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Cytosolic Fe-S cluster assembly factor NUBP1 homolog

Component of the cytosolic iron-sulfur (Fe/S) protein assembly (CIA) machinery. Required for maturation of extramitochondrial Fe-S proteins. The NUBP1-NUBP2 heterotetramer forms a Fe-S scaffold complex, mediating the de novo assembly of an Fe-S cluster and its transfer to target apoproteins.

AlphaFold DB , UniProt , Accession A0A077ZL27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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	40.5	Very low	68.8	Low	238 Å²	238	122.1 Å²	122.1	100%	1.172	67%	0.668	S	S	*	*				0	77.3	0	-73	-177.2	-160.1	0	0	105.7	S3	M1-S3 PolarHBondContact O-N 3.26Å
2	D	42	Very low	70.2	Confident	162 Å²	162	124.6 Å²	124.6	87%	0.866	67%	0.672	S	S	*	*			trans	-75.4	100.7	-175.9	-70.1	-25.1	0	0	0	109.2
3	S	53.1	Low	71.6	Confident	72 Å²	72	117.2 Å²	117.2	50%	0.503	64%	0.635	S	S	.	*			trans	39.6	96	139.4	64.7	0	0	0	0	117.3	M1 I5	M1-S3 PolarHBondContact O-N 3.26Å; S3-I5 PolarHBondContact O-N 3.11Å
4	A	71.8	Confident	72.6	Confident	59 Å²	59	111 Å²	111	49%	0.488	60%	0.604	S	S	.	*			trans	-73.2	52	143.8	0	0	0	0	0	109.8	P6 T16	A4-P6 WeakPolarHBondContact O-CD 3.28Å; A4-T16 WeakPolarHBondContact CB-OG1 3.26Å; A4-T16 PolarHBondContact O-N 2.94Å; A4-T16 PolarHBondContact O-OG1 3.19Å
5	I	76.4	Confident	73.4	Confident	70 Å²	70	103.9 Å²	103.9	36%	0.359	57%	0.567	S	S	.	*			trans	-93	115	172.3	-64.8	170	0	0	0	105.4	S3 A9 C13 G15	S3-I5 PolarHBondContact O-N 3.11Å; I5-A9 HydrophobicContact CG2-CB 3.64Å; I5-C13 VanDerWaalsContact CD1-O 3.26Å; I5-C13 WeakPolarHBondContact CD1-O 3.36Å; I5-C13 HydrophobicContact CG2-CB 4.01Å; I5-G15 VanDerWaalsContact CG1-CA 3.42Å
6	P	73.9	Confident	73.9	Confident	68 Å²	68	99.8 Å²	99.8	44%	0.442	55%	0.546	S	S	.	.			trans	-57.5	146.8	176.4	-23.7	33.1	0	0	0	111.8	A4 N8 A9	A4-P6 WeakPolarHBondContact O-CD 3.28Å; P6-N8 PolarHBondContact O-N 3.08Å; P6-A9 HydrophobicContact CB-CB 4.44Å; P6-A9 WeakPolarHBondContact O-CB 3.49Å; P6-A9 PolarHBondContact O-N 2.98Å
7	E	76.9	Confident	73.9	Confident	196 Å²	196	96.9 Å²	96.9	92%	0.916	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.2	-179.4	-69.8	-179.3	166.3	0	0	113.7
8	N	78.4	Confident	74.4	Confident	159 Å²	159	97.3 Å²	97.3	85%	0.85	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	16.5	-179.2	-54.1	-33.2	0	0	0	113.3	P6	P6-N8 PolarHBondContact O-N 3.08Å
9	A	79.5	Confident	74.7	Confident	30 Å²	30	99.9 Å²	99.9	25%	0.248	55%	0.549	C	S	.	.	S	Bend	trans	-82	153.4	-179.1	0	0	0	0	0	111.9	I5 P6 C13	I5-A9 HydrophobicContact CG2-CB 3.64Å; P6-A9 HydrophobicContact CB-CB 4.44Å; P6-A9 WeakPolarHBondContact O-CB 3.49Å; P6-A9 PolarHBondContact O-N 2.98Å; A9-C13 HydrophobicContact CB-CB 3.78Å
10	P	80.2	Confident	75.3	Confident	85 Å²	85	96.8 Å²	96.8	55%	0.552	54%	0.535	S	S	*	.			trans	-57.8	149.9	169.8	-20.3	31.3	0	0	0	111.6	E12 C13	P10-E12 PolarHBondContact O-N 3.26Å; P10-E12 VanDerWaalsContact O-N 3.09Å; P10-C13 WeakPolarHBondContact O-CB 3.35Å; P10-C13 PolarHBondContact O-N 2.96Å
11	E	83.5	Confident	75.7	Confident	204 Å²	204	92.3 Å²	92.3	95%	0.953	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.7	-179	-69.1	-173.8	166.3	0	0	113.1	C13	E11-C13 VanDerWaalsContact C-N 3.31Å; E11-C13 PolarHBondContact O-N 3.08Å
12	E	86.6	Confident	78	Confident	152 Å²	152	81.1 Å²	81.1	71%	0.71	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	9.7	-179.6	-58	178	173.1	0	0	113.6	P10 P14 P26	P10-E12 PolarHBondContact O-N 3.26Å; P10-E12 VanDerWaalsContact O-N 3.09Å; E12-P14 WeakPolarHBondContact O-CD 3.18Å; E12-P26 HydrophobicContact CB-CB 3.94Å; E12-P26 HydrophobicContact CB-CG 3.55Å; E12-P26 WeakPolarHBondContact O-CG 3.26Å
13	C	87.8	Confident	80.1	Confident	28 Å²	28	81.7 Å²	81.7	19%	0.189	45%	0.446	C	S	.	.			trans	-62.6	124.2	-179.7	-177.9	0	0	0	0	111	I5 A9 P10 E11 G15	I5-C13 VanDerWaalsContact CD1-O 3.26Å; I5-C13 WeakPolarHBondContact CD1-O 3.36Å; I5-C13 HydrophobicContact CG2-CB 4.01Å; A9-C13 HydrophobicContact CB-CB 3.78Å; P10-C13 WeakPolarHBondContact O-CB 3.35Å; P10-C13 PolarHBondContact O-N 2.96Å; E11-C13 VanDerWaalsContact C-N 3.31Å; E11-C13 PolarHBondContact O-N 3.08Å; C13-G15 PolarHBondContact O-N 3.1Å; C13-G15 PolarHBondContact SG-N 3.4Å; C13-G15 VanDerWaalsContact SG-N 3.44Å
14	P	86.2	Confident	81.8	Confident	31 Å²	31	79.2 Å²	79.2	20%	0.201	43%	0.43	C	S	.	.			trans	-69.7	-13	178.4	29.8	-36.4	0	0	0	113.1	E12 H18 S20 A24	E12-P14 WeakPolarHBondContact O-CD 3.18Å; P14-H18 HydrophobicContact CB-CB 4.1Å; P14-H18 WeakPolarHBondContact O-CB 3.14Å; P14-S20 WeakPolarHBondContact CB-OG 3.32Å; P14-A24 HydrophobicContact CG-CB 4.13Å
15	G	83.9	Confident	82.6	Confident	5 Å²	5	80.1 Å²	80.1	5%	0.052	44%	0.438	C	S	.	.			trans	86.2	154.8	-174.8	0	0	0	0	0	113.5	I5 C13 G17 H18 A21	I5-G15 VanDerWaalsContact CG1-CA 3.42Å; C13-G15 PolarHBondContact O-N 3.1Å; C13-G15 PolarHBondContact SG-N 3.4Å; C13-G15 VanDerWaalsContact SG-N 3.44Å; G15-G17 VanDerWaalsContact C-N 3.27Å; G15-G17 PolarHBondContact O-N 3.26Å; G15-H18 PolarHBondContact O-N 2.9Å; G15-A21 WeakPolarHBondContact O-CB 3.47Å
16	T	80.8	Confident	83.2	Confident	38 Å²	38	78.9 Å²	78.9	23%	0.233	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.4	-172.9	61.3	0	0	0	0	114	A4 L41	A4-T16 WeakPolarHBondContact CB-OG1 3.26Å; A4-T16 PolarHBondContact O-N 2.94Å; A4-T16 PolarHBondContact O-OG1 3.19Å; T16-L41 HydrophobicContact CG2-CD1 4.05Å
17	G	74.5	Confident	83.8	Confident	51 Å²	51	76.2 Å²	76.2	53%	0.526	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-8	178.4	0	0	0	0	0	115.2	G15	G15-G17 VanDerWaalsContact C-N 3.27Å; G15-G17 PolarHBondContact O-N 3.26Å
18	H	82.8	Confident	84.3	Confident	104 Å²	104	74.2 Å²	74.2	48%	0.481	41%	0.407	S	S	.	.	S	Bend	trans	-79.3	152.4	-174.5	-165.4	-92.7	0	0	0	112.1	P14 G15 S20 A21	P14-H18 HydrophobicContact CB-CB 4.1Å; P14-H18 WeakPolarHBondContact O-CB 3.14Å; G15-H18 PolarHBondContact O-N 2.9Å; H18-S20 PolarHBondContact CE1-OG 3.18Å; H18-S20 PolarHBondContact ND1-N 2.92Å; H18-S20 PolarHBondContact ND1-OG 3.09Å; H18-S20 PolarHBondContact O-N 3.3Å; H18-A21 WeakPolarHBondContact O-CB 3.47Å; H18-A21 PolarHBondContact O-N 2.8Å
19	E	80.5	Confident	84.6	Confident	146 Å²	146	70.1 Å²	70.1	68%	0.682	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-28.4	-178.4	-61.5	-168.6	152.3	0	0	113.7
20	S	85.8	Confident	84.8	Confident	38 Å²	38	71.1 Å²	71.1	27%	0.266	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.2	176.9	67.8	0	0	0	0	114.1	P14 H18 G22 R23 A24	P14-S20 WeakPolarHBondContact CB-OG 3.32Å; H18-S20 PolarHBondContact CE1-OG 3.18Å; H18-S20 PolarHBondContact ND1-N 2.92Å; H18-S20 PolarHBondContact ND1-OG 3.09Å; H18-S20 PolarHBondContact O-N 3.3Å; S20-G22 PolarHBondContact O-N 3.45Å; S20-R23 CarbonylContact O-C 3.43Å; S20-R23 PolarHBondContact O-N 3.41Å; S20-A24 PolarHBondContact O-N 2.97Å
21	A	85.4	Confident	85	Confident	2 Å²	2	72.8 Å²	72.8	2%	0.017	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	127.1	-179.8	0	0	0	0	0	111.5	G15 H18 R23 C36	G15-A21 WeakPolarHBondContact O-CB 3.47Å; H18-A21 WeakPolarHBondContact O-CB 3.47Å; H18-A21 PolarHBondContact O-N 2.8Å; A21-R23 PolarHBondContact O-N 3.46Å; A21-C36 HydrophobicContact CB-CB 3.96Å; A21-C36 CarbonylContact O-C 3.29Å
22	G	87.1	Confident	84.9	Confident	4 Å²	4	67.1 Å²	67.1	4%	0.041	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-5.6	-176.2	0	0	0	0	0	115.3	S20 C27 Q33	S20-G22 PolarHBondContact O-N 3.45Å; G22-C27 PolarHBondContact N-SG 2.94Å; G22-Q33 WeakPolarHBondContact O-CG 3.22Å; G22-Q33 PolarHBondContact O-NE2 2.95Å
23	R	86.7	Confident	84.8	Confident	173 Å²	173	63.1 Å²	63.1	65%	0.653	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-20.7	-178.5	-59.4	-179.7	-173.1	-179.7	1.4	113.7	S20 A21	S20-R23 CarbonylContact O-C 3.43Å; S20-R23 PolarHBondContact O-N 3.41Å; A21-R23 PolarHBondContact O-N 3.46Å
24	A	88.8	Confident	84.5	Confident	21 Å²	21	65.6 Å²	65.6	17%	0.174	39%	0.394	C	S	.	.	S	Bend	trans	-70.5	159	177.7	0	0	0	0	0	112.2	P14 S20 P26 C27	P14-A24 HydrophobicContact CG-CB 4.13Å; S20-A24 PolarHBondContact O-N 2.97Å; A24-P26 VanDerWaalsContact C-CD 3.49Å; A24-C27 VanDerWaalsContact O-CB 3.28Å; A24-C27 WeakPolarHBondContact O-CB 3.34Å; A24-C27 PolarHBondContact O-N 3.29Å
25	A	89.2	Confident	84.1	Confident	78 Å²	78	67.7 Å²	67.7	65%	0.645	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-54.2	-42.4	177.2	0	0	0	0	0	113.6	C27 Q28	A25-C27 PolarHBondContact O-N 3.34Å; A25-C27 VanDerWaalsContact O-N 3.08Å; A25-Q28 WeakPolarHBondContact O-CB 3.49Å; A25-Q28 PolarHBondContact O-N 3.33Å; A25-Q28 VanDerWaalsContact O-N 3.11Å
26	P	88.3	Confident	84.1	Confident	43 Å²	43	68.1 Å²	68.1	28%	0.279	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-65	-13.4	176.9	-23.9	36.7	0	0	0	114.5	E12 A24	E12-P26 HydrophobicContact CB-CB 3.94Å; E12-P26 HydrophobicContact CB-CG 3.55Å; E12-P26 WeakPolarHBondContact O-CG 3.26Å; A24-P26 VanDerWaalsContact C-CD 3.49Å
27	C	87.9	Confident	84.2	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.081	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-84.1	-13.8	177.6	-61	0	0	0	0	113.1	G22 A24 A25 G29 C30 Q33	G22-C27 PolarHBondContact N-SG 2.94Å; A24-C27 VanDerWaalsContact O-CB 3.28Å; A24-C27 WeakPolarHBondContact O-CB 3.34Å; A24-C27 PolarHBondContact O-N 3.29Å; A25-C27 PolarHBondContact O-N 3.34Å; A25-C27 VanDerWaalsContact O-N 3.08Å; C27-G29 PolarHBondContact O-N 2.83Å; C27-C30 VanDerWaalsContact O-CB 3.26Å; C27-C30 WeakPolarHBondContact O-CB 3.25Å; C27-C30 PolarHBondContact O-N 3.19Å; C27-C30 VanDerWaalsContact O-N 3.1Å; C27-Q33 HydrophobicContact CB-CG 4.25Å; C27-Q33 WeakPolarHBondContact O-CB 3.34Å; C27-Q33 WeakPolarHBondContact O-CG 3.16Å; C27-Q33 PolarHBondContact O-OE1 3.04Å
