrophobicContact CG1-CD2 4.4Å; V103-Y108 HydrophobicContact CG1-CE2 3.81Å; T105-Y108 WeakPolarHBondContact O-CB 3.04Å; T105-Y108 PolarHBondContact O-N 3.01Å; A106-Y108 VanDerWaalsContact C-N 3.27Å; A106-Y108 PolarHBondContact O-N 3.46Å; Y108-H110 PolarHBondContact O-N 2.81Å; Y108-M111 HydrophobicContact CD1-CE 3.25Å; Y108-M111 HydrophobicContact CD1-SD 3.72Å; Y108-M111 HydrophobicContact CE1-CE 3.48Å; Y108-M111 VanDerWaalsContact CE1-CE 3.48Å; Y108-M111 HydrophobicContact CE1-SD 4.46Å; Y108-M111 HydrophobicContact CG-CE 4.28Å; Y108-M111 PolarHBondContact O-N 3.47Å
109	Q	63.9	Low	69.6	Low	86 Å²	86	116.9 Å²	116.9	40%	0.402	57%	0.572	S	S	.	*	H	α-helix	trans	-66.8	-23.9	176.4	-63.3	176	-21.2	0	0	112.2	E73 T105 A106 V107	E73-Q109 HydrophobicContact CG-CG 4.32Å; T105-Q109 PolarHBondContact O-N 3.19Å; A106-Q109 VanDerWaalsContact O-CB 3.31Å; A106-Q109 WeakPolarHBondContact O-CB 3.24Å; A106-Q109 PolarHBondContact O-N 2.91Å; A106-Q109 VanDerWaalsContact O-N 3.15Å; V107-Q109 VanDerWaalsContact C-N 3.28Å; V107-Q109 PolarHBondContact O-N 3.02Å
110	H	68.6	Low	72.2	Confident	139 Å²	139	111.6 Å²	111.6	64%	0.644	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	16.9	-179.6	-57.8	-48.5	0	0	0	113.2	V107 Y108 K112	V107-H110 PolarHBondContact O-N 3.41Å; Y108-H110 PolarHBondContact O-N 2.81Å; H110-K112 PolarHBondContact O-N 2.8Å
111	M	75.8	Confident	74.8	Confident	127 Å²	127	110.9 Å²	110.9	63%	0.626	54%	0.544	S	S	*	.			trans	-61.1	114.4	169	-83.2	-174.8	170.8	0	0	109.4	Y108	Y108-M111 HydrophobicContact CD1-CE 3.25Å; Y108-M111 HydrophobicContact CD1-SD 3.72Å; Y108-M111 HydrophobicContact CE1-CE 3.48Å; Y108-M111 VanDerWaalsContact CE1-CE 3.48Å; Y108-M111 HydrophobicContact CE1-SD 4.46Å; Y108-M111 HydrophobicContact CG-CE 4.28Å; Y108-M111 PolarHBondContact O-N 3.47Å
112	K	80.3	Confident	77.2	Confident	182 Å²	182	104 Å²	104	79%	0.791	53%	0.526	S	S	*	.			trans	-117.9	152.1	173	-67.4	178.7	-179	-179.6	0	107.7	H110 H114	H110-K112 PolarHBondContact O-N 2.8Å; K112-H114 PolarHBondContact O-N 3Å
113	M	84.7	Confident	79.4	Confident	150 Å²	150	103 Å²	103	74%	0.739	53%	0.527	S	S	*	.			trans	-56	114.8	167.5	-178.1	-131.1	-61.4	0	0	107.8	R116	M113-R116 HydrophobicContact SD-CB 4.12Å
114	H	84.7	Confident	81.3	Confident	145 Å²	145	103.3 Å²	103.3	67%	0.671	53%	0.528	S	S	*	.			trans	-74.1	-48.4	177	-176.8	60.5	0	0	0	110.6	K112 D151	K112-H114 PolarHBondContact O-N 3Å; H114-D151 PolarHBondContact NE2-O 3.38Å
115	K	86.3	Confident	82.9	Confident	116 Å²	116	106 Å²	106	50%	0.504	53%	0.529	S	S	.	.			trans	-155.5	151.4	-178.5	-153.2	169	-174	-175.9	0	111.8	I117 D152	K115-I117 HydrophobicContact CB-CG1 4.37Å; K115-I117 HydrophobicContact CD-CD1 3.87Å; K115-I117 HydrophobicContact CD-CG1 3.97Å; K115-I117 HydrophobicContact CG-CD1 4.24Å; K115-I117 HydrophobicContact CG-CG1 3.87Å; K115-D152 WeakPolarHBondContact CD-O 3.29Å; K115-D152 PolarHBondContact NZ-O 3.38Å
116	R	91.8	Very high	84.6	Confident	210 Å²	210	102.6 Å²	102.6	79%	0.792	51%	0.509	S	S	*	.			trans	-118.6	127.4	166.1	-177.1	178.2	179.8	-175.7	0.1	108.4	M113	M113-R116 HydrophobicContact SD-CB 4.12Å
117	I	91.2	Very high	86.2	Confident	73 Å²	73	104.9 Å²	104.9	37%	0.374	52%	0.518	S	S	.	.			trans	-129.2	125.8	-172.4	-49.6	-177.6	0	0	0	109.3	K115 G119 W148 G153	K115-I117 HydrophobicContact CB-CG1 4.37Å; K115-I117 HydrophobicContact CD-CD1 3.87Å; K115-I117 HydrophobicContact CD-CG1 3.97Å; K115-I117 HydrophobicContact CG-CD1 4.24Å; K115-I117 HydrophobicContact CG-CG1 3.87Å; I117-G119 PolarHBondContact O-N 2.81Å; I117-W148 HydrophobicContact CG2-CE3 4.4Å; I117-W148 HydrophobicContact CG2-CH2 4.22Å; I117-W148 HydrophobicContact CG2-CZ3 3.82Å; I117-G153 VanDerWaalsContact CD1-O 3.25Å; I117-G153 WeakPolarHBondContact CD1-O 3.33Å
118	L	91.9	Very high	87.7	Confident	167 Å²	167	102.8 Å²	102.8	87%	0.874	51%	0.506	S	S	*	.			trans	-85	98.7	166	-68.2	174.1	0	0	0	107.5
119	G	91.9	Very high	89.2	Confident	16 Å²	16	104.7 Å²	104.7	17%	0.165	52%	0.515	C	S	.	.			trans	-112	-34.7	-170.4	0	0	0	0	0	115.3	I117 K146	I117-G119 PolarHBondContact O-N 2.81Å; G119-K146 WeakPolarHBondContact O-CD 3.09Å; G119-K146 WeakPolarHBondContact O-CE 3.19Å; G119-K146 PolarHBondContact O-NZ 3.13Å
120	H	97.3	Very high	90.6	Very high	30 Å²	30	101 Å²	101	14%	0.139	50%	0.498	C	S	.	.			trans	-115.3	157.5	-178	-76.7	-85.7	0	0	0	110.8	V124 T138 S140 D142	H120-V124 HydrophobicContact CB-CG2 4.02Å; H120-T138 PolarHBondContact CD2-OG1 3.35Å; H120-T138 WeakPolarHBondContact NE2-CB 3.22Å; H120-T138 PolarHBondContact NE2-OG1 3.22Å; H120-S140 WeakPolarHBondContact ND1-CB 3.45Å; H120-S140 PolarHBondContact ND1-OG 3.18Å; H120-D142 WeakPolarHBondContact CB-OD2 3.18Å; H120-D142 IonicContact CE1-OD1 2.92Å; H120-D142 IonicContact CG-OD2 3.78Å; H120-D142 VanDerWaalsContact ND1-CG 3.34Å; H120-D142 IonicContact ND1-OD1 2.81Å; H120-D142 PolarHBondContact ND1-OD1 3.01Å; H120-D142 IonicContact ND1-OD2 3.39Å; H120-D142 PolarHBondContact ND1-OD2 2.83Å
121	L	96	Very high	91.5	Very high	168 Å²	168	100.3 Å²	100.3	88%	0.88	49%	0.49	S	S	*	.	S	Bend	trans	-88.1	-9.4	178.3	-63.2	178.1	0	0	0	112.9	D142	L121-D142 HydrophobicContact CB-CB 4.38Å; L121-D142 PolarHBondContact N-OD2 2.86Å
122	S	96.6	Very high	92	Very high	49 Å²	49	98.3 Å²	98.3	34%	0.343	49%	0.485	S	S	.	.	S	Bend	trans	-142	-173	177.2	-165.4	0	0	0	0	110.7	D141	S122-D141 WeakPolarHBondContact OG-CB 3.07Å; S122-D141 PolarHBondContact OG-OD2 2.82Å
123	S	96.4	Very high	92.3	Very high	72 Å²	72	91.3 Å²	91.3	50%	0.503	47%	0.465	S	S	.	.			trans	-58.4	135.2	-178.3	-65.1	0	0	0	0	112.4	S140 D141	S123-S140 VanDerWaalsContact O-CA 3.26Å; S123-S140 WeakPolarHBondContact O-CA 3.49Å; S123-S140 WeakPolarHBondContact O-CB 3.42Å; S123-S140 PolarHBondContact O-OG 3.48Å; S123-D141 PolarHBondContact O-N 3.07Å
124	V	97.4	Very high	92.6	Very high	72 Å²	72	93.3 Å²	93.3	44%	0.436	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.7	172.9	-178.1	0	0	0	0	108.3	H120 T138 G139	H120-V124 HydrophobicContact CB-CG2 4.02Å; V124-T138 HydrophobicContact CG1-CG2 4.25Å; V124-G139 WeakPolarHBondContact CG1-O 3.39Å
125	Y	95.6	Very high	93.1	Very high	136 Å²	136	90.5 Å²	90.5	53%	0.533	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-31.7	-177.1	-72.9	-64.8	0	0	0	113.3	G139 D141 E165	Y125-G139 PolarHBondContact N-O 2.77Å; Y125-D141 HydrophobicContact CD2-CB 4.36Å; Y125-D141 HydrophobicContact CE2-CB 3.73Å; Y125-E165 HydrophobicContact CD2-CB 4.41Å; Y125-E165 HydrophobicContact CE2-CB 4.15Å; Y125-E165 HydrophobicContact CE2-CG 4.42Å
126	C	94.9	Very high	93.7	Very high	16 Å²	16	86.9 Å²	86.9	11%	0.108	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.3	-176	53.1	0	0	0	0	111.8	G139 M169	C126-G139 PolarHBondContact N-O 3.35Å; C126-G139 PolarHBondContact O-N 2.79Å; C126-M169 HydrophobicContact CB-CE 4.39Å; C126-M169 WeakPolarHBondContact O-CE 3.21Å
127	V	97	Very high	94	Very high	95 Å²	95	76.9 Å²	76.9	58%	0.576	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.5	177.6	63.8	0	0	0	0	108.8	I136 F137 T138	V127-I136 HydrophobicContact CG2-CG2 3.69Å; V127-F137 VanDerWaalsContact CA-O 3.29Å; V127-F137 WeakPolarHBondContact CA-O 3.33Å; V127-T138 HydrophobicContact CG2-CG2 4.16Å
128	T	96.4	Very high	94.3	Very high	38 Å²	38	74.2 Å²	74.2	23%	0.233	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.1	174.5	-169.5	0	0	0	0	111	F137 M169 V171	T128-F137 HydrophobicContact CG2-CB 3.85Å; T128-F137 HydrophobicContact CG2-CD2 3.92Å; T128-F137 HydrophobicContact CG2-CG 4.29Å; T128-F137 PolarHBondContact N-O 3.48Å; T128-F137 PolarHBondContact O-N 3.15Å; T128-M169 HydrophobicContact CG2-CB 4.28Å; T128-M169 HydrophobicContact CG2-CE 4.36Å; T128-V171 HydrophobicContact CG2-CG2 4.04Å
129	F	95.6	Very high	94.7	Very high	111 Å²	111	66.3 Å²	66.3	49%	0.487	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	151.3	173.6	-78.5	-100.5	0	0	0	109.7	R135 I136 T150	F129-R135 WeakPolarHBondContact CA-O 3.31Å; F129-I136 HydrophobicContact CD1-CG1 3.73Å; F129-I136 HydrophobicContact CE1-CD1 3.82Å; F129-I136 HydrophobicContact CE1-CG1 3.35Å; F129-I136 HydrophobicContact CE2-CG1 4.18Å; F129-I136 HydrophobicContact CG-CG1 4.32Å; F129-I136 HydrophobicContact CZ-CD1 3.87Å; F129-I136 HydrophobicContact CZ-CG1 3.6Å; F129-T150 HydrophobicContact CD1-CG2 3.91Å; F129-T150 HydrophobicContact CE1-CG2 3.58Å
130	D	92.4	Very high	95	Very high	8 Å²	8	65.5 Å²	65.5	4%	0.043	33%	0.333	C	S	.	.			trans	-66.6	164.6	161.8	90.7	-53.2	0	0	0	110.4	T132 G133 R134 R135 F137 N175	D130-T132 PolarHBondContact O-N 2.87Å; D130-T132 VanDerWaalsContact O-N 3.16Å; D130-T132 PolarHBondContact OD1-OG1 2.96Å; D130-T132 WeakPolarHBondContact OD2-CB 3.41Å; D130-T132 PolarHBondContact OD2-N 3.31Å; D130-T132 PolarHBondContact OD2-OG1 2.89Å; D130-G133 PolarHBondContact O-N 3.47Å; D130-G133 VanDerWaalsContact O-N 3.11Å; D130-G133 WeakPolarHBondContact OD1-CA 3.36Å; D130-G133 PolarHBondContact OD1-N 3.44Å; D130-R134 PolarHBondContact OD1-N 3.33Å; D130-R135 HydrophobicContact CB-CB 4.09Å; D130-R135 PolarHBondContact N-O 3.39Å; D130-R135 PolarHBondContact OD1-N 3.44Å; D130-F137 HydrophobicContact CB-CE2 3.64Å; D130-F137 HydrophobicContact CB-CZ 4.1Å; D130-N175 WeakPolarHBondContact CB-OD1 3.39Å; D130-N175 PolarHBondContact OD2-ND2 3.4Å
131	R	87.2	Confident	95	Very high	125 Å²	125	66.9 Å²	66.9	47%	0.472	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.4	-177	-61.3	-56	-146.2	176.6	3.3	114	V171 Y173 N175	R131-V171 HydrophobicContact CG-CG1 4.44Å; R131-Y173 VanDerWaalsContact NH2-CG 3.34Å; R131-Y173 PolarHBondContact NH2-OH 3.03Å; R131-N175 HydrophobicContact CB-CB 3.89Å; R131-N175 HydrophobicContact CG-CB 3.98Å; R131-N175 PolarHBondContact N-OD1 2.82Å
132	T	85.6	Confident	95.1	Very high	86 Å²	86	60.4 Å²	60.4	53%	0.528	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.7	176.5	73.1	0	0	0	0	113.4	D130 R134	D130-T132 PolarHBondContact O-N 2.87Å; D130-T132 VanDerWaalsContact O-N 3.16Å; D130-T132 PolarHBondContact OD1-OG1 2.96Å; D130-T132 WeakPolarHBondContact OD2-CB 3.41Å; D130-T132 PolarHBondContact OD2-N 3.31Å; D130-T132 PolarHBondContact OD2-OG1 2.89Å; T132-R134 PolarHBondContact O-N 2.74Å; T132-R134 WeakPolarHBondContact OG1-CB 3.46Å; T132-R134 WeakPolarHBondContact OG1-CG 3.32Å; T132-R134 PolarHBondContact OG1-N 3.07Å
133	G	88.6	Confident	95.1	Very high	35 Å²	35	59.6 Å²	59.6	36%	0.361	30%	0.302	S	S	.	.	S	Bend	trans	69.6	17.1	-173.3	0	0	0	0	0	113.8	D130 T150	D130-G133 PolarHBondContact O-N 3.47Å; D130-G133 VanDerWaalsContact O-N 3.11Å; D130-G133 WeakPolarHBondContact OD1-CA 3.36Å; D130-G133 PolarHBondContact OD1-N 3.44Å; G133-T150 WeakPolarHBondContact O-CB 3.45Å; G133-T150 VanDerWaalsContact O-CG2 3.29Å; G133-T150 WeakPolarHBondContact O-CG2 3.28Å; G133-T150 PolarHBondContact O-OG1 3.42Å
134	R	90.6	Very high	95.2	Very high	191 Å²	191	57.6 Å²	57.6	72%	0.721	29%	0.286	S	S	*	.	S	Bend	trans	-94.5	-16.9	179	-66.5	-174	177.9	-160.5	-0.1	113.1	D130 T132 T150	D130-R134 PolarHBondContact OD1-N 3.33Å; T132-R134 PolarHBondContact O-N 2.74Å; T132-R134 WeakPolarHBondContact OG1-CB 3.46Å; T132-R134 WeakPolarHBondContact OG1-CG 3.32Å; T132-R134 PolarHBondContact OG1-N 3.07Å; R134-T150 VanDerWaalsContact C-OG1 3.28Å; R134-T150 WeakPolarHBondContact CA-OG1 3.45Å; R134-T150 PolarHBondContact O-N 2.93Å; R134-T150 VanDerWaalsContact O-N 3.13Å; R134-T150 PolarHBondContact O-OG1 2.8Å
135	R	95.6	Very high	95.3	Very high	86 Å²	86	54.2 Å²	54.2	33%	0.325	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.1	-179.5	-55.2	176.6	-176.2	-177.2	-0.8	111.2	F129 D130 F137 I147 W148 L156 L192	F129-R135 WeakPolarHBondContact CA-O 3.31Å; D130-R135 HydrophobicContact CB-CB 4.09Å; D130-R135 PolarHBondContact N-O 3.39Å; D130-R135 PolarHBondContact OD1-N 3.44Å; R135-F137 HydrophobicContact CB-CE2 4.41Å; R135-F137 HydrophobicContact CB-CZ 4.19Å; R135-I147 HydrophobicContact CB-CG2 4.18Å; R135-I147 HydrophobicContact CG-CG2 4.48Å; R135-W148 CarbonylContact C-O 3.57Å; R135-W148 WeakPolarHBondContact CA-O 3.44Å; R135-L156 HydrophobicContact CG-CD1 4.18Å; R135-L192 PolarHBondContact NH1-O 3.35Å
136	I	97.6	Very high	95.4	Very high	41 Å²	41	49.2 Å²	49.2	21%	0.21	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.5	169.1	-67.8	153.6	0	0	0	108.1	V127 F129 T138 I147 W148 T150	V127-I136 HydrophobicContact CG2-CG2 3.69Å; F129-I136 HydrophobicContact CD1-CG1 3.73Å; F129-I136 HydrophobicContact CE1-CD1 3.82Å; F129-I136 HydrophobicContact CE1-CG1 3.35Å; F129-I136 HydrophobicContact CE2-CG1 4.18Å; F129-I136 HydrophobicContact CG-CG1 4.32Å; F129-I136 HydrophobicContact CZ-CD1 3.87Å; F129-I136 HydrophobicContact CZ-CG1 3.6Å; I136-T138 HydrophobicContact CG2-CG2 4.07Å; I136-I147 CarbonylContact O-C 3.56Å; I136-I147 WeakPolarHBondContact O-CA 2.95Å; I136-W148 HydrophobicContact CB-CB 4.27Å; I136-W148 PolarHBondContact N-O 3.08Å; I136-W148 PolarHBondContact O-N 3.42Å; I136-T150 HydrophobicContact CD1-CG2 3.68Å; I136-T150 HydrophobicContact CG1-CG2 3.58Å
137	F	98.3	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.7	171.3	-52.5	-84.7	0	0	0	108.8	V127 T128 D130 R135 K146 I147 M169 V171 I178 L192	V127-F137 VanDerWaalsContact CA-O 3.29Å; V127-F137 WeakPolarHBondContact CA-O 3.33Å; T128-F137 HydrophobicContact CG2-CB 3.85Å; T128-F137 HydrophobicContact CG2-CD2 3.92Å; T128-F137 HydrophobicContact CG2-CG 4.29Å; T128-F137 PolarHBondContact N-O 3.48Å; T128-F137 PolarHBondContact O-N 3.15Å; D130-F137 HydrophobicContact CB-CE2 3.64Å; D130-F137 HydrophobicContact CB-CZ 4.1Å; R135-F137 HydrophobicContact CB-CE2 4.41Å; R135-F137 HydrophobicContact CB-CZ 4.19Å; F137-K146 CarbonylContact C-O 3.59Å; F137-K146 VanDerWaalsContact CA-O 3.3Å; F137-K146 WeakPolarHBondContact CA-O 3.18Å; F137-I147 HydrophobicContact CD1-CB 4.31Å; F137-I147 HydrophobicContact CD1-CD1 4.27Å; F137-I147 HydrophobicContact CD1-CG1 3.8Å; F137-I147 HydrophobicContact CD1-CG2 4.06Å; F137-I147 HydrophobicContact CE1-CB 4.32Å; F137-I147 HydrophobicContact CE1-CD1 3.86Å; F137-I147 HydrophobicContact CE1-CG1 3.86Å; F137-I147 HydrophobicContact CE1-CG2 3.72Å; F137-I147 HydrophobicContact CZ-CG2 4.48Å; F137-M169 HydrophobicContact CB-CE 4.07Å; F137-M169 HydrophobicContact CB-SD 4.46Å; F137-M169 WeakPolarHBondContact O-CE 3.28Å; F137-V171 HydrophobicContact CD2-CG2 3.78Å; F137-V171 HydrophobicContact CE2-CG2 3.57Å; F137-V171 HydrophobicContact CZ-CG2 4.38Å; F137-I178 HydrophobicContact CB-CD1 3.63Å; F137-I178 HydrophobicContact CD1-CD1 3.35Å; F137-I178 HydrophobicContact CD2-CD1 3.97Å; F137-I178 HydrophobicContact CE1-CD1 3.95Å; F137-I178 HydrophobicContact CE2-CD1 4.47Å; F137-I178 HydrophobicContact CG-CD1 3.36Å; F137-I178 HydrophobicContact CZ-CD1 4.48Å; F137-L192 HydrophobicContact CE1-CD2 3.37Å; F137-L192 HydrophobicContact CE2-CD2 4.42Å; F137-L192 HydrophobicContact CZ-CD1 4.17Å; F137-L192 HydrophobicContact CZ-CD2 3.31Å; F137-L192 HydrophobicContact CZ-CG 4.38Å
138	T	98.4	Very high	95.6	Very high	17 Å²	17	45.1 Å²	45.1	10%	0.104	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.8	175.6	52.9	0	0	0	0	110.1	H120 V124 V127 I136 V145 K146 W148 M169	H120-T138 PolarHBondContact CD2-OG1 3.35Å; H120-T138 WeakPolarHBondContact NE2-CB 3.22Å; H120-T138 PolarHBondContact NE2-OG1 3.22Å; V124-T138 HydrophobicContact CG1-CG2 4.25Å; V127-T138 HydrophobicContact CG2-CG2 4.16Å; I136-T138 HydrophobicContact CG2-CG2 4.07Å; T138-V145 CarbonylContact O-C 3.59Å; T138-V145 VanDerWaalsContact O-CA 3.27Å; T138-V145 WeakPolarHBondContact O-CA 3.36Å; T138-K146 PolarHBondContact N-O 2.72Å; T138-K146 PolarHBondContact O-N 3.21Å; T138-W148 PolarHBondContact OG1-NE1 3.33Å; T138-M169 VanDerWaalsContact C-CE 3.47Å
139	G	98.3	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.7	176.9	0	0	0	0	0	109.6	V124 Y125 C126	V124-G139 WeakPolarHBondContact CG1-O 3.39Å; Y125-G139 PolarHBondContact N-O 2.77Å; C126-G139 PolarHBondContact N-O 3.35Å; C126-G139 PolarHBondContact O-N 2.79Å
140	S	98.3	Very high	95.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	164.5	-166.5	147.3	0	0	0	0	112.8	H120 S123 D142 C143 L144 I166	H120-S140 WeakPolarHBondContact ND1-CB 3.45Å; H120-S140 PolarHBondContact ND1-OG 3.18Å; S123-S140 VanDerWaalsContact O-CA 3.26Å; S123-S140 WeakPolarHBondContact O-CA 3.49Å; S123-S140 WeakPolarHBondContact O-CB 3.42Å; S123-S140 PolarHBondContact O-OG 3.48Å; S140-D142 WeakPolarHBondContact CB-OD1 3.17Å; S140-D142 PolarHBondContact O-N 2.85Å; S140-D142 PolarHBondContact OG-N 2.86Å; S140-D142 PolarHBondContact OG-OD1 3.1Å; S140-C143 PolarHBondContact O-N 2.82Å; S140-L144 PolarHBondContact N-O 3.22Å; S140-I166 PolarHBondContact O-N 2.86Å
141	D	97.8	Very high	95.5	Very high	58 Å²	58	45.4 Å²	45.4	31%	0.31	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21	173	-173.1	55.8	0	0	0	113.4	S122 S123 Y125 C143 E165	S122-D141 WeakPolarHBondContact OG-CB 3.07Å; S122-D141 PolarHBondContact OG-OD2 2.82Å; S123-D141 PolarHBondContact O-N 3.07Å; Y125-D141 HydrophobicContact CD2-CB 4.36Å; Y125-D141 HydrophobicContact CE2-CB 3.73Å; D141-C143 PolarHBondContact O-N 2.92Å; D141-E165 HydrophobicContact CB-CB 4.27Å; D141-E165 WeakPolarHBondContact OD1-CB 3.28Å
142	D	97.8	Very high	95.7	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.171	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	10.6	169.5	71.1	-3.6	0	0	0	114.4	H120 L121 S140 L144	H120-D142 WeakPolarHBondContact CB-OD2 3.18Å; H120-D142 IonicContact CE1-OD1 2.92Å; H120-D142 IonicContact CG-OD2 3.78Å; H120-D142 VanDerWaalsContact ND1-CG 3.34Å; H120-D142 IonicContact ND1-OD1 2.81Å; H120-D142 PolarHBondContact ND1-OD1 3.01Å; H120-D142 IonicContact ND1-OD2 3.39Å; H120-D142 PolarHBondContact ND1-OD2 2.83Å; L121-D142 HydrophobicContact CB-CB 4.38Å; L121-D142 PolarHBondContact N-OD2 2.86Å; S140-D142 WeakPolarHBondContact CB-OD1 3.17Å; S140-D142 PolarHBondContact O-N 2.85Å; S140-D142 PolarHBondContact OG-N 2.86Å; S140-D142 PolarHBondContact OG-OD1 3.1Å; D142-L144 WeakPolarHBondContact O-CG 3.29Å; D142-L144 PolarHBondContact O-N 3.32Å; D142-L144 WeakPolarHBondContact OD1-CB 3.3Å; D142-L144 PolarHBondContact OD1-N 2.92Å
143	C	98.2	Very high	96.1	Very high	32 Å²	32	39.5 Å²	39.5	22%	0.216	20%	0.203	C	C	.	.	S	Bend	trans	65.2	14.1	179.3	-50.8	0	0	0	0	114.4	S140 D141 A164	S140-C143 PolarHBondContact O-N 2.82Å; D141-C143 PolarHBondContact O-N 2.92Å; C143-A164 WeakPolarHBondContact SG-CA 3.44Å; C143-A164 PolarHBondContact SG-N 2.87Å; C143-A164 PolarHBondContact SG-O 3.27Å; C143-A164 VanDerWaalsContact SG-O 3.4Å
144	L	98.3	Very high	96.4	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.162	21%	0.214	C	C	.	.			trans	-109.2	146.3	-176.5	-58.5	178.3	0	0	0	112.1	S140 D142 T158 R160	S140-L144 PolarHBondContact N-O 3.22Å; D142-L144 WeakPolarHBondContact O-CG 3.29Å; D142-L144 PolarHBondContact O-N 3.32Å; D142-L144 WeakPolarHBondContact OD1-CB 3.3Å; D142-L144 PolarHBondContact OD1-N 2.92Å; L144-T158 HydrophobicContact CB-CG2 4.27Å; L144-T158 HydrophobicContact CD1-CG2 3.94Å; L144-T158 HydrophobicContact CD2-CG2 3.97Å; L144-T158 HydrophobicContact CG-CG2 4.29Å; L144-R160 HydrophobicContact CD2-CG 3.7Å
145	V	98.6	Very high	96.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.6	160.6	175.9	0	0	0	0	108.7	T138 L159 I166 M169 I178 A180	T138-V145 CarbonylContact O-C 3.59Å; T138-V145 VanDerWaalsContact O-CA 3.27Å; T138-V145 WeakPolarHBondContact O-CA 3.36Å; V145-L159 HydrophobicContact CB-CB 4.13Å; V145-L159 HydrophobicContact CB-CD1 4.32Å; V145-L159 HydrophobicContact CG1-CD1 3.98Å; V145-L159 HydrophobicContact CG1-CG 4.5Å; V145-L159 PolarHBondContact N-O 3.31Å; V145-L159 PolarHBondContact O-N 2.92Å; V145-I166 HydrophobicContact CG2-CD1 4.12Å; V145-I166 HydrophobicContact CG2-CG1 3.95Å; V145-I166 HydrophobicContact CG2-CG2 4.15Å; V145-M169 HydrophobicContact CB-SD 4.22Å; V145-M169 HydrophobicContact CG1-SD 3.56Å; V145-M169 VanDerWaalsContact CG1-SD 3.56Å; V145-M169 HydrophobicContact CG2-SD 3.69Å; V145-I178 HydrophobicContact CG1-CD1 4.39Å; V145-A180 HydrophobicContact CG2-CB 3.73Å