28	Q	86.5	Confident	84.3	Confident	154 Å²	154	68.2 Å²	68.2	72%	0.72	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	121.2	-178.6	-68.5	-173.3	-7.3	0	0	110.6	A25 C30	A25-Q28 WeakPolarHBondContact O-CB 3.49Å; A25-Q28 PolarHBondContact O-N 3.33Å; A25-Q28 VanDerWaalsContact O-N 3.11Å; Q28-C30 VanDerWaalsContact C-N 3.3Å
29	G	83.9	Confident	83.3	Confident	73 Å²	73	68 Å²	68	75%	0.753	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-0.4	-177.3	0	0	0	0	0	114.7	C27	C27-G29 PolarHBondContact O-N 2.83Å
30	C	84.9	Confident	82.2	Confident	51 Å²	51	68.2 Å²	68.2	35%	0.345	40%	0.395	S	S	.	.			trans	-68.2	131.8	173.4	175.8	0	0	0	0	110.6	C27 Q28 N32 Q33	C27-C30 VanDerWaalsContact O-CB 3.26Å; C27-C30 WeakPolarHBondContact O-CB 3.25Å; C27-C30 PolarHBondContact O-N 3.19Å; C27-C30 VanDerWaalsContact O-N 3.1Å; Q28-C30 VanDerWaalsContact C-N 3.3Å; C30-N32 PolarHBondContact O-N 3.28Å; C30-N32 VanDerWaalsContact O-N 3.08Å; C30-N32 PolarHBondContact SG-N 3.47Å; C30-Q33 HydrophobicContact CB-CB 4.28Å; C30-Q33 WeakPolarHBondContact O-CB 3.17Å; C30-Q33 PolarHBondContact O-N 2.85Å
31	P	83	Confident	80.7	Confident	120 Å²	120	70.5 Å²	70.5	78%	0.779	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28	176.9	-26.9	34.5	0	0	0	114.3
32	N	82.4	Confident	78.9	Confident	86 Å²	86	72.6 Å²	72.6	46%	0.46	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.2	179.9	-63.5	-39.5	0	0	0	113.5	C30 S34 L35 C36	C30-N32 PolarHBondContact O-N 3.28Å; C30-N32 VanDerWaalsContact O-N 3.08Å; C30-N32 PolarHBondContact SG-N 3.47Å; N32-S34 VanDerWaalsContact C-N 3.34Å; N32-S34 PolarHBondContact O-N 3.41Å; N32-L35 PolarHBondContact O-N 3.28Å; N32-C36 PolarHBondContact O-N 3.15Å
33	Q	84.8	Confident	77.1	Confident	67 Å²	67	74.2 Å²	74.2	31%	0.313	44%	0.438	S	S	.	.	H	α-helix	trans	-55.7	-46.8	-175.1	-176.1	-179.5	10.2	0	0	112.3	G22 C27 C30 C36 S37	G22-Q33 WeakPolarHBondContact O-CG 3.22Å; G22-Q33 PolarHBondContact O-NE2 2.95Å; C27-Q33 HydrophobicContact CB-CG 4.25Å; C27-Q33 WeakPolarHBondContact O-CB 3.34Å; C27-Q33 WeakPolarHBondContact O-CG 3.16Å; C27-Q33 PolarHBondContact O-OE1 3.04Å; C30-Q33 HydrophobicContact CB-CB 4.28Å; C30-Q33 WeakPolarHBondContact O-CB 3.17Å; C30-Q33 PolarHBondContact O-N 2.85Å; Q33-C36 PolarHBondContact O-N 3.44Å; Q33-S37 VanDerWaalsContact O-CB 3.25Å; Q33-S37 WeakPolarHBondContact O-CB 3.26Å; Q33-S37 PolarHBondContact O-N 3.05Å; Q33-S37 PolarHBondContact O-OG 2.68Å
34	S	81.9	Confident	75.5	Confident	81 Å²	81	71.9 Å²	71.9	57%	0.566	45%	0.445	S	S	*	.	H	α-helix	trans	-60.7	-49.3	179.7	53.9	0	0	0	0	111.8	N32 C36 S37 S38	N32-S34 VanDerWaalsContact C-N 3.34Å; N32-S34 PolarHBondContact O-N 3.41Å; S34-C36 PolarHBondContact O-N 3.31Å; S34-S37 WeakPolarHBondContact CA-OG 3.32Å; S34-S37 PolarHBondContact O-N 3.23Å; S34-S37 PolarHBondContact O-OG 3.26Å; S34-S38 WeakPolarHBondContact O-CB 3.04Å; S34-S38 PolarHBondContact O-N 2.98Å
35	L	77.3	Confident	74.5	Confident	74 Å²	74	73.7 Å²	73.7	39%	0.387	45%	0.452	S	S	.	.	H	α-helix	trans	-56.9	-48	175.8	-95.4	134.6	0	0	0	112.3	N32 S38 L41	N32-L35 PolarHBondContact O-N 3.28Å; L35-S38 PolarHBondContact O-OG 3.16Å; L35-L41 HydrophobicContact CB-CD1 4.19Å; L35-L41 HydrophobicContact CD2-CD2 4.33Å; L35-L41 HydrophobicContact CD2-CG 4.41Å
36	C	83.2	Confident	73.7	Confident	15 Å²	15	74.8 Å²	74.8	10%	0.101	45%	0.45	C	S	.	.	H	α-helix	trans	-64.9	-44.6	176.7	-70.2	0	0	0	0	112.2	A21 N32 Q33 S34 S38 R39	A21-C36 HydrophobicContact CB-CB 3.96Å; A21-C36 CarbonylContact O-C 3.29Å; N32-C36 PolarHBondContact O-N 3.15Å; Q33-C36 PolarHBondContact O-N 3.44Å; S34-C36 PolarHBondContact O-N 3.31Å; C36-S38 VanDerWaalsContact C-N 3.27Å; C36-S38 PolarHBondContact O-N 3Å; C36-R39 PolarHBondContact O-N 3.35Å; C36-R39 VanDerWaalsContact O-N 3.15Å
37	S	83.4	Confident	73.4	Confident	39 Å²	39	73.7 Å²	73.7	27%	0.273	44%	0.444	S	S	.	.	H	α-helix	trans	-66	-30.4	-177.8	72	0	0	0	0	113	Q33 S34 R39	Q33-S37 VanDerWaalsContact O-CB 3.25Å; Q33-S37 WeakPolarHBondContact O-CB 3.26Å; Q33-S37 PolarHBondContact O-N 3.05Å; Q33-S37 PolarHBondContact O-OG 2.68Å; S34-S37 WeakPolarHBondContact CA-OG 3.32Å; S34-S37 PolarHBondContact O-N 3.23Å; S34-S37 PolarHBondContact O-OG 3.26Å; S37-R39 PolarHBondContact O-N 3.29Å
38	S	75.7	Confident	73.4	Confident	52 Å²	52	75.3 Å²	75.3	36%	0.364	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.1	177.6	76.5	0	0	0	0	113.6	S34 L35 C36 Q40	S34-S38 WeakPolarHBondContact O-CB 3.04Å; S34-S38 PolarHBondContact O-N 2.98Å; L35-S38 PolarHBondContact O-OG 3.16Å; C36-S38 VanDerWaalsContact C-N 3.27Å; C36-S38 PolarHBondContact O-N 3Å; S38-Q40 PolarHBondContact O-N 2.97Å; S38-Q40 VanDerWaalsContact OG-CB 3.32Å; S38-Q40 WeakPolarHBondContact OG-CB 3.5Å; S38-Q40 VanDerWaalsContact OG-CG 3.26Å; S38-Q40 WeakPolarHBondContact OG-CG 3.06Å; S38-Q40 PolarHBondContact OG-N 2.95Å
39	R	63.1	Low	73.7	Confident	100 Å²	100	71.7 Å²	71.7	38%	0.377	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	9.4	-172.2	-64.4	-86.7	-110.4	-176.8	-5.4	113.9	C36 S37 L41 A42 G43	C36-R39 PolarHBondContact O-N 3.35Å; C36-R39 VanDerWaalsContact O-N 3.15Å; S37-R39 PolarHBondContact O-N 3.29Å; R39-L41 PolarHBondContact O-N 3.26Å; R39-L41 VanDerWaalsContact O-N 3.16Å; R39-A42 PolarHBondContact O-N 2.93Å; R39-G43 PolarHBondContact O-N 3.03Å
40	Q	57.6	Low	74.1	Confident	149 Å²	149	72.3 Å²	72.3	70%	0.696	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.8	175.1	-73.8	176.4	-8.5	0	0	112.4	S38	S38-Q40 PolarHBondContact O-N 2.97Å; S38-Q40 VanDerWaalsContact OG-CB 3.32Å; S38-Q40 WeakPolarHBondContact OG-CB 3.5Å; S38-Q40 VanDerWaalsContact OG-CG 3.26Å; S38-Q40 WeakPolarHBondContact OG-CG 3.06Å; S38-Q40 PolarHBondContact OG-N 2.95Å
41	L	53	Low	74.6	Confident	86 Å²	86	69.9 Å²	69.9	45%	0.45	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.4	175.6	-65.9	171.9	0	0	0	114.1	T16 L35 R39	T16-L41 HydrophobicContact CG2-CD1 4.05Å; L35-L41 HydrophobicContact CB-CD1 4.19Å; L35-L41 HydrophobicContact CD2-CD2 4.33Å; L35-L41 HydrophobicContact CD2-CG 4.41Å; R39-L41 PolarHBondContact O-N 3.26Å; R39-L41 VanDerWaalsContact O-N 3.16Å
42	A	48.7	Very low	75.2	Confident	47 Å²	47	65.9 Å²	65.9	39%	0.388	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-9.2	-176.5	0	0	0	0	0	113.4	R39	R39-A42 PolarHBondContact O-N 2.93Å
43	G	48.6	Very low	75.8	Confident	38 Å²	38	68.8 Å²	68.8	39%	0.392	40%	0.399	S	S	.	.	S	Bend	trans	-68.2	156.3	172.2	0	0	0	0	0	111.4	R39 D45	R39-G43 PolarHBondContact O-N 3.03Å; G43-D45 PolarHBondContact O-N 3.28Å
44	P	53.3	Low	76.4	Confident	123 Å²	123	68.3 Å²	68.3	80%	0.799	39%	0.394	S	S	*	.			trans	-51.8	134.2	168.1	23.3	-31.3	0	0	0	108.1	V46	P44-V46 PolarHBondContact O-N 3.21Å
45	D	67	Low	77.1	Confident	59 Å²	59	64.5 Å²	64.5	32%	0.316	37%	0.367	S	S	.	.			trans	-54.7	103.7	-179.9	-179.4	0.9	0	0	0	108.4	G43 S47 L48 K160	G43-D45 PolarHBondContact O-N 3.28Å; D45-S47 PolarHBondContact O-N 2.79Å; D45-S47 WeakPolarHBondContact OD1-CB 3.4Å; D45-S47 PolarHBondContact OD1-N 2.89Å; D45-S47 VanDerWaalsContact OD1-N 3.07Å; D45-S47 PolarHBondContact OD1-OG 3.11Å; D45-L48 HydrophobicContact CB-CD1 4.12Å; D45-L48 HydrophobicContact CB-CG 4Å; D45-L48 WeakPolarHBondContact O-CB 3.44Å; D45-L48 PolarHBondContact O-N 3.08Å; D45-K160 IonicContact OD2-NZ 3.64Å; D45-K160 PolarHBondContact OD2-NZ 2.92Å
46	V	72.6	Confident	78	Confident	101 Å²	101	65.3 Å²	65.3	61%	0.612	38%	0.379	S	S	*	.	H	α-helix	trans	-55	-27.6	-177.2	179.6	0	0	0	0	110.1	P44 L48 S49 M50	P44-V46 PolarHBondContact O-N 3.21Å; V46-L48 VanDerWaalsContact C-N 3.25Å; V46-L48 PolarHBondContact O-N 3.34Å; V46-S49 PolarHBondContact O-N 2.9Å; V46-S49 PolarHBondContact O-OG 2.66Å; V46-M50 HydrophobicContact CG1-SD 4.4Å; V46-M50 WeakPolarHBondContact O-CG 3.35Å; V46-M50 PolarHBondContact O-N 2.95Å
47	S	81.7	Confident	78.6	Confident	21 Å²	21	66.4 Å²	66.4	15%	0.147	39%	0.387	C	S	.	.	H	α-helix	trans	-57.7	-36.3	173.7	-39.1	0	0	0	0	112.2	D45 S49 M50 I51	D45-S47 PolarHBondContact O-N 2.79Å; D45-S47 WeakPolarHBondContact OD1-CB 3.4Å; D45-S47 PolarHBondContact OD1-N 2.89Å; D45-S47 VanDerWaalsContact OD1-N 3.07Å; D45-S47 PolarHBondContact OD1-OG 3.11Å; S47-S49 PolarHBondContact O-N 3.12Å; S47-M50 PolarHBondContact O-N 3.38Å; S47-I51 WeakPolarHBondContact O-CB 3.31Å; S47-I51 WeakPolarHBondContact O-CG1 3.39Å; S47-I51 PolarHBondContact O-N 3.13Å
48	L	89.5	Confident	79.3	Confident	46 Å²	46	64.8 Å²	64.8	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-40	-178.8	-66.8	177.6	0	0	0	112.3	D45 V46 M50 I51 A52 K195 S196	D45-L48 HydrophobicContact CB-CD1 4.12Å; D45-L48 HydrophobicContact CB-CG 4Å; D45-L48 WeakPolarHBondContact O-CB 3.44Å; D45-L48 PolarHBondContact O-N 3.08Å; V46-L48 VanDerWaalsContact C-N 3.25Å; V46-L48 PolarHBondContact O-N 3.34Å; L48-M50 VanDerWaalsContact C-N 3.33Å; L48-I51 PolarHBondContact O-N 2.95Å; L48-A52 WeakPolarHBondContact O-CB 3.46Å; L48-A52 PolarHBondContact O-N 2.98Å; L48-K195 HydrophobicContact CD1-CB 4.49Å; L48-K195 HydrophobicContact CD1-CD 4.49Å; L48-K195 HydrophobicContact CD2-CB 4.43Å; L48-S196 WeakPolarHBondContact CA-OG 2.96Å; L48-S196 WeakPolarHBondContact CB-OG 3.49Å; L48-S196 WeakPolarHBondContact CD2-OG 3.49Å; L48-S196 WeakPolarHBondContact O-CB 3.28Å; L48-S196 PolarHBondContact O-OG 2.9Å
49	S	91.2	Very high	80.4	Confident	78 Å²	78	67.2 Å²	67.2	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-67.1	-35.8	174.2	49.3	0	0	0	0	112.4	V46 S47 A52 H53	V46-S49 PolarHBondContact O-N 2.9Å; V46-S49 PolarHBondContact O-OG 2.66Å; S47-S49 PolarHBondContact O-N 3.12Å; S49-A52 PolarHBondContact O-N 3.15Å; S49-H53 PolarHBondContact O-N 3.46Å
50	M	93.2	Very high	82.1	Confident	86 Å²	86	63.1 Å²	63.1	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-69.4	-40.8	176.1	-64.4	177.1	71.8	0	0	111.6	V46 S47 L48 H53 R54 K164	V46-M50 HydrophobicContact CG1-SD 4.4Å; V46-M50 WeakPolarHBondContact O-CG 3.35Å; V46-M50 PolarHBondContact O-N 2.95Å; S47-M50 PolarHBondContact O-N 3.38Å; L48-M50 VanDerWaalsContact C-N 3.33Å; M50-H53 PolarHBondContact O-N 3.36Å; M50-R54 WeakPolarHBondContact O-CB 3.47Å; M50-R54 PolarHBondContact O-N 3.5Å; M50-K164 HydrophobicContact CB-CB 4.23Å
51	I	95.6	Very high	84	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-47.3	173.6	-68.9	166.7	0	0	0	109.8	S47 L48 H53 R54 M55 K160 L163 K164 C192 T197	S47-I51 WeakPolarHBondContact O-CB 3.31Å; S47-I51 WeakPolarHBondContact O-CG1 3.39Å; S47-I51 PolarHBondContact O-N 3.13Å; L48-I51 PolarHBondContact O-N 2.95Å; I51-H53 VanDerWaalsContact C-N 3.31Å; I51-H53 PolarHBondContact O-N 2.65Å; I51-R54 PolarHBondContact O-N 3.24Å; I51-M55 HydrophobicContact CG2-CG 3.98Å; I51-M55 VanDerWaalsContact O-CB 3.24Å; I51-M55 WeakPolarHBondContact O-CB 3.46Å; I51-M55 WeakPolarHBondContact O-CG 3.47Å; I51-M55 PolarHBondContact O-N 2.77Å; I51-K160 HydrophobicContact CD1-CG 4.46Å; I51-L163 HydrophobicContact CD1-CB 4.07Å; I51-L163 HydrophobicContact CD1-CD1 4.25Å; I51-L163 HydrophobicContact CG1-CB 3.83Å; I51-L163 HydrophobicContact CG2-CB 4.03Å; I51-K164 HydrophobicContact CG1-CB 3.73Å; I51-C192 HydrophobicContact CD1-CB 4.12Å; I51-T197 HydrophobicContact CG2-CG2 4.36Å
52	A	95.9	Very high	86.2	Confident	36 Å²	36	52.7 Å²	52.7	30%	0.298	31%	0.313	S	S	.	.	H	α-helix	trans	-57.3	-46	178.6	0	0	0	0	0	111.6	L48 S49 S56 S196	L48-A52 WeakPolarHBondContact O-CB 3.46Å; L48-A52 PolarHBondContact O-N 2.98Å; S49-A52 PolarHBondContact O-N 3.15Å; A52-S56 WeakPolarHBondContact O-CB 2.94Å; A52-S56 PolarHBondContact O-N 3.3Å; A52-S56 VanDerWaalsContact O-N 3.15Å; A52-S196 WeakPolarHBondContact CA-O 3.03Å; A52-S196 WeakPolarHBondContact CB-O 3.43Å
53	H	95.4	Very high	88.6	Confident	147 Å²	147	50.5 Å²	50.5	68%	0.681	30%	0.295	S	S	*	.	H	α-helix	trans	-62.8	-49.6	176.5	-178.8	58.2	0	0	0	111.9	S49 M50 I51 M55 S56	S49-H53 PolarHBondContact O-N 3.46Å; M50-H53 PolarHBondContact O-N 3.36Å; I51-H53 VanDerWaalsContact C-N 3.31Å; I51-H53 PolarHBondContact O-N 2.65Å; H53-M55 VanDerWaalsContact C-N 3.31Å; H53-M55 PolarHBondContact O-N 3.3Å; H53-S56 WeakPolarHBondContact O-CB 3.36Å; H53-S56 PolarHBondContact O-N 3.01Å; H53-S56 PolarHBondContact O-OG 3.07Å
54	R	95.8	Very high	90.9	Very high	56 Å²	56	48.7 Å²	48.7	21%	0.211	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-39.5	-178.4	-178.4	57.7	70.3	175	9.1	112.6	M50 I51 S56 S57 S121 L163 K164 V166 D167	M50-R54 WeakPolarHBondContact O-CB 3.47Å; M50-R54 PolarHBondContact O-N 3.5Å; I51-R54 PolarHBondContact O-N 3.24Å; R54-S56 VanDerWaalsContact C-N 3.33Å; R54-S57 PolarHBondContact O-OG 3.23Å; R54-S121 PolarHBondContact NH2-O 3.37Å; R54-L163 WeakPolarHBondContact CG-O 3.35Å; R54-K164 PolarHBondContact NE-O 2.84Å; R54-K164 VanDerWaalsContact NE-O 3.15Å; R54-V166 WeakPolarHBondContact CD-O 3.29Å; R54-V166 PolarHBondContact NE-O 2.62Å; R54-D167 IonicContact NH1-OD1 3.41Å; R54-D167 PolarHBondContact NH1-OD1 3.42Å
55	M	96.9	Very high	93.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-83.7	-8.6	-176.2	-66.6	-75.9	155	0	0	113.6	I51 H53 S57 I58 I96 L163 L174 T197	I51-M55 HydrophobicContact CG2-CG 3.98Å; I51-M55 VanDerWaalsContact O-CB 3.24Å; I51-M55 WeakPolarHBondContact O-CB 3.46Å; I51-M55 WeakPolarHBondContact O-CG 3.47Å; I51-M55 PolarHBondContact O-N 2.77Å; H53-M55 VanDerWaalsContact C-N 3.31Å; H53-M55 PolarHBondContact O-N 3.3Å; M55-S57 PolarHBondContact O-N 3.12Å; M55-I58 HydrophobicContact CE-CD1 4.44Å; M55-I58 WeakPolarHBondContact O-CB 3.33Å; M55-I58 PolarHBondContact O-N 2.91Å; M55-I58 HydrophobicContact SD-CD1 3.57Å; M55-I58 VanDerWaalsContact SD-CD1 3.57Å; M55-I96 HydrophobicContact CE-CD1 4.48Å; M55-L163 HydrophobicContact CE-CB 3.9Å; M55-L163 HydrophobicContact CE-CD2 3.51Å; M55-L163 HydrophobicContact CE-CG 4.32Å; M55-L163 WeakPolarHBondContact CE-O 3.3Å; M55-L163 HydrophobicContact SD-CD2 4.48Å; M55-L174 HydrophobicContact CE-CD2 4.1Å; M55-L174 HydrophobicContact SD-CD2 3.72Å; M55-T197 HydrophobicContact CB-CG2 3.38Å; M55-T197 HydrophobicContact CG-CG2 3.79Å
56	S	96.7	Very high	94.4	Very high	90 Å²	90	40.1 Å²	40.1	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-21.6	179.5	70.5	0	0	0	0	114	A52 H53 R54 I58	A52-S56 WeakPolarHBondContact O-CB 2.94Å; A52-S56 PolarHBondContact O-N 3.3Å; A52-S56 VanDerWaalsContact O-N 3.15Å; H53-S56 WeakPolarHBondContact O-CB 3.36Å; H53-S56 PolarHBondContact O-N 3.01Å; H53-S56 PolarHBondContact O-OG 3.07Å; R54-S56 VanDerWaalsContact C-N 3.33Å; S56-I58 VanDerWaalsContact C-N 3.27Å
57	S	95.7	Very high	95.3	Very high	38 Å²	38	35.9 Å²	35.9	27%	0.266	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	1.3	176	61.8	0	0	0	0	113.7	R54 M55 G169 N170 L171	R54-S57 PolarHBondContact O-OG 3.23Å; M55-S57 PolarHBondContact O-N 3.12Å; S57-G169 VanDerWaalsContact CB-O 3.26Å; S57-G169 WeakPolarHBondContact CB-O 3.09Å; S57-G169 PolarHBondContact OG-O 2.83Å; S57-N170 WeakPolarHBondContact O-CA 3.41Å; S57-L171 PolarHBondContact O-N 2.74Å
58	I	98.3	Very high	95.7	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.1	178.2	-54	-177.2	0	0	0	107.3	M55 S56 H60 K61 W168 L171 L174	M55-I58 HydrophobicContact CE-CD1 4.44Å; M55-I58 WeakPolarHBondContact O-CB 3.33Å; M55-I58 PolarHBondContact O-N 2.91Å; M55-I58 HydrophobicContact SD-CD1 3.57Å; M55-I58 VanDerWaalsContact SD-CD1 3.57Å; S56-I58 VanDerWaalsContact C-N 3.27Å; I58-H60 WeakPolarHBondContact CG2-O 3.17Å; I58-K61 HydrophobicContact CG2-CD 4.34Å; I58-K61 HydrophobicContact CG2-CG 3.99Å; I58-K61 WeakPolarHBondContact O-CE 3.26Å; I58-K61 PolarHBondContact O-NZ 3.49Å; I58-W168 HydrophobicContact CD1-CB 4.44Å; I58-W168 HydrophobicContact CD1-CG 4.23Å; I58-L171 CarbonylContact C-O 3.42Å; I58-L171 VanDerWaalsContact CA-O 3.28Å; I58-L171 WeakPolarHBondContact CA-O 3.47Å; I58-L171 HydrophobicContact CB-CB 4.41Å; I58-L171 HydrophobicContact CD1-CD1 4.08Å; I58-L171 HydrophobicContact CG1-CB 4.11Å; I58-L171 HydrophobicContact CG1-CD1 4.29Å; I58-L171 HydrophobicContact CG1-CG 4.43Å; I58-L171 HydrophobicContact CG2-CB 4.08Å; I58-L174 HydrophobicContact CD1-CB 4.07Å; I58-L174 HydrophobicContact CD1-CD1 4.42Å; I58-L174 HydrophobicContact CD1-CD2 3.65Å; I58-L174 HydrophobicContact CD1-CG 4.26Å; I58-L174 HydrophobicContact CG2-CB 3.61Å
59	K	98	Very high	95.7	Very high	103 Å²	103	37.4 Å²	37.4	45%	0.448	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-64.7	179.3	-171.6	-173.2	178	-169.7	0	110.7	K61 L171 D172 E316	K59-K61 PolarHBondContact O-NZ 3.49Å; K59-L171 PolarHBondContact N-O 3.01Å; K59-D172 WeakPolarHBondContact CB-O 3.37Å; K59-E316 WeakPolarHBondContact CE-OE1 3.19Å; K59-E316 IonicContact NZ-OE1 3.73Å; K59-E316 PolarHBondContact NZ-OE1 3.33Å; K59-E316 IonicContact NZ-OE2 3.05Å; K59-E316 PolarHBondContact NZ-OE2 2.81Å; K59-E316 VanDerWaalsContact NZ-OE2 3.17Å
60	H	98.6	Very high	95.7	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.065	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.4	-178.7	-60.8	-67.8	0	0	0	112.8	I58 D172 F173 L174 D200 C314 E316	I58-H60 WeakPolarHBondContact CG2-O 3.17Å; H60-D172 WeakPolarHBondContact CB-O 3.09Å; H60-D172 PolarHBondContact CD2-O 2.82Å; H60-D172 PolarHBondContact N-O 2.71Å; H60-F173 HydrophobicContact CB-CD1 3.59Å; H60-F173 HydrophobicContact CB-CE1 3.57Å; H60-F173 HydrophobicContact CB-CG 4.12Å; H60-F173 HydrophobicContact CB-CZ 4.06Å; H60-F173 AromaticContact CD2-CE1 3.94Å; H60-F173 AromaticContact CD2-CE2 3.71Å; H60-F173 AromaticContact CD2-CZ 3.49Å; H60-F173 VanDerWaalsContact CD2-CZ 3.49Å; H60-F173 WeakPolarHBondContact CD2-CZ 3.46Å; H60-F173 AromaticContact CG-CE1 3.85Å; H60-F173 AromaticContact CG-CZ 3.88Å; H60-F173 CarbonylContact O-C 3.56Å; H60-F173 WeakPolarHBondContact O-CA 3.41Å; H60-L174 PolarHBondContact O-N 2.83Å; H60-D200 WeakPolarHBondContact CA-OD2 3.45Å; H60-D200 IonicContact CE1-OD1 3.26Å; H60-D200 IonicContact CG-OD1 3.89Å; H60-D200 IonicContact ND1-OD1 3.37Å; H60-D200 PolarHBondContact ND1-OD1 3.46Å; H60-D200 IonicContact ND1-OD2 2.71Å; H60-C314 PolarHBondContact CE1-O 3.38Å; H60-E316 IonicContact CD2-OE1 2.85Å; H60-E316 PolarHBondContact CD2-OE1 3.29Å; H60-E316 IonicContact NE2-OE1 2.75Å; H60-E316 PolarHBondContact NE2-OE1 2.98Å; H60-E316 VanDerWaalsContact NE2-OE1 3.11Å
61	K	98.6	Very high	95.7	Very high	17 Å²	17	33.2 Å²	33.2	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.6	173.1	-53.2	94	-160.4	161	0	109.7	I58 K59 L174 I176 D198 V199 D200	I58-K61 HydrophobicContact CG2-CD 4.34Å; I58-K61 HydrophobicContact CG2-CG 3.99Å; I58-K61 WeakPolarHBondContact O-CE 3.26Å; I58-K61 PolarHBondContact O-NZ 3.49Å; K59-K61 PolarHBondContact O-NZ 3.49Å; K61-L174 WeakPolarHBondContact CA-O 3.49Å; K61-L174 HydrophobicContact CG-CB 4.31Å; K61-L174 HydrophobicContact CG-CD2 4.41Å; K61-I176 HydrophobicContact CB-CD1 4.2Å; K61-D198 VanDerWaalsContact CD-O 3.23Å; K61-D198 WeakPolarHBondContact CD-O 3.46Å; K61-V199 WeakPolarHBondContact O-CG1 3.4Å; K61-D200 PolarHBondContact N-OD2 3.14Å; K61-D200 PolarHBondContact O-N 2.8Å; K61-D200 VanDerWaalsContact O-N 3.13Å
62	I	98.7	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125	-177.4	-59.4	177.2	0	0	0	109.2	I64 L80 F173 L174 I175 I176 G201 V203 I231 I310	I62-I64 HydrophobicContact CG2-CD1 3.92Å; I62-L80 HydrophobicContact CG2-CD2 4.35Å; I62-F173 HydrophobicContact CD1-CD1 3.98Å; I62-F173 HydrophobicContact CD1-CE1 3.94Å; I62-L174 PolarHBondContact N-O 3.06Å; I62-I175 HydrophobicContact CB-CD1 4.01Å; I62-I175 HydrophobicContact CD1-CD1 4.14Å; I62-I175 HydrophobicContact CG1-CD1 4.39Å; I62-I175 WeakPolarHBondContact O-CA 3.46Å; I62-I176 PolarHBondContact O-N 3.31Å; I62-G201 WeakPolarHBondContact CA-O 3.26Å; I62-V203 HydrophobicContact CG2-CG2 3.97Å; I62-I231 HydrophobicContact CB-CD1 4.44Å; I62-I231 HydrophobicContact CD1-CD1 4.06Å; I62-I231 HydrophobicContact CG1-CD1 3.93Å; I62-I231 HydrophobicContact CG2-CD1 3.82Å; I62-I310 HydrophobicContact CD1-CG2 3.72Å