146	K	98.5	Very high	96.8	Very high	30 Å²	30	38.8 Å²	38.8	13%	0.13	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.4	178.5	-69.1	-173.8	-180	-156.5	0	111.2	G119 F137 T138 W148 L155 T158	G119-K146 WeakPolarHBondContact O-CD 3.09Å; G119-K146 WeakPolarHBondContact O-CE 3.19Å; G119-K146 PolarHBondContact O-NZ 3.13Å; F137-K146 CarbonylContact C-O 3.59Å; F137-K146 VanDerWaalsContact CA-O 3.3Å; F137-K146 WeakPolarHBondContact CA-O 3.18Å; T138-K146 PolarHBondContact N-O 2.72Å; T138-K146 PolarHBondContact O-N 3.21Å; K146-W148 HydrophobicContact CB-CZ2 3.77Å; K146-W148 HydrophobicContact CD-CH2 4.15Å; K146-W148 HydrophobicContact CD-CZ2 3.58Å; K146-W148 HydrophobicContact CG-CZ2 4.3Å; K146-L155 HydrophobicContact CB-CD1 3.78Å; K146-L155 HydrophobicContact CD-CD1 3.97Å; K146-L155 HydrophobicContact CG-CD1 4.03Å; K146-T158 HydrophobicContact CG-CG2 4.24Å
147	I	98.3	Very high	96.8	Very high	3 Å²	3	38 Å²	38	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.1	177.7	-45.7	-174.5	0	0	0	108.3	R135 I136 F137 L156 A157 L159	R135-I147 HydrophobicContact CB-CG2 4.18Å; R135-I147 HydrophobicContact CG-CG2 4.48Å; I136-I147 CarbonylContact O-C 3.56Å; I136-I147 WeakPolarHBondContact O-CA 2.95Å; F137-I147 HydrophobicContact CD1-CB 4.31Å; F137-I147 HydrophobicContact CD1-CD1 4.27Å; F137-I147 HydrophobicContact CD1-CG1 3.8Å; F137-I147 HydrophobicContact CD1-CG2 4.06Å; F137-I147 HydrophobicContact CE1-CB 4.32Å; F137-I147 HydrophobicContact CE1-CD1 3.86Å; F137-I147 HydrophobicContact CE1-CG1 3.86Å; F137-I147 HydrophobicContact CE1-CG2 3.72Å; F137-I147 HydrophobicContact CZ-CG2 4.48Å; I147-L156 HydrophobicContact CB-CB 4.33Å; I147-L156 HydrophobicContact CG2-CB 4.27Å; I147-L156 HydrophobicContact CG2-CD1 4.25Å; I147-L156 WeakPolarHBondContact O-CB 3.39Å; I147-L156 PolarHBondContact O-N 2.93Å; I147-A157 HydrophobicContact CB-CB 4.33Å; I147-A157 HydrophobicContact CD1-CB 4.01Å; I147-A157 HydrophobicContact CG1-CB 4.2Å; I147-A157 PolarHBondContact N-O 2.98Å; I147-A157 PolarHBondContact O-N 2.79Å; I147-L159 HydrophobicContact CD1-CD1 4.26Å; I147-L159 HydrophobicContact CD1-CD2 4.24Å; I147-L159 HydrophobicContact CD1-CG 4.32Å; I147-L159 HydrophobicContact CG1-CG 4.47Å
148	W	97.9	Very high	96.8	Very high	23 Å²	23	39.5 Å²	39.5	9%	0.087	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.2	-178.3	-47.6	86.1	0	0	0	110.4	I117 R135 I136 T138 K146 R154 L155	I117-W148 HydrophobicContact CG2-CE3 4.4Å; I117-W148 HydrophobicContact CG2-CH2 4.22Å; I117-W148 HydrophobicContact CG2-CZ3 3.82Å; R135-W148 CarbonylContact C-O 3.57Å; R135-W148 WeakPolarHBondContact CA-O 3.44Å; I136-W148 HydrophobicContact CB-CB 4.27Å; I136-W148 PolarHBondContact N-O 3.08Å; I136-W148 PolarHBondContact O-N 3.42Å; T138-W148 PolarHBondContact OG1-NE1 3.33Å; K146-W148 HydrophobicContact CB-CZ2 3.77Å; K146-W148 HydrophobicContact CD-CH2 4.15Å; K146-W148 HydrophobicContact CD-CZ2 3.58Å; K146-W148 HydrophobicContact CG-CZ2 4.3Å; W148-R154 CarbonylContact C-O 3.54Å; W148-R154 VanDerWaalsContact CA-O 3.3Å; W148-R154 WeakPolarHBondContact CA-O 3.21Å; W148-L155 HydrophobicContact CD2-CD1 4.11Å; W148-L155 HydrophobicContact CE3-CB 3.93Å; W148-L155 HydrophobicContact CE3-CD1 4.05Å; W148-L155 HydrophobicContact CH2-CB 4.26Å; W148-L155 HydrophobicContact CH2-CD1 3.82Å; W148-L155 HydrophobicContact CH2-CG 4.46Å; W148-L155 HydrophobicContact CZ2-CD1 3.91Å; W148-L155 HydrophobicContact CZ3-CB 3.65Å; W148-L155 HydrophobicContact CZ3-CD1 3.91Å; W148-L155 HydrophobicContact CZ3-CG 4.3Å
149	A	96.3	Very high	96.8	Very high	9 Å²	9	39.1 Å²	39.1	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.7	168.3	0	0	0	0	0	110	D151 D152 G153 R154 L156	A149-D151 WeakPolarHBondContact CB-OD1 3.32Å; A149-D152 WeakPolarHBondContact CB-OD1 3.32Å; A149-G153 WeakPolarHBondContact O-CA 3.48Å; A149-G153 PolarHBondContact O-N 2.78Å; A149-R154 PolarHBondContact N-O 3.4Å; A149-L156 HydrophobicContact CB-CD1 3.97Å; A149-L156 HydrophobicContact CB-CD2 4.1Å; A149-L156 HydrophobicContact CB-CG 4.07Å
150	T	93.1	Very high	96.8	Very high	40 Å²	40	47.3 Å²	47.3	25%	0.245	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-25.7	-175.7	50.4	0	0	0	0	114	F129 G133 R134 I136	F129-T150 HydrophobicContact CD1-CG2 3.91Å; F129-T150 HydrophobicContact CE1-CG2 3.58Å; G133-T150 WeakPolarHBondContact O-CB 3.45Å; G133-T150 VanDerWaalsContact O-CG2 3.29Å; G133-T150 WeakPolarHBondContact O-CG2 3.28Å; G133-T150 PolarHBondContact O-OG1 3.42Å; R134-T150 VanDerWaalsContact C-OG1 3.28Å; R134-T150 WeakPolarHBondContact CA-OG1 3.45Å; R134-T150 PolarHBondContact O-N 2.93Å; R134-T150 VanDerWaalsContact O-N 3.13Å; R134-T150 PolarHBondContact O-OG1 2.8Å; I136-T150 HydrophobicContact CD1-CG2 3.68Å; I136-T150 HydrophobicContact CG1-CG2 3.58Å
151	D	92.3	Very high	96.7	Very high	114 Å²	114	49.4 Å²	49.4	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-54.1	-178.9	53.3	-18.8	0	0	0	111.9	H114 A149	H114-D151 PolarHBondContact NE2-O 3.38Å; A149-D151 WeakPolarHBondContact CB-OD1 3.32Å
152	D	91.2	Very high	96.7	Very high	77 Å²	77	47.4 Å²	47.4	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7.6	-174.9	73.7	-2	0	0	0	113.7	K115 A149 R154	K115-D152 WeakPolarHBondContact CD-O 3.29Å; K115-D152 PolarHBondContact NZ-O 3.38Å; A149-D152 WeakPolarHBondContact CB-OD1 3.32Å; D152-R154 VanDerWaalsContact C-N 3.29Å; D152-R154 PolarHBondContact O-N 3.04Å; D152-R154 WeakPolarHBondContact OD1-CB 3.3Å; D152-R154 PolarHBondContact OD1-N 2.91Å
153	G	93.4	Very high	96.7	Very high	10 Å²	10	50 Å²	50	10%	0.103	27%	0.273	C	S	.	.			trans	71.5	17.1	-177.2	0	0	0	0	0	114.4	I117 A149	I117-G153 VanDerWaalsContact CD1-O 3.25Å; I117-G153 WeakPolarHBondContact CD1-O 3.33Å; A149-G153 WeakPolarHBondContact O-CA 3.48Å; A149-G153 PolarHBondContact O-N 2.78Å
154	R	95.5	Very high	96.7	Very high	159 Å²	159	49.4 Å²	49.4	60%	0.6	27%	0.269	S	S	*	.			trans	-70.2	140	179.7	-168.3	-177.9	98	155.7	4.7	111.1	W148 A149 D152 L156	W148-R154 CarbonylContact C-O 3.54Å; W148-R154 VanDerWaalsContact CA-O 3.3Å; W148-R154 WeakPolarHBondContact CA-O 3.21Å; A149-R154 PolarHBondContact N-O 3.4Å; D152-R154 VanDerWaalsContact C-N 3.29Å; D152-R154 PolarHBondContact O-N 3.04Å; D152-R154 WeakPolarHBondContact OD1-CB 3.3Å; D152-R154 PolarHBondContact OD1-N 2.91Å; R154-L156 PolarHBondContact O-N 3.4Å
155	L	97.6	Very high	96.7	Very high	68 Å²	68	51 Å²	51	36%	0.356	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.2	168	-176.5	63.9	0	0	0	109.2	K146 W148 A157	K146-L155 HydrophobicContact CB-CD1 3.78Å; K146-L155 HydrophobicContact CD-CD1 3.97Å; K146-L155 HydrophobicContact CG-CD1 4.03Å; W148-L155 HydrophobicContact CD2-CD1 4.11Å; W148-L155 HydrophobicContact CE3-CB 3.93Å; W148-L155 HydrophobicContact CE3-CD1 4.05Å; W148-L155 HydrophobicContact CH2-CB 4.26Å; W148-L155 HydrophobicContact CH2-CD1 3.82Å; W148-L155 HydrophobicContact CH2-CG 4.46Å; W148-L155 HydrophobicContact CZ2-CD1 3.91Å; W148-L155 HydrophobicContact CZ3-CB 3.65Å; W148-L155 HydrophobicContact CZ3-CD1 3.91Å; W148-L155 HydrophobicContact CZ3-CG 4.3Å; L155-A157 WeakPolarHBondContact CD1-O 3.43Å
156	L	97.3	Very high	96.7	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.366	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-43.1	179	-63.3	179.3	0	0	0	111.8	R135 I147 A149 R154	R135-L156 HydrophobicContact CG-CD1 4.18Å; I147-L156 HydrophobicContact CB-CB 4.33Å; I147-L156 HydrophobicContact CG2-CB 4.27Å; I147-L156 HydrophobicContact CG2-CD1 4.25Å; I147-L156 WeakPolarHBondContact O-CB 3.39Å; I147-L156 PolarHBondContact O-N 2.93Å; A149-L156 HydrophobicContact CB-CD1 3.97Å; A149-L156 HydrophobicContact CB-CD2 4.1Å; A149-L156 HydrophobicContact CB-CG 4.07Å; R154-L156 PolarHBondContact O-N 3.4Å
157	A	98.1	Very high	96.7	Very high	23 Å²	23	51.1 Å²	51.1	19%	0.19	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.8	-179.5	0	0	0	0	0	111.8	I147 L155	I147-A157 HydrophobicContact CB-CB 4.33Å; I147-A157 HydrophobicContact CD1-CB 4.01Å; I147-A157 HydrophobicContact CG1-CB 4.2Å; I147-A157 PolarHBondContact N-O 2.98Å; I147-A157 PolarHBondContact O-N 2.79Å; L155-A157 WeakPolarHBondContact CD1-O 3.43Å
158	T	98.3	Very high	96.6	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.202	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115	170.7	-61	0	0	0	0	108.5	L144 K146 R160	L144-T158 HydrophobicContact CB-CG2 4.27Å; L144-T158 HydrophobicContact CD1-CG2 3.94Å; L144-T158 HydrophobicContact CD2-CG2 3.97Å; L144-T158 HydrophobicContact CG-CG2 4.29Å; K146-T158 HydrophobicContact CG-CG2 4.24Å; T158-R160 HydrophobicContact CG2-CG 4.33Å
159	L	98.4	Very high	96.6	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.8	176.5	-45.9	177.6	0	0	0	108.3	V145 I147 I178 W190 C195	V145-L159 HydrophobicContact CB-CB 4.13Å; V145-L159 HydrophobicContact CB-CD1 4.32Å; V145-L159 HydrophobicContact CG1-CD1 3.98Å; V145-L159 HydrophobicContact CG1-CG 4.5Å; V145-L159 PolarHBondContact N-O 3.31Å; V145-L159 PolarHBondContact O-N 2.92Å; I147-L159 HydrophobicContact CD1-CD1 4.26Å; I147-L159 HydrophobicContact CD1-CD2 4.24Å; I147-L159 HydrophobicContact CD1-CG 4.32Å; I147-L159 HydrophobicContact CG1-CG 4.47Å; L159-I178 HydrophobicContact CD1-CG2 3.97Å; L159-W190 HydrophobicContact CB-CD2 4.21Å; L159-W190 HydrophobicContact CB-CZ2 4.06Å; L159-W190 HydrophobicContact CD1-CB 4.11Å; L159-W190 HydrophobicContact CD1-CD2 3.77Å; L159-W190 HydrophobicContact CD1-CE3 3.93Å; L159-W190 HydrophobicContact CD1-CG 3.87Å; L159-W190 HydrophobicContact CD2-CG 4.26Å; L159-W190 HydrophobicContact CG-CD2 4.46Å; L159-W190 HydrophobicContact CG-CG 4.45Å; L159-C195 HydrophobicContact CD2-CB 3.76Å
160	R	97.6	Very high	96.7	Very high	172 Å²	172	52 Å²	52	65%	0.649	29%	0.287	S	S	*	.			trans	-112.3	164.2	-178.6	-68.7	-175.8	175.6	80.7	-2.9	110.6	L144 T158	L144-R160 HydrophobicContact CD2-CG 3.7Å; T158-R160 HydrophobicContact CG2-CG 4.33Å
161	G	96.7	Very high	96.9	Very high	44 Å²	44	50.7 Å²	50.7	45%	0.454	28%	0.279	S	S	.	.			trans	135.1	-21.2	166.8	0	0	0	0	0	114.3	R188	G161-R188 VanDerWaalsContact C-CZ 3.49Å; G161-R188 VanDerWaalsContact C-NE 3.28Å; G161-R188 PolarHBondContact O-NE 3.42Å; G161-R188 PolarHBondContact O-NH2 2.87Å
162	H	98.1	Very high	97	Very high	16 Å²	16	45.3 Å²	45.3	7%	0.074	25%	0.25	C	C	.	.			trans	-70.4	148.7	172.5	-74.6	-79.9	0	0	0	111.4	I166 A180 S182 D184 M186 R188 W190	H162-I166 HydrophobicContact CB-CD1 3.72Å; H162-I166 WeakPolarHBondContact CD2-CD1 3.4Å; H162-I166 VanDerWaalsContact CG-CD1 3.48Å; H162-A180 PolarHBondContact CE1-O 2.76Å; H162-A180 PolarHBondContact NE2-O 3.32Å; H162-S182 WeakPolarHBondContact ND1-CB 3.29Å; H162-D184 WeakPolarHBondContact CA-OD2 3.28Å; H162-D184 IonicContact CG-OD2 3.14Å; H162-D184 IonicContact ND1-OD1 3.93Å; H162-D184 PolarHBondContact ND1-OD1 3.43Å; H162-D184 IonicContact ND1-OD2 3.48Å; H162-D184 PolarHBondContact ND1-OD2 2.67Å; H162-M186 PolarHBondContact CE1-O 3.45Å; H162-M186 VanDerWaalsContact CE1-O 3.32Å; H162-R188 PolarHBondContact CE1-NH1 3.05Å; H162-R188 PolarHBondContact ND1-NH1 3.06Å; H162-W190 AromaticContact CD2-CH2 3.77Å; H162-W190 AromaticContact NE2-CH2 3.56Å
163	A	98	Very high	96.9	Very high	88 Å²	88	46.4 Å²	46.4	73%	0.727	25%	0.249	S	C	*	.	S	Bend	trans	-108.1	2.7	-179.5	0	0	0	0	0	113.4	D184	A163-D184 HydrophobicContact CB-CB 4.19Å; A163-D184 PolarHBondContact N-OD2 3.4Å
164	A	98.2	Very high	96.6	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	26%	0.258	C	S	.	.	S	Bend	trans	-151.4	178.8	176.2	0	0	0	0	0	109.5	C143 S182 C183 D184	C143-A164 WeakPolarHBondContact SG-CA 3.44Å; C143-A164 PolarHBondContact SG-N 2.87Å; C143-A164 PolarHBondContact SG-O 3.27Å; C143-A164 VanDerWaalsContact SG-O 3.4Å; A164-S182 PolarHBondContact O-OG 3.31Å; A164-C183 HydrophobicContact CB-CB 4.05Å; A164-D184 HydrophobicContact CB-CB 3.9Å
165	E	97.7	Very high	96.5	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	24%	0.24	S	C	.	.			trans	-53.2	144.2	-177.8	63.1	-87	-162	0	0	113.2	Y125 D141 S167 S182 C183	Y125-E165 HydrophobicContact CD2-CB 4.41Å; Y125-E165 HydrophobicContact CE2-CB 4.15Å; Y125-E165 HydrophobicContact CE2-CG 4.42Å; D141-E165 HydrophobicContact CB-CB 4.27Å; D141-E165 WeakPolarHBondContact OD1-CB 3.28Å; E165-S167 PolarHBondContact O-N 2.91Å; E165-S182 WeakPolarHBondContact O-CA 3.35Å; E165-S182 WeakPolarHBondContact O-CB 3.4Å; E165-S182 PolarHBondContact O-OG 3.4Å; E165-C183 HydrophobicContact CG-CB 3.85Å; E165-C183 VanDerWaalsContact CG-SG 3.54Å; E165-C183 PolarHBondContact O-N 3.13Å; E165-C183 VanDerWaalsContact O-N 3.11Å; E165-C183 WeakPolarHBondContact OE1-CB 3.35Å; E165-C183 PolarHBondContact OE1-SG 2.78Å
166	I	98.6	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.3	173.6	-51.2	-57.2	0	0	0	108.4	S140 V145 H162 M169 A180 G181	S140-I166 PolarHBondContact O-N 2.86Å; V145-I166 HydrophobicContact CG2-CD1 4.12Å; V145-I166 HydrophobicContact CG2-CG1 3.95Å; V145-I166 HydrophobicContact CG2-CG2 4.15Å; H162-I166 HydrophobicContact CB-CD1 3.72Å; H162-I166 WeakPolarHBondContact CD2-CD1 3.4Å; H162-I166 VanDerWaalsContact CG-CD1 3.48Å; I166-M169 HydrophobicContact CG2-CG 3.77Å; I166-M169 HydrophobicContact CG2-SD 4.27Å; I166-A180 HydrophobicContact CG2-CB 4.09Å; I166-G181 WeakPolarHBondContact CA-O 3.44Å
167	S	97.3	Very high	96.3	Very high	34 Å²	34	38.7 Å²	38.7	24%	0.238	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-37	-175.1	55.3	0	0	0	0	113.2	E165 G181 I208	E165-S167 PolarHBondContact O-N 2.91Å; S167-G181 PolarHBondContact N-O 3.11Å; S167-G181 PolarHBondContact OG-O 2.85Å; S167-I208 WeakPolarHBondContact CB-O 3.46Å; S167-I208 PolarHBondContact OG-O 3.13Å
168	D	97.8	Very high	96.3	Very high	37 Å²	37	37.7 Å²	37.7	20%	0.198	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	159.7	176.6	-160.1	5.7	0	0	0	111.5	A180 G181 S210 L211	D168-A180 WeakPolarHBondContact O-CA 3.35Å; D168-G181 PolarHBondContact O-N 3.44Å; D168-S210 WeakPolarHBondContact OD2-CA 3.42Å; D168-S210 PolarHBondContact OD2-OG 3.35Å; D168-L211 HydrophobicContact CB-CB 4.46Å; D168-L211 PolarHBondContact OD2-N 2.59Å
169	M	98.2	Very high	96.3	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	143	177.8	-64.5	-175.2	-58.2	0	0	112	C126 T128 F137 T138 V145 I166 I178 A179 A180	C126-M169 HydrophobicContact CB-CE 4.39Å; C126-M169 WeakPolarHBondContact O-CE 3.21Å; T128-M169 HydrophobicContact CG2-CB 4.28Å; T128-M169 HydrophobicContact CG2-CE 4.36Å; F137-M169 HydrophobicContact CB-CE 4.07Å; F137-M169 HydrophobicContact CB-SD 4.46Å; F137-M169 WeakPolarHBondContact O-CE 3.28Å; T138-M169 VanDerWaalsContact C-CE 3.47Å; V145-M169 HydrophobicContact CB-SD 4.22Å; V145-M169 HydrophobicContact CG1-SD 3.56Å; V145-M169 VanDerWaalsContact CG1-SD 3.56Å; V145-M169 HydrophobicContact CG2-SD 3.69Å; I166-M169 HydrophobicContact CG2-CG 3.77Å; I166-M169 HydrophobicContact CG2-SD 4.27Å; M169-I178 HydrophobicContact SD-CD1 4.38Å; M169-A179 CarbonylContact C-O 3.55Å; M169-A179 VanDerWaalsContact CA-O 3.27Å; M169-A179 WeakPolarHBondContact CA-O 3.44Å; M169-A180 HydrophobicContact CG-CB 3.85Å
170	A	97.9	Very high	96.3	Very high	8 Å²	8	35.7 Å²	35.7	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.2	176.8	0	0	0	0	0	111.8	I178 A179 L211 F213	A170-I178 WeakPolarHBondContact O-CA 3.4Å; A170-A179 PolarHBondContact N-O 3.23Å; A170-A179 PolarHBondContact O-N 3.43Å; A170-L211 HydrophobicContact CB-CB 4.26Å; A170-F213 HydrophobicContact CB-CD2 3.77Å; A170-F213 HydrophobicContact CB-CE2 4.23Å; A170-F213 WeakPolarHBondContact O-CE2 3.45Å
171	V	97.1	Very high	96.3	Very high	12 Å²	12	27.5 Å²	27.5	7%	0.073	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.2	169.3	176.3	0	0	0	0	108.5	T128 R131 F137 N175 I178 L192 F213	T128-V171 HydrophobicContact CG2-CG2 4.04Å; R131-V171 HydrophobicContact CG-CG1 4.44Å; F137-V171 HydrophobicContact CD2-CG2 3.78Å; F137-V171 HydrophobicContact CE2-CG2 3.57Å; F137-V171 HydrophobicContact CZ-CG2 4.38Å; V171-N175 WeakPolarHBondContact CG1-OD1 3.5Å; V171-I178 HydrophobicContact CG2-CD1 4.32Å; V171-I178 HydrophobicContact CG2-CG1 4.37Å; V171-L192 HydrophobicContact CG1-CD1 3.91Å; V171-F213 VanDerWaalsContact C-CD2 3.43Å
172	N	94.2	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.			trans	-72.1	163.4	179.3	75.2	-38.4	0	0	0	112.6	E174 N175 T176 M177 F213 W238	N172-E174 VanDerWaalsContact C-N 3.31Å; N172-E174 PolarHBondContact ND2-OE2 3.34Å; N172-E174 PolarHBondContact O-N 3.26Å; N172-N175 PolarHBondContact O-N 3.38Å; N172-N175 VanDerWaalsContact O-N 3.12Å; N172-N175 PolarHBondContact OD1-N 3.12Å; N172-T176 PolarHBondContact ND2-OG1 2.88Å; N172-T176 PolarHBondContact OD1-N 2.98Å; N172-M177 PolarHBondContact N-O 2.83Å; N172-M177 VanDerWaalsContact N-O 3.16Å; N172-M177 PolarHBondContact OD1-N 3.13Å; N172-M177 PolarHBondContact OD1-O 3.06Å; N172-M177 VanDerWaalsContact OD1-O 3.12Å; N172-F213 VanDerWaalsContact CA-CD2 3.47Å; N172-F213 HydrophobicContact CB-CB 4.22Å; N172-F213 HydrophobicContact CB-CD1 3.63Å; N172-F213 HydrophobicContact CB-CD2 3.76Å; N172-F213 HydrophobicContact CB-CE1 3.83Å; N172-F213 HydrophobicContact CB-CE2 3.94Å; N172-F213 HydrophobicContact CB-CG 3.59Å; N172-F213 HydrophobicContact CB-CZ 3.98Å; N172-F213 VanDerWaalsContact N-CD2 3.31Å; N172-W238 HydrophobicContact CB-CZ2 4.19Å; N172-W238 WeakPolarHBondContact ND2-CH2 3.08Å
173	Y	89.1	Confident	96.4	Very high	101 Å²	101	26.4 Å²	26.4	40%	0.396	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.2	-176.4	-81.4	-102.8	0	0	0	112.9	R131 N175 F213 S214 P215	R131-Y173 VanDerWaalsContact NH2-CG 3.34Å; R131-Y173 PolarHBondContact NH2-OH 3.03Å; Y173-N175 PolarHBondContact O-N 3.27Å; Y173-F213 HydrophobicContact CD2-CB 4.38Å; Y173-F213 WeakPolarHBondContact CE2-O 3.2Å; Y173-S214 WeakPolarHBondContact CD2-O 3.41Å; Y173-P215 HydrophobicContact CD1-CB 4.27Å; Y173-P215 HydrophobicContact CD2-CB 4.42Å; Y173-P215 HydrophobicContact CE1-CB 3.6Å; Y173-P215 HydrophobicContact CE1-CG 4.36Å; Y173-P215 VanDerWaalsContact CE2-CA 3.44Å; Y173-P215 HydrophobicContact CE2-CB 3.82Å; Y173-P215 HydrophobicContact CE2-CG 4.03Å; Y173-P215 WeakPolarHBondContact OH-CG 3.36Å
174	E	86.9	Confident	96.4	Very high	62 Å²	62	23.6 Å²	23.6	29%	0.29	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.1	174.6	-59.2	79.6	-179.3	0	0	113.3	N172 T176 R222 W238	N172-E174 VanDerWaalsContact C-N 3.31Å; N172-E174 PolarHBondContact ND2-OE2 3.34Å; N172-E174 PolarHBondContact O-N 3.26Å; E174-T176 VanDerWaalsContact C-N 3.26Å; E174-T176 HydrophobicContact CB-CG2 4.12Å; E174-T176 PolarHBondContact O-N 3.16Å; E174-R222 IonicContact OE1-CZ 3.57Å; E174-R222 IonicContact OE1-NE 3.61Å; E174-R222 PolarHBondContact OE1-NE 2.89Å; E174-R222 IonicContact OE1-NH2 2.99Å; E174-W238 WeakPolarHBondContact OE2-CH2 3.31Å
175	N	93.2	Very high	96.4	Very high	40 Å²	40	27.5 Å²	27.5	21%	0.214	14%	0.139	C	C	.	.	S	Bend	trans	57	36.7	-178.8	-154.4	47.3	0	0	0	113.8	D130 R131 V171 N172 Y173	D130-N175 WeakPolarHBondContact CB-OD1 3.39Å; D130-N175 PolarHBondContact OD2-ND2 3.4Å; R131-N175 HydrophobicContact CB-CB 3.89Å; R131-N175 HydrophobicContact CG-CB 3.98Å; R131-N175 PolarHBondContact N-OD1 2.82Å; V171-N175 WeakPolarHBondContact CG1-OD1 3.5Å; N172-N175 PolarHBondContact O-N 3.38Å; N172-N175 VanDerWaalsContact O-N 3.12Å; N172-N175 PolarHBondContact OD1-N 3.12Å; Y173-N175 PolarHBondContact O-N 3.27Å
176	T	93.8	Very high	96.4	Very high	43 Å²	43	26 Å²	26	26%	0.264	13%	0.133	S	C	.	.	S	Bend	trans	-110.4	-20.8	-178.2	55.9	0	0	0	0	113.4	N172 E174 L192 L243	N172-T176 PolarHBondContact ND2-OG1 2.88Å; N172-T176 PolarHBondContact OD1-N 2.98Å; E174-T176 VanDerWaalsContact C-N 3.26Å; E174-T176 HydrophobicContact CB-CG2 4.12Å; E174-T176 PolarHBondContact O-N 3.16Å; T176-L192 PolarHBondContact O-N 3.47Å; T176-L243 WeakPolarHBondContact OG1-CD2 3.24Å