63	L	98.6	Very high	95.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.7	171.7	-64.8	94.8	0	0	0	110.9	L65 I176 T178 V190 L193 V199 G201 A202 V203 L228	L63-L65 HydrophobicContact CB-CD2 3.71Å; L63-L65 HydrophobicContact CB-CG 4.34Å; L63-L65 HydrophobicContact CD2-CD2 4.21Å; L63-I176 HydrophobicContact CG-CB 4.33Å; L63-I176 HydrophobicContact CG-CD1 4.4Å; L63-T178 HydrophobicContact CB-CG2 4.25Å; L63-T178 HydrophobicContact CD2-CG2 3.83Å; L63-T178 HydrophobicContact CG-CG2 4.46Å; L63-V190 HydrophobicContact CD2-CG2 3.72Å; L63-L193 HydrophobicContact CD1-CD1 4.15Å; L63-L193 HydrophobicContact CD2-CD1 4.04Å; L63-L193 HydrophobicContact CG-CD1 4.17Å; L63-V199 HydrophobicContact CD1-CG1 3.28Å; L63-V199 HydrophobicContact CD1-CG2 4.47Å; L63-G201 PolarHBondContact N-O 3.32Å; L63-A202 HydrophobicContact CB-CB 4.47Å; L63-A202 CarbonylContact O-C 3.59Å; L63-A202 VanDerWaalsContact O-CA 3.26Å; L63-A202 WeakPolarHBondContact O-CA 3.41Å; L63-V203 PolarHBondContact O-N 2.71Å; L63-L228 HydrophobicContact CD1-CD1 4.09Å
64	I	98.6	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.1	171.6	-46.4	-57.3	0	0	0	107.5	I62 K73 V76 C77 L80 I175 I176 T178 V203 V205	I62-I64 HydrophobicContact CG2-CD1 3.92Å; I64-K73 HydrophobicContact CB-CG 4.45Å; I64-K73 HydrophobicContact CG2-CG 3.78Å; I64-V76 HydrophobicContact CG2-CG1 4.22Å; I64-C77 HydrophobicContact CB-CB 4.24Å; I64-C77 HydrophobicContact CG1-CB 3.86Å; I64-C77 HydrophobicContact CG2-CB 4.35Å; I64-L80 HydrophobicContact CD1-CD2 3.81Å; I64-I175 HydrophobicContact CD1-CG2 3.88Å; I64-I175 HydrophobicContact CG1-CG2 3.57Å; I64-I176 PolarHBondContact N-O 2.85Å; I64-T178 PolarHBondContact O-N 3.11Å; I64-T178 PolarHBondContact O-OG1 3.4Å; I64-V203 WeakPolarHBondContact CA-O 3.48Å; I64-V203 HydrophobicContact CD1-CB 3.89Å; I64-V203 HydrophobicContact CD1-CG2 4.31Å; I64-V205 HydrophobicContact CG2-CG2 3.8Å
65	L	97.9	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	154	-174.4	-47.9	-174.4	0	0	0	110.8	L63 T178 A202 V203 V204 V205 E219 C223 L228	L63-L65 HydrophobicContact CB-CD2 3.71Å; L63-L65 HydrophobicContact CB-CG 4.34Å; L63-L65 HydrophobicContact CD2-CD2 4.21Å; L65-T178 HydrophobicContact CD2-CG2 3.5Å; L65-T178 VanDerWaalsContact CD2-OG1 3.28Å; L65-T178 WeakPolarHBondContact CD2-OG1 3.41Å; L65-A202 HydrophobicContact CD1-CB 3.52Å; L65-A202 HydrophobicContact CG-CB 3.87Å; L65-V203 PolarHBondContact N-O 2.9Å; L65-V204 HydrophobicContact CB-CG2 4.38Å; L65-V204 WeakPolarHBondContact O-CA 3.1Å; L65-V205 PolarHBondContact O-N 3.1Å; L65-E219 HydrophobicContact CB-CG 4.23Å; L65-E219 HydrophobicContact CD1-CG 4.46Å; L65-C223 VanDerWaalsContact CD1-SG 3.52Å; L65-L228 HydrophobicContact CD1-CD2 4.07Å
66	S	96.1	Very high	96	Very high	1 Å²	1	25 Å²	25	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.1	166	67.3	0	0	0	0	110.8	K68 V71 K73 G181	S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 PolarHBondContact O-N 3.21Å; S66-K68 PolarHBondContact OG-O 3.21Å; S66-V71 VanDerWaalsContact CB-CG2 3.44Å; S66-K73 WeakPolarHBondContact OG-CD 3.36Å; S66-G181 PolarHBondContact O-N 3.27Å
67	G	91.3	Very high	96.1	Very high	12 Å²	12	20.7 Å²	20.7	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	-71.6	-27.5	177.4	0	0	0	0	0	113.8	G181	G67-G181 WeakPolarHBondContact O-CA 3.34Å; G67-G181 PolarHBondContact O-N 3.35Å
68	K	89.6	Confident	96.2	Very high	50 Å²	50	19.1 Å²	19.1	22%	0.217	13%	0.131	C	C	.	.	S	Bend	trans	-142.6	166	179.7	69.3	178.2	-172.5	178.4	0	111.6	S66 V71 S212	S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 PolarHBondContact O-N 3.21Å; S66-K68 PolarHBondContact OG-O 3.21Å; K68-V71 HydrophobicContact CD-CG1 4.38Å; K68-V71 HydrophobicContact CG-CG1 3.69Å; K68-S212 VanDerWaalsContact CE-CB 3.49Å
69	G	89.4	Confident	96.2	Very high	50 Å²	50	19.3 Å²	19.3	52%	0.515	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	157.8	172.2	0	0	0	0	0	112.9	V71	G69-V71 PolarHBondContact O-N 3.2Å
70	G	90.9	Very high	96.2	Very high	74 Å²	74	14.5 Å²	14.5	76%	0.763	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	6.7	172.8	0	0	0	0	0	116.4	G72	G70-G72 VanDerWaalsContact C-N 3.25Å; G70-G72 PolarHBondContact O-N 3.46Å
71	V	93.5	Very high	96.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	11%	0.108	C	C	.	.	S	Bend	trans	-81.4	-1.5	176.2	-57.1	0	0	0	0	113.7	S66 K68 G69 K73 V205 T207 N236	S66-V71 VanDerWaalsContact CB-CG2 3.44Å; K68-V71 HydrophobicContact CD-CG1 4.38Å; K68-V71 HydrophobicContact CG-CG1 3.69Å; G69-V71 PolarHBondContact O-N 3.2Å; V71-K73 HydrophobicContact CG2-CB 4.3Å; V71-V205 HydrophobicContact CG2-CB 4.23Å; V71-V205 HydrophobicContact CG2-CG1 4Å; V71-T207 HydrophobicContact CB-CG2 4.04Å; V71-T207 HydrophobicContact CG1-CG2 4.16Å; V71-N236 PolarHBondContact O-ND2 2.79Å
72	G	95	Very high	96.2	Very high	12 Å²	12	13.9 Å²	13.9	12%	0.124	11%	0.108	C	C	.	.	S	Bend	trans	81.1	26.5	-174.6	0	0	0	0	0	114.6	G70 S74 T75 V76	G70-G72 VanDerWaalsContact C-N 3.25Å; G70-G72 PolarHBondContact O-N 3.46Å; G72-S74 PolarHBondContact O-N 3.15Å; G72-T75 WeakPolarHBondContact O-CB 3.48Å; G72-T75 PolarHBondContact O-N 3.36Å; G72-V76 WeakPolarHBondContact O-CG2 3.33Å; G72-V76 PolarHBondContact O-N 3.09Å
73	K	97.3	Very high	96.1	Very high	11 Å²	11	14 Å²	14	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-50.9	-52.9	174.4	179.7	-169.9	45	73.8	0	112.1	I64 S66 V71 T75 V76 C77 D177 T178	I64-K73 HydrophobicContact CB-CG 4.45Å; I64-K73 HydrophobicContact CG2-CG 3.78Å; S66-K73 WeakPolarHBondContact OG-CD 3.36Å; V71-K73 HydrophobicContact CG2-CB 4.3Å; K73-T75 VanDerWaalsContact C-N 3.29Å; K73-T75 PolarHBondContact O-N 3.37Å; K73-V76 WeakPolarHBondContact O-CB 3.38Å; K73-V76 PolarHBondContact O-N 3.29Å; K73-V76 VanDerWaalsContact O-N 3.12Å; K73-C77 PolarHBondContact O-N 2.98Å; K73-D177 WeakPolarHBondContact CG-OD1 3.5Å; K73-D177 IonicContact NZ-OD1 3.11Å; K73-D177 PolarHBondContact NZ-OD1 2.75Å; K73-D177 IonicContact NZ-OD2 3.17Å; K73-T178 VanDerWaalsContact CD-O 3.25Å; K73-T178 WeakPolarHBondContact CD-O 3.49Å; K73-T178 WeakPolarHBondContact CE-O 3.11Å; K73-T178 PolarHBondContact NZ-O 3.49Å
74	S	97.8	Very high	96.1	Very high	15 Å²	15	13.9 Å²	13.9	11%	0.105	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-33	-179.3	-55.5	0	0	0	0	112.7	G72 C77 S78 S104 Q105 D177	G72-S74 PolarHBondContact O-N 3.15Å; S74-C77 WeakPolarHBondContact O-CB 3.39Å; S74-C77 PolarHBondContact O-N 2.82Å; S74-S78 PolarHBondContact O-N 3.37Å; S74-S78 PolarHBondContact O-OG 3.06Å; S74-S104 WeakPolarHBondContact CB-OG 3.4Å; S74-S104 PolarHBondContact OG-OG 3.46Å; S74-Q105 PolarHBondContact O-NE2 3.1Å; S74-D177 VanDerWaalsContact CA-OD2 3.3Å; S74-D177 WeakPolarHBondContact CA-OD2 3.48Å; S74-D177 WeakPolarHBondContact CB-OD2 3.23Å; S74-D177 PolarHBondContact OG-OD1 2.87Å; S74-D177 PolarHBondContact OG-OD2 3Å
75	T	97.4	Very high	96	Very high	27 Å²	27	14.1 Å²	14.1	17%	0.166	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-46.3	170.9	-48.5	0	0	0	0	111.8	G72 K73 C77 S78 L79 M108 L280	G72-T75 WeakPolarHBondContact O-CB 3.48Å; G72-T75 PolarHBondContact O-N 3.36Å; K73-T75 VanDerWaalsContact C-N 3.29Å; K73-T75 PolarHBondContact O-N 3.37Å; T75-C77 VanDerWaalsContact C-N 3.3Å; T75-C77 PolarHBondContact O-N 3.46Å; T75-S78 PolarHBondContact O-N 2.8Å; T75-S78 PolarHBondContact O-OG 3.38Å; T75-L79 HydrophobicContact CG2-CD1 4.02Å; T75-L79 HydrophobicContact CG2-CG 4.38Å; T75-L79 VanDerWaalsContact O-CB 3.28Å; T75-L79 WeakPolarHBondContact O-CB 3.44Å; T75-L79 WeakPolarHBondContact O-CG 3.3Å; T75-L79 PolarHBondContact O-N 3.04Å; T75-M108 HydrophobicContact CG2-CE 4.45Å; T75-L280 HydrophobicContact CG2-CD1 3.92Å; T75-L280 HydrophobicContact CG2-CD2 3.85Å; T75-L280 HydrophobicContact CG2-CG 3.97Å
76	V	97.8	Very high	95.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-40.4	175.4	169.8	0	0	0	0	110.6	I64 G72 K73 L80 V205 V234 W303	I64-V76 HydrophobicContact CG2-CG1 4.22Å; G72-V76 WeakPolarHBondContact O-CG2 3.33Å; G72-V76 PolarHBondContact O-N 3.09Å; K73-V76 WeakPolarHBondContact O-CB 3.38Å; K73-V76 PolarHBondContact O-N 3.29Å; K73-V76 VanDerWaalsContact O-N 3.12Å; V76-L80 VanDerWaalsContact O-CB 3.31Å; V76-L80 WeakPolarHBondContact O-CB 3.44Å; V76-L80 PolarHBondContact O-N 3.38Å; V76-V205 HydrophobicContact CB-CG2 3.89Å; V76-V205 HydrophobicContact CG1-CG2 3.74Å; V76-V205 HydrophobicContact CG2-CG1 3.9Å; V76-V205 HydrophobicContact CG2-CG2 3.99Å; V76-V234 HydrophobicContact CG2-CG1 4.39Å; V76-W303 HydrophobicContact CB-CH2 4.47Å; V76-W303 HydrophobicContact CG1-CH2 3.75Å; V76-W303 HydrophobicContact CG1-CZ3 4.14Å; V76-W303 HydrophobicContact CG2-CZ3 4.49Å
77	C	98.6	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-50.9	176	177.9	0	0	0	0	112.2	I64 K73 S74 T75 L79 L80 A81 I175 D177	I64-C77 HydrophobicContact CB-CB 4.24Å; I64-C77 HydrophobicContact CG1-CB 3.86Å; I64-C77 HydrophobicContact CG2-CB 4.35Å; K73-C77 PolarHBondContact O-N 2.98Å; S74-C77 WeakPolarHBondContact O-CB 3.39Å; S74-C77 PolarHBondContact O-N 2.82Å; T75-C77 VanDerWaalsContact C-N 3.3Å; T75-C77 PolarHBondContact O-N 3.46Å; C77-L79 PolarHBondContact O-N 2.9Å; C77-L80 PolarHBondContact O-N 3.4Å; C77-A81 PolarHBondContact O-N 2.77Å; C77-I175 HydrophobicContact CB-CG2 4.47Å; C77-I175 VanDerWaalsContact SG-CG2 3.53Å; C77-D177 HydrophobicContact CB-CB 4.1Å
78	S	98.1	Very high	96.1	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-39.7	179.7	63.6	0	0	0	0	112	S74 T75 A81 R82	S74-S78 PolarHBondContact O-N 3.37Å; S74-S78 PolarHBondContact O-OG 3.06Å; T75-S78 PolarHBondContact O-N 2.8Å; T75-S78 PolarHBondContact O-OG 3.38Å; S78-A81 PolarHBondContact O-N 3.47Å; S78-R82 WeakPolarHBondContact O-CB 3.38Å; S78-R82 WeakPolarHBondContact O-CG 3.42Å; S78-R82 PolarHBondContact O-N 3.31Å
79	L	97.9	Very high	96.3	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-40.5	176	-75.3	174.9	0	0	0	111.7	T75 C77 S83 L280 F290 L291 W303	T75-L79 HydrophobicContact CG2-CD1 4.02Å; T75-L79 HydrophobicContact CG2-CG 4.38Å; T75-L79 VanDerWaalsContact O-CB 3.28Å; T75-L79 WeakPolarHBondContact O-CB 3.44Å; T75-L79 WeakPolarHBondContact O-CG 3.3Å; T75-L79 PolarHBondContact O-N 3.04Å; C77-L79 PolarHBondContact O-N 2.9Å; L79-S83 VanDerWaalsContact O-CB 3.29Å; L79-S83 WeakPolarHBondContact O-CB 3.16Å; L79-S83 PolarHBondContact O-N 3.47Å; L79-S83 PolarHBondContact O-OG 2.92Å; L79-S83 VanDerWaalsContact O-OG 3.06Å; L79-L280 HydrophobicContact CD1-CD1 4.15Å; L79-L280 HydrophobicContact CD1-CD2 4.05Å; L79-L280 HydrophobicContact CD2-CD1 4.04Å; L79-L280 HydrophobicContact CG-CD1 4.36Å; L79-F290 HydrophobicContact CD2-CB 4.42Å; L79-F290 HydrophobicContact CD2-CD1 4.12Å; L79-L291 HydrophobicContact CD2-CD1 4.26Å; L79-L291 HydrophobicContact CD2-CD2 4.06Å; L79-L291 HydrophobicContact CD2-CG 3.93Å; L79-W303 HydrophobicContact CB-CD2 4.28Å; L79-W303 HydrophobicContact CB-CH2 4.34Å; L79-W303 HydrophobicContact CB-CZ2 3.63Å; L79-W303 HydrophobicContact CD1-CD2 4.39Å; L79-W303 PolarHBondContact O-NE1 3.23Å
80	L	98.5	Very high	96.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-48.4	178.1	177.1	58.7	0	0	0	110.9	I62 I64 V76 C77 S83 I84 I175 W303 I307 I310	I62-L80 HydrophobicContact CG2-CD2 4.35Å; I64-L80 HydrophobicContact CD1-CD2 3.81Å; V76-L80 VanDerWaalsContact O-CB 3.31Å; V76-L80 WeakPolarHBondContact O-CB 3.44Å; V76-L80 PolarHBondContact O-N 3.38Å; C77-L80 PolarHBondContact O-N 3.4Å; L80-S83 PolarHBondContact O-N 3.18Å; L80-I84 HydrophobicContact CD1-CD1 3.79Å; L80-I84 HydrophobicContact CD1-CG1 4.24Å; L80-I84 HydrophobicContact CG-CD1 4.07Å; L80-I84 WeakPolarHBondContact O-CG1 3.35Å; L80-I84 PolarHBondContact O-N 2.92Å; L80-I84 VanDerWaalsContact O-N 3.08Å; L80-I175 HydrophobicContact CD2-CD1 3.87Å; L80-I175 HydrophobicContact CD2-CG1 4.4Å; L80-I175 HydrophobicContact CD2-CG2 4.04Å; L80-I175 HydrophobicContact CG-CD1 4.13Å; L80-I175 HydrophobicContact CG-CG1 4.4Å; L80-W303 HydrophobicContact CB-CH2 4.41Å; L80-W303 HydrophobicContact CB-CZ2 3.94Å; L80-I307 HydrophobicContact CD1-CD1 3.4Å; L80-I307 VanDerWaalsContact CD1-CD1 3.4Å; L80-I310 HydrophobicContact CD1-CD1 4Å; L80-I310 HydrophobicContact CD1-CG2 4.23Å; L80-I310 HydrophobicContact CD2-CD1 4.41Å
81	A	98.6	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-47.1	180	0	0	0	0	0	112.1	C77 S78 I84 A85 V93 I95 L132 I175	C77-A81 PolarHBondContact O-N 2.77Å; S78-A81 PolarHBondContact O-N 3.47Å; A81-I84 PolarHBondContact O-N 3.04Å; A81-A85 WeakPolarHBondContact O-CB 3.23Å; A81-A85 PolarHBondContact O-N 3.4Å; A81-V93 HydrophobicContact CB-CG1 3.92Å; A81-I95 HydrophobicContact CB-CD1 3.51Å; A81-I95 HydrophobicContact CB-CG1 3.61Å; A81-L132 HydrophobicContact CB-CD1 3.88Å; A81-I175 HydrophobicContact CB-CG1 4.25Å
82	R	97.9	Very high	97.2	Very high	18 Å²	18	29 Å²	29	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-40.8	176.3	-72.2	-169.9	-175.5	-99.2	14.1	112.4	S78 I84 A85 R86 E129 L132 D289 L291	S78-R82 WeakPolarHBondContact O-CB 3.38Å; S78-R82 WeakPolarHBondContact O-CG 3.42Å; S78-R82 PolarHBondContact O-N 3.31Å; R82-I84 VanDerWaalsContact C-N 3.35Å; R82-I84 PolarHBondContact O-N 2.9Å; R82-A85 PolarHBondContact O-N 3.18Å; R82-R86 WeakPolarHBondContact O-CB 3.17Å; R82-R86 WeakPolarHBondContact O-CD 3.39Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.03Å; R82-E129 IonicContact CZ-OE1 2.94Å; R82-E129 IonicContact NH1-OE1 2.96Å; R82-E129 PolarHBondContact NH1-OE1 3.36Å; R82-L132 HydrophobicContact CG-CD2 3.93Å; R82-D289 VanDerWaalsContact CD-OD1 3.3Å; R82-D289 WeakPolarHBondContact CD-OD1 3.42Å; R82-L291 HydrophobicContact CB-CD1 4.17Å
83	S	97.3	Very high	97.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-44.8	176.1	-76.2	0	0	0	0	112.4	L79 L80 R87 L291 W303	L79-S83 VanDerWaalsContact O-CB 3.29Å; L79-S83 WeakPolarHBondContact O-CB 3.16Å; L79-S83 PolarHBondContact O-N 3.47Å; L79-S83 PolarHBondContact O-OG 2.92Å; L79-S83 VanDerWaalsContact O-OG 3.06Å; L80-S83 PolarHBondContact O-N 3.18Å; S83-R87 WeakPolarHBondContact O-CB 3.12Å; S83-R87 VanDerWaalsContact O-CG 3.26Å; S83-R87 WeakPolarHBondContact O-CG 3.38Å; S83-R87 PolarHBondContact O-N 2.95Å; S83-L291 WeakPolarHBondContact OG-CD1 3.48Å; S83-W303 VanDerWaalsContact OG-CD1 3.27Å; S83-W303 PolarHBondContact OG-NE1 2.92Å
84	I	97.9	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-48.5	179.2	-64	168.8	0	0	0	110.1	L80 A81 R82 R86 R87 F88 Y91 V93 F173 I175 L311	L80-I84 HydrophobicContact CD1-CD1 3.79Å; L80-I84 HydrophobicContact CD1-CG1 4.24Å; L80-I84 HydrophobicContact CG-CD1 4.07Å; L80-I84 WeakPolarHBondContact O-CG1 3.35Å; L80-I84 PolarHBondContact O-N 2.92Å; L80-I84 VanDerWaalsContact O-N 3.08Å; A81-I84 PolarHBondContact O-N 3.04Å; R82-I84 VanDerWaalsContact C-N 3.35Å; R82-I84 PolarHBondContact O-N 2.9Å; I84-R86 VanDerWaalsContact C-N 3.29Å; I84-R86 PolarHBondContact O-N 3.42Å; I84-R87 PolarHBondContact O-N 3.11Å; I84-F88 HydrophobicContact CG2-CD2 4.24Å; I84-F88 PolarHBondContact O-N 3.46Å; I84-Y91 HydrophobicContact CG2-CD2 4.17Å; I84-V93 HydrophobicContact CB-CG2 4.08Å; I84-V93 HydrophobicContact CG2-CG2 3.62Å; I84-F173 HydrophobicContact CD1-CB 4.24Å; I84-F173 HydrophobicContact CD1-CD1 3.7Å; I84-F173 HydrophobicContact CD1-CD2 4.28Å; I84-F173 HydrophobicContact CD1-CE1 4.11Å; I84-F173 HydrophobicContact CD1-CG 3.8Å; I84-F173 HydrophobicContact CG2-CB 4.5Å; I84-F173 HydrophobicContact CG2-CD2 3.74Å; I84-F173 HydrophobicContact CG2-CE2 4.24Å; I84-F173 HydrophobicContact CG2-CG 4.17Å; I84-I175 HydrophobicContact CD1-CD1 4.27Å; I84-L311 HydrophobicContact CG1-CD2 4.25Å
85	A	97.5	Very high	97.5	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-39.7	-179.8	0	0	0	0	0	112.5	A81 R82 V93 N131 L132	A81-A85 WeakPolarHBondContact O-CB 3.23Å; A81-A85 PolarHBondContact O-N 3.4Å; R82-A85 PolarHBondContact O-N 3.18Å; A85-V93 HydrophobicContact CB-CG2 4.17Å; A85-N131 PolarHBondContact O-ND2 3.09Å; A85-L132 HydrophobicContact CB-CB 4.23Å
86	R	95.4	Very high	97.5	Very high	94 Å²	94	26 Å²	26	36%	0.355	14%	0.136	S	C	.	.	H	α-helix	trans	-72.4	-40.7	177.4	-70.2	168.9	68.1	91.2	5.6	113.4	R82 I84 D289 L291 Q292	R82-R86 WeakPolarHBondContact O-CB 3.17Å; R82-R86 WeakPolarHBondContact O-CD 3.39Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.03Å; I84-R86 VanDerWaalsContact C-N 3.29Å; I84-R86 PolarHBondContact O-N 3.42Å; R86-D289 WeakPolarHBondContact CD-OD2 3.29Å; R86-D289 IonicContact CZ-OD2 2.68Å; R86-D289 IonicContact NE-OD2 3.26Å; R86-D289 IonicContact NH1-OD2 3.71Å; R86-D289 PolarHBondContact NH1-OD2 3.07Å; R86-L291 PolarHBondContact NH2-O 3.11Å; R86-Q292 VanDerWaalsContact NH1-CA 3.3Å
87	R	94.8	Very high	97.5	Very high	72 Å²	72	25.9 Å²	25.9	27%	0.272	14%	0.135	S	C	.	.	H	α-helix	trans	-71.1	-33.3	-178.4	-76.9	177.7	174.2	-158.3	1.8	112.2	S83 I84 E304 I307 D308	S83-R87 WeakPolarHBondContact O-CB 3.12Å; S83-R87 VanDerWaalsContact O-CG 3.26Å; S83-R87 WeakPolarHBondContact O-CG 3.38Å; S83-R87 PolarHBondContact O-N 2.95Å; I84-R87 PolarHBondContact O-N 3.11Å; R87-E304 IonicContact CZ-OE2 3.15Å; R87-E304 IonicContact NE-OE2 3.72Å; R87-E304 PolarHBondContact NE-OE2 3.29Å; R87-E304 PolarHBondContact NH2-O 3.31Å; R87-E304 VanDerWaalsContact NH2-O 3.09Å; R87-E304 IonicContact NH2-OE2 2.63Å; R87-E304 PolarHBondContact NH2-OE2 2.9Å; R87-I307 VanDerWaalsContact CZ-CG2 3.49Å; R87-I307 VanDerWaalsContact NH1-CG2 3.28Å; R87-D308 IonicContact CZ-OD1 3.21Å; R87-D308 IonicContact NH1-OD1 3.16Å; R87-D308 PolarHBondContact NH1-OD1 3.49Å; R87-D308 IonicContact NH2-OD1 2.85Å; R87-D308 PolarHBondContact NH2-OD1 2.96Å
88	F	96	Very high	97.4	Very high	28 Å²	28	25.9 Å²	25.9	12%	0.123	14%	0.136	C	C	.	.			trans	-125.8	88.9	-176	-54.5	-74	0	0	0	110.6	I84 N90 Y91 N131 L311	I84-F88 HydrophobicContact CG2-CD2 4.24Å; I84-F88 PolarHBondContact O-N 3.46Å; F88-N90 PolarHBondContact O-N 3.09Å; F88-Y91 HydrophobicContact CB-CD1 3.78Å; F88-Y91 HydrophobicContact CB-CD2 3.61Å; F88-Y91 HydrophobicContact CB-CE1 4.28Å; F88-Y91 HydrophobicContact CB-CE2 4.14Å; F88-Y91 HydrophobicContact CB-CG 3.4Å; F88-Y91 VanDerWaalsContact CB-CG 3.4Å; F88-Y91 HydrophobicContact CD1-CE2 4.3Å; F88-Y91 AromaticContact CD2-CD2 3.73Å; F88-Y91 HydrophobicContact CD2-CD2 3.73Å; F88-Y91 AromaticContact CD2-CE2 3.82Å; F88-Y91 HydrophobicContact CD2-CE2 3.82Å; F88-Y91 HydrophobicContact CD2-CG 4.42Å; F88-Y91 HydrophobicContact CE2-CE2 4.27Å; F88-Y91 HydrophobicContact CG-CD1 4.39Å; F88-Y91 AromaticContact CG-CD2 3.74Å; F88-Y91 HydrophobicContact CG-CD2 3.74Å; F88-Y91 HydrophobicContact CG-CE1 4.46Å; F88-Y91 AromaticContact CG-CE2 3.83Å; F88-Y91 HydrophobicContact CG-CE2 3.83Å; F88-Y91 HydrophobicContact CG-CG 4.03Å; F88-Y91 WeakPolarHBondContact O-CB 3.18Å; F88-Y91 PolarHBondContact O-N 3.27Å; F88-N131 PolarHBondContact O-ND2 3Å; F88-L311 HydrophobicContact CE2-CD1 3.69Å; F88-L311 HydrophobicContact CE2-CD2 4.12Å; F88-L311 HydrophobicContact CZ-CD1 4.05Å
89	A	94	Very high	97.2	Very high	92 Å²	92	27 Å²	27	76%	0.76	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.3	-179.5	0	0	0	0	0	113.9
90	N	96.1	Very high	96.9	Very high	122 Å²	122	26.7 Å²	26.7	65%	0.652	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.1	177.3	66.2	-66.1	0	0	0	113.8	F88	F88-N90 PolarHBondContact O-N 3.09Å