177	M	97	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.8	-174.3	-58.2	-172.8	-61	0	0	112.1	N172 V189 W190 L198 F213 W238 L243 I245	N172-M177 PolarHBondContact N-O 2.83Å; N172-M177 VanDerWaalsContact N-O 3.16Å; N172-M177 PolarHBondContact OD1-N 3.13Å; N172-M177 PolarHBondContact OD1-O 3.06Å; N172-M177 VanDerWaalsContact OD1-O 3.12Å; M177-V189 HydrophobicContact CB-CG1 4.07Å; M177-V189 HydrophobicContact SD-CG1 4.13Å; M177-W190 VanDerWaalsContact CA-O 3.27Å; M177-W190 WeakPolarHBondContact CA-O 3.37Å; M177-L198 HydrophobicContact CG-CD1 3.58Å; M177-L198 HydrophobicContact SD-CD1 3.46Å; M177-L198 WeakPolarHBondContact SD-CD1 3.43Å; M177-F213 HydrophobicContact CE-CE1 4.05Å; M177-F213 HydrophobicContact CE-CZ 4.32Å; M177-W238 HydrophobicContact CE-CD2 3.59Å; M177-W238 HydrophobicContact CE-CE3 3.32Å; M177-W238 HydrophobicContact CE-CG 4.38Å; M177-W238 HydrophobicContact CE-CH2 3.71Å; M177-W238 HydrophobicContact CE-CZ2 3.94Å; M177-W238 HydrophobicContact CE-CZ3 3.33Å; M177-L243 HydrophobicContact CG-CD2 4.24Å; M177-L243 HydrophobicContact SD-CB 4.07Å; M177-L243 HydrophobicContact SD-CD2 4.15Å; M177-I245 HydrophobicContact SD-CD1 4.45Å
178	I	98.4	Very high	96.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.5	166.5	-177.5	165.1	0	0	0	109.2	F137 V145 L159 M169 A170 V171 V189 W190 L192	F137-I178 HydrophobicContact CB-CD1 3.63Å; F137-I178 HydrophobicContact CD1-CD1 3.35Å; F137-I178 HydrophobicContact CD2-CD1 3.97Å; F137-I178 HydrophobicContact CE1-CD1 3.95Å; F137-I178 HydrophobicContact CE2-CD1 4.47Å; F137-I178 HydrophobicContact CG-CD1 3.36Å; F137-I178 HydrophobicContact CZ-CD1 4.48Å; V145-I178 HydrophobicContact CG1-CD1 4.39Å; L159-I178 HydrophobicContact CD1-CG2 3.97Å; M169-I178 HydrophobicContact SD-CD1 4.38Å; A170-I178 WeakPolarHBondContact O-CA 3.4Å; V171-I178 HydrophobicContact CG2-CD1 4.32Å; V171-I178 HydrophobicContact CG2-CG1 4.37Å; I178-V189 CarbonylContact O-C 3.54Å; I178-V189 VanDerWaalsContact O-CA 3.29Å; I178-V189 WeakPolarHBondContact O-CA 3.5Å; I178-V189 WeakPolarHBondContact O-CG1 3.35Å; I178-W190 HydrophobicContact CG2-CB 4.16Å; I178-W190 HydrophobicContact CG2-CE3 4.26Å; I178-W190 PolarHBondContact N-O 2.98Å; I178-W190 PolarHBondContact O-N 3.45Å; I178-L192 HydrophobicContact CB-CD2 3.83Å; I178-L192 HydrophobicContact CB-CG 4.41Å; I178-L192 HydrophobicContact CG2-CD2 3.62Å; I178-L192 HydrophobicContact CG2-CG 4.42Å
179	A	98.5	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.1	170.6	0	0	0	0	0	109.2	M169 A170 I187 R188 V189 F213 L224	M169-A179 CarbonylContact C-O 3.55Å; M169-A179 VanDerWaalsContact CA-O 3.27Å; M169-A179 WeakPolarHBondContact CA-O 3.44Å; A170-A179 PolarHBondContact N-O 3.23Å; A170-A179 PolarHBondContact O-N 3.43Å; A179-I187 HydrophobicContact CB-CG2 4.16Å; A179-R188 CarbonylContact C-O 3.54Å; A179-R188 WeakPolarHBondContact CA-O 3.29Å; A179-V189 HydrophobicContact CB-CG2 3.9Å; A179-F213 HydrophobicContact CB-CE2 3.82Å; A179-F213 HydrophobicContact CB-CZ 3.97Å; A179-L224 HydrophobicContact CB-CD1 4.21Å; A179-L224 HydrophobicContact CB-CD2 3.98Å
180	A	98.6	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136	171.3	0	0	0	0	0	110.1	V145 H162 I166 D168 M169 I187 R188 W190 L211	V145-A180 HydrophobicContact CG2-CB 3.73Å; H162-A180 PolarHBondContact CE1-O 2.76Å; H162-A180 PolarHBondContact NE2-O 3.32Å; I166-A180 HydrophobicContact CG2-CB 4.09Å; D168-A180 WeakPolarHBondContact O-CA 3.35Å; M169-A180 HydrophobicContact CG-CB 3.85Å; A180-I187 CarbonylContact O-C 3.59Å; A180-I187 VanDerWaalsContact O-CA 3.29Å; A180-I187 WeakPolarHBondContact O-CA 3.02Å; A180-I187 WeakPolarHBondContact O-CG2 3.21Å; A180-R188 PolarHBondContact N-O 2.99Å; A180-R188 PolarHBondContact O-N 3.23Å; A180-W190 HydrophobicContact CB-CH2 4.05Å; A180-W190 HydrophobicContact CB-CZ3 3.63Å; A180-L211 VanDerWaalsContact C-CD1 3.48Å
181	G	98.3	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.7	178.2	0	0	0	0	0	108.9	I166 S167 D168 L211	I166-G181 WeakPolarHBondContact CA-O 3.44Å; S167-G181 PolarHBondContact N-O 3.11Å; S167-G181 PolarHBondContact OG-O 2.85Å; D168-G181 PolarHBondContact O-N 3.44Å; G181-L211 VanDerWaalsContact CA-CD1 3.43Å
182	S	98.3	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	161.8	-172.9	169.6	0	0	0	0	111.9	H162 A164 E165 D184 K185 M186 I208	H162-S182 WeakPolarHBondContact ND1-CB 3.29Å; A164-S182 PolarHBondContact O-OG 3.31Å; E165-S182 WeakPolarHBondContact O-CA 3.35Å; E165-S182 WeakPolarHBondContact O-CB 3.4Å; E165-S182 PolarHBondContact O-OG 3.4Å; S182-D184 VanDerWaalsContact CB-OD1 3.23Å; S182-D184 WeakPolarHBondContact CB-OD1 3.49Å; S182-D184 PolarHBondContact O-N 2.97Å; S182-D184 PolarHBondContact OG-N 3.34Å; S182-D184 PolarHBondContact OG-OD1 3.25Å; S182-K185 PolarHBondContact O-N 2.9Å; S182-K185 VanDerWaalsContact O-N 3.13Å; S182-M186 PolarHBondContact N-O 2.97Å; S182-I208 PolarHBondContact O-N 2.81Å
183	C	98	Very high	96.4	Very high	37 Å²	37	35.4 Å²	35.4	25%	0.25	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.2	167.9	-69	0	0	0	0	113.2	A164 E165 K185	A164-C183 HydrophobicContact CB-CB 4.05Å; E165-C183 HydrophobicContact CG-CB 3.85Å; E165-C183 VanDerWaalsContact CG-SG 3.54Å; E165-C183 PolarHBondContact O-N 3.13Å; E165-C183 VanDerWaalsContact O-N 3.11Å; E165-C183 WeakPolarHBondContact OE1-CB 3.35Å; E165-C183 PolarHBondContact OE1-SG 2.78Å; C183-K185 PolarHBondContact O-N 3.15Å; C183-K185 VanDerWaalsContact O-N 3.14Å
184	D	97.9	Very high	96.7	Very high	29 Å²	29	35 Å²	35	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	1	169.7	79	-2.2	0	0	0	113.3	H162 A163 A164 S182 M186 R188	H162-D184 WeakPolarHBondContact CA-OD2 3.28Å; H162-D184 IonicContact CG-OD2 3.14Å; H162-D184 IonicContact ND1-OD1 3.93Å; H162-D184 PolarHBondContact ND1-OD1 3.43Å; H162-D184 IonicContact ND1-OD2 3.48Å; H162-D184 PolarHBondContact ND1-OD2 2.67Å; A163-D184 HydrophobicContact CB-CB 4.19Å; A163-D184 PolarHBondContact N-OD2 3.4Å; A164-D184 HydrophobicContact CB-CB 3.9Å; S182-D184 VanDerWaalsContact CB-OD1 3.23Å; S182-D184 WeakPolarHBondContact CB-OD1 3.49Å; S182-D184 PolarHBondContact O-N 2.97Å; S182-D184 PolarHBondContact OG-N 3.34Å; S182-D184 PolarHBondContact OG-OD1 3.25Å; D184-M186 PolarHBondContact O-N 3.08Å; D184-M186 WeakPolarHBondContact OD1-CA 3.26Å; D184-M186 VanDerWaalsContact OD1-CB 3.27Å; D184-M186 WeakPolarHBondContact OD1-CB 3.27Å; D184-M186 PolarHBondContact OD1-N 2.86Å; D184-R188 IonicContact OD1-NH1 3.93Å; D184-R188 IonicContact OD2-CZ 3.54Å; D184-R188 IonicContact OD2-NH1 2.93Å; D184-R188 PolarHBondContact OD2-NH1 2.81Å; D184-R188 IonicContact OD2-NH2 2.98Å
185	K	97.9	Very high	97.2	Very high	99 Å²	99	34.1 Å²	34.1	43%	0.43	17%	0.168	S	C	.	.	S	Bend	trans	72.5	5	176.8	-40.4	171.3	179.6	-167.2	0	113.9	S182 C183 S205 A206	S182-K185 PolarHBondContact O-N 2.9Å; S182-K185 VanDerWaalsContact O-N 3.13Å; C183-K185 PolarHBondContact O-N 3.15Å; C183-K185 VanDerWaalsContact O-N 3.14Å; K185-S205 WeakPolarHBondContact CD-O 3.26Å; K185-S205 WeakPolarHBondContact CE-O 3.35Å; K185-S205 PolarHBondContact NZ-O 2.58Å; K185-A206 WeakPolarHBondContact CB-O 3.41Å
186	M	98.1	Very high	97.4	Very high	34 Å²	34	34.1 Å²	34.1	17%	0.167	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.7	-177.8	-52.8	-63.2	-69.1	0	0	110.3	H162 S182 D184 V200 Q202 I208	H162-M186 PolarHBondContact CE1-O 3.45Å; H162-M186 VanDerWaalsContact CE1-O 3.32Å; S182-M186 PolarHBondContact N-O 2.97Å; D184-M186 PolarHBondContact O-N 3.08Å; D184-M186 WeakPolarHBondContact OD1-CA 3.26Å; D184-M186 VanDerWaalsContact OD1-CB 3.27Å; D184-M186 WeakPolarHBondContact OD1-CB 3.27Å; D184-M186 PolarHBondContact OD1-N 2.86Å; M186-V200 HydrophobicContact CE-CG1 3.44Å; M186-V200 VanDerWaalsContact CE-CG1 3.44Å; M186-Q202 HydrophobicContact CE-CB 3.68Å; M186-Q202 HydrophobicContact CE-CG 4.1Å; M186-Q202 HydrophobicContact SD-CB 3.9Å; M186-Q202 HydrophobicContact SD-CG 3.71Å; M186-I208 WeakPolarHBondContact O-CD1 3.36Å
187	I	98.7	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131	167.4	-52.2	157.9	0	0	0	106.9	A179 A180 V189 V200 L201 I208 L211 L224 S226 W236	A179-I187 HydrophobicContact CB-CG2 4.16Å; A180-I187 CarbonylContact O-C 3.59Å; A180-I187 VanDerWaalsContact O-CA 3.29Å; A180-I187 WeakPolarHBondContact O-CA 3.02Å; A180-I187 WeakPolarHBondContact O-CG2 3.21Å; I187-V189 HydrophobicContact CG2-CG2 4.4Å; I187-V200 CarbonylContact O-C 3.59Å; I187-V200 WeakPolarHBondContact O-CA 3.44Å; I187-L201 HydrophobicContact CB-CB 4.07Å; I187-L201 HydrophobicContact CB-CD1 4.24Å; I187-L201 HydrophobicContact CB-CG 4.44Å; I187-L201 HydrophobicContact CG2-CD1 4.18Å; I187-L201 PolarHBondContact N-O 2.86Å; I187-L201 PolarHBondContact O-N 3Å; I187-I208 HydrophobicContact CB-CD1 4.42Å; I187-I208 HydrophobicContact CD1-CD1 4.41Å; I187-I208 HydrophobicContact CG1-CD1 3.4Å; I187-I208 HydrophobicContact CG1-CG1 4.16Å; I187-L211 HydrophobicContact CD1-CD2 3.79Å; I187-L211 HydrophobicContact CG1-CD2 4.07Å; I187-L211 HydrophobicContact CG2-CD1 4.06Å; I187-L211 HydrophobicContact CG2-CD2 4.09Å; I187-L224 HydrophobicContact CG2-CD2 4.38Å; I187-S226 VanDerWaalsContact CD1-CB 3.49Å; I187-S226 WeakPolarHBondContact CD1-OG 3.46Å; I187-W236 HydrophobicContact CD1-CZ2 3.95Å
188	R	98.6	Very high	97.6	Very high	39 Å²	39	40 Å²	40	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.7	171.9	-70.4	175.9	178.9	71.6	-2.3	109.4	G161 H162 A179 A180 D184 W190 V200	G161-R188 VanDerWaalsContact C-CZ 3.49Å; G161-R188 VanDerWaalsContact C-NE 3.28Å; G161-R188 PolarHBondContact O-NE 3.42Å; G161-R188 PolarHBondContact O-NH2 2.87Å; H162-R188 PolarHBondContact CE1-NH1 3.05Å; H162-R188 PolarHBondContact ND1-NH1 3.06Å; A179-R188 CarbonylContact C-O 3.54Å; A179-R188 WeakPolarHBondContact CA-O 3.29Å; A180-R188 PolarHBondContact N-O 2.99Å; A180-R188 PolarHBondContact O-N 3.23Å; D184-R188 IonicContact OD1-NH1 3.93Å; D184-R188 IonicContact OD2-CZ 3.54Å; D184-R188 IonicContact OD2-NH1 2.93Å; D184-R188 PolarHBondContact OD2-NH1 2.81Å; D184-R188 IonicContact OD2-NH2 2.98Å; R188-W190 HydrophobicContact CB-CE3 4.32Å; R188-W190 HydrophobicContact CB-CH2 3.25Å; R188-W190 HydrophobicContact CB-CZ2 3.51Å; R188-W190 HydrophobicContact CB-CZ3 3.68Å; R188-W190 HydrophobicContact CG-CH2 4.36Å; R188-W190 HydrophobicContact CG-CZ2 4.38Å; R188-W190 WeakPolarHBondContact O-CZ3 3.38Å; R188-V200 HydrophobicContact CG-CG1 4.19Å; R188-V200 HydrophobicContact CG-CG2 4.26Å
189	V	98.6	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.7	-179.9	-171.4	0	0	0	0	109.4	M177 I178 A179 I187 L198 A199 L201 I245	M177-V189 HydrophobicContact CB-CG1 4.07Å; M177-V189 HydrophobicContact SD-CG1 4.13Å; I178-V189 CarbonylContact O-C 3.54Å; I178-V189 VanDerWaalsContact O-CA 3.29Å; I178-V189 WeakPolarHBondContact O-CA 3.5Å; I178-V189 WeakPolarHBondContact O-CG1 3.35Å; A179-V189 HydrophobicContact CB-CG2 3.9Å; I187-V189 HydrophobicContact CG2-CG2 4.4Å; V189-L198 PolarHBondContact O-N 2.93Å; V189-A199 HydrophobicContact CB-CB 4.44Å; V189-A199 PolarHBondContact N-O 2.79Å; V189-A199 PolarHBondContact O-N 2.87Å; V189-L201 HydrophobicContact CG2-CD1 4.11Å; V189-I245 HydrophobicContact CB-CD1 3.69Å; V189-I245 HydrophobicContact CG1-CD1 3.66Å; V189-I245 HydrophobicContact CG2-CD1 3.63Å
190	W	98.6	Very high	97.6	Very high	11 Å²	11	44.5 Å²	44.5	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151	178.7	-58.9	-99.1	0	0	0	111.3	L159 H162 M177 I178 A180 R188 A196	L159-W190 HydrophobicContact CB-CD2 4.21Å; L159-W190 HydrophobicContact CB-CZ2 4.06Å; L159-W190 HydrophobicContact CD1-CB 4.11Å; L159-W190 HydrophobicContact CD1-CD2 3.77Å; L159-W190 HydrophobicContact CD1-CE3 3.93Å; L159-W190 HydrophobicContact CD1-CG 3.87Å; L159-W190 HydrophobicContact CD2-CG 4.26Å; L159-W190 HydrophobicContact CG-CD2 4.46Å; L159-W190 HydrophobicContact CG-CG 4.45Å; H162-W190 AromaticContact CD2-CH2 3.77Å; H162-W190 AromaticContact NE2-CH2 3.56Å; M177-W190 VanDerWaalsContact CA-O 3.27Å; M177-W190 WeakPolarHBondContact CA-O 3.37Å; I178-W190 HydrophobicContact CG2-CB 4.16Å; I178-W190 HydrophobicContact CG2-CE3 4.26Å; I178-W190 PolarHBondContact N-O 2.98Å; I178-W190 PolarHBondContact O-N 3.45Å; A180-W190 HydrophobicContact CB-CH2 4.05Å; A180-W190 HydrophobicContact CB-CZ3 3.63Å; R188-W190 HydrophobicContact CB-CE3 4.32Å; R188-W190 HydrophobicContact CB-CH2 3.25Å; R188-W190 HydrophobicContact CB-CZ2 3.51Å; R188-W190 HydrophobicContact CB-CZ3 3.68Å; R188-W190 HydrophobicContact CG-CH2 4.36Å; R188-W190 HydrophobicContact CG-CZ2 4.38Å; R188-W190 WeakPolarHBondContact O-CZ3 3.38Å; W190-A196 VanDerWaalsContact CA-O 3.32Å; W190-A196 WeakPolarHBondContact CA-O 3.48Å
191	C	97.3	Very high	97.5	Very high	14 Å²	14	44.5 Å²	44.5	10%	0.095	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.6	169.7	179.6	0	0	0	0	109.8	R193 T194 C195 A196 L198	C191-R193 PolarHBondContact O-N 2.66Å; C191-T194 WeakPolarHBondContact CB-OG1 3.34Å; C191-C195 WeakPolarHBondContact O-CA 3.23Å; C191-C195 PolarHBondContact O-N 3.4Å; C191-A196 PolarHBondContact N-O 3.08Å; C191-L198 HydrophobicContact CB-CD1 3.89Å; C191-L198 HydrophobicContact CB-CD2 4.1Å; C191-L198 HydrophobicContact CB-CG 3.98Å
192	L	94.8	Very high	97.5	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.5	178.8	-74	-178.8	0	0	0	113.5	R135 F137 V171 T176 I178	R135-L192 PolarHBondContact NH1-O 3.35Å; F137-L192 HydrophobicContact CE1-CD2 3.37Å; F137-L192 HydrophobicContact CE2-CD2 4.42Å; F137-L192 HydrophobicContact CZ-CD1 4.17Å; F137-L192 HydrophobicContact CZ-CD2 3.31Å; F137-L192 HydrophobicContact CZ-CG 4.38Å; V171-L192 HydrophobicContact CG1-CD1 3.91Å; T176-L192 PolarHBondContact O-N 3.47Å; I178-L192 HydrophobicContact CB-CD2 3.83Å; I178-L192 HydrophobicContact CB-CG 4.41Å; I178-L192 HydrophobicContact CG2-CD2 3.62Å; I178-L192 HydrophobicContact CG2-CG 4.42Å
193	R	93.6	Very high	97.3	Very high	226 Å²	226	52.2 Å²	52.2	85%	0.853	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-47.7	178.1	-173.2	177.6	-65.1	178.7	0.6	111.9	C191	C191-R193 PolarHBondContact O-N 2.66Å
194	T	96.3	Very high	97.2	Very high	93 Å²	93	50.9 Å²	50.9	57%	0.571	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-10.5	-171	59.1	0	0	0	0	113.7	C191 A196	C191-T194 WeakPolarHBondContact CB-OG1 3.34Å; T194-A196 PolarHBondContact O-N 2.85Å; T194-A196 VanDerWaalsContact O-N 3.11Å; T194-A196 WeakPolarHBondContact OG1-CB 3.27Å; T194-A196 PolarHBondContact OG1-N 2.9Å
195	C	97.3	Very high	97.1	Very high	43 Å²	43	53.2 Å²	53.2	29%	0.291	29%	0.287	S	S	.	.			trans	57.9	12.8	-168.5	-57.6	0	0	0	0	114.1	L159 C191	L159-C195 HydrophobicContact CD2-CB 3.76Å; C191-C195 WeakPolarHBondContact O-CA 3.23Å; C191-C195 PolarHBondContact O-N 3.4Å
196	A	97.1	Very high	97	Very high	40 Å²	40	49.7 Å²	49.7	33%	0.331	28%	0.276	S	S	.	.			trans	-73.1	143.3	177.4	0	0	0	0	0	110.7	W190 C191 T194 L198	W190-A196 VanDerWaalsContact CA-O 3.32Å; W190-A196 WeakPolarHBondContact CA-O 3.48Å; C191-A196 PolarHBondContact N-O 3.08Å; T194-A196 PolarHBondContact O-N 2.85Å; T194-A196 VanDerWaalsContact O-N 3.11Å; T194-A196 WeakPolarHBondContact OG1-CB 3.27Å; T194-A196 PolarHBondContact OG1-N 2.9Å; A196-L198 PolarHBondContact O-N 2.71Å
197	P	97.4	Very high	96.9	Very high	98 Å²	98	49.7 Å²	49.7	64%	0.636	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.3	172.2	28.8	-33.6	0	0	0	109.8
198	L	97.6	Very high	96.8	Very high	69 Å²	69	49.7 Å²	49.7	36%	0.361	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-38.7	177	-68.4	177	0	0	0	111.9	M177 V189 C191 A196 L243	M177-L198 HydrophobicContact CG-CD1 3.58Å; M177-L198 HydrophobicContact SD-CD1 3.46Å; M177-L198 WeakPolarHBondContact SD-CD1 3.43Å; V189-L198 PolarHBondContact O-N 2.93Å; C191-L198 HydrophobicContact CB-CD1 3.89Å; C191-L198 HydrophobicContact CB-CD2 4.1Å; C191-L198 HydrophobicContact CB-CG 3.98Å; A196-L198 PolarHBondContact O-N 2.71Å; L198-L243 HydrophobicContact CD1-CB 4.33Å
199	A	97.7	Very high	96.7	Very high	19 Å²	19	49.8 Å²	49.8	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.9	-179.3	0	0	0	0	0	112	V189 L201 I245	V189-A199 HydrophobicContact CB-CB 4.44Å; V189-A199 PolarHBondContact N-O 2.79Å; V189-A199 PolarHBondContact O-N 2.87Å; A199-L201 HydrophobicContact CB-CD2 3.79Å; A199-L201 HydrophobicContact CB-CG 4.37Å; A199-I245 HydrophobicContact CB-CB 4.15Å; A199-I245 HydrophobicContact CB-CD1 3.82Å
200	V	98	Very high	96.6	Very high	76 Å²	76	50.2 Å²	50.2	46%	0.461	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.1	165.1	-173.3	0	0	0	0	106.3	M186 I187 R188	M186-V200 HydrophobicContact CE-CG1 3.44Å; M186-V200 VanDerWaalsContact CE-CG1 3.44Å; I187-V200 CarbonylContact O-C 3.59Å; I187-V200 WeakPolarHBondContact O-CA 3.44Å; R188-V200 HydrophobicContact CG-CG1 4.19Å; R188-V200 HydrophobicContact CG-CG2 4.26Å
201	L	98.3	Very high	96.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125	-170.4	-46.3	174.3	0	0	0	109.5	I187 V189 A199 L224 W236 I245	I187-L201 HydrophobicContact CB-CB 4.07Å; I187-L201 HydrophobicContact CB-CD1 4.24Å; I187-L201 HydrophobicContact CB-CG 4.44Å; I187-L201 HydrophobicContact CG2-CD1 4.18Å; I187-L201 PolarHBondContact N-O 2.86Å; I187-L201 PolarHBondContact O-N 3Å; V189-L201 HydrophobicContact CG2-CD1 4.11Å; A199-L201 HydrophobicContact CB-CD2 3.79Å; A199-L201 HydrophobicContact CB-CG 4.37Å; L201-L224 HydrophobicContact CD1-CD2 4.02Å; L201-W236 HydrophobicContact CB-CD2 4.17Å; L201-W236 HydrophobicContact CB-CE3 3.85Å; L201-W236 HydrophobicContact CB-CH2 3.66Å; L201-W236 HydrophobicContact CB-CZ2 4Å; L201-W236 HydrophobicContact CB-CZ3 3.57Å; L201-W236 HydrophobicContact CD1-CB 4.37Å; L201-W236 HydrophobicContact CD1-CD2 3.77Å; L201-W236 HydrophobicContact CD1-CE3 3.94Å; L201-W236 HydrophobicContact CD1-CG 3.95Å; L201-W236 HydrophobicContact CD2-CE3 3.96Å; L201-W236 HydrophobicContact CD2-CZ3 4.19Å; L201-W236 HydrophobicContact CG-CD2 4.41Å; L201-W236 HydrophobicContact CG-CE3 4.14Å; L201-W236 HydrophobicContact CG-CZ3 4.31Å; L201-I245 HydrophobicContact CD1-CG2 4.11Å; L201-I245 HydrophobicContact CD2-CB 4.41Å; L201-I245 HydrophobicContact CD2-CG2 3.65Å
202	Q	96.7	Very high	96.5	Very high	144 Å²	144	51.7 Å²	51.7	67%	0.673	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.7	179	-169.4	174.8	6.1	0	0	109.2	M186	M186-Q202 HydrophobicContact CE-CB 3.68Å; M186-Q202 HydrophobicContact CE-CG 4.1Å; M186-Q202 HydrophobicContact SD-CB 3.9Å; M186-Q202 HydrophobicContact SD-CG 3.71Å
203	G	94.1	Very high	96.6	Very high	17 Å²	17	51.8 Å²	51.8	18%	0.175	29%	0.293	C	S	.	.			trans	-151.8	-23.8	-177.7	0	0	0	0	0	113.5	K251	G203-K251 PolarHBondContact O-NZ 3.13Å
204	H	96.4	Very high	96.5	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.046	25%	0.254	C	S	.	.			trans	-94.2	146.4	176.6	-67.2	-75.3	0	0	0	111.7	A206 S226 G228 D230 T232	H204-A206 WeakPolarHBondContact CB-O 3.17Å; H204-S226 WeakPolarHBondContact NE2-CB 3.4Å; H204-S226 PolarHBondContact NE2-OG 2.99Å; H204-G228 PolarHBondContact CE1-N 3.19Å; H204-D230 WeakPolarHBondContact CA-OD2 3.25Å; H204-D230 IonicContact CG-OD2 3.07Å; H204-D230 IonicContact ND1-OD1 3.19Å; H204-D230 PolarHBondContact ND1-OD1 2.96Å; H204-D230 VanDerWaalsContact ND1-OD1 3.14Å; H204-D230 IonicContact ND1-OD2 2.8Å; H204-D230 PolarHBondContact ND1-OD2 2.81Å; H204-T232 PolarHBondContact CE1-O 3.38Å; H204-T232 PolarHBondContact CE1-OG1 2.81Å; H204-T232 PolarHBondContact ND1-OG1 3.47Å
205	S	95.3	Very high	96.2	Very high	78 Å²	78	37.5 Å²	37.5	55%	0.545	23%	0.232	S	C	.	.	S	Bend	trans	-97.7	-5.4	173.6	58.1	0	0	0	0	113.3	K185 D230	K185-S205 WeakPolarHBondContact CD-O 3.26Å; K185-S205 WeakPolarHBondContact CE-O 3.35Å; K185-S205 PolarHBondContact NZ-O 2.58Å; S205-D230 PolarHBondContact N-OD2 2.94Å; S205-D230 WeakPolarHBondContact OG-CB 3.45Å; S205-D230 PolarHBondContact OG-OD2 2.9Å