91	Y	98.2	Very high	96.3	Very high	28 Å²	28	29.8 Å²	29.8	11%	0.11	16%	0.16	C	C	.	.			trans	-94.6	138.6	177.7	-77.5	15.5	0	0	0	110.5	I84 F88 N131 D172 F173 E316	I84-Y91 HydrophobicContact CG2-CD2 4.17Å; F88-Y91 HydrophobicContact CB-CD1 3.78Å; F88-Y91 HydrophobicContact CB-CD2 3.61Å; F88-Y91 HydrophobicContact CB-CE1 4.28Å; F88-Y91 HydrophobicContact CB-CE2 4.14Å; F88-Y91 HydrophobicContact CB-CG 3.4Å; F88-Y91 VanDerWaalsContact CB-CG 3.4Å; F88-Y91 HydrophobicContact CD1-CE2 4.3Å; F88-Y91 AromaticContact CD2-CD2 3.73Å; F88-Y91 HydrophobicContact CD2-CD2 3.73Å; F88-Y91 AromaticContact CD2-CE2 3.82Å; F88-Y91 HydrophobicContact CD2-CE2 3.82Å; F88-Y91 HydrophobicContact CD2-CG 4.42Å; F88-Y91 HydrophobicContact CE2-CE2 4.27Å; F88-Y91 HydrophobicContact CG-CD1 4.39Å; F88-Y91 AromaticContact CG-CD2 3.74Å; F88-Y91 HydrophobicContact CG-CD2 3.74Å; F88-Y91 HydrophobicContact CG-CE1 4.46Å; F88-Y91 AromaticContact CG-CE2 3.83Å; F88-Y91 HydrophobicContact CG-CE2 3.83Å; F88-Y91 HydrophobicContact CG-CG 4.03Å; F88-Y91 WeakPolarHBondContact O-CB 3.18Å; F88-Y91 PolarHBondContact O-N 3.27Å; Y91-N131 VanDerWaalsContact O-CB 3.27Å; Y91-N131 WeakPolarHBondContact O-CB 3.23Å; Y91-N131 PolarHBondContact O-ND2 2.67Å; Y91-D172 WeakPolarHBondContact CA-OD2 3.33Å; Y91-D172 HydrophobicContact CD1-CB 4.32Å; Y91-D172 HydrophobicContact CD2-CB 3.75Å; Y91-D172 HydrophobicContact CE2-CB 4.32Å; Y91-D172 HydrophobicContact CG-CB 3.75Å; Y91-F173 HydrophobicContact CD2-CD2 4.13Å; Y91-F173 HydrophobicContact CD2-CE2 4.07Å; Y91-F173 HydrophobicContact CE2-CD2 4.47Å; Y91-F173 AromaticContact CE2-CE2 3.95Å; Y91-F173 HydrophobicContact CE2-CE2 3.95Å; Y91-E316 PolarHBondContact OH-OE2 2.85Å; Y91-E316 VanDerWaalsContact OH-OE2 3.12Å
92	N	98.6	Very high	95.9	Very high	66 Å²	66	31.7 Å²	31.7	35%	0.353	18%	0.18	S	C	.	.			trans	-98	130	170.4	-61.4	-44.8	0	0	0	110.1	N170 L171 D172 F173	N92-N170 VanDerWaalsContact CB-O 3.31Å; N92-N170 WeakPolarHBondContact CB-O 3.24Å; N92-N170 PolarHBondContact ND2-O 2.92Å; N92-L171 HydrophobicContact CB-CD2 3.7Å; N92-D172 PolarHBondContact N-OD2 3.35Å; N92-D172 PolarHBondContact O-N 3.13Å; N92-F173 PolarHBondContact O-N 3.13Å
93	V	98.8	Very high	95.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	-177.3	-172.3	0	0	0	0	110.2	A81 I84 A85 N131 L132 C133 F173 I175	A81-V93 HydrophobicContact CB-CG1 3.92Å; I84-V93 HydrophobicContact CB-CG2 4.08Å; I84-V93 HydrophobicContact CG2-CG2 3.62Å; A85-V93 HydrophobicContact CB-CG2 4.17Å; V93-N131 PolarHBondContact N-O 3.15Å; V93-L132 HydrophobicContact CB-CD1 3.86Å; V93-L132 HydrophobicContact CG1-CD1 3.87Å; V93-L132 WeakPolarHBondContact O-CA 3.44Å; V93-C133 PolarHBondContact O-N 2.86Å; V93-F173 CarbonylContact C-O 3.55Å; V93-F173 WeakPolarHBondContact CA-O 3.42Å; V93-F173 HydrophobicContact CG1-CB 4.21Å; V93-F173 HydrophobicContact CG2-CB 4.46Å; V93-I175 HydrophobicContact CG1-CG1 4.39Å
94	G	98.8	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.5	174.6	0	0	0	0	0	112	C133 F173 L174 I175	G94-C133 CarbonylContact C-O 3.56Å; G94-C133 VanDerWaalsContact CA-O 3.31Å; G94-C133 WeakPolarHBondContact CA-O 3.5Å; G94-F173 PolarHBondContact N-O 3.38Å; G94-L174 WeakPolarHBondContact O-CA 3.37Å; G94-I175 PolarHBondContact O-N 3.23Å
95	I	98.9	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.4	170	-60.3	171.3	0	0	0	109.9	A81 Q105 L109 L132 C133 A134 I135 I175	A81-I95 HydrophobicContact CB-CD1 3.51Å; A81-I95 HydrophobicContact CB-CG1 3.61Å; I95-Q105 HydrophobicContact CG2-CG 4.16Å; I95-L109 HydrophobicContact CD1-CD1 3.82Å; I95-L109 HydrophobicContact CD1-CD2 3.99Å; I95-L132 HydrophobicContact CD1-CD1 4.18Å; I95-L132 HydrophobicContact CG1-CD1 4.29Å; I95-C133 PolarHBondContact N-O 3.5Å; I95-A134 HydrophobicContact CB-CB 4.01Å; I95-A134 CarbonylContact O-C 3.5Å; I95-A134 VanDerWaalsContact O-CA 3.3Å; I95-A134 WeakPolarHBondContact O-CA 3.14Å; I95-I135 PolarHBondContact O-N 3.5Å; I95-I175 CarbonylContact C-O 3.56Å; I95-I175 VanDerWaalsContact CA-O 3.29Å; I95-I175 WeakPolarHBondContact CA-O 3.23Å
96	I	98.6	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.8	163	-62.8	-179.6	0	0	0	108.7	M55 A98 I135 F162 L163 W168 L174 I175 I176 D177 I189	M55-I96 HydrophobicContact CE-CD1 4.48Å; I96-A98 HydrophobicContact CG2-CB 4.29Å; I96-A98 PolarHBondContact O-N 3.46Å; I96-I135 HydrophobicContact CB-CG2 4.25Å; I96-I135 HydrophobicContact CG1-CG2 3.86Å; I96-I135 HydrophobicContact CG2-CG2 4.22Å; I96-F162 HydrophobicContact CG2-CB 4.28Å; I96-F162 HydrophobicContact CG2-CD2 4.02Å; I96-L163 HydrophobicContact CD1-CD2 3.71Å; I96-W168 HydrophobicContact CD1-CH2 4.45Å; I96-W168 HydrophobicContact CD1-CZ2 3.76Å; I96-W168 HydrophobicContact CG1-CH2 3.69Å; I96-W168 HydrophobicContact CG1-CZ2 3.48Å; I96-W168 VanDerWaalsContact CG1-CZ2 3.48Å; I96-L174 HydrophobicContact CD1-CD1 4.18Å; I96-L174 HydrophobicContact CD1-CD2 3.84Å; I96-L174 HydrophobicContact CD1-CG 4.36Å; I96-L174 HydrophobicContact CG1-CD1 3.95Å; I96-L174 HydrophobicContact CG1-CD2 4.47Å; I96-L174 HydrophobicContact CG1-CG 4.47Å; I96-I175 PolarHBondContact N-O 3.49Å; I96-I176 HydrophobicContact CB-CG1 4.27Å; I96-I176 HydrophobicContact CB-CG2 4.36Å; I96-I176 HydrophobicContact CD1-CG1 4.35Å; I96-I176 HydrophobicContact CG2-CG2 4.49Å; I96-D177 PolarHBondContact O-N 2.9Å; I96-I189 HydrophobicContact CG2-CD1 4.35Å
97	D	97.6	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	98.5	165	-172.6	-2.2	0	0	0	109.6	D99 P103 S104 Q105 I135 S136	D97-D99 PolarHBondContact OD1-N 3Å; D97-P103 VanDerWaalsContact OD2-CA 3.29Å; D97-P103 WeakPolarHBondContact OD2-CA 3.27Å; D97-P103 WeakPolarHBondContact OD2-CB 3.28Å; D97-S104 PolarHBondContact OD2-N 2.81Å; D97-Q105 HydrophobicContact CB-CB 3.88Å; D97-Q105 HydrophobicContact CB-CG 3.62Å; D97-Q105 PolarHBondContact OD2-N 3.34Å; D97-I135 PolarHBondContact N-O 2.96Å; D97-S136 WeakPolarHBondContact CB-OG 3.39Å; D97-S136 PolarHBondContact OD2-OG 3.16Å
98	A	95.9	Very high	95.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	20%	0.198	C	C	.	.			trans	-91.4	-0.7	179	0	0	0	0	0	112.8	I96 I100 D177 P179 I189	I96-A98 HydrophobicContact CG2-CB 4.29Å; I96-A98 PolarHBondContact O-N 3.46Å; A98-I100 PolarHBondContact O-N 3.17Å; A98-D177 WeakPolarHBondContact CA-O 3.46Å; A98-D177 WeakPolarHBondContact CB-O 3.26Å; A98-D177 PolarHBondContact N-O 3.44Å; A98-P179 WeakPolarHBondContact O-CG 3.38Å; A98-I189 HydrophobicContact CB-CD1 3.45Å; A98-I189 VanDerWaalsContact CB-CD1 3.45Å
99	D	93.6	Very high	95.6	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.16	19%	0.193	C	C	.	.			trans	-79.1	68.5	174.2	-161.7	-12.6	0	0	0	111	D97 C101 G102 P103	D97-D99 PolarHBondContact OD1-N 3Å; D99-C101 PolarHBondContact O-N 3.36Å; D99-G102 CarbonylContact O-C 3.55Å; D99-G102 VanDerWaalsContact O-C 3.26Å; D99-G102 PolarHBondContact O-N 2.9Å; D99-G102 VanDerWaalsContact O-N 3.08Å; D99-P103 WeakPolarHBondContact O-CA 3.27Å
100	I	91.2	Very high	95.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.9	-173.8	-66.6	167.9	0	0	0	112.8	A98 A137 V148 W150 K155 L158 I159	A98-I100 PolarHBondContact O-N 3.17Å; I100-A137 HydrophobicContact CB-CB 4.36Å; I100-A137 HydrophobicContact CG1-CB 4.3Å; I100-A137 HydrophobicContact CG2-CB 4.13Å; I100-V148 HydrophobicContact CG2-CG1 4.14Å; I100-W150 HydrophobicContact CG2-CE3 3.84Å; I100-W150 HydrophobicContact CG2-CZ3 3.87Å; I100-K155 HydrophobicContact CD1-CB 3.89Å; I100-K155 WeakPolarHBondContact CD1-O 3.49Å; I100-K155 HydrophobicContact CG2-CG 4.22Å; I100-L158 HydrophobicContact CD1-CB 4.11Å; I100-L158 HydrophobicContact CD1-CD2 4.05Å; I100-L158 HydrophobicContact CD1-CG 4.3Å; I100-L158 HydrophobicContact CG1-CD2 4.17Å; I100-L158 HydrophobicContact CG2-CD2 4.45Å; I100-I159 HydrophobicContact CD1-CD1 4.22Å; I100-I159 HydrophobicContact CD1-CG1 3.73Å
101	C	87.3	Confident	95.7	Very high	66 Å²	66	24.9 Å²	24.9	45%	0.446	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-23.8	-176.3	-60.2	0	0	0	0	112.9	D99 K155	D99-C101 PolarHBondContact O-N 3.36Å; C101-K155 PolarHBondContact SG-NZ 2.81Å
102	G	88.7	Confident	95.4	Very high	40 Å²	40	27.2 Å²	27.2	41%	0.412	17%	0.174	S	C	.	.	S	Bend	trans	-145.5	61.7	-179.7	0	0	0	0	0	111.2	D99 S104	D99-G102 CarbonylContact O-C 3.55Å; D99-G102 VanDerWaalsContact O-C 3.26Å; D99-G102 PolarHBondContact O-N 2.9Å; D99-G102 VanDerWaalsContact O-N 3.08Å; G102-S104 PolarHBondContact O-N 3.09Å
103	P	92.1	Very high	95.1	Very high	39 Å²	39	27.5 Å²	27.5	25%	0.253	19%	0.193	S	C	.	.			trans	-64.3	118.3	-175.6	26.2	-33.7	0	0	0	110.1	D97 D99 S136	D97-P103 VanDerWaalsContact OD2-CA 3.29Å; D97-P103 WeakPolarHBondContact OD2-CA 3.27Å; D97-P103 WeakPolarHBondContact OD2-CB 3.28Å; D99-P103 WeakPolarHBondContact O-CA 3.27Å; P103-S136 VanDerWaalsContact CB-OG 3.23Å; P103-S136 WeakPolarHBondContact CB-OG 3.43Å
104	S	94.2	Very high	94.9	Very high	33 Å²	33	32.4 Å²	32.4	23%	0.231	22%	0.215	C	C	.	.			trans	-107.4	-23	-177.9	64	0	0	0	0	113.1	S74 D97 G102 R107 M108	S74-S104 WeakPolarHBondContact CB-OG 3.4Å; S74-S104 PolarHBondContact OG-OG 3.46Å; D97-S104 PolarHBondContact OD2-N 2.81Å; G102-S104 PolarHBondContact O-N 3.09Å; S104-R107 PolarHBondContact O-N 2.96Å; S104-M108 VanDerWaalsContact O-CG 3.29Å; S104-M108 WeakPolarHBondContact O-CG 3.36Å; S104-M108 PolarHBondContact O-N 2.78Å; S104-M108 VanDerWaalsContact O-N 3.07Å
105	Q	97.4	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-42.3	-174	-64.7	-64.7	-9.8	0	0	113.4	S74 I95 D97 R107 M108 L109 D177	S74-Q105 PolarHBondContact O-NE2 3.1Å; I95-Q105 HydrophobicContact CG2-CG 4.16Å; D97-Q105 HydrophobicContact CB-CB 3.88Å; D97-Q105 HydrophobicContact CB-CG 3.62Å; D97-Q105 PolarHBondContact OD2-N 3.34Å; Q105-R107 VanDerWaalsContact C-N 3.27Å; Q105-R107 PolarHBondContact O-N 3.38Å; Q105-M108 PolarHBondContact O-N 2.84Å; Q105-L109 HydrophobicContact CB-CD1 4Å; Q105-L109 VanDerWaalsContact O-CB 3.29Å; Q105-L109 WeakPolarHBondContact O-CB 3.22Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.42Å; Q105-L109 PolarHBondContact O-N 2.57Å; Q105-D177 PolarHBondContact NE2-OD2 3.42Å
106	P	96	Very high	94.4	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-39.2	177	-29.8	37.9	0	0	0	114.1	A111 S112 S136 F139	P106-A111 CarbonylContact O-C 3.48Å; P106-A111 VanDerWaalsContact O-C 3.29Å; P106-A111 WeakPolarHBondContact O-CA 3.49Å; P106-A111 PolarHBondContact O-N 3.23Å; P106-S112 PolarHBondContact O-N 3.13Å; P106-S112 VanDerWaalsContact O-N 3.08Å; P106-S112 PolarHBondContact O-OG 3.14Å; P106-S136 WeakPolarHBondContact CD-OG 3.29Å; P106-F139 HydrophobicContact CB-CD1 3.94Å; P106-F139 HydrophobicContact CB-CE1 3.43Å; P106-F139 VanDerWaalsContact CB-CE1 3.43Å; P106-F139 HydrophobicContact CB-CZ 4.04Å; P106-F139 HydrophobicContact CG-CD1 3.82Å; P106-F139 HydrophobicContact CG-CE1 3.52Å; P106-F139 HydrophobicContact CG-CE2 4.37Å; P106-F139 HydrophobicContact CG-CG 4.37Å; P106-F139 HydrophobicContact CG-CZ 3.81Å
107	R	95.7	Very high	94.1	Very high	129 Å²	129	45.3 Å²	45.3	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-72.8	-49.8	176.4	-177.3	172.9	-67.8	169.2	0.2	111.2	S104 Q105 L109 G110 S112 G287	S104-R107 PolarHBondContact O-N 2.96Å; Q105-R107 VanDerWaalsContact C-N 3.27Å; Q105-R107 PolarHBondContact O-N 3.38Å; R107-L109 PolarHBondContact O-N 2.84Å; R107-G110 PolarHBondContact O-N 2.82Å; R107-S112 VanDerWaalsContact CA-OG 3.27Å; R107-S112 WeakPolarHBondContact CA-OG 3.3Å; R107-S112 PolarHBondContact N-OG 3.24Å; R107-G287 WeakPolarHBondContact O-CA 3.48Å
108	M	97.4	Very high	93.9	Very high	17 Å²	17	53 Å²	53	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-28	-175.9	-64.4	179.5	63.3	0	0	113.9	T75 S104 Q105 C284	T75-M108 HydrophobicContact CG2-CE 4.45Å; S104-M108 VanDerWaalsContact O-CG 3.29Å; S104-M108 WeakPolarHBondContact O-CG 3.36Å; S104-M108 PolarHBondContact O-N 2.78Å; S104-M108 VanDerWaalsContact O-N 3.07Å; Q105-M108 PolarHBondContact O-N 2.84Å; M108-C284 WeakPolarHBondContact CA-O 3.25Å; M108-C284 HydrophobicContact CE-CB 4.02Å; M108-C284 HydrophobicContact CG-CB 4.15Å
109	L	97.8	Very high	93.6	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	178.8	-62.4	167.9	0	0	0	113	I95 Q105 R107 A111 I128 A134	I95-L109 HydrophobicContact CD1-CD1 3.82Å; I95-L109 HydrophobicContact CD1-CD2 3.99Å; Q105-L109 HydrophobicContact CB-CD1 4Å; Q105-L109 VanDerWaalsContact O-CB 3.29Å; Q105-L109 WeakPolarHBondContact O-CB 3.22Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.42Å; Q105-L109 PolarHBondContact O-N 2.57Å; R107-L109 PolarHBondContact O-N 2.84Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-I128 HydrophobicContact CB-CD1 3.78Å; L109-I128 HydrophobicContact CB-CG1 4.09Å; L109-I128 HydrophobicContact CB-CG2 4.03Å; L109-I128 HydrophobicContact CD1-CD1 4.13Å; L109-I128 HydrophobicContact CD1-CG1 4.08Å; L109-I128 HydrophobicContact CG-CG1 4.49Å; L109-I128 WeakPolarHBondContact O-CG2 3.27Å; L109-A134 HydrophobicContact CD1-CB 3.83Å
110	G	96.8	Very high	93.4	Very high	51 Å²	51	63.5 Å²	63.5	53%	0.526	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	20.9	-177.8	0	0	0	0	0	114.3	R107 G287	R107-G110 PolarHBondContact O-N 2.82Å; G110-G287 WeakPolarHBondContact CA-O 3.26Å
111	A	96	Very high	93.4	Very high	7 Å²	7	66.2 Å²	66.2	6%	0.058	39%	0.388	C	S	.	.			trans	-110.7	27.2	-177.9	0	0	0	0	0	112.5	P106 L109 G113 E114 V126 I128 F139	P106-A111 CarbonylContact O-C 3.48Å; P106-A111 VanDerWaalsContact O-C 3.29Å; P106-A111 WeakPolarHBondContact O-CA 3.49Å; P106-A111 PolarHBondContact O-N 3.23Å; L109-A111 VanDerWaalsContact C-N 3.32Å; A111-G113 PolarHBondContact O-N 2.78Å; A111-E114 HydrophobicContact CB-CB 4.41Å; A111-E114 HydrophobicContact CB-CG 3.93Å; A111-E114 WeakPolarHBondContact O-CB 3.49Å; A111-E114 WeakPolarHBondContact O-CG 3.32Å; A111-E114 PolarHBondContact O-N 3.38Å; A111-V126 HydrophobicContact CB-CG1 4.08Å; A111-I128 HydrophobicContact CB-CD1 3.48Å; A111-I128 VanDerWaalsContact CB-CD1 3.48Å; A111-F139 HydrophobicContact CB-CE1 3.89Å; A111-F139 HydrophobicContact CB-CZ 4.19Å; A111-F139 WeakPolarHBondContact O-CE1 3.45Å
112	S	92.9	Very high	93.7	Very high	76 Å²	76	63.7 Å²	63.7	53%	0.531	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	130.8	175.5	-66.8	0	0	0	0	110.3	P106 R107	P106-S112 PolarHBondContact O-N 3.13Å; P106-S112 VanDerWaalsContact O-N 3.08Å; P106-S112 PolarHBondContact O-OG 3.14Å; R107-S112 VanDerWaalsContact CA-OG 3.27Å; R107-S112 WeakPolarHBondContact CA-OG 3.3Å; R107-S112 PolarHBondContact N-OG 3.24Å
113	G	91	Very high	94.1	Very high	73 Å²	73	63.5 Å²	63.5	75%	0.753	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-12	-175.8	0	0	0	0	0	114.1	A111	A111-G113 PolarHBondContact O-N 2.78Å
114	E	94.2	Very high	94.3	Very high	104 Å²	104	63.7 Å²	63.7	49%	0.486	36%	0.362	S	S	.	.			trans	-67.1	153.2	169.6	-65.1	-58.6	141.3	0	0	111.4	A111 V126 F139	A111-E114 HydrophobicContact CB-CB 4.41Å; A111-E114 HydrophobicContact CB-CG 3.93Å; A111-E114 WeakPolarHBondContact O-CB 3.49Å; A111-E114 WeakPolarHBondContact O-CG 3.32Å; A111-E114 PolarHBondContact O-N 3.38Å; E114-V126 HydrophobicContact CB-CG1 3.62Å; E114-V126 HydrophobicContact CB-CG2 4.08Å; E114-V126 HydrophobicContact CG-CG1 3.81Å; E114-F139 HydrophobicContact CB-CD1 4.26Å; E114-F139 HydrophobicContact CB-CE1 4.37Å
115	Q	93.1	Very high	94.5	Very high	122 Å²	122	62.5 Å²	62.5	57%	0.57	35%	0.354	S	S	*	.			trans	-130.4	144.4	-177.1	-65.7	-176.1	1.3	0	0	111.3	H117	Q115-H117 PolarHBondContact O-N 3.27Å
116	V	94.1	Very high	94.5	Very high	23 Å²	23	63 Å²	63	14%	0.139	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.7	128.4	172.3	-176.5	0	0	0	0	109.2	W123 I135 F139 L140	V116-W123 HydrophobicContact CG1-CB 3.69Å; V116-W123 HydrophobicContact CG1-CD2 4.27Å; V116-W123 HydrophobicContact CG1-CG 3.94Å; V116-I135 HydrophobicContact CB-CD1 4.39Å; V116-I135 HydrophobicContact CG1-CD1 3.98Å; V116-I135 HydrophobicContact CG2-CD1 3.46Å; V116-I135 VanDerWaalsContact CG2-CD1 3.46Å; V116-F139 HydrophobicContact CG2-CB 3.55Å; V116-F139 PolarHBondContact N-O 3.17Å; V116-L140 HydrophobicContact CB-CD2 3.64Å; V116-L140 HydrophobicContact CG1-CD2 4.27Å; V116-L140 HydrophobicContact CG2-CD2 3.58Å; V116-L140 HydrophobicContact CG2-CG 4.06Å
117	H	93.1	Very high	94.6	Very high	125 Å²	125	69.2 Å²	69.2	58%	0.579	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.9	172.8	-64.4	-54.3	0	0	0	111.1	Q115 W123 S124	Q115-H117 PolarHBondContact O-N 3.27Å; H117-W123 WeakPolarHBondContact O-CA 3.48Å; H117-S124 PolarHBondContact O-N 3.24Å
118	Q	93.3	Very high	94.6	Very high	161 Å²	161	64.8 Å²	64.8	75%	0.752	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	124.3	174.2	-174.3	170.9	17	0	0	109.9
119	S	90.3	Very high	94.6	Very high	49 Å²	49	66.7 Å²	66.7	34%	0.343	37%	0.374	S	S	.	.			trans	-112.2	-177.7	175	82.5	0	0	0	0	110.6	S121 G122	S119-S121 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact OG-N 3.17Å; S119-S121 VanDerWaalsContact OG-N 3.09Å; S119-S121 PolarHBondContact OG-OG 3.08Å; S119-G122 PolarHBondContact N-O 2.94Å; S119-G122 PolarHBondContact OG-N 2.92Å; S119-G122 PolarHBondContact OG-O 3.5Å
120	M	89.5	Confident	94.5	Very high	204 Å²	204	75.5 Å²	75.5	100%	1.005	42%	0.415	S	S	*	.	S	Bend	trans	-68	-26.9	171.6	-73.9	-173.3	54.9	0	0	113.5
121	S	90	Very high	94.6	Very high	57 Å²	57	74.1 Å²	74.1	40%	0.399	40%	0.396	S	S	.	.	S	Bend	trans	-87.9	-13.9	-178.3	56.8	0	0	0	0	113.2	R54 S119 D167	R54-S121 PolarHBondContact NH2-O 3.37Å; S119-S121 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact OG-N 3.17Å; S119-S121 VanDerWaalsContact OG-N 3.09Å; S119-S121 PolarHBondContact OG-OG 3.08Å; S121-D167 WeakPolarHBondContact CB-OD2 3.3Å; S121-D167 PolarHBondContact OG-OD2 2.87Å
122	G	94.2	Very high	94.7	Very high	14 Å²	14	73.8 Å²	73.8	14%	0.144	39%	0.393	C	S	.	.	S	Bend	trans	144.3	-154.6	-179	0	0	0	0	0	112.9	S119 D165	S119-G122 PolarHBondContact N-O 2.94Å; S119-G122 PolarHBondContact OG-N 2.92Å; S119-G122 PolarHBondContact OG-O 3.5Å; G122-D165 CarbonylContact C-O 3.45Å; G122-D165 WeakPolarHBondContact CA-O 3.36Å
123	W	96.6	Very high	95	Very high	36 Å²	36	70.2 Å²	70.2	14%	0.136	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.2	168.7	-68.9	-6.4	0	0	0	109.8	V116 H117 L140 L158 Q161 F162 D165 V166 D167	V116-W123 HydrophobicContact CG1-CB 3.69Å; V116-W123 HydrophobicContact CG1-CD2 4.27Å; V116-W123 HydrophobicContact CG1-CG 3.94Å; H117-W123 WeakPolarHBondContact O-CA 3.48Å; W123-L140 HydrophobicContact CH2-CD1 4.18Å; W123-L140 HydrophobicContact CZ3-CD1 3.99Å; W123-L158 HydrophobicContact CH2-CD1 3.77Å; W123-L158 HydrophobicContact CZ3-CD1 3.75Å; W123-Q161 HydrophobicContact CH2-CB 3.8Å; W123-Q161 HydrophobicContact CH2-CG 4.32Å; W123-Q161 HydrophobicContact CZ3-CB 3.8Å; W123-F162 HydrophobicContact CE3-CD1 4.31Å; W123-F162 HydrophobicContact CE3-CE1 4.49Å; W123-F162 AromaticContact CZ3-CD1 3.92Å; W123-F162 HydrophobicContact CZ3-CD1 3.92Å; W123-F162 AromaticContact CZ3-CE1 3.93Å; W123-F162 HydrophobicContact CZ3-CE1 3.93Å; W123-D165 PolarHBondContact N-O 2.87Å; W123-V166 HydrophobicContact CB-CG2 4.17Å; W123-V166 HydrophobicContact CE3-CG2 4.21Å; W123-V166 CarbonylContact O-C 3.44Å; W123-V166 WeakPolarHBondContact O-CA 3.16Å; W123-D167 PolarHBondContact O-N 3.34Å
124	S	96.7	Very high	95.3	Very high	42 Å²	42	66.8 Å²	66.8	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.5	171	-63	0	0	0	0	109.1	H117	H117-S124 PolarHBondContact O-N 3.24Å
125	P	97.5	Very high	95.5	Very high	9 Å²	9	61.8 Å²	61.8	6%	0.058	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-65.6	159.5	173	31	-35.3	0	0	0	110.2	Y127 C133 V166 D167 W168	P125-Y127 HydrophobicContact CG-CE2 4.22Å; P125-C133 HydrophobicContact CB-CB 4.01Å; P125-C133 HydrophobicContact CG-CB 4.02Å; P125-V166 HydrophobicContact CB-CG1 4.1Å; P125-V166 HydrophobicContact CG-CG1 4.35Å; P125-D167 WeakPolarHBondContact CD-O 3.48Å; P125-W168 HydrophobicContact CB-CE3 4.43Å; P125-W168 HydrophobicContact CB-CZ3 4.18Å; P125-W168 HydrophobicContact CG-CE3 4.45Å
126	V	97.6	Very high	95.7	Very high	10 Å²	10	56 Å²	56	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.2	174.5	176.1	0	0	0	0	108.2	A111 E114 I128 C133 A134 F139	A111-V126 HydrophobicContact CB-CG1 4.08Å; E114-V126 HydrophobicContact CB-CG1 3.62Å; E114-V126 HydrophobicContact CB-CG2 4.08Å; E114-V126 HydrophobicContact CG-CG1 3.81Å; V126-I128 HydrophobicContact CG1-CD1 4.27Å; V126-C133 CarbonylContact O-C 3.52Å; V126-C133 VanDerWaalsContact O-CA 3.23Å; V126-C133 WeakPolarHBondContact O-CA 3.46Å; V126-A134 PolarHBondContact N-O 3.27Å; V126-A134 PolarHBondContact O-N 2.79Å; V126-F139 HydrophobicContact CB-CD2 4.16Å; V126-F139 HydrophobicContact CB-CE1 4.35Å; V126-F139 HydrophobicContact CB-CE2 3.88Å; V126-F139 HydrophobicContact CB-CZ 3.98Å; V126-F139 HydrophobicContact CG1-CE1 4.27Å; V126-F139 HydrophobicContact CG1-CZ 4.18Å; V126-F139 HydrophobicContact CG2-CB 4.25Å; V126-F139 HydrophobicContact CG2-CD1 4.03Å; V126-F139 HydrophobicContact CG2-CD2 3.68Å; V126-F139 HydrophobicContact CG2-CE1 4.24Å; V126-F139 HydrophobicContact CG2-CE2 3.94Å; V126-F139 HydrophobicContact CG2-CG 3.75Å; V126-F139 HydrophobicContact CG2-CZ 4.21Å