206	A	95.9	Very high	95.5	Very high	24 Å²	24	36.8 Å²	36.8	20%	0.198	23%	0.225	C	C	.	.	S	Bend	trans	-136.6	-177	174.8	0	0	0	0	0	111.1	K185 H204 A229 D230	K185-A206 WeakPolarHBondContact CB-O 3.41Å; H204-A206 WeakPolarHBondContact CB-O 3.17Å; A206-A229 HydrophobicContact CB-CB 4.03Å; A206-D230 HydrophobicContact CB-CB 3.8Å
207	S	96.3	Very high	94.7	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	24%	0.236	C	C	.	.			trans	-56.9	144	-177.1	53.5	0	0	0	0	112.1	G228 A229	S207-G228 CarbonylContact O-C 3.5Å; S207-G228 WeakPolarHBondContact O-CA 3.35Å; S207-A229 PolarHBondContact O-N 3.23Å; S207-A229 WeakPolarHBondContact OG-CB 3.19Å
208	I	97.9	Very high	93.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.1	172.8	-65.2	144.9	0	0	0	108.1	S167 S182 M186 I187 L211	S167-I208 WeakPolarHBondContact CB-O 3.46Å; S167-I208 PolarHBondContact OG-O 3.13Å; S182-I208 PolarHBondContact O-N 2.81Å; M186-I208 WeakPolarHBondContact O-CD1 3.36Å; I187-I208 HydrophobicContact CB-CD1 4.42Å; I187-I208 HydrophobicContact CD1-CD1 4.41Å; I187-I208 HydrophobicContact CG1-CD1 3.4Å; I187-I208 HydrophobicContact CG1-CG1 4.16Å; I208-L211 HydrophobicContact CG2-CD1 4.45Å; I208-L211 HydrophobicContact CG2-CD2 4.45Å; I208-L211 HydrophobicContact CG2-CG 4.03Å
209	T	96.3	Very high	93	Very high	40 Å²	40	38 Å²	38	25%	0.245	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-29.4	-175.8	54.2	0	0	0	0	113.2	T227 A229 M262	T209-T227 PolarHBondContact N-O 2.92Å; T209-T227 PolarHBondContact OG1-O 2.89Å; T209-T227 VanDerWaalsContact OG1-O 3.13Å; T209-T227 PolarHBondContact OG1-OG1 2.76Å; T209-A229 HydrophobicContact CG2-CB 4.12Å; T209-M262 VanDerWaalsContact CB-O 3.31Å; T209-M262 WeakPolarHBondContact CB-O 3.49Å; T209-M262 WeakPolarHBondContact CG2-O 3.31Å; T209-M262 PolarHBondContact OG1-O 2.82Å
210	S	96	Very high	92.5	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147.7	176	-173.4	0	0	0	0	111.9	D168 S226 T227 S265	D168-S210 WeakPolarHBondContact OD2-CA 3.42Å; D168-S210 PolarHBondContact OD2-OG 3.35Å; S210-S226 VanDerWaalsContact O-CA 3.32Å; S210-S226 WeakPolarHBondContact O-CA 3.39Å; S210-T227 WeakPolarHBondContact CB-OG1 3.29Å; S210-T227 PolarHBondContact N-OG1 2.82Å; S210-T227 VanDerWaalsContact N-OG1 3.12Å; S210-T227 PolarHBondContact O-N 3.12Å; S210-S265 PolarHBondContact OG-OG 2.93Å
211	L	97.4	Very high	92.2	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.1	174.3	-78.9	172.1	0	0	0	111.5	D168 A170 A180 G181 I187 I208 L224 S225 S226	D168-L211 HydrophobicContact CB-CB 4.46Å; D168-L211 PolarHBondContact OD2-N 2.59Å; A170-L211 HydrophobicContact CB-CB 4.26Å; A180-L211 VanDerWaalsContact C-CD1 3.48Å; G181-L211 VanDerWaalsContact CA-CD1 3.43Å; I187-L211 HydrophobicContact CD1-CD2 3.79Å; I187-L211 HydrophobicContact CG1-CD2 4.07Å; I187-L211 HydrophobicContact CG2-CD1 4.06Å; I187-L211 HydrophobicContact CG2-CD2 4.09Å; I208-L211 HydrophobicContact CG2-CD1 4.45Å; I208-L211 HydrophobicContact CG2-CD2 4.45Å; I208-L211 HydrophobicContact CG2-CG 4.03Å; L211-L224 HydrophobicContact CD2-CD1 4.16Å; L211-L224 HydrophobicContact CD2-CD2 4.49Å; L211-L224 HydrophobicContact CD2-CG 4.43Å; L211-S225 WeakPolarHBondContact CA-O 3.19Å; L211-S226 VanDerWaalsContact CD2-CB 3.48Å
212	Q	96.7	Very high	91.9	Very high	54 Å²	54	43.7 Å²	43.7	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.5	171.6	-68.6	-171.9	1.5	0	0	112.4	S225 S265 S266 F267	Q212-S225 PolarHBondContact N-O 3.16Å; Q212-S225 PolarHBondContact O-N 2.83Å; Q212-S225 PolarHBondContact O-OG 2.88Å; Q212-S265 PolarHBondContact NE2-O 2.78Å; Q212-S266 VanDerWaalsContact OE1-CA 3.3Å; Q212-F267 HydrophobicContact CB-CD2 3.75Å; Q212-F267 HydrophobicContact CB-CE2 3.82Å
213	F	95.3	Very high	91.8	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.8	163.5	-78	-79.8	0	0	0	109.8	A170 V171 N172 Y173 M177 A179 L224 W238	A170-F213 HydrophobicContact CB-CD2 3.77Å; A170-F213 HydrophobicContact CB-CE2 4.23Å; A170-F213 WeakPolarHBondContact O-CE2 3.45Å; V171-F213 VanDerWaalsContact C-CD2 3.43Å; N172-F213 VanDerWaalsContact CA-CD2 3.47Å; N172-F213 HydrophobicContact CB-CB 4.22Å; N172-F213 HydrophobicContact CB-CD1 3.63Å; N172-F213 HydrophobicContact CB-CD2 3.76Å; N172-F213 HydrophobicContact CB-CE1 3.83Å; N172-F213 HydrophobicContact CB-CE2 3.94Å; N172-F213 HydrophobicContact CB-CG 3.59Å; N172-F213 HydrophobicContact CB-CZ 3.98Å; N172-F213 VanDerWaalsContact N-CD2 3.31Å; Y173-F213 HydrophobicContact CD2-CB 4.38Å; Y173-F213 WeakPolarHBondContact CE2-O 3.2Å; M177-F213 HydrophobicContact CE-CE1 4.05Å; M177-F213 HydrophobicContact CE-CZ 4.32Å; A179-F213 HydrophobicContact CB-CE2 3.82Å; A179-F213 HydrophobicContact CB-CZ 3.97Å; F213-L224 HydrophobicContact CD1-CB 4.03Å; F213-L224 HydrophobicContact CD1-CD1 4.1Å; F213-L224 HydrophobicContact CD2-CD1 4.06Å; F213-L224 HydrophobicContact CE1-CB 3.96Å; F213-L224 HydrophobicContact CE1-CD1 4.1Å; F213-L224 HydrophobicContact CE1-CG 4.44Å; F213-L224 HydrophobicContact CE2-CD1 4.06Å; F213-L224 HydrophobicContact CG-CD1 4.09Å; F213-L224 HydrophobicContact CZ-CD1 4.08Å; F213-L224 HydrophobicContact CZ-CD2 4.49Å; F213-W238 HydrophobicContact CD1-CZ2 4.26Å; F213-W238 AromaticContact CD1-NE1 3.64Å; F213-W238 HydrophobicContact CE1-CZ2 4.39Å; F213-W238 AromaticContact CE1-NE1 3.72Å
214	S	92	Very high	92	Very high	5 Å²	5	37 Å²	37	4%	0.035	23%	0.234	C	C	.	.			trans	-69.2	134.3	175.3	-178.1	0	0	0	0	110.6	Y173 L216 Y223	Y173-S214 WeakPolarHBondContact CD2-O 3.41Å; S214-L216 PolarHBondContact O-N 2.87Å; S214-L216 VanDerWaalsContact OG-CB 3.3Å; S214-L216 WeakPolarHBondContact OG-CB 3.22Å; S214-L216 PolarHBondContact OG-N 2.82Å; S214-L216 VanDerWaalsContact OG-N 3.13Å; S214-Y223 WeakPolarHBondContact CB-O 3.27Å; S214-Y223 PolarHBondContact N-O 3.21Å
215	P	89.6	Confident	92.1	Very high	14 Å²	14	36.6 Å²	36.6	9%	0.091	23%	0.231	C	C	.	.			trans	-67.9	-11.3	168.1	1.7	4.3	0	0	0	113.7	Y173 C217 F267 S268	Y173-P215 HydrophobicContact CD1-CB 4.27Å; Y173-P215 HydrophobicContact CD2-CB 4.42Å; Y173-P215 HydrophobicContact CE1-CB 3.6Å; Y173-P215 HydrophobicContact CE1-CG 4.36Å; Y173-P215 VanDerWaalsContact CE2-CA 3.44Å; Y173-P215 HydrophobicContact CE2-CB 3.82Å; Y173-P215 HydrophobicContact CE2-CG 4.03Å; Y173-P215 WeakPolarHBondContact OH-CG 3.36Å; P215-C217 PolarHBondContact O-N 3.17Å; P215-C217 VanDerWaalsContact O-N 3.1Å; P215-F267 HydrophobicContact CG-CB 3.89Å; P215-F267 HydrophobicContact CG-CG 4.4Å; P215-S268 WeakPolarHBondContact CG-O 3.36Å
216	L	84	Confident	92.2	Very high	28 Å²	28	32.9 Å²	32.9	15%	0.147	21%	0.205	C	C	.	.			trans	-68.8	111.4	-172.2	-175.4	65.6	0	0	0	110.5	S214 R222 G270 M272 F288	S214-L216 PolarHBondContact O-N 2.87Å; S214-L216 VanDerWaalsContact OG-CB 3.3Å; S214-L216 WeakPolarHBondContact OG-CB 3.22Å; S214-L216 PolarHBondContact OG-N 2.82Å; S214-L216 VanDerWaalsContact OG-N 3.13Å; L216-R222 VanDerWaalsContact O-CD 3.32Å; L216-R222 WeakPolarHBondContact O-CD 3.42Å; L216-G270 WeakPolarHBondContact CD1-O 3.43Å; L216-M272 HydrophobicContact CD1-SD 3.76Å; L216-F288 HydrophobicContact CD2-CB 3.65Å
217	C	79.8	Confident	92.2	Very high	83 Å²	83	31.7 Å²	31.7	56%	0.561	20%	0.196	S	C	*	.			trans	-102.1	85.2	174.6	-65.8	0	0	0	0	109.9	P215	P215-C217 PolarHBondContact O-N 3.17Å; P215-C217 VanDerWaalsContact O-N 3.1Å
218	S	76.5	Confident	92.2	Very high	84 Å²	84	30 Å²	30	59%	0.587	18%	0.184	S	C	*	.	S	Bend	trans	-120.9	109.3	172.2	-171.7	0	0	0	0	110
219	G	83.4	Confident	92	Very high	66 Å²	66	30.8 Å²	30.8	68%	0.68	19%	0.191	S	C	*	.	S	Bend	trans	64.1	-146	-174.4	0	0	0	0	0	113.2	R222	G219-R222 PolarHBondContact O-NH1 2.98Å; G219-R222 PolarHBondContact O-NH2 3.01Å
220	S	87.6	Confident	91.9	Very high	56 Å²	56	30.4 Å²	30.4	39%	0.392	19%	0.187	S	C	.	.	S	Bend	trans	-89.3	-18.2	174.5	70.6	0	0	0	0	113.5	D239 A240	S220-D239 WeakPolarHBondContact CB-OD2 3.43Å; S220-D239 PolarHBondContact OG-OD2 2.92Å; S220-A240 WeakPolarHBondContact O-CB 3.25Å; S220-A240 PolarHBondContact O-N 2.81Å
221	K	90.2	Very high	91.7	Very high	133 Å²	133	30.2 Å²	30.2	58%	0.578	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.9	-177.2	-71.8	-177.9	-176.7	178.3	0	110.9	L237	K221-L237 HydrophobicContact CB-CD1 3.92Å; K221-L237 HydrophobicContact CD-CD1 4.26Å; K221-L237 HydrophobicContact CG-CD1 4.14Å
222	R	93	Very high	91.6	Very high	26 Å²	26	30.2 Å²	30.2	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.8	-178.7	-64.3	-68.5	-178.4	-82	-8.3	109.8	E174 L216 G219 W238 A240	E174-R222 IonicContact OE1-CZ 3.57Å; E174-R222 IonicContact OE1-NE 3.61Å; E174-R222 PolarHBondContact OE1-NE 2.89Å; E174-R222 IonicContact OE1-NH2 2.99Å; L216-R222 VanDerWaalsContact O-CD 3.32Å; L216-R222 WeakPolarHBondContact O-CD 3.42Å; G219-R222 PolarHBondContact O-NH1 2.98Å; G219-R222 PolarHBondContact O-NH2 3.01Å; R222-W238 HydrophobicContact CB-CD2 3.68Å; R222-W238 HydrophobicContact CB-CE3 4.4Å; R222-W238 HydrophobicContact CB-CG 4.06Å; R222-W238 HydrophobicContact CB-CH2 4.12Å; R222-W238 HydrophobicContact CB-CZ2 3.34Å; R222-W238 HydrophobicContact CG-CD2 4.37Å; R222-W238 HydrophobicContact CG-CH2 3.88Å; R222-W238 HydrophobicContact CG-CZ2 3.51Å; R222-W238 HydrophobicContact CG-CZ3 4.49Å; R222-W238 PolarHBondContact N-O 2.97Å; R222-W238 PolarHBondContact O-N 3.29Å; R222-A240 HydrophobicContact CG-CB 4.14Å
223	Y	95.3	Very high	91.5	Very high	20 Å²	20	27.7 Å²	27.7	8%	0.078	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.4	179.1	-72	-82.9	0	0	0	112	S214 F235 W236 L237 F288 G291 P293	S214-Y223 WeakPolarHBondContact CB-O 3.27Å; S214-Y223 PolarHBondContact N-O 3.21Å; Y223-F235 HydrophobicContact CD1-CB 4.12Å; Y223-W236 WeakPolarHBondContact CA-O 3.48Å; Y223-L237 HydrophobicContact CD1-CD1 4.48Å; Y223-L237 HydrophobicContact CE1-CB 4.11Å; Y223-L237 HydrophobicContact CE1-CD1 3.93Å; Y223-L237 HydrophobicContact CE2-CD1 4.18Å; Y223-F288 AromaticContact CD2-CD1 3.91Å; Y223-F288 HydrophobicContact CD2-CD1 3.91Å; Y223-F288 HydrophobicContact CD2-CE1 4.14Å; Y223-F288 HydrophobicContact CE2-CD1 4.27Å; Y223-F288 HydrophobicContact CG-CD1 4.27Å; Y223-F288 HydrophobicContact CG-CE1 4.02Å; Y223-G291 PolarHBondContact OH-O 2.75Å; Y223-P293 HydrophobicContact CE1-CG 4.3Å
224	L	97.4	Very high	91.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.7	159.4	168.1	71.6	0	0	0	106.6	A179 I187 L201 L211 F213 W236	A179-L224 HydrophobicContact CB-CD1 4.21Å; A179-L224 HydrophobicContact CB-CD2 3.98Å; I187-L224 HydrophobicContact CG2-CD2 4.38Å; L201-L224 HydrophobicContact CD1-CD2 4.02Å; L211-L224 HydrophobicContact CD2-CD1 4.16Å; L211-L224 HydrophobicContact CD2-CD2 4.49Å; L211-L224 HydrophobicContact CD2-CG 4.43Å; F213-L224 HydrophobicContact CD1-CB 4.03Å; F213-L224 HydrophobicContact CD1-CD1 4.1Å; F213-L224 HydrophobicContact CD2-CD1 4.06Å; F213-L224 HydrophobicContact CE1-CB 3.96Å; F213-L224 HydrophobicContact CE1-CD1 4.1Å; F213-L224 HydrophobicContact CE1-CG 4.44Å; F213-L224 HydrophobicContact CE2-CD1 4.06Å; F213-L224 HydrophobicContact CG-CD1 4.09Å; F213-L224 HydrophobicContact CZ-CD1 4.08Å; F213-L224 HydrophobicContact CZ-CD2 4.49Å; L224-W236 HydrophobicContact CB-CB 4.17Å; L224-W236 HydrophobicContact CD2-CG 4.49Å; L224-W236 PolarHBondContact N-O 3.01Å; L224-W236 VanDerWaalsContact O-CD1 3.3Å; L224-W236 PolarHBondContact O-N 3.17Å
225	S	97.4	Very high	91.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.9	172.1	60.8	0	0	0	0	110.1	L211 Q212 C234 F267	L211-S225 WeakPolarHBondContact CA-O 3.19Å; Q212-S225 PolarHBondContact N-O 3.16Å; Q212-S225 PolarHBondContact O-N 2.83Å; Q212-S225 PolarHBondContact O-OG 2.88Å; S225-C234 WeakPolarHBondContact CA-O 3.34Å; S225-F267 VanDerWaalsContact OG-CE2 3.23Å; S225-F267 WeakPolarHBondContact OG-CE2 3.47Å
226	S	97.9	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141	169.9	62.9	0	0	0	0	110.9	I187 H204 S210 L211 I233 C234 W236	I187-S226 VanDerWaalsContact CD1-CB 3.49Å; I187-S226 WeakPolarHBondContact CD1-OG 3.46Å; H204-S226 WeakPolarHBondContact NE2-CB 3.4Å; H204-S226 PolarHBondContact NE2-OG 2.99Å; S210-S226 VanDerWaalsContact O-CA 3.32Å; S210-S226 WeakPolarHBondContact O-CA 3.39Å; L211-S226 VanDerWaalsContact CD2-CB 3.48Å; S226-I233 WeakPolarHBondContact O-CA 3.39Å; S226-C234 PolarHBondContact N-O 3.05Å; S226-C234 PolarHBondContact O-N 3.2Å; S226-C234 WeakPolarHBondContact OG-CB 3.43Å; S226-W236 PolarHBondContact OG-NE1 3.43Å
227	T	96.8	Very high	92.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.9	172.8	65.2	0	0	0	0	109.9	T209 S210 I233 M262 T276	T209-T227 PolarHBondContact N-O 2.92Å; T209-T227 PolarHBondContact OG1-O 2.89Å; T209-T227 VanDerWaalsContact OG1-O 3.13Å; T209-T227 PolarHBondContact OG1-OG1 2.76Å; S210-T227 WeakPolarHBondContact CB-OG1 3.29Å; S210-T227 PolarHBondContact N-OG1 2.82Å; S210-T227 VanDerWaalsContact N-OG1 3.12Å; S210-T227 PolarHBondContact O-N 3.12Å; T227-I233 HydrophobicContact CG2-CG1 4.1Å; T227-M262 HydrophobicContact CG2-CB 4.27Å; T227-T276 HydrophobicContact CG2-CG2 4.23Å
228	G	95.6	Very high	93.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157	-178.9	0	0	0	0	0	114	H204 S207 D230 G231 T232 M262	H204-G228 PolarHBondContact CE1-N 3.19Å; S207-G228 CarbonylContact O-C 3.5Å; S207-G228 WeakPolarHBondContact O-CA 3.35Å; G228-D230 WeakPolarHBondContact CA-OD1 3.19Å; G228-D230 PolarHBondContact O-N 3.45Å; G228-D230 VanDerWaalsContact O-N 3.13Å; G228-G231 PolarHBondContact O-N 2.83Å; G228-T232 PolarHBondContact N-O 2.82Å; G228-M262 PolarHBondContact O-N 2.94Å; G228-M262 VanDerWaalsContact O-N 3.1Å
229	A	94.6	Very high	94.4	Very high	17 Å²	17	21.7 Å²	21.7	14%	0.14	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.3	169.6	0	0	0	0	0	112.8	A206 S207 T209 Q261	A206-A229 HydrophobicContact CB-CB 4.03Å; S207-A229 PolarHBondContact O-N 3.23Å; S207-A229 WeakPolarHBondContact OG-CB 3.19Å; T209-A229 HydrophobicContact CG2-CB 4.12Å; A229-Q261 HydrophobicContact CB-CG 4.4Å; A229-Q261 WeakPolarHBondContact O-CG 3.25Å
230	D	92.9	Very high	94.8	Very high	32 Å²	32	19.9 Å²	19.9	17%	0.171	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	4.6	172.1	61.8	-6.3	0	0	0	112.9	H204 S205 A206 G228 T232 K251	H204-D230 WeakPolarHBondContact CA-OD2 3.25Å; H204-D230 IonicContact CG-OD2 3.07Å; H204-D230 IonicContact ND1-OD1 3.19Å; H204-D230 PolarHBondContact ND1-OD1 2.96Å; H204-D230 VanDerWaalsContact ND1-OD1 3.14Å; H204-D230 IonicContact ND1-OD2 2.8Å; H204-D230 PolarHBondContact ND1-OD2 2.81Å; S205-D230 PolarHBondContact N-OD2 2.94Å; S205-D230 WeakPolarHBondContact OG-CB 3.45Å; S205-D230 PolarHBondContact OG-OD2 2.9Å; A206-D230 HydrophobicContact CB-CB 3.8Å; G228-D230 WeakPolarHBondContact CA-OD1 3.19Å; G228-D230 PolarHBondContact O-N 3.45Å; G228-D230 VanDerWaalsContact O-N 3.13Å; D230-T232 VanDerWaalsContact C-N 3.28Å; D230-T232 HydrophobicContact CB-CG2 4.4Å; D230-T232 PolarHBondContact O-N 2.89Å; D230-T232 WeakPolarHBondContact OD1-CB 3.39Å; D230-T232 PolarHBondContact OD1-N 2.5Å; D230-T232 VanDerWaalsContact OD1-N 3.15Å; D230-T232 PolarHBondContact OD1-OG1 3.47Å; D230-T232 PolarHBondContact OD2-OG1 3.22Å; D230-K251 IonicContact OD2-NZ 3.73Å
231	G	92.6	Very high	95	Very high	4 Å²	4	20.5 Å²	20.5	4%	0.041	12%	0.123	C	C	.	.	S	Bend	trans	73.8	21.5	-178.7	0	0	0	0	0	112.8	G228 E254 V260	G228-G231 PolarHBondContact O-N 2.83Å; G231-E254 PolarHBondContact O-N 2.91Å; G231-V260 VanDerWaalsContact CA-O 3.27Å; G231-V260 WeakPolarHBondContact CA-O 3.42Å; G231-V260 PolarHBondContact N-O 2.81Å
232	T	94.4	Very high	95.2	Very high	4 Å²	4	18 Å²	18	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.4	-177.5	75.8	0	0	0	0	112.1	H204 G228 D230 F252 T253	H204-T232 PolarHBondContact CE1-O 3.38Å; H204-T232 PolarHBondContact CE1-OG1 2.81Å; H204-T232 PolarHBondContact ND1-OG1 3.47Å; G228-T232 PolarHBondContact N-O 2.82Å; D230-T232 VanDerWaalsContact C-N 3.28Å; D230-T232 HydrophobicContact CB-CG2 4.4Å; D230-T232 PolarHBondContact O-N 2.89Å; D230-T232 WeakPolarHBondContact OD1-CB 3.39Å; D230-T232 PolarHBondContact OD1-N 2.5Å; D230-T232 VanDerWaalsContact OD1-N 3.15Å; D230-T232 PolarHBondContact OD1-OG1 3.47Å; D230-T232 PolarHBondContact OD2-OG1 3.22Å; T232-F252 WeakPolarHBondContact CA-O 3.44Å; T232-T253 HydrophobicContact CG2-CG2 4.1Å
233	I	96	Very high	95.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.2	173.2	-58.9	169.3	0	0	0	107.4	S226 T227 F235 F252 M262 T276 Y286	S226-I233 WeakPolarHBondContact O-CA 3.39Å; T227-I233 HydrophobicContact CG2-CG1 4.1Å; I233-F235 HydrophobicContact CG2-CE1 4.18Å; I233-F235 HydrophobicContact CG2-CE2 3.92Å; I233-F235 HydrophobicContact CG2-CZ 3.7Å; I233-F252 PolarHBondContact N-O 2.82Å; I233-F252 PolarHBondContact O-N 2.95Å; I233-M262 HydrophobicContact CD1-CE 3.81Å; I233-M262 HydrophobicContact CD1-CG 4.21Å; I233-M262 HydrophobicContact CD1-SD 3.95Å; I233-M262 HydrophobicContact CG1-CE 4.39Å; I233-M262 HydrophobicContact CG1-CG 3.78Å; I233-M262 HydrophobicContact CG1-SD 4.17Å; I233-T276 HydrophobicContact CD1-CG2 3.63Å; I233-T276 VanDerWaalsContact CD1-OG1 3.25Å; I233-T276 WeakPolarHBondContact CD1-OG1 3.38Å; I233-Y286 HydrophobicContact CD1-CE2 3.48Å; I233-Y286 VanDerWaalsContact CD1-CE2 3.48Å; I233-Y286 VanDerWaalsContact CD1-OH 3.27Å; I233-Y286 WeakPolarHBondContact CD1-OH 3.38Å
234	C	97.1	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.5	178.3	-69.1	0	0	0	0	110.1	S225 S226 W236 P249	S225-C234 WeakPolarHBondContact CA-O 3.34Å; S226-C234 PolarHBondContact N-O 3.05Å; S226-C234 PolarHBondContact O-N 3.2Å; S226-C234 WeakPolarHBondContact OG-CB 3.43Å; C234-W236 HydrophobicContact CB-CZ2 3.9Å; C234-P249 HydrophobicContact CB-CB 3.73Å; C234-P249 HydrophobicContact CB-CG 4.09Å
235	F	97.3	Very high	95.3	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116	171.4	-61.8	-71.1	0	0	0	110.2	Y223 I233 P249 T250 F252 L274 Y286 F288 P293	Y223-F235 HydrophobicContact CD1-CB 4.12Å; I233-F235 HydrophobicContact CG2-CE1 4.18Å; I233-F235 HydrophobicContact CG2-CE2 3.92Å; I233-F235 HydrophobicContact CG2-CZ 3.7Å; F235-P249 CarbonylContact O-C 3.55Å; F235-P249 VanDerWaalsContact O-CA 3.26Å; F235-P249 WeakPolarHBondContact O-CA 3.25Å; F235-T250 PolarHBondContact N-O 2.93Å; F235-T250 PolarHBondContact O-N 2.87Å; F235-F252 AromaticContact CD2-CD2 3.75Å; F235-F252 HydrophobicContact CD2-CD2 3.75Å; F235-F252 AromaticContact CD2-CE2 3.68Å; F235-F252 HydrophobicContact CD2-CE2 3.68Å; F235-F252 AromaticContact CE2-CD2 3.55Å; F235-F252 HydrophobicContact CE2-CD2 3.55Å; F235-F252 AromaticContact CE2-CE2 3.64Å; F235-F252 HydrophobicContact CE2-CE2 3.64Å; F235-L274 HydrophobicContact CE1-CD2 3.6Å; F235-L274 HydrophobicContact CZ-CD2 3.91Å; F235-Y286 AromaticContact CE2-CD1 3.74Å; F235-Y286 HydrophobicContact CE2-CD1 3.74Å; F235-Y286 HydrophobicContact CE2-CE1 4.09Å; F235-Y286 HydrophobicContact CE2-CG 4.1Å; F235-Y286 AromaticContact CZ-CD1 3.87Å; F235-Y286 HydrophobicContact CZ-CD1 3.87Å; F235-Y286 HydrophobicContact CZ-CD2 4.13Å; F235-Y286 HydrophobicContact CZ-CE1 4.41Å; F235-Y286 AromaticContact CZ-CG 3.72Å; F235-Y286 HydrophobicContact CZ-CG 3.72Å; F235-F288 AromaticContact CD1-CE1 3.98Å; F235-F288 HydrophobicContact CD1-CE1 3.98Å; F235-F288 AromaticContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CE1-CE1 4.12Å; F235-F288 HydrophobicContact CE1-CE2 4.4Å; F235-F288 AromaticContact CE1-CZ 3.43Å; F235-F288 HydrophobicContact CE1-CZ 3.43Å; F235-F288 VanDerWaalsContact CE1-CZ 3.43Å; F235-F288 HydrophobicContact CZ-CZ 4.07Å; F235-P293 HydrophobicContact CB-CB 4.39Å; F235-P293 HydrophobicContact CB-CG 3.76Å; F235-P293 HydrophobicContact CD1-CB 4.31Å; F235-P293 HydrophobicContact CD2-CB 3.55Å; F235-P293 HydrophobicContact CD2-CG 3.57Å; F235-P293 HydrophobicContact CE2-CB 3.79Å; F235-P293 HydrophobicContact CE2-CG 4.31Å; F235-P293 HydrophobicContact CG-CB 3.82Å; F235-P293 HydrophobicContact CG-CG 3.71Å; F235-P293 HydrophobicContact CZ-CB 4.28Å
236	W	97.4	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.2	-178.9	-48.4	88.8	0	0	0	109.2	I187 L201 Y223 L224 S226 C234 I245 P247 P249	I187-W236 HydrophobicContact CD1-CZ2 3.95Å; L201-W236 HydrophobicContact CB-CD2 4.17Å; L201-W236 HydrophobicContact CB-CE3 3.85Å; L201-W236 HydrophobicContact CB-CH2 3.66Å; L201-W236 HydrophobicContact CB-CZ2 4Å; L201-W236 HydrophobicContact CB-CZ3 3.57Å; L201-W236 HydrophobicContact CD1-CB 4.37Å; L201-W236 HydrophobicContact CD1-CD2 3.77Å; L201-W236 HydrophobicContact CD1-CE3 3.94Å; L201-W236 HydrophobicContact CD1-CG 3.95Å; L201-W236 HydrophobicContact CD2-CE3 3.96Å; L201-W236 HydrophobicContact CD2-CZ3 4.19Å; L201-W236 HydrophobicContact CG-CD2 4.41Å; L201-W236 HydrophobicContact CG-CE3 4.14Å; L201-W236 HydrophobicContact CG-CZ3 4.31Å; Y223-W236 WeakPolarHBondContact CA-O 3.48Å; L224-W236 HydrophobicContact CB-CB 4.17Å; L224-W236 HydrophobicContact CD2-CG 4.49Å; L224-W236 PolarHBondContact N-O 3.01Å; L224-W236 VanDerWaalsContact O-CD1 3.3Å; L224-W236 PolarHBondContact O-N 3.17Å; S226-W236 PolarHBondContact OG-NE1 3.43Å; C234-W236 HydrophobicContact CB-CZ2 3.9Å; W236-I245 HydrophobicContact CB-CG2 4.3Å; W236-P247 WeakPolarHBondContact CZ3-O 3.19Å; W236-P249 HydrophobicContact CD2-CB 3.81Å; W236-P249 HydrophobicContact CD2-CG 4.45Å; W236-P249 HydrophobicContact CE3-CB 3.74Å; W236-P249 HydrophobicContact CE3-CG 4.1Å; W236-P249 HydrophobicContact CG-CB 4.47Å; W236-P249 HydrophobicContact CH2-CB 4Å; W236-P249 HydrophobicContact CH2-CG 3.56Å; W236-P249 HydrophobicContact CZ2-CB 4.06Å; W236-P249 HydrophobicContact CZ2-CG 3.94Å; W236-P249 HydrophobicContact CZ3-CB 3.85Å; W236-P249 VanDerWaalsContact CZ3-CD 3.44Å; W236-P249 HydrophobicContact CZ3-CG 3.66Å
237	L	95.6	Very high	94.9	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.246	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.1	175.2	-180	68.7	0	0	0	109.6	K221 Y223 N246	K221-L237 HydrophobicContact CB-CD1 3.92Å; K221-L237 HydrophobicContact CD-CD1 4.26Å; K221-L237 HydrophobicContact CG-CD1 4.14Å; Y223-L237 HydrophobicContact CD1-CD1 4.48Å; Y223-L237 HydrophobicContact CE1-CB 4.11Å; Y223-L237 HydrophobicContact CE1-CD1 3.93Å; Y223-L237 HydrophobicContact CE2-CD1 4.18Å; L237-N246 HydrophobicContact CB-CB 4.42Å; L237-N246 WeakPolarHBondContact O-CB 3.21Å; L237-N246 PolarHBondContact O-N 2.71Å
238	W	95.7	Very high	94.8	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.9	173.8	70.1	-85	0	0	0	111.6	N172 E174 M177 F213 R222 A240 L243 K244 I245	N172-W238 HydrophobicContact CB-CZ2 4.19Å; N172-W238 WeakPolarHBondContact ND2-CH2 3.08Å; E174-W238 WeakPolarHBondContact OE2-CH2 3.31Å; M177-W238 HydrophobicContact CE-CD2 3.59Å; M177-W238 HydrophobicContact CE-CE3 3.32Å; M177-W238 HydrophobicContact CE-CG 4.38Å; M177-W238 HydrophobicContact CE-CH2 3.71Å; M177-W238 HydrophobicContact CE-CZ2 3.94Å; M177-W238 HydrophobicContact CE-CZ3 3.33Å; F213-W238 HydrophobicContact CD1-CZ2 4.26Å; F213-W238 AromaticContact CD1-NE1 3.64Å; F213-W238 HydrophobicContact CE1-CZ2 4.39Å; F213-W238 AromaticContact CE1-NE1 3.72Å; R222-W238 HydrophobicContact CB-CD2 3.68Å; R222-W238 HydrophobicContact CB-CE3 4.4Å; R222-W238 HydrophobicContact CB-CG 4.06Å; R222-W238 HydrophobicContact CB-CH2 4.12Å; R222-W238 HydrophobicContact CB-CZ2 3.34Å; R222-W238 HydrophobicContact CG-CD2 4.37Å; R222-W238 HydrophobicContact CG-CH2 3.88Å; R222-W238 HydrophobicContact CG-CZ2 3.51Å; R222-W238 HydrophobicContact CG-CZ3 4.49Å; R222-W238 PolarHBondContact N-O 2.97Å; R222-W238 PolarHBondContact O-N 3.29Å; W238-A240 HydrophobicContact CH2-CB 4.26Å; W238-A240 VanDerWaalsContact CZ3-CA 3.46Å; W238-A240 HydrophobicContact CZ3-CB 4.09Å; W238-L243 HydrophobicContact CZ3-CD2 4.08Å; W238-K244 CarbonylContact C-O 3.59Å; W238-K244 VanDerWaalsContact CA-O 3.25Å; W238-K244 WeakPolarHBondContact CA-O 3.13Å; W238-K244 WeakPolarHBondContact CB-O 3.18Å; W238-I245 HydrophobicContact CB-CB 4.11Å; W238-I245 HydrophobicContact CB-CG1 3.61Å; W238-I245 HydrophobicContact CB-CG2 4.31Å; W238-I245 HydrophobicContact CG-CG1 4.38Å
239	D	94.8	Very high	94.8	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.214	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124	-177	179.1	-90.5	0	0	0	111.6	S220 G241 T242 L243 K244	S220-D239 WeakPolarHBondContact CB-OD2 3.43Å; S220-D239 PolarHBondContact OG-OD2 2.92Å; D239-G241 VanDerWaalsContact C-N 3.33Å; D239-G241 PolarHBondContact O-N 2.98Å; D239-G241 WeakPolarHBondContact OD1-CA 3.36Å; D239-G241 PolarHBondContact OD1-N 2.93Å; D239-T242 WeakPolarHBondContact CB-OG1 3.26Å; D239-T242 PolarHBondContact OD1-N 3.05Å; D239-T242 PolarHBondContact OD1-OG1 3.07Å; D239-L243 VanDerWaalsContact O-CA 3.25Å; D239-L243 WeakPolarHBondContact O-CA 3.27Å; D239-L243 PolarHBondContact O-N 2.61Å; D239-K244 PolarHBondContact N-O 3.24Å
240	A	91.8	Very high	94.8	Very high	28 Å²	28	47 Å²	47	23%	0.231	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-29.9	-176.3	0	0	0	0	0	114.1	S220 R222 W238	S220-A240 WeakPolarHBondContact O-CB 3.25Å; S220-A240 PolarHBondContact O-N 2.81Å; R222-A240 HydrophobicContact CG-CB 4.14Å; W238-A240 HydrophobicContact CH2-CB 4.26Å; W238-A240 VanDerWaalsContact CZ3-CA 3.46Å; W238-A240 HydrophobicContact CZ3-CB 4.09Å
241	G	91.8	Very high	94.9	Very high	69 Å²	69	49.7 Å²	49.7	71%	0.711	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-37.1	-179.4	0	0	0	0	0	112.7	D239	D239-G241 VanDerWaalsContact C-N 3.33Å; D239-G241 PolarHBondContact O-N 2.98Å; D239-G241 WeakPolarHBondContact OD1-CA 3.36Å; D239-G241 PolarHBondContact OD1-N 2.93Å
242	T	94.6	Very high	94.9	Very high	81 Å²	81	51.7 Å²	51.7	50%	0.497	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-13.1	-174.4	60.9	0	0	0	0	114.2	D239 K244	D239-T242 WeakPolarHBondContact CB-OG1 3.26Å; D239-T242 PolarHBondContact OD1-N 3.05Å; D239-T242 PolarHBondContact OD1-OG1 3.07Å; T242-K244 PolarHBondContact O-N 2.79Å; T242-K244 PolarHBondContact OG1-N 3.47Å
243	L	94.4	Very high	94.6	Very high	42 Å²	42	55.9 Å²	55.9	22%	0.22	30%	0.303	C	S	.	.			trans	58.1	19.3	-171.6	-52.4	178.1	0	0	0	113.7	T176 M177 L198 W238 D239	T176-L243 WeakPolarHBondContact OG1-CD2 3.24Å; M177-L243 HydrophobicContact CG-CD2 4.24Å; M177-L243 HydrophobicContact SD-CB 4.07Å; M177-L243 HydrophobicContact SD-CD2 4.15Å; L198-L243 HydrophobicContact CD1-CB 4.33Å; W238-L243 HydrophobicContact CZ3-CD2 4.08Å; D239-L243 VanDerWaalsContact O-CA 3.25Å; D239-L243 WeakPolarHBondContact O-CA 3.27Å; D239-L243 PolarHBondContact O-N 2.61Å
244	K	95.7	Very high	93.7	Very high	158 Å²	158	56.5 Å²	56.5	69%	0.687	31%	0.306	S	S	*	.			trans	-83	130.1	177.4	-70.2	-176.8	177.8	-178.7	0	110.3	W238 D239 T242	W238-K244 CarbonylContact C-O 3.59Å; W238-K244 VanDerWaalsContact CA-O 3.25Å; W238-K244 WeakPolarHBondContact CA-O 3.13Å; W238-K244 WeakPolarHBondContact CB-O 3.18Å; D239-K244 PolarHBondContact N-O 3.24Å; T242-K244 PolarHBondContact O-N 2.79Å; T242-K244 PolarHBondContact OG1-N 3.47Å
245	I	96.8	Very high	92.2	Very high	24 Å²	24	66 Å²	66	12%	0.123	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-104.2	134.5	176.2	-58.7	160.3	0	0	0	108.8	M177 V189 A199 L201 W236 W238 P247	M177-I245 HydrophobicContact SD-CD1 4.45Å; V189-I245 HydrophobicContact CB-CD1 3.69Å; V189-I245 HydrophobicContact CG1-CD1 3.66Å; V189-I245 HydrophobicContact CG2-CD1 3.63Å; A199-I245 HydrophobicContact CB-CB 4.15Å; A199-I245 HydrophobicContact CB-CD1 3.82Å; L201-I245 HydrophobicContact CD1-CG2 4.11Å; L201-I245 HydrophobicContact CD2-CB 4.41Å; L201-I245 HydrophobicContact CD2-CG2 3.65Å; W236-I245 HydrophobicContact CB-CG2 4.3Å; W238-I245 HydrophobicContact CB-CB 4.11Å; W238-I245 HydrophobicContact CB-CG1 3.61Å; W238-I245 HydrophobicContact CB-CG2 4.31Å; W238-I245 HydrophobicContact CG-CG1 4.38Å; I245-P247 WeakPolarHBondContact O-CD 3.44Å
246	N	95.1	Very high	90.1	Very high	73 Å²	73	72.1 Å²	72.1	39%	0.39	38%	0.381	S	S	.	.			trans	-74.7	118.6	170.9	-174.6	-6	0	0	0	109.3	L237 R248	L237-N246 HydrophobicContact CB-CB 4.42Å; L237-N246 WeakPolarHBondContact O-CB 3.21Å; L237-N246 PolarHBondContact O-N 2.71Å; N246-R248 PolarHBondContact O-N 3.34Å; N246-R248 PolarHBondContact OD1-N 2.92Å
247	P	92.1	Very high	88.5	Confident	81 Å²	81	79.6 Å²	79.6	53%	0.526	41%	0.41	S	S	.	.	S	Bend	trans	-74.2	-2.8	-180	32.4	-37.5	0	0	0	113.3	W236 I245	W236-P247 WeakPolarHBondContact CZ3-O 3.19Å; I245-P247 WeakPolarHBondContact O-CD 3.44Å
248	R	94.4	Very high	87.1	Confident	210 Å²	210	84 Å²	84	79%	0.792	44%	0.441	S	S	*	.	S	Bend	trans	-102.9	107.6	173.9	-65.3	-176.8	-179.3	-179	0.4	109.3	N246	N246-R248 PolarHBondContact O-N 3.34Å; N246-R248 PolarHBondContact OD1-N 2.92Å
249	P	95.6	Very high	86.3	Confident	33 Å²	33	86.6 Å²	86.6	21%	0.214	47%	0.47	C	S	.	.			trans	-80.4	155.3	-179.7	32.4	-32.2	0	0	0	111.4	C234 F235 W236 K251	C234-P249 HydrophobicContact CB-CB 3.73Å; C234-P249 HydrophobicContact CB-CG 4.09Å; F235-P249 CarbonylContact O-C 3.55Å; F235-P249 VanDerWaalsContact O-CA 3.26Å; F235-P249 WeakPolarHBondContact O-CA 3.25Å; W236-P249 HydrophobicContact CD2-CB 3.81Å; W236-P249 HydrophobicContact CD2-CG 4.45Å; W236-P249 HydrophobicContact CE3-CB 3.74Å; W236-P249 HydrophobicContact CE3-CG 4.1Å; W236-P249 HydrophobicContact CG-CB 4.47Å; W236-P249 HydrophobicContact CH2-CB 4Å; W236-P249 HydrophobicContact CH2-CG 3.56Å; W236-P249 HydrophobicContact CZ2-CB 4.06Å; W236-P249 HydrophobicContact CZ2-CG 3.94Å; W236-P249 HydrophobicContact CZ3-CB 3.85Å; W236-P249 VanDerWaalsContact CZ3-CD 3.44Å; W236-P249 HydrophobicContact CZ3-CG 3.66Å; P249-K251 PolarHBondContact O-N 2.88Å
250	T	95.1	Very high	85.9	Confident	53 Å²	53	85.6 Å²	85.6	33%	0.325	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	109.9	156.3	-53	0	0	0	0	107.2	F235 F252 P293	F235-T250 PolarHBondContact N-O 2.93Å; F235-T250 PolarHBondContact O-N 2.87Å; T250-F252 HydrophobicContact CG2-CD2 4.47Å; T250-F252 HydrophobicContact CG2-CE2 3.74Å; T250-F252 HydrophobicContact CG2-CZ 4.21Å; T250-P293 HydrophobicContact CG2-CG 4.21Å
251	K	94.4	Very high	85.9	Confident	88 Å²	88	88.4 Å²	88.4	38%	0.383	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.4	-174.9	-175.5	170.2	-177.9	166.5	0	110.8	G203 D230 P249	G203-K251 PolarHBondContact O-NZ 3.13Å; D230-K251 IonicContact OD2-NZ 3.73Å; P249-K251 PolarHBondContact O-N 2.88Å
252	F	93.4	Very high	86	Confident	46 Å²	46	85.1 Å²	85.1	20%	0.202	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.2	168.8	-68.5	-90.4	0	0	0	108.3	T232 I233 F235 T250 Y286 P293 K295	T232-F252 WeakPolarHBondContact CA-O 3.44Å; I233-F252 PolarHBondContact N-O 2.82Å; I233-F252 PolarHBondContact O-N 2.95Å; F235-F252 AromaticContact CD2-CD2 3.75Å; F235-F252 HydrophobicContact CD2-CD2 3.75Å; F235-F252 AromaticContact CD2-CE2 3.68Å; F235-F252 HydrophobicContact CD2-CE2 3.68Å; F235-F252 AromaticContact CE2-CD2 3.55Å; F235-F252 HydrophobicContact CE2-CD2 3.55Å; F235-F252 AromaticContact CE2-CE2 3.64Å; F235-F252 HydrophobicContact CE2-CE2 3.64Å; T250-F252 HydrophobicContact CG2-CD2 4.47Å; T250-F252 HydrophobicContact CG2-CE2 3.74Å; T250-F252 HydrophobicContact CG2-CZ 4.21Å; F252-Y286 HydrophobicContact CB-CE1 4.12Å; F252-Y286 AromaticContact CD1-CE1 3.99Å; F252-Y286 HydrophobicContact CD1-CE1 3.99Å; F252-Y286 HydrophobicContact CD2-CD1 4.34Å; F252-Y286 AromaticContact CD2-CE1 3.85Å; F252-Y286 HydrophobicContact CD2-CE1 3.85Å; F252-Y286 HydrophobicContact CE1-CE1 4.39Å; F252-Y286 HydrophobicContact CE2-CD1 4.34Å; F252-Y286 HydrophobicContact CE2-CE1 4.26Å; F252-Y286 AromaticContact CG-CE1 3.7Å; F252-Y286 HydrophobicContact CG-CE1 3.7Å; F252-P293 HydrophobicContact CE2-CB 4.42Å; F252-P293 HydrophobicContact CE2-CG 4.43Å; F252-P293 VanDerWaalsContact CZ-O 3.29Å; F252-P293 WeakPolarHBondContact CZ-O 3.34Å; F252-K295 HydrophobicContact CD1-CB 4.47Å; F252-K295 HydrophobicContact CE1-CB 4.3Å
253	T	88.5	Confident	86	Confident	93 Å²	93	83.5 Å²	83.5	57%	0.571	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.2	175.8	-56.3	0	0	0	0	108.1	T232	T232-T253 HydrophobicContact CG2-CG2 4.1Å
254	E	76.8	Confident	85.9	Confident	12 Å²	12	82.2 Å²	82.2	6%	0.056	42%	0.422	C	S	.	.			trans	-78.6	157.7	176.7	-61.7	-58.2	141.6	0	0	110.6	G231 R284 Y286 K295	G231-E254 PolarHBondContact O-N 2.91Å; E254-R284 VanDerWaalsContact CD-CD 3.47Å; E254-R284 VanDerWaalsContact CG-NE 3.32Å; E254-R284 IonicContact OE1-NE 2.71Å; E254-R284 IonicContact OE2-CZ 2.86Å; E254-R284 IonicContact OE2-NE 3.44Å; E254-R284 PolarHBondContact OE2-NE 2.98Å; E254-R284 IonicContact OE2-NH2 2.71Å; E254-R284 PolarHBondContact OE2-NH2 3.43Å; E254-Y286 PolarHBondContact OE1-OH 3.01Å; E254-K295 IonicContact OE1-NZ 3.24Å; E254-K295 PolarHBondContact OE1-NZ 3.49Å; E254-K295 IonicContact OE2-NZ 3.98Å; E254-K295 PolarHBondContact OE2-NZ 2.89Å
255	R	64.9	Low	85.9	Confident	201 Å²	201	75 Å²	75	76%	0.758	39%	0.391	S	S	*	.			trans	-50.1	130.7	-172.8	-70.3	-175.8	-177.5	178.4	2.7	109.3	R257	R255-R257 PolarHBondContact O-N 2.79Å
256	P	53.3	Low	85.9	Confident	129 Å²	129	74.3 Å²	74.3	84%	0.838	39%	0.388	S	S	*	.			trans	-73.2	70.6	-172.1	30.7	-35.8	0	0	0	110.3
257	R	65.1	Low	85.7	Confident	157 Å²	157	71.4 Å²	71.4	59%	0.592	37%	0.372	S	S	*	.			trans	-81.6	128.5	159.7	-69.8	-179.4	-179.9	169.3	-0	106	R255 G259 V260	R255-R257 PolarHBondContact O-N 2.79Å; R257-G259 PolarHBondContact O-N 2.78Å; R257-V260 HydrophobicContact CB-CG2 3.8Å; R257-V260 PolarHBondContact O-N 2.75Å
258	P	64.6	Low	85.6	Confident	139 Å²	139	67.8 Å²	67.8	90%	0.903	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	128.3	176.4	-24.7	33	0	0	0	110.6
259	G	78.9	Confident	85.1	Confident	61 Å²	61	60.3 Å²	60.3	63%	0.629	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	6.7	173.7	0	0	0	0	0	117	R257 Q261 T279	R257-G259 PolarHBondContact O-N 2.78Å; G259-Q261 PolarHBondContact O-N 2.96Å; G259-T279 PolarHBondContact O-OG1 3.13Å
260	V	87.3	Confident	84.4	Confident	19 Å²	19	60.8 Å²	60.8	12%	0.115	34%	0.343	C	S	.	.			trans	-74.1	125.4	172	-177	0	0	0	0	110.2	G231 R257 T279 D280	G231-V260 VanDerWaalsContact CA-O 3.27Å; G231-V260 WeakPolarHBondContact CA-O 3.42Å; G231-V260 PolarHBondContact N-O 2.81Å; R257-V260 HydrophobicContact CB-CG2 3.8Å; R257-V260 PolarHBondContact O-N 2.75Å; V260-T279 WeakPolarHBondContact CA-OG1 3.47Å; V260-D280 HydrophobicContact CG1-CB 4.04Å; V260-D280 HydrophobicContact CG2-CB 4.03Å
261	Q	92.1	Very high	83.9	Confident	88 Å²	88	58.3 Å²	58.3	41%	0.411	33%	0.328	S	S	.	.			trans	-128.5	140.2	179.6	-52.8	-173.7	-7.3	0	0	108.9	A229 G259 S278 T279	A229-Q261 HydrophobicContact CB-CG 4.4Å; A229-Q261 WeakPolarHBondContact O-CG 3.25Å; G259-Q261 PolarHBondContact O-N 2.96Å; Q261-S278 CarbonylContact O-C 3.6Å; Q261-S278 WeakPolarHBondContact O-CA 3.32Å; Q261-S278 WeakPolarHBondContact O-CB 3.32Å; Q261-T279 HydrophobicContact CB-CG2 3.83Å; Q261-T279 HydrophobicContact CG-CG2 4.28Å; Q261-T279 PolarHBondContact N-OG1 3.18Å; Q261-T279 PolarHBondContact O-N 3.1Å
262	M	94.1	Very high	83.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.3	167	-60.2	-56.4	-37.5	0	0	108.8	T209 T227 G228 I233 T276 G277	T209-M262 VanDerWaalsContact CB-O 3.31Å; T209-M262 WeakPolarHBondContact CB-O 3.49Å; T209-M262 WeakPolarHBondContact CG2-O 3.31Å; T209-M262 PolarHBondContact OG1-O 2.82Å; T227-M262 HydrophobicContact CG2-CB 4.27Å; G228-M262 PolarHBondContact O-N 2.94Å; G228-M262 VanDerWaalsContact O-N 3.1Å; I233-M262 HydrophobicContact CD1-CE 3.81Å; I233-M262 HydrophobicContact CD1-CG 4.21Å; I233-M262 HydrophobicContact CD1-SD 3.95Å; I233-M262 HydrophobicContact CG1-CE 4.39Å; I233-M262 HydrophobicContact CG1-CG 3.78Å; I233-M262 HydrophobicContact CG1-SD 4.17Å; M262-T276 WeakPolarHBondContact CE-OG1 3.29Å; M262-G277 WeakPolarHBondContact CE-O 3.46Å
263	I	92.8	Very high	83.6	Confident	46 Å²	46	55.8 Å²	55.8	24%	0.236	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-48.2	-171.3	-58.5	167.7	0	0	0	111	G277 T279 K305 V306	I263-G277 PolarHBondContact N-O 2.89Å; I263-T279 HydrophobicContact CD1-CG2 3.72Å; I263-T279 HydrophobicContact CG1-CG2 4.05Å; I263-K305 HydrophobicContact CD1-CB 4.05Å; I263-K305 HydrophobicContact CD1-CD 4.09Å; I263-V306 WeakPolarHBondContact CD1-O 3.41Å
264	C	93.1	Very high	83.9	Confident	16 Å²	16	51.4 Å²	51.4	11%	0.108	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160	-172	62.8	0	0	0	0	111.6	T276 G277	C264-T276 CarbonylContact O-C 3.54Å; C264-T276 VanDerWaalsContact O-CA 3.25Å; C264-T276 WeakPolarHBondContact O-CA 3.11Å; C264-G277 PolarHBondContact N-O 3.33Å; C264-G277 PolarHBondContact O-N 3.28Å
265	S	96	Very high	84.9	Confident	5 Å²	5	50.8 Å²	50.8	4%	0.035	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.6	176.2	71.7	0	0	0	0	111.3	S210 Q212 A275	S210-S265 PolarHBondContact OG-OG 2.93Å; Q212-S265 PolarHBondContact NE2-O 2.78Å; S265-A275 CarbonylContact C-O 3.59Å; S265-A275 WeakPolarHBondContact CA-O 3.47Å
266	S	95.6	Very high	86.4	Confident	10 Å²	10	41.2 Å²	41.2	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	131.1	173.4	-170.1	0	0	0	0	111.4	Q212 L274 A275 I309 F311	Q212-S266 VanDerWaalsContact OE1-CA 3.3Å; S266-L274 VanDerWaalsContact C-CD1 3.43Å; S266-L274 WeakPolarHBondContact O-CA 3.4Å; S266-L274 WeakPolarHBondContact O-CD1 3.5Å; S266-A275 PolarHBondContact N-O 3.05Å; S266-A275 PolarHBondContact O-N 2.91Å; S266-I309 WeakPolarHBondContact CB-O 3.3Å; S266-F311 WeakPolarHBondContact O-CD2 3.14Å; S266-F311 WeakPolarHBondContact O-CE2 3.49Å; S266-F311 PolarHBondContact OG-N 2.94Å
267	F	92.7	Very high	88.3	Confident	13 Å²	13	35.1 Å²	35.1	6%	0.057	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.4	171.6	-83.6	-75.7	0	0	0	112.3	Q212 P215 S225 F273 L274 F288 F311	Q212-F267 HydrophobicContact CB-CD2 3.75Å; Q212-F267 HydrophobicContact CB-CE2 3.82Å; P215-F267 HydrophobicContact CG-CB 3.89Å; P215-F267 HydrophobicContact CG-CG 4.4Å; S225-F267 VanDerWaalsContact OG-CE2 3.23Å; S225-F267 WeakPolarHBondContact OG-CE2 3.47Å; F267-F273 WeakPolarHBondContact CA-O 3.29Å; F267-F273 WeakPolarHBondContact CD1-O 3.5Å; F267-L274 HydrophobicContact CB-CD1 4.36Å; F267-L274 HydrophobicContact CD1-CB 3.97Å; F267-L274 HydrophobicContact CD1-CD1 3.82Å; F267-L274 HydrophobicContact CD2-CD1 3.56Å; F267-L274 HydrophobicContact CE1-CB 3.84Å; F267-L274 HydrophobicContact CE1-CD1 3.92Å; F267-L274 HydrophobicContact CE1-CG 4.39Å; F267-L274 HydrophobicContact CE2-CD1 3.67Å; F267-L274 HydrophobicContact CG-CD1 3.63Å; F267-L274 HydrophobicContact CZ-CB 4.37Å; F267-L274 HydrophobicContact CZ-CD1 3.84Å; F267-L274 HydrophobicContact CZ-CD2 4.48Å; F267-L274 HydrophobicContact CZ-CG 4.47Å; F267-F288 HydrophobicContact CD1-CE2 4.44Å; F267-F288 HydrophobicContact CE1-CD2 4.29Å; F267-F288 HydrophobicContact CE1-CE1 4.35Å; F267-F288 AromaticContact CE1-CE2 3.6Å; F267-F288 HydrophobicContact CE1-CE2 3.6Å; F267-F288 AromaticContact CE1-CZ 3.61Å; F267-F288 HydrophobicContact CE1-CZ 3.61Å; F267-F288 HydrophobicContact CZ-CE2 4.41Å; F267-F288 AromaticContact CZ-CZ 4Å; F267-F288 HydrophobicContact CZ-CZ 4Å; F267-F311 WeakPolarHBondContact O-CB 3.27Å
268	S	89.9	Confident	89.7	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	19%	0.185	C	C	.	.			trans	-62.2	155.2	164.3	69.2	0	0	0	0	111.3	P215 G270 G271 M272 F273	P215-S268 WeakPolarHBondContact CG-O 3.36Å; S268-G270 PolarHBondContact O-N 2.78Å; S268-G271 PolarHBondContact O-N 2.88Å; S268-M272 PolarHBondContact OG-N 2.96Å; S268-F273 PolarHBondContact N-O 2.87Å; S268-F273 PolarHBondContact OG-N 3.12Å; S268-F273 VanDerWaalsContact OG-N 3.08Å; S268-F273 PolarHBondContact OG-O 3.4Å
269	A	83.4	Confident	91.1	Very high	53 Å²	53	23 Å²	23	44%	0.438	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.7	-174	0	0	0	0	0	115	N313	A269-N313 VanDerWaalsContact CB-O 3.24Å; A269-N313 WeakPolarHBondContact CB-O 3.29Å
270	G	79.8	Confident	91.6	Very high	44 Å²	44	21 Å²	21	45%	0.454	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.3	176.5	0	0	0	0	0	114.9	L216 S268 M272	L216-G270 WeakPolarHBondContact CD1-O 3.43Å; S268-G270 PolarHBondContact O-N 2.78Å; G270-M272 PolarHBondContact O-N 2.91Å
271	G	86.4	Confident	91.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	74.6	7.9	179.1	0	0	0	0	0	115.1	S268 F273	S268-G271 PolarHBondContact O-N 2.88Å; G271-F273 VanDerWaalsContact C-N 3.26Å; G271-F273 PolarHBondContact O-N 2.83Å
272	M	88.8	Confident	91.9	Very high	69 Å²	69	19 Å²	19	34%	0.34	12%	0.119	S	C	.	.	S	Bend	trans	-69.4	-25.3	178.2	-69.4	-62	-61.8	0	0	113.1	L216 S268 G270 F287 F288 G289	L216-M272 HydrophobicContact CD1-SD 3.76Å; S268-M272 PolarHBondContact OG-N 2.96Å; G270-M272 PolarHBondContact O-N 2.91Å; M272-F287 HydrophobicContact CE-CD2 4.42Å; M272-F287 HydrophobicContact CE-CE2 3.46Å; M272-F287 VanDerWaalsContact CE-CE2 3.46Å; M272-F287 HydrophobicContact CE-CZ 3.68Å; M272-F287 WeakPolarHBondContact O-CA 3.15Å; M272-F287 VanDerWaalsContact O-CD2 3.28Å; M272-F287 WeakPolarHBondContact O-CD2 3.39Å; M272-F288 PolarHBondContact O-N 3.26Å; M272-G289 VanDerWaalsContact CE-CA 3.45Å
273	F	92.5	Very high	91.9	Very high	13 Å²	13	19 Å²	19	6%	0.057	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144	-178.9	-58.1	-74.9	0	0	0	110.2	F267 S268 G271 V285 Y286 F287 I296 F311 F332 W337	F267-F273 WeakPolarHBondContact CA-O 3.29Å; F267-F273 WeakPolarHBondContact CD1-O 3.5Å; S268-F273 PolarHBondContact N-O 2.87Å; S268-F273 PolarHBondContact OG-N 3.12Å; S268-F273 VanDerWaalsContact OG-N 3.08Å; S268-F273 PolarHBondContact OG-O 3.4Å; G271-F273 VanDerWaalsContact C-N 3.26Å; G271-F273 PolarHBondContact O-N 2.83Å; F273-V285 HydrophobicContact CB-CG1 4.39Å; F273-V285 HydrophobicContact CD1-CG1 4.15Å; F273-Y286 CarbonylContact C-O 3.59Å; F273-Y286 WeakPolarHBondContact CA-O 3.27Å; F273-F287 HydrophobicContact CD1-CB 4.5Å; F273-F287 AromaticContact CD1-CD2 3.82Å; F273-F287 HydrophobicContact CD1-CD2 3.82Å; F273-F287 AromaticContact CE1-CD2 3.42Å; F273-F287 HydrophobicContact CE1-CD2 3.42Å; F273-F287 VanDerWaalsContact CE1-CD2 3.42Å; F273-F287 HydrophobicContact CE1-CE2 4Å; F273-F287 HydrophobicContact CE1-CG 4.38Å; F273-F287 HydrophobicContact CZ-CD2 4.05Å; F273-F287 HydrophobicContact CZ-CE2 4.17Å; F273-I296 HydrophobicContact CD1-CD1 3.96Å; F273-I296 HydrophobicContact CE1-CD1 3.72Å; F273-F311 HydrophobicContact CB-CE1 4.35Å; F273-F311 HydrophobicContact CB-CZ 3.97Å; F273-F332 HydrophobicContact CZ-CD1 4.18Å; F273-F332 AromaticContact CZ-CE1 3.94Å; F273-F332 HydrophobicContact CZ-CE1 3.94Å; F273-F332 HydrophobicContact CZ-CZ 4.2Å; F273-W337 HydrophobicContact CD1-CZ2 4.36Å; F273-W337 HydrophobicContact CG-CZ2 4.37Å
274	L	95	Very high	92	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.3	162.7	-178.4	79.4	0	0	0	107.8	F235 S266 F267 T276 V285 Y286 F288	F235-L274 HydrophobicContact CE1-CD2 3.6Å; F235-L274 HydrophobicContact CZ-CD2 3.91Å; S266-L274 VanDerWaalsContact C-CD1 3.43Å; S266-L274 WeakPolarHBondContact O-CA 3.4Å; S266-L274 WeakPolarHBondContact O-CD1 3.5Å; F267-L274 HydrophobicContact CB-CD1 4.36Å; F267-L274 HydrophobicContact CD1-CB 3.97Å; F267-L274 HydrophobicContact CD1-CD1 3.82Å; F267-L274 HydrophobicContact CD2-CD1 3.56Å; F267-L274 HydrophobicContact CE1-CB 3.84Å; F267-L274 HydrophobicContact CE1-CD1 3.92Å; F267-L274 HydrophobicContact CE1-CG 4.39Å; F267-L274 HydrophobicContact CE2-CD1 3.67Å; F267-L274 HydrophobicContact CG-CD1 3.63Å; F267-L274 HydrophobicContact CZ-CB 4.37Å; F267-L274 HydrophobicContact CZ-CD1 3.84Å; F267-L274 HydrophobicContact CZ-CD2 4.48Å; F267-L274 HydrophobicContact CZ-CG 4.47Å; L274-T276 HydrophobicContact CD2-CG2 3.81Å; L274-T276 HydrophobicContact CG-CG2 4.09Å; L274-V285 CarbonylContact O-C 3.49Å; L274-V285 WeakPolarHBondContact O-CA 3.22Å; L274-Y286 PolarHBondContact N-O 2.64Å; L274-Y286 PolarHBondContact O-N 2.8Å; L274-F288 HydrophobicContact CB-CE2 3.76Å; L274-F288 HydrophobicContact CB-CZ 4.32Å
275	A	96.4	Very high	92.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.1	169.7	0	0	0	0	0	109.4	S265 S266 I283 R284 V285 I309 F311 F318	S265-A275 CarbonylContact C-O 3.59Å; S265-A275 WeakPolarHBondContact CA-O 3.47Å; S266-A275 PolarHBondContact N-O 3.05Å; S266-A275 PolarHBondContact O-N 2.91Å; A275-I283 HydrophobicContact CB-CG2 4.2Å; A275-R284 CarbonylContact C-O 3.57Å; A275-R284 VanDerWaalsContact CA-O 3.27Å; A275-R284 WeakPolarHBondContact CA-O 3.33Å; A275-V285 HydrophobicContact CB-CG2 4.28Å; A275-I309 HydrophobicContact CB-CD1 4.41Å; A275-I309 HydrophobicContact CB-CG2 3.96Å; A275-F311 HydrophobicContact CB-CD2 4.41Å; A275-F311 HydrophobicContact CB-CE2 3.43Å; A275-F311 VanDerWaalsContact CB-CE2 3.43Å; A275-F311 HydrophobicContact CB-CZ 3.99Å; A275-F318 HydrophobicContact CB-CD1 4.47Å; A275-F318 HydrophobicContact CB-CD2 4.45Å; A275-F318 HydrophobicContact CB-CE1 4.27Å; A275-F318 HydrophobicContact CB-CE2 4.24Å; A275-F318 HydrophobicContact CB-CZ 4.15Å
276	T	96.2	Very high	92	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.4	-178.2	62.3	0	0	0	0	110.9	T227 I233 M262 C264 L274 I283 R284 Y286	T227-T276 HydrophobicContact CG2-CG2 4.23Å; I233-T276 HydrophobicContact CD1-CG2 3.63Å; I233-T276 VanDerWaalsContact CD1-OG1 3.25Å; I233-T276 WeakPolarHBondContact CD1-OG1 3.38Å; M262-T276 WeakPolarHBondContact CE-OG1 3.29Å; C264-T276 CarbonylContact O-C 3.54Å; C264-T276 VanDerWaalsContact O-CA 3.25Å; C264-T276 WeakPolarHBondContact O-CA 3.11Å; L274-T276 HydrophobicContact CD2-CG2 3.81Å; L274-T276 HydrophobicContact CG-CG2 4.09Å; T276-I283 WeakPolarHBondContact O-CA 3.32Å; T276-R284 PolarHBondContact N-O 2.98Å; T276-R284 PolarHBondContact O-N 3.13Å; T276-R284 PolarHBondContact OG1-O 3.38Å; T276-Y286 HydrophobicContact CG2-CD2 4.47Å; T276-Y286 HydrophobicContact CG2-CE2 4.25Å
277	G	94.6	Very high	91.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.5	-180	0	0	0	0	0	110.8	M262 I263 C264 V306	M262-G277 WeakPolarHBondContact CE-O 3.46Å; I263-G277 PolarHBondContact N-O 2.89Å; C264-G277 PolarHBondContact N-O 3.33Å; C264-G277 PolarHBondContact O-N 3.28Å; G277-V306 CarbonylContact C-O 3.45Å
278	S	93.7	Very high	91.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	168.8	-172.4	38.2	0	0	0	0	113	Q261 D280 H281 I282 R284 V306	Q261-S278 CarbonylContact O-C 3.6Å; Q261-S278 WeakPolarHBondContact O-CA 3.32Å; Q261-S278 WeakPolarHBondContact O-CB 3.32Å; S278-D280 WeakPolarHBondContact CB-OD1 3.31Å; S278-D280 PolarHBondContact O-N 2.76Å; S278-D280 PolarHBondContact OG-OD1 3.39Å; S278-H281 PolarHBondContact O-N 3.04Å; S278-I282 PolarHBondContact OG-O 3.46Å; S278-R284 PolarHBondContact OG-NH1 2.89Å; S278-V306 PolarHBondContact O-N 2.79Å
279	T	93.4	Very high	91.3	Very high	43 Å²	43	19.8 Å²	19.8	26%	0.264	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.5	176.4	54.8	0	0	0	0	113.4	G259 V260 Q261 I263 H281	G259-T279 PolarHBondContact O-OG1 3.13Å; V260-T279 WeakPolarHBondContact CA-OG1 3.47Å; Q261-T279 HydrophobicContact CB-CG2 3.83Å; Q261-T279 HydrophobicContact CG-CG2 4.28Å; Q261-T279 PolarHBondContact N-OG1 3.18Å; Q261-T279 PolarHBondContact O-N 3.1Å; I263-T279 HydrophobicContact CD1-CG2 3.72Å; I263-T279 HydrophobicContact CG1-CG2 4.05Å; T279-H281 PolarHBondContact O-N 2.87Å
280	D	90.8	Very high	90.8	Very high	17 Å²	17	20.4 Å²	20.4	9%	0.091	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	26.3	177.2	73.5	-14.6	0	0	0	113.1	V260 S278 I282 R284	V260-D280 HydrophobicContact CG1-CB 4.04Å; V260-D280 HydrophobicContact CG2-CB 4.03Å; S278-D280 WeakPolarHBondContact CB-OD1 3.31Å; S278-D280 PolarHBondContact O-N 2.76Å; S278-D280 PolarHBondContact OG-OD1 3.39Å; D280-I282 VanDerWaalsContact O-CG1 3.31Å; D280-I282 WeakPolarHBondContact O-CG1 3.44Å; D280-I282 PolarHBondContact O-N 3.17Å; D280-I282 PolarHBondContact OD1-N 2.94Å; D280-R284 IonicContact OD1-CZ 2.76Å; D280-R284 IonicContact OD1-NH1 3.91Å; D280-R284 PolarHBondContact OD1-NH1 2.66Å; D280-R284 IonicContact OD1-NH2 3.47Å; D280-R284 IonicContact OD2-CZ 3.55Å; D280-R284 IonicContact OD2-NH1 3.34Å; D280-R284 PolarHBondContact OD2-NH1 2.99Å; D280-R284 VanDerWaalsContact OD2-NH1 3.07Å; D280-R284 IonicContact OD2-NH2 3.57Å; D280-R284 PolarHBondContact OD2-NH2 3.48Å
281	H	91.1	Very high	90.7	Very high	60 Å²	60	20.7 Å²	20.7	28%	0.278	13%	0.132	S	C	.	.	S	Bend	trans	57.5	-3	176.3	60.5	-89.5	0	0	0	117.3	S278 T279 H302 D304	S278-H281 PolarHBondContact O-N 3.04Å; T279-H281 PolarHBondContact O-N 2.87Å; H281-H302 HydrophobicContact CB-CB 4.33Å; H281-H302 WeakPolarHBondContact CB-O 3.25Å; H281-H302 PolarHBondContact CD2-O 3.11Å; H281-D304 VanDerWaalsContact CA-O 3.31Å; H281-D304 WeakPolarHBondContact CA-O 3.3Å; H281-D304 WeakPolarHBondContact CB-O 3.47Å
282	I	92.7	Very high	90.6	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.036	16%	0.16	C	C	.	.			trans	-91.7	136.3	-177.2	-61	172.1	0	0	0	110	S278 D280 R284 E298 E300	S278-I282 PolarHBondContact OG-O 3.46Å; D280-I282 VanDerWaalsContact O-CG1 3.31Å; D280-I282 WeakPolarHBondContact O-CG1 3.44Å; D280-I282 PolarHBondContact O-N 3.17Å; D280-I282 PolarHBondContact OD1-N 2.94Å; I282-R284 HydrophobicContact CG2-CG 4.11Å; I282-E298 HydrophobicContact CG2-CB 3.91Å; I282-E298 HydrophobicContact CG2-CG 4.43Å; I282-E300 HydrophobicContact CD1-CG 4.14Å; I282-E300 VanDerWaalsContact CD1-OE1 3.24Å; I282-E300 WeakPolarHBondContact CD1-OE1 3.49Å; I282-E300 HydrophobicContact CG1-CB 4.42Å; I282-E300 HydrophobicContact CG1-CG 3.87Å; I282-E300 HydrophobicContact CG2-CG 4.38Å
283	I	94.9	Very high	90.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.8	167.5	-56.5	165.2	0	0	0	108.7	A275 T276 E298 L299 V306 I309 F318 S320 W330	A275-I283 HydrophobicContact CB-CG2 4.2Å; T276-I283 WeakPolarHBondContact O-CA 3.32Å; I283-E298 CarbonylContact O-C 3.58Å; I283-E298 WeakPolarHBondContact O-CA 3.27Å; I283-L299 HydrophobicContact CB-CB 4.12Å; I283-L299 HydrophobicContact CB-CD1 4.24Å; I283-L299 HydrophobicContact CG2-CD1 4.19Å; I283-L299 PolarHBondContact N-O 3.22Å; I283-L299 VanDerWaalsContact N-O 3.08Å; I283-L299 PolarHBondContact O-N 3.37Å; I283-V306 HydrophobicContact CD1-CG1 4.3Å; I283-V306 HydrophobicContact CD1-CG2 4.41Å; I283-V306 HydrophobicContact CG1-CB 4.38Å; I283-V306 HydrophobicContact CG1-CG1 4Å; I283-V306 HydrophobicContact CG1-CG2 3.9Å; I283-I309 HydrophobicContact CG1-CD1 4.24Å; I283-I309 HydrophobicContact CG2-CD1 3.73Å; I283-F318 HydrophobicContact CD1-CE2 4.25Å; I283-F318 HydrophobicContact CG2-CE2 3.98Å; I283-F318 HydrophobicContact CG2-CZ 4.01Å; I283-S320 VanDerWaalsContact CD1-OG 3.29Å; I283-S320 WeakPolarHBondContact CD1-OG 3.2Å; I283-W330 HydrophobicContact CD1-CZ2 3.74Å
284	R	94.4	Very high	90.9	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.7	179.6	-62.7	172	170.1	82.3	-4.2	109.7	E254 A275 T276 S278 D280 I282 Y286 E298	E254-R284 VanDerWaalsContact CD-CD 3.47Å; E254-R284 VanDerWaalsContact CG-NE 3.32Å; E254-R284 IonicContact OE1-NE 2.71Å; E254-R284 IonicContact OE2-CZ 2.86Å; E254-R284 IonicContact OE2-NE 3.44Å; E254-R284 PolarHBondContact OE2-NE 2.98Å; E254-R284 IonicContact OE2-NH2 2.71Å; E254-R284 PolarHBondContact OE2-NH2 3.43Å; A275-R284 CarbonylContact C-O 3.57Å; A275-R284 VanDerWaalsContact CA-O 3.27Å; A275-R284 WeakPolarHBondContact CA-O 3.33Å; T276-R284 PolarHBondContact N-O 2.98Å; T276-R284 PolarHBondContact O-N 3.13Å; T276-R284 PolarHBondContact OG1-O 3.38Å; S278-R284 PolarHBondContact OG-NH1 2.89Å; D280-R284 IonicContact OD1-CZ 2.76Å; D280-R284 IonicContact OD1-NH1 3.91Å; D280-R284 PolarHBondContact OD1-NH1 2.66Å; D280-R284 IonicContact OD1-NH2 3.47Å; D280-R284 IonicContact OD2-CZ 3.55Å; D280-R284 IonicContact OD2-NH1 3.34Å; D280-R284 PolarHBondContact OD2-NH1 2.99Å; D280-R284 VanDerWaalsContact OD2-NH1 3.07Å; D280-R284 IonicContact OD2-NH2 3.57Å; D280-R284 PolarHBondContact OD2-NH2 3.48Å; I282-R284 HydrophobicContact CG2-CG 4.11Å; R284-Y286 HydrophobicContact CB-CE2 3.88Å; R284-E298 HydrophobicContact CG-CG 4.37Å
285	V	95.6	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.5	179.1	-173	0	0	0	0	109.9	F273 L274 A275 I296 S297 L299 F318 W337	F273-V285 HydrophobicContact CB-CG1 4.39Å; F273-V285 HydrophobicContact CD1-CG1 4.15Å; L274-V285 CarbonylContact O-C 3.49Å; L274-V285 WeakPolarHBondContact O-CA 3.22Å; A275-V285 HydrophobicContact CB-CG2 4.28Å; V285-I296 HydrophobicContact CB-CG1 4.23Å; V285-I296 HydrophobicContact CG1-CD1 4.03Å; V285-I296 HydrophobicContact CG1-CG1 4.09Å; V285-I296 VanDerWaalsContact O-CG1 3.28Å; V285-I296 WeakPolarHBondContact O-CG1 3.34Å; V285-I296 PolarHBondContact O-N 3.15Å; V285-S297 PolarHBondContact N-O 2.77Å; V285-S297 PolarHBondContact O-N 3.41Å; V285-L299 HydrophobicContact CG2-CD1 3.89Å; V285-F318 HydrophobicContact CG2-CE1 4.39Å; V285-F318 HydrophobicContact CG2-CZ 4.41Å; V285-W337 HydrophobicContact CG1-CZ2 3.86Å
286	Y	95.1	Very high	90.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.6	176.5	-59.4	-93.4	0	0	0	110.2	I233 F235 F252 E254 F273 L274 T276 R284 E294 K295	I233-Y286 HydrophobicContact CD1-CE2 3.48Å; I233-Y286 VanDerWaalsContact CD1-CE2 3.48Å; I233-Y286 VanDerWaalsContact CD1-OH 3.27Å; I233-Y286 WeakPolarHBondContact CD1-OH 3.38Å; F235-Y286 AromaticContact CE2-CD1 3.74Å; F235-Y286 HydrophobicContact CE2-CD1 3.74Å; F235-Y286 HydrophobicContact CE2-CE1 4.09Å; F235-Y286 HydrophobicContact CE2-CG 4.1Å; F235-Y286 AromaticContact CZ-CD1 3.87Å; F235-Y286 HydrophobicContact CZ-CD1 3.87Å; F235-Y286 HydrophobicContact CZ-CD2 4.13Å; F235-Y286 HydrophobicContact CZ-CE1 4.41Å; F235-Y286 AromaticContact CZ-CG 3.72Å; F235-Y286 HydrophobicContact CZ-CG 3.72Å; F252-Y286 HydrophobicContact CB-CE1 4.12Å; F252-Y286 AromaticContact CD1-CE1 3.99Å; F252-Y286 HydrophobicContact CD1-CE1 3.99Å; F252-Y286 HydrophobicContact CD2-CD1 4.34Å; F252-Y286 AromaticContact CD2-CE1 3.85Å; F252-Y286 HydrophobicContact CD2-CE1 3.85Å; F252-Y286 HydrophobicContact CE1-CE1 4.39Å; F252-Y286 HydrophobicContact CE2-CD1 4.34Å; F252-Y286 HydrophobicContact CE2-CE1 4.26Å; F252-Y286 AromaticContact CG-CE1 3.7Å; F252-Y286 HydrophobicContact CG-CE1 3.7Å; E254-Y286 PolarHBondContact OE1-OH 3.01Å; F273-Y286 CarbonylContact C-O 3.59Å; F273-Y286 WeakPolarHBondContact CA-O 3.27Å; L274-Y286 PolarHBondContact N-O 2.64Å; L274-Y286 PolarHBondContact O-N 2.8Å; T276-Y286 HydrophobicContact CG2-CD2 4.47Å; T276-Y286 HydrophobicContact CG2-CE2 4.25Å; R284-Y286 HydrophobicContact CB-CE2 3.88Å; Y286-E294 CarbonylContact C-O 3.55Å; Y286-E294 WeakPolarHBondContact CA-O 3.45Å; Y286-K295 HydrophobicContact CD1-CB 3.97Å; Y286-K295 HydrophobicContact CE1-CB 3.76Å; Y286-K295 HydrophobicContact CE1-CD 4.29Å; Y286-K295 HydrophobicContact CE1-CG 4.16Å
287	F	92.8	Very high	90.4	Very high	56 Å²	56	35.8 Å²	35.8	25%	0.246	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.6	178.9	-178	-116.3	0	0	0	111	M272 F273 G289 P293 E294 I296	M272-F287 HydrophobicContact CE-CD2 4.42Å; M272-F287 HydrophobicContact CE-CE2 3.46Å; M272-F287 VanDerWaalsContact CE-CE2 3.46Å; M272-F287 HydrophobicContact CE-CZ 3.68Å; M272-F287 WeakPolarHBondContact O-CA 3.15Å; M272-F287 VanDerWaalsContact O-CD2 3.28Å; M272-F287 WeakPolarHBondContact O-CD2 3.39Å; F273-F287 HydrophobicContact CD1-CB 4.5Å; F273-F287 AromaticContact CD1-CD2 3.82Å; F273-F287 HydrophobicContact CD1-CD2 3.82Å; F273-F287 AromaticContact CE1-CD2 3.42Å; F273-F287 HydrophobicContact CE1-CD2 3.42Å; F273-F287 VanDerWaalsContact CE1-CD2 3.42Å; F273-F287 HydrophobicContact CE1-CE2 4Å; F273-F287 HydrophobicContact CE1-CG 4.38Å; F273-F287 HydrophobicContact CZ-CD2 4.05Å; F273-F287 HydrophobicContact CZ-CE2 4.17Å; F287-G289 VanDerWaalsContact CE1-CA 3.41Å; F287-G289 VanDerWaalsContact CE1-N 3.33Å; F287-G289 VanDerWaalsContact CZ-CA 3.43Å; F287-P293 WeakPolarHBondContact O-CA 3.4Å; F287-E294 PolarHBondContact N-O 3.3Å; F287-E294 PolarHBondContact O-N 2.68Å; F287-I296 HydrophobicContact CB-CB 4.49Å; F287-I296 HydrophobicContact CB-CD1 4.1Å; F287-I296 HydrophobicContact CB-CG1 4.28Å; F287-I296 HydrophobicContact CB-CG2 3.45Å; F287-I296 VanDerWaalsContact CB-CG2 3.45Å; F287-I296 HydrophobicContact CG-CG2 4.34Å
288	F	89.6	Confident	90.4	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	23%	0.225	C	C	.	.			trans	-118.9	4	-176.5	-67.2	-100.3	0	0	0	113.9	L216 Y223 F235 F267 M272 L274 S290 G291 P293	L216-F288 HydrophobicContact CD2-CB 3.65Å; Y223-F288 AromaticContact CD2-CD1 3.91Å; Y223-F288 HydrophobicContact CD2-CD1 3.91Å; Y223-F288 HydrophobicContact CD2-CE1 4.14Å; Y223-F288 HydrophobicContact CE2-CD1 4.27Å; Y223-F288 HydrophobicContact CG-CD1 4.27Å; Y223-F288 HydrophobicContact CG-CE1 4.02Å; F235-F288 AromaticContact CD1-CE1 3.98Å; F235-F288 HydrophobicContact CD1-CE1 3.98Å; F235-F288 AromaticContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CE1-CE1 4.12Å; F235-F288 HydrophobicContact CE1-CE2 4.4Å; F235-F288 AromaticContact CE1-CZ 3.43Å; F235-F288 HydrophobicContact CE1-CZ 3.43Å; F235-F288 VanDerWaalsContact CE1-CZ 3.43Å; F235-F288 HydrophobicContact CZ-CZ 4.07Å; F267-F288 HydrophobicContact CD1-CE2 4.44Å; F267-F288 HydrophobicContact CE1-CD2 4.29Å; F267-F288 HydrophobicContact CE1-CE1 4.35Å; F267-F288 AromaticContact CE1-CE2 3.6Å; F267-F288 HydrophobicContact CE1-CE2 3.6Å; F267-F288 AromaticContact CE1-CZ 3.61Å; F267-F288 HydrophobicContact CE1-CZ 3.61Å; F267-F288 HydrophobicContact CZ-CE2 4.41Å; F267-F288 AromaticContact CZ-CZ 4Å; F267-F288 HydrophobicContact CZ-CZ 4Å; M272-F288 PolarHBondContact O-N 3.26Å; L274-F288 HydrophobicContact CB-CE2 3.76Å; L274-F288 HydrophobicContact CB-CZ 4.32Å; F288-S290 VanDerWaalsContact C-N 3.33Å; F288-S290 PolarHBondContact O-N 3.39Å; F288-G291 PolarHBondContact O-N 3.38Å; F288-P293 HydrophobicContact CD1-CB 4.11Å; F288-P293 HydrophobicContact CE1-CB 3.75Å; F288-P293 HydrophobicContact CZ-CB 4.14Å
289	G	79.6	Confident	90.3	Very high	42 Å²	42	40.4 Å²	40.4	43%	0.433	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17	-172.1	0	0	0	0	0	115.7	M272 F287 G291	M272-G289 VanDerWaalsContact CE-CA 3.45Å; F287-G289 VanDerWaalsContact CE1-CA 3.41Å; F287-G289 VanDerWaalsContact CE1-N 3.33Å; F287-G289 VanDerWaalsContact CZ-CA 3.43Å; G289-G291 VanDerWaalsContact C-N 3.31Å
290	S	73.5	Confident	90.2	Very high	66 Å²	66	44.2 Å²	44.2	46%	0.462	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.3	176.6	53.8	0	0	0	0	113.4	F288 Q292 E294	F288-S290 VanDerWaalsContact C-N 3.33Å; F288-S290 PolarHBondContact O-N 3.39Å; S290-Q292 VanDerWaalsContact C-N 3.34Å; S290-Q292 PolarHBondContact OG-O 2.83Å; S290-E294 WeakPolarHBondContact CB-OE1 3.38Å; S290-E294 VanDerWaalsContact OG-CD 3.27Å; S290-E294 PolarHBondContact OG-OE1 2.92Å
291	G	76.9	Confident	90.1	Very high	50 Å²	50	48.1 Å²	48.1	52%	0.515	26%	0.259	S	S	.	.	S	Bend	trans	90.7	-12.1	-178	0	0	0	0	0	114.5	Y223 F288 G289	Y223-G291 PolarHBondContact OH-O 2.75Å; F288-G291 PolarHBondContact O-N 3.38Å; G289-G291 VanDerWaalsContact C-N 3.31Å
292	Q	85.9	Confident	90.1	Very high	128 Å²	128	45.4 Å²	45.4	60%	0.598	25%	0.246	S	C	*	.	S	Bend	trans	-125.5	152.6	166.3	-68.9	-166.8	6.7	0	0	110.3	S290 E294	S290-Q292 VanDerWaalsContact C-N 3.34Å; S290-Q292 PolarHBondContact OG-O 2.83Å; Q292-E294 PolarHBondContact O-N 2.95Å
293	P	92.5	Very high	90	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.026	28%	0.278	C	S	.	.			trans	-69.4	126.7	175	26.8	-32	0	0	0	110.2	Y223 F235 T250 F252 F287 F288	Y223-P293 HydrophobicContact CE1-CG 4.3Å; F235-P293 HydrophobicContact CB-CB 4.39Å; F235-P293 HydrophobicContact CB-CG 3.76Å; F235-P293 HydrophobicContact CD1-CB 4.31Å; F235-P293 HydrophobicContact CD2-CB 3.55Å; F235-P293 HydrophobicContact CD2-CG 3.57Å; F235-P293 HydrophobicContact CE2-CB 3.79Å; F235-P293 HydrophobicContact CE2-CG 4.31Å; F235-P293 HydrophobicContact CG-CB 3.82Å; F235-P293 HydrophobicContact CG-CG 3.71Å; F235-P293 HydrophobicContact CZ-CB 4.28Å; T250-P293 HydrophobicContact CG2-CG 4.21Å; F252-P293 HydrophobicContact CE2-CB 4.42Å; F252-P293 HydrophobicContact CE2-CG 4.43Å; F252-P293 VanDerWaalsContact CZ-O 3.29Å; F252-P293 WeakPolarHBondContact CZ-O 3.34Å; F287-P293 WeakPolarHBondContact O-CA 3.4Å; F288-P293 HydrophobicContact CD1-CB 4.11Å; F288-P293 HydrophobicContact CE1-CB 3.75Å; F288-P293 HydrophobicContact CZ-CB 4.14Å
294	E	93.5	Very high	89.9	Confident	93 Å²	93	53.8 Å²	53.8	44%	0.435	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.4	178	-72.2	171.4	-155.6	0	0	110.2	Y286 F287 S290 Q292 I296	Y286-E294 CarbonylContact C-O 3.55Å; Y286-E294 WeakPolarHBondContact CA-O 3.45Å; F287-E294 PolarHBondContact N-O 3.3Å; F287-E294 PolarHBondContact O-N 2.68Å; S290-E294 WeakPolarHBondContact CB-OE1 3.38Å; S290-E294 VanDerWaalsContact OG-CD 3.27Å; S290-E294 PolarHBondContact OG-OE1 2.92Å; Q292-E294 PolarHBondContact O-N 2.95Å; E294-I296 PolarHBondContact O-N 2.73Å
295	K	93.6	Very high	89.8	Confident	77 Å²	77	56.6 Å²	56.6	34%	0.335	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.5	171.5	-176.1	165.7	63.6	172.4	0	109	F252 E254 Y286 E298	F252-K295 HydrophobicContact CD1-CB 4.47Å; F252-K295 HydrophobicContact CE1-CB 4.3Å; E254-K295 IonicContact OE1-NZ 3.24Å; E254-K295 PolarHBondContact OE1-NZ 3.49Å; E254-K295 IonicContact OE2-NZ 3.98Å; E254-K295 PolarHBondContact OE2-NZ 2.89Å; Y286-K295 HydrophobicContact CD1-CB 3.97Å; Y286-K295 HydrophobicContact CE1-CB 3.76Å; Y286-K295 HydrophobicContact CE1-CD 4.29Å; Y286-K295 HydrophobicContact CE1-CG 4.16Å; K295-E298 HydrophobicContact CD-CG 4.38Å; K295-E298 WeakPolarHBondContact CE-OE1 3.43Å; K295-E298 IonicContact NZ-OE1 3.6Å; K295-E298 PolarHBondContact NZ-OE1 3.31Å
296	I	93.2	Very high	89.7	Confident	67 Å²	67	56.6 Å²	56.6	34%	0.344	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-21.8	-175.8	61.5	161.6	0	0	0	113.8	F273 V285 F287 E294	F273-I296 HydrophobicContact CD1-CD1 3.96Å; F273-I296 HydrophobicContact CE1-CD1 3.72Å; V285-I296 HydrophobicContact CB-CG1 4.23Å; V285-I296 HydrophobicContact CG1-CD1 4.03Å; V285-I296 HydrophobicContact CG1-CG1 4.09Å; V285-I296 VanDerWaalsContact O-CG1 3.28Å; V285-I296 WeakPolarHBondContact O-CG1 3.34Å; V285-I296 PolarHBondContact O-N 3.15Å; F287-I296 HydrophobicContact CB-CB 4.49Å; F287-I296 HydrophobicContact CB-CD1 4.1Å; F287-I296 HydrophobicContact CB-CG1 4.28Å; F287-I296 HydrophobicContact CB-CG2 3.45Å; F287-I296 VanDerWaalsContact CB-CG2 3.45Å; F287-I296 HydrophobicContact CG-CG2 4.34Å; E294-I296 PolarHBondContact O-N 2.73Å
297	S	91.3	Very high	89.6	Confident	30 Å²	30	59.9 Å²	59.9	21%	0.21	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	146.3	-174.3	-53.4	0	0	0	0	112.5	V285	V285-S297 PolarHBondContact N-O 2.77Å; V285-S297 PolarHBondContact O-N 3.41Å
298	E	93.6	Very high	89.7	Confident	86 Å²	86	59.9 Å²	59.9	40%	0.402	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.6	168.1	-64.9	-176.1	163.3	0	0	107.1	I282 I283 R284 K295	I282-E298 HydrophobicContact CG2-CB 3.91Å; I282-E298 HydrophobicContact CG2-CG 4.43Å; I283-E298 CarbonylContact O-C 3.58Å; I283-E298 WeakPolarHBondContact O-CA 3.27Å; R284-E298 HydrophobicContact CG-CG 4.37Å; K295-E298 HydrophobicContact CD-CG 4.38Å; K295-E298 WeakPolarHBondContact CE-OE1 3.43Å; K295-E298 IonicContact NZ-OE1 3.6Å; K295-E298 PolarHBondContact NZ-OE1 3.31Å
299	L	92.5	Very high	90	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.063	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	98	-172.5	-48.5	169.7	0	0	0	108.7	I283 V285 F301 F318 W330 W337	I283-L299 HydrophobicContact CB-CB 4.12Å; I283-L299 HydrophobicContact CB-CD1 4.24Å; I283-L299 HydrophobicContact CG2-CD1 4.19Å; I283-L299 PolarHBondContact N-O 3.22Å; I283-L299 VanDerWaalsContact N-O 3.08Å; I283-L299 PolarHBondContact O-N 3.37Å; V285-L299 HydrophobicContact CG2-CD1 3.89Å; L299-F301 PolarHBondContact O-N 3Å; L299-F318 HydrophobicContact CD1-CE1 4.5Å; L299-F318 HydrophobicContact CD1-CZ 3.79Å; L299-W330 HydrophobicContact CB-CH2 3.6Å; L299-W330 HydrophobicContact CB-CZ2 4.23Å; L299-W330 HydrophobicContact CB-CZ3 3.82Å; L299-W330 HydrophobicContact CD1-CD2 4.03Å; L299-W330 HydrophobicContact CD1-CE3 3.72Å; L299-W330 HydrophobicContact CD1-CH2 4.14Å; L299-W330 HydrophobicContact CD1-CZ2 4.47Å; L299-W330 HydrophobicContact CD1-CZ3 3.77Å; L299-W330 HydrophobicContact CD2-CE3 4.48Å; L299-W330 HydrophobicContact CD2-CZ3 4Å; L299-W330 HydrophobicContact CG-CE3 4.49Å; L299-W330 HydrophobicContact CG-CH2 4.33Å; L299-W330 HydrophobicContact CG-CZ3 4.07Å; L299-W337 HydrophobicContact CD1-CB 4.21Å; L299-W337 HydrophobicContact CD1-CG 4.24Å; L299-W337 HydrophobicContact CD2-CB 3.67Å; L299-W337 HydrophobicContact CD2-CG 4.16Å
300	E	91.6	Very high	90.7	Very high	122 Å²	122	63.3 Å²	63.3	57%	0.57	34%	0.337	S	S	*	.			trans	-98.6	67.6	-174.4	-42.1	-165.5	149.1	0	0	111	I282	I282-E300 HydrophobicContact CD1-CG 4.14Å; I282-E300 VanDerWaalsContact CD1-OE1 3.24Å; I282-E300 WeakPolarHBondContact CD1-OE1 3.49Å; I282-E300 HydrophobicContact CG1-CB 4.42Å; I282-E300 HydrophobicContact CG1-CG 3.87Å; I282-E300 HydrophobicContact CG2-CG 4.38Å
301	F	88.8	Confident	91.4	Very high	99 Å²	99	60.3 Å²	60.3	43%	0.434	32%	0.316	S	S	.	.			trans	-113	-27.9	-179.8	-73.6	-102.9	0	0	0	113.2	L299 R328 W330	L299-F301 PolarHBondContact O-N 3Å; F301-R328 PolarHBondContact O-NH1 3.25Å; F301-R328 PolarHBondContact O-NH2 2.63Å; F301-W330 HydrophobicContact CB-CH2 3.85Å; F301-W330 HydrophobicContact CB-CZ2 4.27Å; F301-W330 AromaticContact CD2-CH2 3.34Å; F301-W330 HydrophobicContact CD2-CH2 3.34Å; F301-W330 HydrophobicContact CD2-CZ2 4.47Å; F301-W330 AromaticContact CD2-CZ3 3.85Å; F301-W330 HydrophobicContact CD2-CZ3 3.85Å; F301-W330 AromaticContact CE2-CH2 3.96Å; F301-W330 HydrophobicContact CE2-CH2 3.96Å; F301-W330 AromaticContact CE2-CZ3 3.97Å; F301-W330 HydrophobicContact CE2-CZ3 3.97Å; F301-W330 AromaticContact CG-CH2 3.72Å; F301-W330 HydrophobicContact CG-CH2 3.72Å; F301-W330 HydrophobicContact CG-CZ3 4.45Å
302	H	91.1	Very high	91.9	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.019	30%	0.302	C	S	.	.			trans	-75.4	150.7	174.3	-74.5	-69.5	0	0	0	110.5	H281 V306 S320 S322 D324 T326 R328	H281-H302 HydrophobicContact CB-CB 4.33Å; H281-H302 WeakPolarHBondContact CB-O 3.25Å; H281-H302 PolarHBondContact CD2-O 3.11Å; H302-V306 HydrophobicContact CB-CG2 3.97Å; H302-S320 PolarHBondContact NE2-OG 2.61Å; H302-S322 VanDerWaalsContact CE1-CB 3.44Å; H302-S322 WeakPolarHBondContact CE1-CB 3.39Å; H302-S322 VanDerWaalsContact CG-CB 3.48Å; H302-S322 WeakPolarHBondContact ND1-CB 3.47Å; H302-D324 WeakPolarHBondContact CA-OD2 3.42Å; H302-D324 WeakPolarHBondContact CB-OD2 3.29Å; H302-D324 IonicContact CG-OD2 3.56Å; H302-D324 IonicContact ND1-OD1 3.22Å; H302-D324 IonicContact ND1-OD2 3.87Å; H302-D324 PolarHBondContact ND1-OD2 3.5Å; H302-T326 PolarHBondContact CE1-OG1 3.46Å; H302-T326 PolarHBondContact ND1-OG1 2.89Å; H302-R328 VanDerWaalsContact CA-NH1 3.33Å; H302-R328 PolarHBondContact CE1-NH1 2.98Å; H302-R328 VanDerWaalsContact CE1-NH1 3.32Å; H302-R328 VanDerWaalsContact CG-NH1 3.3Å; H302-R328 PolarHBondContact ND1-NH1 3.22Å
303	T	90.4	Very high	91.4	Very high	116 Å²	116	59.4 Å²	59.4	71%	0.712	31%	0.306	S	S	*	.	S	Bend	trans	-102.6	-8.6	-179.9	56.9	0	0	0	0	112.5	D324	T303-D324 PolarHBondContact N-OD2 3.4Å; T303-D324 VanDerWaalsContact N-OD2 3.08Å; T303-D324 WeakPolarHBondContact OG1-CB 3.26Å
304	D	91.7	Very high	90.1	Very high	67 Å²	67	63.7 Å²	63.7	36%	0.358	33%	0.332	S	S	.	.	S	Bend	trans	-141.2	177.3	177.1	-159.5	-10.4	0	0	0	109.3	H281 S322 R323 D324	H281-D304 VanDerWaalsContact CA-O 3.31Å; H281-D304 WeakPolarHBondContact CA-O 3.3Å; H281-D304 WeakPolarHBondContact CB-O 3.47Å; D304-S322 PolarHBondContact O-OG 2.8Å; D304-S322 VanDerWaalsContact O-OG 3.05Å; D304-R323 HydrophobicContact CB-CB 4.3Å; D304-D324 HydrophobicContact CB-CB 3.98Å
305	K	92.6	Very high	88.9	Confident	65 Å²	65	61 Å²	61	28%	0.283	32%	0.324	S	S	.	.			trans	-53.2	137.9	-173.9	64	170.3	-177.3	170.9	0	113.1	I263 S322 R323	I263-K305 HydrophobicContact CD1-CB 4.05Å; I263-K305 HydrophobicContact CD1-CD 4.09Å; K305-S322 VanDerWaalsContact O-CA 3.27Å; K305-S322 WeakPolarHBondContact O-CA 3.23Å; K305-S322 PolarHBondContact O-OG 3.48Å; K305-R323 HydrophobicContact CG-CB 3.78Å; K305-R323 PolarHBondContact O-N 3.14Å
306	V	94.6	Very high	88.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	106.7	174	-178.2	0	0	0	0	108.6	I263 G277 S278 I283 H302 I309 G321	I263-V306 WeakPolarHBondContact CD1-O 3.41Å; G277-V306 CarbonylContact C-O 3.45Å; S278-V306 PolarHBondContact O-N 2.79Å; I283-V306 HydrophobicContact CD1-CG1 4.3Å; I283-V306 HydrophobicContact CD1-CG2 4.41Å; I283-V306 HydrophobicContact CG1-CB 4.38Å; I283-V306 HydrophobicContact CG1-CG1 4Å; I283-V306 HydrophobicContact CG1-CG2 3.9Å; H302-V306 HydrophobicContact CB-CG2 3.97Å; V306-I309 HydrophobicContact CG1-CD1 4.08Å; V306-I309 HydrophobicContact CG1-CG1 3.88Å; V306-G321 WeakPolarHBondContact CA-O 3.44Å; V306-G321 WeakPolarHBondContact CG1-O 3.49Å
307	D	93.3	Very high	88.1	Confident	70 Å²	70	63.4 Å²	63.4	37%	0.374	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-19.9	-172.6	61.3	14.4	0	0	0	113.9	G321	D307-G321 PolarHBondContact N-O 2.86Å; D307-G321 VanDerWaalsContact N-O 3.15Å
308	S	93.3	Very high	88.2	Confident	55 Å²	55	62 Å²	62	39%	0.385	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.3	-171.6	51.5	0	0	0	0	111.1	S320 G321	S308-S320 CarbonylContact O-C 3.57Å; S308-S320 VanDerWaalsContact O-CA 3.29Å; S308-S320 WeakPolarHBondContact O-CA 3.43Å; S308-G321 PolarHBondContact O-N 3.02Å; S308-G321 WeakPolarHBondContact OG-CA 3.37Å; S308-G321 PolarHBondContact OG-N 2.78Å
309	I	95.6	Very high	88.2	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.3	175	-65.9	-176	0	0	0	108.9	S266 A275 I283 V306 F318 V319	S266-I309 WeakPolarHBondContact CB-O 3.3Å; A275-I309 HydrophobicContact CB-CD1 4.41Å; A275-I309 HydrophobicContact CB-CG2 3.96Å; I283-I309 HydrophobicContact CG1-CD1 4.24Å; I283-I309 HydrophobicContact CG2-CD1 3.73Å; V306-I309 HydrophobicContact CG1-CD1 4.08Å; V306-I309 HydrophobicContact CG1-CG1 3.88Å; I309-F318 HydrophobicContact CG2-CD2 3.94Å; I309-F318 HydrophobicContact CG2-CE2 4.48Å; I309-V319 VanDerWaalsContact CA-O 3.32Å; I309-V319 WeakPolarHBondContact CA-O 3.5Å
310	Q	94.4	Very high	88.4	Confident	102 Å²	102	60.2 Å²	60.2	48%	0.477	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	123.8	176.5	-158.6	-67.3	-37.1	0	0	111.1	F318 V319	Q310-F318 CarbonylContact O-C 3.6Å; Q310-F318 WeakPolarHBondContact O-CA 3.48Å; Q310-F318 VanDerWaalsContact O-CB 3.28Å; Q310-F318 WeakPolarHBondContact O-CB 3.44Å; Q310-V319 PolarHBondContact N-O 3.35Å; Q310-V319 PolarHBondContact O-N 2.95Å
311	F	89.5	Confident	88.5	Confident	2 Å²	2	55 Å²	55	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.1	173.3	-94.8	-87.8	0	0	0	114	S266 F267 F273 A275 N313 R317 F318 W337	S266-F311 WeakPolarHBondContact O-CD2 3.14Å; S266-F311 WeakPolarHBondContact O-CE2 3.49Å; S266-F311 PolarHBondContact OG-N 2.94Å; F267-F311 WeakPolarHBondContact O-CB 3.27Å; F273-F311 HydrophobicContact CB-CE1 4.35Å; F273-F311 HydrophobicContact CB-CZ 3.97Å; A275-F311 HydrophobicContact CB-CD2 4.41Å; A275-F311 HydrophobicContact CB-CE2 3.43Å; A275-F311 VanDerWaalsContact CB-CE2 3.43Å; A275-F311 HydrophobicContact CB-CZ 3.99Å; F311-N313 PolarHBondContact O-N 3.39Å; F311-R317 WeakPolarHBondContact CD1-O 3.49Å; F311-F318 HydrophobicContact CB-CB 4.31Å; F311-F318 HydrophobicContact CD1-CB 3.76Å; F311-F318 HydrophobicContact CD1-CD1 4.33Å; F311-F318 HydrophobicContact CD1-CG 4.49Å; F311-F318 HydrophobicContact CD2-CB 3.88Å; F311-F318 HydrophobicContact CD2-CG 4.44Å; F311-F318 HydrophobicContact CE1-CB 3.99Å; F311-F318 AromaticContact CE1-CD1 3.68Å; F311-F318 HydrophobicContact CE1-CD1 3.68Å; F311-F318 HydrophobicContact CE1-CG 4.24Å; F311-F318 HydrophobicContact CE2-CB 4.12Å; F311-F318 HydrophobicContact CE2-CD1 4.06Å; F311-F318 HydrophobicContact CE2-CG 4.2Å; F311-F318 HydrophobicContact CG-CB 3.71Å; F311-F318 HydrophobicContact CZ-CB 4.17Å; F311-F318 AromaticContact CZ-CD1 3.52Å; F311-F318 HydrophobicContact CZ-CD1 3.52Å; F311-F318 HydrophobicContact CZ-CE1 4.2Å; F311-F318 HydrophobicContact CZ-CG 4.09Å; F311-W337 AromaticContact CE1-CH2 3.93Å; F311-W337 HydrophobicContact CE1-CH2 3.93Å; F311-W337 HydrophobicContact CZ-CH2 4.15Å
312	S	86.4	Confident	88.8	Confident	33 Å²	33	50.7 Å²	50.7	23%	0.231	28%	0.28	C	S	.	.			trans	-57.3	135.6	171	-178.3	0	0	0	0	111.9	T314 S315 R317	S312-T314 PolarHBondContact O-N 3.36Å; S312-T314 PolarHBondContact OG-N 3.32Å; S312-S315 WeakPolarHBondContact CB-OG 3.08Å; S312-S315 PolarHBondContact OG-N 3.48Å; S312-S315 PolarHBondContact OG-OG 3.13Å; S312-S315 VanDerWaalsContact OG-OG 3.05Å; S312-R317 WeakPolarHBondContact CB-O 3.19Å; S312-R317 PolarHBondContact N-O 3.4Å
313	N	75.2	Confident	88.8	Confident	126 Å²	126	58.5 Å²	58.5	67%	0.674	31%	0.309	S	S	*	.	S	Bend	trans	-68.6	-11.4	177.3	-69.1	-19.8	0	0	0	114.4	A269 F311	A269-N313 VanDerWaalsContact CB-O 3.24Å; A269-N313 WeakPolarHBondContact CB-O 3.29Å; F311-N313 PolarHBondContact O-N 3.39Å
314	T	66.1	Low	88.8	Confident	94 Å²	94	54.9 Å²	54.9	58%	0.577	29%	0.285	S	S	*	.	S	Bend	trans	-131.1	-14.8	-170.9	59.2	0	0	0	0	114.7	S312	S312-T314 PolarHBondContact O-N 3.36Å; S312-T314 PolarHBondContact OG-N 3.32Å
315	S	68.4	Low	88.7	Confident	38 Å²	38	54.2 Å²	54.2	27%	0.266	29%	0.294	S	S	.	.	S	Bend	trans	-134.9	158.6	-173.5	66.8	0	0	0	0	110.8	S312 R317	S312-S315 WeakPolarHBondContact CB-OG 3.08Å; S312-S315 PolarHBondContact OG-N 3.48Å; S312-S315 PolarHBondContact OG-OG 3.13Å; S312-S315 VanDerWaalsContact OG-OG 3.05Å; S315-R317 PolarHBondContact O-N 3.26Å; S315-R317 WeakPolarHBondContact OG-CB 3.35Å; S315-R317 WeakPolarHBondContact OG-CG 3.38Å
316	N	79.6	Confident	88.6	Confident	89 Å²	89	52.8 Å²	52.8	48%	0.476	29%	0.291	S	S	.	.	S	Bend	trans	-76.9	61.6	173.1	-65.1	-17.1	0	0	0	110.2	F332	N316-F332 HydrophobicContact CB-CB 3.97Å; N316-F332 PolarHBondContact O-N 3.25Å
317	R	90.1	Very high	88.6	Confident	105 Å²	105	53.5 Å²	53.5	40%	0.396	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.8	-179.2	-57.8	-175.2	-179.6	178.8	2	109.6	F311 S312 S315 W330 Q331	F311-R317 WeakPolarHBondContact CD1-O 3.49Å; S312-R317 WeakPolarHBondContact CB-O 3.19Å; S312-R317 PolarHBondContact N-O 3.4Å; S315-R317 PolarHBondContact O-N 3.26Å; S315-R317 WeakPolarHBondContact OG-CB 3.35Å; S315-R317 WeakPolarHBondContact OG-CG 3.38Å; R317-W330 WeakPolarHBondContact CA-O 3.36Å; R317-W330 VanDerWaalsContact CB-O 3.22Å; R317-W330 WeakPolarHBondContact CB-O 3.23Å; R317-Q331 HydrophobicContact CG-CB 4.21Å; R317-Q331 HydrophobicContact CG-CG 3.89Å; R317-Q331 VanDerWaalsContact CZ-CD 3.47Å
318	F	93.1	Very high	88.6	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.8	169.4	67.2	-92.6	0	0	0	109.8	A275 I283 V285 L299 I309 Q310 F311 W330 W337	A275-F318 HydrophobicContact CB-CD1 4.47Å; A275-F318 HydrophobicContact CB-CD2 4.45Å; A275-F318 HydrophobicContact CB-CE1 4.27Å; A275-F318 HydrophobicContact CB-CE2 4.24Å; A275-F318 HydrophobicContact CB-CZ 4.15Å; I283-F318 HydrophobicContact CD1-CE2 4.25Å; I283-F318 HydrophobicContact CG2-CE2 3.98Å; I283-F318 HydrophobicContact CG2-CZ 4.01Å; V285-F318 HydrophobicContact CG2-CE1 4.39Å; V285-F318 HydrophobicContact CG2-CZ 4.41Å; L299-F318 HydrophobicContact CD1-CE1 4.5Å; L299-F318 HydrophobicContact CD1-CZ 3.79Å; I309-F318 HydrophobicContact CG2-CD2 3.94Å; I309-F318 HydrophobicContact CG2-CE2 4.48Å; Q310-F318 CarbonylContact O-C 3.6Å; Q310-F318 WeakPolarHBondContact O-CA 3.48Å; Q310-F318 VanDerWaalsContact O-CB 3.28Å; Q310-F318 WeakPolarHBondContact O-CB 3.44Å; F311-F318 HydrophobicContact CB-CB 4.31Å; F311-F318 HydrophobicContact CD1-CB 3.76Å; F311-F318 HydrophobicContact CD1-CD1 4.33Å; F311-F318 HydrophobicContact CD1-CG 4.49Å; F311-F318 HydrophobicContact CD2-CB 3.88Å; F311-F318 HydrophobicContact CD2-CG 4.44Å; F311-F318 HydrophobicContact CE1-CB 3.99Å; F311-F318 AromaticContact CE1-CD1 3.68Å; F311-F318 HydrophobicContact CE1-CD1 3.68Å; F311-F318 HydrophobicContact CE1-CG 4.24Å; F311-F318 HydrophobicContact CE2-CB 4.12Å; F311-F318 HydrophobicContact CE2-CD1 4.06Å; F311-F318 HydrophobicContact CE2-CG 4.2Å; F311-F318 HydrophobicContact CG-CB 3.71Å; F311-F318 HydrophobicContact CZ-CB 4.17Å; F311-F318 AromaticContact CZ-CD1 3.52Å; F311-F318 HydrophobicContact CZ-CD1 3.52Å; F311-F318 HydrophobicContact CZ-CE1 4.2Å; F311-F318 HydrophobicContact CZ-CG 4.09Å; F318-W330 HydrophobicContact CD1-CB 3.75Å; F318-W330 HydrophobicContact CD1-CG 4.4Å; F318-W330 HydrophobicContact CD2-CB 4.09Å; F318-W330 AromaticContact CD2-CD1 3.5Å; F318-W330 VanDerWaalsContact CD2-CD1 3.5Å; F318-W330 AromaticContact CD2-CG 3.99Å; F318-W330 HydrophobicContact CD2-CG 3.99Å; F318-W330 HydrophobicContact CE1-CB 3.47Å; F318-W330 VanDerWaalsContact CE1-CB 3.47Å; F318-W330 AromaticContact CE1-CG 3.88Å; F318-W330 HydrophobicContact CE1-CG 3.88Å; F318-W330 HydrophobicContact CE2-CB 3.84Å; F318-W330 AromaticContact CE2-CD1 3.06Å; F318-W330 HydrophobicContact CE2-CD2 4.21Å; F318-W330 AromaticContact CE2-CG 3.42Å; F318-W330 HydrophobicContact CE2-CG 3.42Å; F318-W330 VanDerWaalsContact CE2-CG 3.42Å; F318-W330 AromaticContact CE2-NE1 3.64Å; F318-W330 HydrophobicContact CG-CB 4.04Å; F318-W330 HydrophobicContact CG-CG 4.44Å; F318-W330 HydrophobicContact CZ-CB 3.51Å; F318-W330 AromaticContact CZ-CD1 3.54Å; F318-W330 AromaticContact CZ-CD2 3.96Å; F318-W330 HydrophobicContact CZ-CD2 3.96Å; F318-W330 AromaticContact CZ-CG 3.35Å; F318-W330 HydrophobicContact CZ-CG 3.35Å; F318-W330 PolarHBondContact N-O 3.3Å; F318-W330 PolarHBondContact O-N 2.94Å; F318-W337 HydrophobicContact CD1-CE3 4.15Å; F318-W337 AromaticContact CD1-CH2 3.78Å; F318-W337 HydrophobicContact CD1-CH2 3.78Å; F318-W337 AromaticContact CD1-CZ3 3.49Å; F318-W337 HydrophobicContact CD1-CZ3 3.49Å; F318-W337 VanDerWaalsContact CD1-CZ3 3.49Å; F318-W337 HydrophobicContact CE1-CD2 4.09Å; F318-W337 AromaticContact CE1-CE3 3.59Å; F318-W337 HydrophobicContact CE1-CE3 3.59Å; F318-W337 AromaticContact CE1-CH2 3.72Å; F318-W337 HydrophobicContact CE1-CH2 3.72Å; F318-W337 HydrophobicContact CE1-CZ2 4.21Å; F318-W337 AromaticContact CE1-CZ3 3.38Å; F318-W337 HydrophobicContact CE1-CZ3 3.38Å
319	V	94.6	Very high	88.6	Confident	59 Å²	59	51.4 Å²	51.4	36%	0.358	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.8	172.3	-177	0	0	0	0	108.1	I309 Q310 R328 I329	I309-V319 VanDerWaalsContact CA-O 3.32Å; I309-V319 WeakPolarHBondContact CA-O 3.5Å; Q310-V319 PolarHBondContact N-O 3.35Å; Q310-V319 PolarHBondContact O-N 2.95Å; V319-R328 CarbonylContact C-O 3.5Å; V319-R328 VanDerWaalsContact CA-O 3.3Å; V319-R328 WeakPolarHBondContact CA-O 3.5Å; V319-I329 HydrophobicContact CG2-CG1 4.25Å
320	S	95.6	Very high	88.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139	166	61.3	0	0	0	0	110.5	I283 H302 S308 A327 R328 W330	I283-S320 VanDerWaalsContact CD1-OG 3.29Å; I283-S320 WeakPolarHBondContact CD1-OG 3.2Å; H302-S320 PolarHBondContact NE2-OG 2.61Å; S308-S320 CarbonylContact O-C 3.57Å; S308-S320 VanDerWaalsContact O-CA 3.29Å; S308-S320 WeakPolarHBondContact O-CA 3.43Å; S320-A327 CarbonylContact O-C 3.49Å; S320-A327 WeakPolarHBondContact O-CA 3.19Å; S320-R328 PolarHBondContact N-O 3.24Å; S320-R328 PolarHBondContact O-N 3.2Å; S320-W330 PolarHBondContact OG-NE1 3.07Å
321	G	94.7	Very high	88.4	Confident	12 Å²	12	46.5 Å²	46.5	12%	0.124	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.5	168.3	0	0	0	0	0	110.3	V306 D307 S308	V306-G321 WeakPolarHBondContact CA-O 3.44Å; V306-G321 WeakPolarHBondContact CG1-O 3.49Å; D307-G321 PolarHBondContact N-O 2.86Å; D307-G321 VanDerWaalsContact N-O 3.15Å; S308-G321 PolarHBondContact O-N 3.02Å; S308-G321 WeakPolarHBondContact OG-CA 3.37Å; S308-G321 PolarHBondContact OG-N 2.78Å
322	S	94.4	Very high	88.3	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.7	-179.6	170.2	0	0	0	0	111.2	H302 D304 K305 D324 G325 T326	H302-S322 VanDerWaalsContact CE1-CB 3.44Å; H302-S322 WeakPolarHBondContact CE1-CB 3.39Å; H302-S322 VanDerWaalsContact CG-CB 3.48Å; H302-S322 WeakPolarHBondContact ND1-CB 3.47Å; D304-S322 PolarHBondContact O-OG 2.8Å; D304-S322 VanDerWaalsContact O-OG 3.05Å; K305-S322 VanDerWaalsContact O-CA 3.27Å; K305-S322 WeakPolarHBondContact O-CA 3.23Å; K305-S322 PolarHBondContact O-OG 3.48Å; S322-D324 VanDerWaalsContact CB-OD1 3.26Å; S322-D324 WeakPolarHBondContact CB-OD1 3.18Å; S322-D324 WeakPolarHBondContact CB-OD2 3.35Å; S322-D324 PolarHBondContact O-N 2.8Å; S322-D324 PolarHBondContact OG-N 3.33Å; S322-D324 PolarHBondContact OG-OD1 3.3Å; S322-D324 PolarHBondContact OG-OD2 3.23Å; S322-G325 PolarHBondContact O-N 2.7Å; S322-T326 PolarHBondContact N-O 2.99Å; S322-T326 VanDerWaalsContact N-O 3.13Å
323	R	92	Very high	88.3	Confident	168 Å²	168	52.5 Å²	52.5	63%	0.634	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-10.8	174.9	-168.7	165.7	-168.4	-179.4	10.1	113.5	D304 K305 G325	D304-R323 HydrophobicContact CB-CB 4.3Å; K305-R323 HydrophobicContact CG-CB 3.78Å; K305-R323 PolarHBondContact O-N 3.14Å; R323-G325 PolarHBondContact O-N 2.91Å
324	D	90.4	Very high	88.7	Confident	39 Å²	39	57.5 Å²	57.5	21%	0.209	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.2	170.2	63.5	23	0	0	0	113.7	H302 T303 D304 S322 T326	H302-D324 WeakPolarHBondContact CA-OD2 3.42Å; H302-D324 WeakPolarHBondContact CB-OD2 3.29Å; H302-D324 IonicContact CG-OD2 3.56Å; H302-D324 IonicContact ND1-OD1 3.22Å; H302-D324 IonicContact ND1-OD2 3.87Å; H302-D324 PolarHBondContact ND1-OD2 3.5Å; T303-D324 PolarHBondContact N-OD2 3.4Å; T303-D324 VanDerWaalsContact N-OD2 3.08Å; T303-D324 WeakPolarHBondContact OG1-CB 3.26Å; D304-D324 HydrophobicContact CB-CB 3.98Å; S322-D324 VanDerWaalsContact CB-OD1 3.26Å; S322-D324 WeakPolarHBondContact CB-OD1 3.18Å; S322-D324 WeakPolarHBondContact CB-OD2 3.35Å; S322-D324 PolarHBondContact O-N 2.8Å; S322-D324 PolarHBondContact OG-N 3.33Å; S322-D324 PolarHBondContact OG-OD1 3.3Å; S322-D324 PolarHBondContact OG-OD2 3.23Å; D324-T326 VanDerWaalsContact C-N 3.32Å; D324-T326 VanDerWaalsContact CG-OG1 3.28Å; D324-T326 WeakPolarHBondContact OD1-CA 3.2Å; D324-T326 VanDerWaalsContact OD1-CB 3.26Å; D324-T326 WeakPolarHBondContact OD1-CB 3.17Å; D324-T326 PolarHBondContact OD1-N 3.21Å; D324-T326 PolarHBondContact OD1-OG1 3.35Å; D324-T326 PolarHBondContact OD2-OG1 3.21Å
325	G	88.9	Confident	89.5	Confident	53 Å²	53	63.8 Å²	63.8	55%	0.546	30%	0.3	S	S	.	.	S	Bend	trans	85.1	5.5	180	0	0	0	0	0	113.5	S322 R323	S322-G325 PolarHBondContact O-N 2.7Å; R323-G325 PolarHBondContact O-N 2.91Å
326	T	91.2	Very high	90.4	Very high	36 Å²	36	67.8 Å²	67.8	22%	0.221	31%	0.314	C	S	.	.			trans	-110.9	152.3	-179	75.8	0	0	0	0	112.1	H302 S322 D324 L341	H302-T326 PolarHBondContact CE1-OG1 3.46Å; H302-T326 PolarHBondContact ND1-OG1 2.89Å; S322-T326 PolarHBondContact N-O 2.99Å; S322-T326 VanDerWaalsContact N-O 3.13Å; D324-T326 VanDerWaalsContact C-N 3.32Å; D324-T326 VanDerWaalsContact CG-OG1 3.28Å; D324-T326 WeakPolarHBondContact OD1-CA 3.2Å; D324-T326 VanDerWaalsContact OD1-CB 3.26Å; D324-T326 WeakPolarHBondContact OD1-CB 3.17Å; D324-T326 PolarHBondContact OD1-N 3.21Å; D324-T326 PolarHBondContact OD1-OG1 3.35Å; D324-T326 PolarHBondContact OD2-OG1 3.21Å; T326-L341 HydrophobicContact CG2-CD1 4.05Å
327	A	93.2	Very high	91	Very high	15 Å²	15	64.5 Å²	64.5	12%	0.124	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.9	163.2	0	0	0	0	0	109.5	S320 L342	S320-A327 CarbonylContact O-C 3.49Å; S320-A327 WeakPolarHBondContact O-CA 3.19Å; A327-L342 HydrophobicContact CB-CB 4.14Å; A327-L342 HydrophobicContact CB-CD1 3.96Å; A327-L342 WeakPolarHBondContact O-CA 3.34Å; A327-L342 VanDerWaalsContact O-CB 3.29Å; A327-L342 WeakPolarHBondContact O-CB 3.35Å; A327-L342 PolarHBondContact O-N 2.8Å
328	R	93.8	Very high	91	Very high	33 Å²	33	64.6 Å²	64.6	13%	0.125	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.4	177.5	-71.5	-175.2	169.3	99.9	-7.3	110.9	F301 H302 V319 S320 W330 I340 L341	F301-R328 PolarHBondContact O-NH1 3.25Å; F301-R328 PolarHBondContact O-NH2 2.63Å; H302-R328 VanDerWaalsContact CA-NH1 3.33Å; H302-R328 PolarHBondContact CE1-NH1 2.98Å; H302-R328 VanDerWaalsContact CE1-NH1 3.32Å; H302-R328 VanDerWaalsContact CG-NH1 3.3Å; H302-R328 PolarHBondContact ND1-NH1 3.22Å; V319-R328 CarbonylContact C-O 3.5Å; V319-R328 VanDerWaalsContact CA-O 3.3Å; V319-R328 WeakPolarHBondContact CA-O 3.5Å; S320-R328 PolarHBondContact N-O 3.24Å; S320-R328 PolarHBondContact O-N 3.2Å; R328-W330 HydrophobicContact CB-CZ2 4.27Å; R328-I340 CarbonylContact C-O 3.56Å; R328-I340 WeakPolarHBondContact CA-O 3.27Å; R328-L341 HydrophobicContact CG-CD1 4.01Å
329	I	93.8	Very high	91	Very high	47 Å²	47	66.4 Å²	66.4	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.1	168.6	-54.7	-178.2	0	0	0	108.3	V319 Q331 S339 I340 L342	V319-I329 HydrophobicContact CG2-CG1 4.25Å; I329-Q331 HydrophobicContact CG2-CG 4.43Å; I329-S339 CarbonylContact O-C 3.39Å; I329-S339 WeakPolarHBondContact O-CA 3.2Å; I329-I340 HydrophobicContact CB-CB 4.38Å; I329-I340 PolarHBondContact N-O 3.05Å; I329-I340 PolarHBondContact O-N 3.38Å; I329-L342 HydrophobicContact CD1-CD1 4.04Å; I329-L342 HydrophobicContact CD1-CD2 3.86Å; I329-L342 HydrophobicContact CD1-CG 4.24Å; I329-L342 HydrophobicContact CG1-CD1 3.7Å; I329-L342 HydrophobicContact CG1-CD2 4.13Å; I329-L342 HydrophobicContact CG1-CG 3.95Å
330	W	93.9	Very high	90.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.1	177.1	-59.7	89.2	0	0	0	109.9	I283 L299 F301 R317 F318 S320 R328 W337 K338	I283-W330 HydrophobicContact CD1-CZ2 3.74Å; L299-W330 HydrophobicContact CB-CH2 3.6Å; L299-W330 HydrophobicContact CB-CZ2 4.23Å; L299-W330 HydrophobicContact CB-CZ3 3.82Å; L299-W330 HydrophobicContact CD1-CD2 4.03Å; L299-W330 HydrophobicContact CD1-CE3 3.72Å; L299-W330 HydrophobicContact CD1-CH2 4.14Å; L299-W330 HydrophobicContact CD1-CZ2 4.47Å; L299-W330 HydrophobicContact CD1-CZ3 3.77Å; L299-W330 HydrophobicContact CD2-CE3 4.48Å; L299-W330 HydrophobicContact CD2-CZ3 4Å; L299-W330 HydrophobicContact CG-CE3 4.49Å; L299-W330 HydrophobicContact CG-CH2 4.33Å; L299-W330 HydrophobicContact CG-CZ3 4.07Å; F301-W330 HydrophobicContact CB-CH2 3.85Å; F301-W330 HydrophobicContact CB-CZ2 4.27Å; F301-W330 AromaticContact CD2-CH2 3.34Å; F301-W330 HydrophobicContact CD2-CH2 3.34Å; F301-W330 HydrophobicContact CD2-CZ2 4.47Å; F301-W330 AromaticContact CD2-CZ3 3.85Å; F301-W330 HydrophobicContact CD2-CZ3 3.85Å; F301-W330 AromaticContact CE2-CH2 3.96Å; F301-W330 HydrophobicContact CE2-CH2 3.96Å; F301-W330 AromaticContact CE2-CZ3 3.97Å; F301-W330 HydrophobicContact CE2-CZ3 3.97Å; F301-W330 AromaticContact CG-CH2 3.72Å; F301-W330 HydrophobicContact CG-CH2 3.72Å; F301-W330 HydrophobicContact CG-CZ3 4.45Å; R317-W330 WeakPolarHBondContact CA-O 3.36Å; R317-W330 VanDerWaalsContact CB-O 3.22Å; R317-W330 WeakPolarHBondContact CB-O 3.23Å; F318-W330 HydrophobicContact CD1-CB 3.75Å; F318-W330 HydrophobicContact CD1-CG 4.4Å; F318-W330 HydrophobicContact CD2-CB 4.09Å; F318-W330 AromaticContact CD2-CD1 3.5Å; F318-W330 VanDerWaalsContact CD2-CD1 3.5Å; F318-W330 AromaticContact CD2-CG 3.99Å; F318-W330 HydrophobicContact CD2-CG 3.99Å; F318-W330 HydrophobicContact CE1-CB 3.47Å; F318-W330 VanDerWaalsContact CE1-CB 3.47Å; F318-W330 AromaticContact CE1-CG 3.88Å; F318-W330 HydrophobicContact CE1-CG 3.88Å; F318-W330 HydrophobicContact CE2-CB 3.84Å; F318-W330 AromaticContact CE2-CD1 3.06Å; F318-W330 HydrophobicContact CE2-CD2 4.21Å; F318-W330 AromaticContact CE2-CG 3.42Å; F318-W330 HydrophobicContact CE2-CG 3.42Å; F318-W330 VanDerWaalsContact CE2-CG 3.42Å; F318-W330 AromaticContact CE2-NE1 3.64Å; F318-W330 HydrophobicContact CG-CB 4.04Å; F318-W330 HydrophobicContact CG-CG 4.44Å; F318-W330 HydrophobicContact CZ-CB 3.51Å; F318-W330 AromaticContact CZ-CD1 3.54Å; F318-W330 AromaticContact CZ-CD2 3.96Å; F318-W330 HydrophobicContact CZ-CD2 3.96Å; F318-W330 AromaticContact CZ-CG 3.35Å; F318-W330 HydrophobicContact CZ-CG 3.35Å; F318-W330 PolarHBondContact N-O 3.3Å; F318-W330 PolarHBondContact O-N 2.94Å; S320-W330 PolarHBondContact OG-NE1 3.07Å; R328-W330 HydrophobicContact CB-CZ2 4.27Å; W330-W337 HydrophobicContact CB-CE3 3.95Å; W330-W337 HydrophobicContact CB-CZ3 4.29Å; W330-W337 HydrophobicContact CE3-CB 4.25Å; W330-K338 CarbonylContact C-O 3.6Å; W330-K338 WeakPolarHBondContact CA-O 3.09Å
331	Q	91.8	Very high	90.6	Very high	17 Å²	17	71.8 Å²	71.8	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.3	175.3	-50.8	-170.4	9.7	0	0	109.7	R317 I329 K333 K338	R317-Q331 HydrophobicContact CG-CB 4.21Å; R317-Q331 HydrophobicContact CG-CG 3.89Å; R317-Q331 VanDerWaalsContact CZ-CD 3.47Å; I329-Q331 HydrophobicContact CG2-CG 4.43Å; Q331-K333 PolarHBondContact O-N 3.4Å; Q331-K338 PolarHBondContact N-O 2.77Å; Q331-K338 PolarHBondContact O-N 3.11Å
332	F	88.1	Confident	90.1	Very high	56 Å²	56	74.2 Å²	74.2	25%	0.246	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	111.6	172.3	-165.6	-115	0	0	0	109.6	F273 N316 E336 W337	F273-F332 HydrophobicContact CZ-CD1 4.18Å; F273-F332 AromaticContact CZ-CE1 3.94Å; F273-F332 HydrophobicContact CZ-CE1 3.94Å; F273-F332 HydrophobicContact CZ-CZ 4.2Å; N316-F332 HydrophobicContact CB-CB 3.97Å; N316-F332 PolarHBondContact O-N 3.25Å; F332-E336 WeakPolarHBondContact CA-O 3.46Å; F332-W337 HydrophobicContact CB-CD2 4.24Å; F332-W337 HydrophobicContact CB-CE3 3.92Å; F332-W337 HydrophobicContact CB-CH2 3.78Å; F332-W337 HydrophobicContact CB-CZ2 4.09Å; F332-W337 HydrophobicContact CB-CZ3 3.69Å; F332-W337 AromaticContact CD2-CD2 3.77Å; F332-W337 HydrophobicContact CD2-CD2 3.77Å; F332-W337 AromaticContact CD2-CE2 3.5Å; F332-W337 VanDerWaalsContact CD2-CE2 3.5Å; F332-W337 HydrophobicContact CD2-CE3 4.32Å; F332-W337 HydrophobicContact CD2-CG 4.1Å; F332-W337 HydrophobicContact CD2-CH2 4.4Å; F332-W337 AromaticContact CD2-CZ2 3.85Å; F332-W337 HydrophobicContact CD2-CZ2 3.85Å; F332-W337 AromaticContact CD2-NE1 3.66Å; F332-W337 AromaticContact CE2-NE1 3.93Å; F332-W337 HydrophobicContact CG-CD2 4.48Å; F332-W337 HydrophobicContact CG-CH2 4.37Å; F332-W337 HydrophobicContact CG-CZ2 4.19Å
333	K	86.4	Confident	89.1	Confident	105 Å²	105	77.4 Å²	77.4	46%	0.457	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134	178.7	-72.4	-177.3	-179.8	169.5	0	109.6	Q331 R335 E336	Q331-K333 PolarHBondContact O-N 3.4Å; K333-R335 VanDerWaalsContact C-N 3.26Å; K333-R335 PolarHBondContact O-N 3.02Å; K333-E336 PolarHBondContact N-O 3.01Å; K333-E336 PolarHBondContact O-N 2.79Å
334	R	83.3	Confident	88.1	Confident	231 Å²	231	76.4 Å²	76.4	87%	0.872	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.3	176.3	-57.9	-176.8	176.7	-177.9	-2	113.2	E336	R334-E336 PolarHBondContact O-N 2.92Å
335	R	81.8	Confident	87.1	Confident	225 Å²	225	78.3 Å²	78.3	85%	0.849	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	11.9	-177.9	-57	-179	172.2	-180	-3	115.8	K333	K333-R335 VanDerWaalsContact C-N 3.26Å; K333-R335 PolarHBondContact O-N 3.02Å
336	E	88.6	Confident	85.8	Confident	123 Å²	123	80.3 Å²	80.3	58%	0.575	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	154	176.7	-67.8	175.8	174	0	0	111.5	F332 K333 R334	F332-E336 WeakPolarHBondContact CA-O 3.46Å; K333-E336 PolarHBondContact N-O 3.01Å; K333-E336 PolarHBondContact O-N 2.79Å; R334-E336 PolarHBondContact O-N 2.92Å
337	W	90.8	Very high	84.1	Confident	20 Å²	20	86.9 Å²	86.9	8%	0.076	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.6	172	-71.5	102	0	0	0	110.1	F273 V285 L299 F311 F318 W330 F332	F273-W337 HydrophobicContact CD1-CZ2 4.36Å; F273-W337 HydrophobicContact CG-CZ2 4.37Å; V285-W337 HydrophobicContact CG1-CZ2 3.86Å; L299-W337 HydrophobicContact CD1-CB 4.21Å; L299-W337 HydrophobicContact CD1-CG 4.24Å; L299-W337 HydrophobicContact CD2-CB 3.67Å; L299-W337 HydrophobicContact CD2-CG 4.16Å; F311-W337 AromaticContact CE1-CH2 3.93Å; F311-W337 HydrophobicContact CE1-CH2 3.93Å; F311-W337 HydrophobicContact CZ-CH2 4.15Å; F318-W337 HydrophobicContact CD1-CE3 4.15Å; F318-W337 AromaticContact CD1-CH2 3.78Å; F318-W337 HydrophobicContact CD1-CH2 3.78Å; F318-W337 AromaticContact CD1-CZ3 3.49Å; F318-W337 HydrophobicContact CD1-CZ3 3.49Å; F318-W337 VanDerWaalsContact CD1-CZ3 3.49Å; F318-W337 HydrophobicContact CE1-CD2 4.09Å; F318-W337 AromaticContact CE1-CE3 3.59Å; F318-W337 HydrophobicContact CE1-CE3 3.59Å; F318-W337 AromaticContact CE1-CH2 3.72Å; F318-W337 HydrophobicContact CE1-CH2 3.72Å; F318-W337 HydrophobicContact CE1-CZ2 4.21Å; F318-W337 AromaticContact CE1-CZ3 3.38Å; F318-W337 HydrophobicContact CE1-CZ3 3.38Å; W330-W337 HydrophobicContact CB-CE3 3.95Å; W330-W337 HydrophobicContact CB-CZ3 4.29Å; W330-W337 HydrophobicContact CE3-CB 4.25Å; F332-W337 HydrophobicContact CB-CD2 4.24Å; F332-W337 HydrophobicContact CB-CE3 3.92Å; F332-W337 HydrophobicContact CB-CH2 3.78Å; F332-W337 HydrophobicContact CB-CZ2 4.09Å; F332-W337 HydrophobicContact CB-CZ3 3.69Å; F332-W337 AromaticContact CD2-CD2 3.77Å; F332-W337 HydrophobicContact CD2-CD2 3.77Å; F332-W337 AromaticContact CD2-CE2 3.5Å; F332-W337 VanDerWaalsContact CD2-CE2 3.5Å; F332-W337 HydrophobicContact CD2-CE3 4.32Å; F332-W337 HydrophobicContact CD2-CG 4.1Å; F332-W337 HydrophobicContact CD2-CH2 4.4Å; F332-W337 AromaticContact CD2-CZ2 3.85Å; F332-W337 HydrophobicContact CD2-CZ2 3.85Å; F332-W337 AromaticContact CD2-NE1 3.66Å; F332-W337 AromaticContact CE2-NE1 3.93Å; F332-W337 HydrophobicContact CG-CD2 4.48Å; F332-W337 HydrophobicContact CG-CH2 4.37Å; F332-W337 HydrophobicContact CG-CZ2 4.19Å
338	K	91.7	Very high	81.8	Confident	107 Å²	107	90.9 Å²	90.9	47%	0.465	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130	174.3	-63.4	-166.5	175.5	-162.4	0	110.1	W330 Q331	W330-K338 CarbonylContact C-O 3.6Å; W330-K338 WeakPolarHBondContact CA-O 3.09Å; Q331-K338 PolarHBondContact N-O 2.77Å; Q331-K338 PolarHBondContact O-N 3.11Å
339	S	92.5	Very high	79.1	Confident	38 Å²	38	94.8 Å²	94.8	27%	0.266	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	146.4	176	57.7	0	0	0	0	111.5	I329	I329-S339 CarbonylContact O-C 3.39Å; I329-S339 WeakPolarHBondContact O-CA 3.2Å
340	I	90.8	Very high	76.9	Confident	83 Å²	83	96.3 Å²	96.3	43%	0.426	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.9	164.7	-60.1	174.1	0	0	0	105.4	R328 I329	R328-I340 CarbonylContact C-O 3.56Å; R328-I340 WeakPolarHBondContact CA-O 3.27Å; I329-I340 HydrophobicContact CB-CB 4.38Å; I329-I340 PolarHBondContact N-O 3.05Å; I329-I340 PolarHBondContact O-N 3.38Å
341	L	90.9	Very high	74.4	Confident	90 Å²	90	102.1 Å²	102.1	47%	0.471	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.3	175.7	-177.1	65.3	0	0	0	109.6	T326 R328	T326-L341 HydrophobicContact CG2-CD1 4.05Å; R328-L341 HydrophobicContact CG-CD1 4.01Å
342	L	84.1	Confident	71.7	Confident	62 Å²	62	109.2 Å²	109.2	33%	0.325	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	98.9	165	-60.8	173.7	0	0	0	106.7	A327 I329 M344	A327-L342 HydrophobicContact CB-CB 4.14Å; A327-L342 HydrophobicContact CB-CD1 3.96Å; A327-L342 WeakPolarHBondContact O-CA 3.34Å; A327-L342 VanDerWaalsContact O-CB 3.29Å; A327-L342 WeakPolarHBondContact O-CB 3.35Å; A327-L342 PolarHBondContact O-N 2.8Å; I329-L342 HydrophobicContact CD1-CD1 4.04Å; I329-L342 HydrophobicContact CD1-CD2 3.86Å; I329-L342 HydrophobicContact CD1-CG 4.24Å; I329-L342 HydrophobicContact CG1-CD1 3.7Å; I329-L342 HydrophobicContact CG1-CD2 4.13Å; I329-L342 HydrophobicContact CG1-CG 3.95Å; L342-M344 PolarHBondContact O-N 3.19Å
343	D	72.7	Confident	69.5	Low	77 Å²	77	113 Å²	113	41%	0.412	59%	0.59	S	S	.	*			trans	-78.3	110.7	173.2	-177.7	-2.2	0	0	0	108.8	A345 T346	D343-A345 PolarHBondContact O-N 3.07Å; D343-A345 WeakPolarHBondContact OD1-CA 3.39Å; D343-A345 VanDerWaalsContact OD1-CB 3.28Å; D343-A345 WeakPolarHBondContact OD1-CB 3.42Å; D343-A345 PolarHBondContact OD1-N 3.39Å; D343-T346 HydrophobicContact CB-CG2 3.78Å; D343-T346 PolarHBondContact O-N 3.06Å; D343-T346 PolarHBondContact O-OG1 3.32Å
344	M	70.9	Confident	67.2	Low	148 Å²	148	117.1 Å²	117.1	73%	0.729	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-15.1	-179.6	-55.9	-59.9	-104.7	0	0	112.2	L342	L342-M344 PolarHBondContact O-N 3.19Å
345	A	69.9	Low	65.3	Low	78 Å²	78	109.8 Å²	109.8	65%	0.645	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-16.4	172	0	0	0	0	0	113	D343 R347	D343-A345 PolarHBondContact O-N 3.07Å; D343-A345 WeakPolarHBondContact OD1-CA 3.39Å; D343-A345 VanDerWaalsContact OD1-CB 3.28Å; D343-A345 WeakPolarHBondContact OD1-CB 3.42Å; D343-A345 PolarHBondContact OD1-N 3.39Å; A345-R347 PolarHBondContact O-N 2.89Å
346	T	61.9	Low	63.1	Low	96 Å²	96	106.2 Å²	106.2	59%	0.589	60%	0.603	S	S	*	*			trans	-70	93.5	176.7	50.2	0	0	0	0	111	D343	D343-T346 HydrophobicContact CB-CG2 3.78Å; D343-T346 PolarHBondContact O-N 3.06Å; D343-T346 PolarHBondContact O-OG1 3.32Å
347	R	54.8	Low	60.6	Low	174 Å²	174	108 Å²	108	66%	0.657	61%	0.612	S	S	*	*			trans	-69	135.5	166.7	-64.3	-177.8	-177.9	-173.4	0.1	108.4	A345 A349	A345-R347 PolarHBondContact O-N 2.89Å; R347-A349 PolarHBondContact O-N 3.07Å
348	P	46.1	Very low	57.9	Low	99 Å²	99	114.2 Å²	114.2	64%	0.643	65%	0.646	S	S	*	*			trans	-54.6	131.9	170.1	-8.3	15.7	0	0	0	108.5	G350	P348-G350 PolarHBondContact O-N 3.14Å
349	A	37.2	Very low	55.2	Low	114 Å²	114	117.7 Å²	117.7	94%	0.942	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	115.9	-178.7	0	0	0	0	0	110.2	R347	R347-A349 PolarHBondContact O-N 3.07Å
350	G	47.1	Very low	52.3	Low	80 Å²	80	127.1 Å²	127.1	83%	0.825	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.4	8.5	177.1	0	0	0	0	0	118	P348	P348-G350 PolarHBondContact O-N 3.14Å
351	Q	40.9	Very low	50.4	Low	122 Å²	122	129.3 Å²	129.3	57%	0.57	72%	0.72	S	S	*	*			trans	-118.2	81.1	171.9	-78.8	-176.3	-20.5	0	0	112.7	L353	Q351-L353 PolarHBondContact O-N 3.29Å
352	N	36.1	Very low	48.3	Very low	166 Å²	166	131.4 Å²	131.4	89%	0.888	73%	0.733	S	S	*	*			trans	-80.6	101.3	152.9	-82.4	-12.9	0	0	0	107.8
353	L	42	Very low	46.3	Very low	136 Å²	136	135.2 Å²	135.2	71%	0.712	76%	0.756	S	S	*	*			trans	-119.6	114.9	158.1	-78.4	161.9	0	0	0	106.5	Q351	Q351-L353 PolarHBondContact O-N 3.29Å
354	Q	37.5	Very low	44.7	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	78%	0.776	S	S	*	*			trans	-56.1	144.4	169.4	-79.5	171.9	-35	0	0	109.4
355	G	43.5	Very low	43.1	Very low	77 Å²	77	138.1 Å²	138.1	79%	0.794	78%	0.779	S	S	*	*			trans	-54.5	138.4	-166.2	0	0	0	0	0	114.4
356	I	34.3	Very low	41.3	Very low	150 Å²	150	142.1 Å²	142.1	77%	0.769	79%	0.788	S	S	*	*			trans	-120.4	110.4	150.2	-63.8	175.7	0	0	0	103.8	D358	I356-D358 PolarHBondContact O-N 2.72Å; I356-D358 VanDerWaalsContact O-N 3.13Å
357	E	36.6	Very low	39.8	Very low	161 Å²	161	145.4 Å²	145.4	75%	0.752	80%	0.802	S	S	*	*			trans	-63.4	103.8	168.8	-71.2	-178.6	160.3	0	0	108.1	K359	E357-K359 VanDerWaalsContact C-N 3.32Å; E357-K359 PolarHBondContact O-N 3.48Å; E357-K359 VanDerWaalsContact O-N 3.13Å
358	D	34.6	Very low	38.7	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	81%	0.814	S	S	*	*			trans	-76.9	92.6	159.3	-78.3	-20.9	0	0	0	107.2	I356 I360	I356-D358 PolarHBondContact O-N 2.72Å; I356-D358 VanDerWaalsContact O-N 3.13Å; D358-I360 PolarHBondContact O-N 2.92Å
359	K	33.9	Very low	38.1	Very low	181 Å²	181	146.8 Å²	146.8	79%	0.787	83%	0.828	S	S	*	*			trans	-67.6	114.6	162.2	-70.6	-176	178.5	179.8	0	107.7	E357	E357-K359 VanDerWaalsContact C-N 3.32Å; E357-K359 PolarHBondContact O-N 3.48Å; E357-K359 VanDerWaalsContact O-N 3.13Å
360	I	33.1	Very low	38.2	Very low	235 Å²	235	149.8 Å²	149.8	100%	1.205	82%	0.817	S	S	*	*			trans	-87.8	0	156.4	-64.2	176.1	0	0	0	107.6	D358	D358-I360 PolarHBondContact O-N 2.92Å

Retrieved 360 of 360 residues in 268.3 ms (Link to these results)

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