127	Y	97.8	Very high	95.6	Very high	140 Å²	140	54.9 Å²	54.9	55%	0.549	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.7	176.3	-78.2	-98	0	0	0	110.2	P125 C133	P125-Y127 HydrophobicContact CG-CE2 4.22Å; Y127-C133 HydrophobicContact CD1-CB 3.96Å; Y127-C133 HydrophobicContact CD2-CB 4.35Å; Y127-C133 HydrophobicContact CE1-CB 4.06Å; Y127-C133 HydrophobicContact CE2-CB 4.45Å; Y127-C133 HydrophobicContact CG-CB 4.12Å
128	I	97.7	Very high	95.6	Very high	35 Å²	35	50.2 Å²	50.2	18%	0.179	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-41.4	177.3	-48.4	-55.9	0	0	0	109.7	L109 A111 V126 L132 A134	L109-I128 HydrophobicContact CB-CD1 3.78Å; L109-I128 HydrophobicContact CB-CG1 4.09Å; L109-I128 HydrophobicContact CB-CG2 4.03Å; L109-I128 HydrophobicContact CD1-CD1 4.13Å; L109-I128 HydrophobicContact CD1-CG1 4.08Å; L109-I128 HydrophobicContact CG-CG1 4.49Å; L109-I128 WeakPolarHBondContact O-CG2 3.27Å; A111-I128 HydrophobicContact CB-CD1 3.48Å; A111-I128 VanDerWaalsContact CB-CD1 3.48Å; V126-I128 HydrophobicContact CG1-CD1 4.27Å; I128-L132 HydrophobicContact CB-CD2 4.27Å; I128-L132 HydrophobicContact CB-CG 4.21Å; I128-L132 HydrophobicContact CG1-CG 4.45Å; I128-L132 HydrophobicContact CG2-CD2 4.4Å; I128-L132 PolarHBondContact N-O 2.68Å; I128-A134 HydrophobicContact CD1-CB 4.42Å; I128-A134 HydrophobicContact CG1-CB 4.38Å
129	E	96	Very high	95.6	Very high	57 Å²	57	42.9 Å²	42.9	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	174.5	174.9	-56.9	174.3	-153.5	0	0	107.6	R82 N131 L132	R82-E129 IonicContact CZ-OE1 2.94Å; R82-E129 IonicContact NH1-OE1 2.96Å; R82-E129 PolarHBondContact NH1-OE1 3.36Å; E129-N131 PolarHBondContact O-N 2.89Å; E129-L132 HydrophobicContact CB-CB 4.04Å; E129-L132 HydrophobicContact CG-CB 4.46Å; E129-L132 PolarHBondContact N-O 2.73Å; E129-L132 VanDerWaalsContact N-O 3.16Å; E129-L132 PolarHBondContact O-N 3.41Å
130	E	96.3	Very high	95.6	Very high	191 Å²	191	43.8 Å²	43.8	89%	0.893	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.5	-178.9	-67	-173.8	171.6	0	0	112.8
131	N	98.1	Very high	95.2	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.112	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	11.8	-177	74.1	-30.7	0	0	0	113.8	A85 F88 Y91 V93 E129	A85-N131 PolarHBondContact O-ND2 3.09Å; F88-N131 PolarHBondContact O-ND2 3Å; Y91-N131 VanDerWaalsContact O-CB 3.27Å; Y91-N131 WeakPolarHBondContact O-CB 3.23Å; Y91-N131 PolarHBondContact O-ND2 2.67Å; V93-N131 PolarHBondContact N-O 3.15Å; E129-N131 PolarHBondContact O-N 2.89Å
132	L	98.6	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.1	178	178.9	61.8	0	0	0	110.7	A81 R82 A85 V93 I95 I128 E129	A81-L132 HydrophobicContact CB-CD1 3.88Å; R82-L132 HydrophobicContact CG-CD2 3.93Å; A85-L132 HydrophobicContact CB-CB 4.23Å; V93-L132 HydrophobicContact CB-CD1 3.86Å; V93-L132 HydrophobicContact CG1-CD1 3.87Å; V93-L132 WeakPolarHBondContact O-CA 3.44Å; I95-L132 HydrophobicContact CD1-CD1 4.18Å; I95-L132 HydrophobicContact CG1-CD1 4.29Å; I128-L132 HydrophobicContact CB-CD2 4.27Å; I128-L132 HydrophobicContact CB-CG 4.21Å; I128-L132 HydrophobicContact CG1-CG 4.45Å; I128-L132 HydrophobicContact CG2-CD2 4.4Å; I128-L132 PolarHBondContact N-O 2.68Å; E129-L132 HydrophobicContact CB-CB 4.04Å; E129-L132 HydrophobicContact CG-CB 4.46Å; E129-L132 PolarHBondContact N-O 2.73Å; E129-L132 VanDerWaalsContact N-O 3.16Å; E129-L132 PolarHBondContact O-N 3.41Å
133	C	98.6	Very high	92.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.3	177.9	68.2	0	0	0	0	112.3	V93 G94 I95 P125 V126 Y127	V93-C133 PolarHBondContact O-N 2.86Å; G94-C133 CarbonylContact C-O 3.56Å; G94-C133 VanDerWaalsContact CA-O 3.31Å; G94-C133 WeakPolarHBondContact CA-O 3.5Å; I95-C133 PolarHBondContact N-O 3.5Å; P125-C133 HydrophobicContact CB-CB 4.01Å; P125-C133 HydrophobicContact CG-CB 4.02Å; V126-C133 CarbonylContact O-C 3.52Å; V126-C133 VanDerWaalsContact O-CA 3.23Å; V126-C133 WeakPolarHBondContact O-CA 3.46Å; Y127-C133 HydrophobicContact CD1-CB 3.96Å; Y127-C133 HydrophobicContact CD2-CB 4.35Å; Y127-C133 HydrophobicContact CE1-CB 4.06Å; Y127-C133 HydrophobicContact CE2-CB 4.45Å; Y127-C133 HydrophobicContact CG-CB 4.12Å
134	A	98.6	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.8	-177.7	0	0	0	0	0	112.6	I95 L109 V126 I128 F139	I95-A134 HydrophobicContact CB-CB 4.01Å; I95-A134 CarbonylContact O-C 3.5Å; I95-A134 VanDerWaalsContact O-CA 3.3Å; I95-A134 WeakPolarHBondContact O-CA 3.14Å; L109-A134 HydrophobicContact CD1-CB 3.83Å; V126-A134 PolarHBondContact N-O 3.27Å; V126-A134 PolarHBondContact O-N 2.79Å; I128-A134 HydrophobicContact CD1-CB 4.42Å; I128-A134 HydrophobicContact CG1-CB 4.38Å; A134-F139 HydrophobicContact CB-CE2 4.01Å; A134-F139 HydrophobicContact CB-CZ 4.34Å
135	I	98.1	Very high	90	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.6	164.5	-163	72.2	0	0	0	109.4	I95 I96 D97 V116 F162 V166 W168	I95-I135 PolarHBondContact O-N 3.5Å; I96-I135 HydrophobicContact CB-CG2 4.25Å; I96-I135 HydrophobicContact CG1-CG2 3.86Å; I96-I135 HydrophobicContact CG2-CG2 4.22Å; D97-I135 PolarHBondContact N-O 2.96Å; V116-I135 HydrophobicContact CB-CD1 4.39Å; V116-I135 HydrophobicContact CG1-CD1 3.98Å; V116-I135 HydrophobicContact CG2-CD1 3.46Å; V116-I135 VanDerWaalsContact CG2-CD1 3.46Å; I135-F162 HydrophobicContact CB-CD1 4.46Å; I135-F162 HydrophobicContact CD1-CE1 4.39Å; I135-F162 HydrophobicContact CG1-CD1 3.48Å; I135-F162 VanDerWaalsContact CG1-CD1 3.48Å; I135-F162 HydrophobicContact CG1-CE1 3.5Å; I135-F162 HydrophobicContact CG1-CG 4.22Å; I135-F162 HydrophobicContact CG1-CZ 4.26Å; I135-F162 HydrophobicContact CG2-CB 4.12Å; I135-F162 HydrophobicContact CG2-CD1 4.07Å; I135-F162 HydrophobicContact CG2-CD2 4.32Å; I135-F162 HydrophobicContact CG2-CG 3.94Å; I135-V166 HydrophobicContact CB-CG2 4.3Å; I135-V166 HydrophobicContact CD1-CG2 4.06Å; I135-V166 HydrophobicContact CG1-CG2 3.82Å; I135-V166 HydrophobicContact CG2-CG2 4.41Å; I135-W168 HydrophobicContact CB-CH2 4.08Å; I135-W168 HydrophobicContact CB-CZ2 4.44Å; I135-W168 HydrophobicContact CG2-CH2 3.62Å; I135-W168 HydrophobicContact CG2-CZ2 3.74Å
136	S	96.2	Very high	88.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	151.8	179.6	179	0	0	0	0	110.2	D97 P103 P106 G138 F139	D97-S136 WeakPolarHBondContact CB-OG 3.39Å; D97-S136 PolarHBondContact OD2-OG 3.16Å; P103-S136 VanDerWaalsContact CB-OG 3.23Å; P103-S136 WeakPolarHBondContact CB-OG 3.43Å; P106-S136 WeakPolarHBondContact CD-OG 3.29Å; S136-G138 PolarHBondContact O-N 3.46Å; S136-G138 PolarHBondContact OG-N 3.34Å; S136-G138 VanDerWaalsContact OG-N 3.14Å; S136-F139 VanDerWaalsContact N-CD2 3.33Å; S136-F139 PolarHBondContact O-N 3Å; S136-F139 VanDerWaalsContact O-N 3.13Å
137	A	93	Very high	87.4	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.9	169	0	0	0	0	0	111.4	I100 F139 L140 I141 L158	I100-A137 HydrophobicContact CB-CB 4.36Å; I100-A137 HydrophobicContact CG1-CB 4.3Å; I100-A137 HydrophobicContact CG2-CB 4.13Å; A137-F139 PolarHBondContact O-N 2.98Å; A137-L140 WeakPolarHBondContact O-CB 3.03Å; A137-L140 PolarHBondContact O-N 3.48Å; A137-I141 HydrophobicContact CB-CD1 4.1Å; A137-I141 WeakPolarHBondContact O-CD1 3.33Å; A137-I141 WeakPolarHBondContact O-CG1 3.46Å; A137-I141 PolarHBondContact O-N 2.84Å; A137-I141 VanDerWaalsContact O-N 3.1Å; A137-L158 HydrophobicContact CB-CD2 4.05Å
138	G	92.5	Very high	86.2	Confident	26 Å²	26	49.5 Å²	49.5	27%	0.268	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.8	177.8	0	0	0	0	0	114.7	S136	S136-G138 PolarHBondContact O-N 3.46Å; S136-G138 PolarHBondContact OG-N 3.34Å; S136-G138 VanDerWaalsContact OG-N 3.14Å
139	F	93.8	Very high	85.1	Confident	7 Å²	7	55.1 Å²	55.1	3%	0.031	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-87	-9.3	170.9	-55.7	-45.6	0	0	0	113.2	P106 A111 E114 V116 V126 A134 S136 A137	P106-F139 HydrophobicContact CB-CD1 3.94Å; P106-F139 HydrophobicContact CB-CE1 3.43Å; P106-F139 VanDerWaalsContact CB-CE1 3.43Å; P106-F139 HydrophobicContact CB-CZ 4.04Å; P106-F139 HydrophobicContact CG-CD1 3.82Å; P106-F139 HydrophobicContact CG-CE1 3.52Å; P106-F139 HydrophobicContact CG-CE2 4.37Å; P106-F139 HydrophobicContact CG-CG 4.37Å; P106-F139 HydrophobicContact CG-CZ 3.81Å; A111-F139 HydrophobicContact CB-CE1 3.89Å; A111-F139 HydrophobicContact CB-CZ 4.19Å; A111-F139 WeakPolarHBondContact O-CE1 3.45Å; E114-F139 HydrophobicContact CB-CD1 4.26Å; E114-F139 HydrophobicContact CB-CE1 4.37Å; V116-F139 HydrophobicContact CG2-CB 3.55Å; V116-F139 PolarHBondContact N-O 3.17Å; V126-F139 HydrophobicContact CB-CD2 4.16Å; V126-F139 HydrophobicContact CB-CE1 4.35Å; V126-F139 HydrophobicContact CB-CE2 3.88Å; V126-F139 HydrophobicContact CB-CZ 3.98Å; V126-F139 HydrophobicContact CG1-CE1 4.27Å; V126-F139 HydrophobicContact CG1-CZ 4.18Å; V126-F139 HydrophobicContact CG2-CB 4.25Å; V126-F139 HydrophobicContact CG2-CD1 4.03Å; V126-F139 HydrophobicContact CG2-CD2 3.68Å; V126-F139 HydrophobicContact CG2-CE1 4.24Å; V126-F139 HydrophobicContact CG2-CE2 3.94Å; V126-F139 HydrophobicContact CG2-CG 3.75Å; V126-F139 HydrophobicContact CG2-CZ 4.21Å; A134-F139 HydrophobicContact CB-CE2 4.01Å; A134-F139 HydrophobicContact CB-CZ 4.34Å; S136-F139 VanDerWaalsContact N-CD2 3.33Å; S136-F139 PolarHBondContact O-N 3Å; S136-F139 VanDerWaalsContact O-N 3.13Å; A137-F139 PolarHBondContact O-N 2.98Å
140	L	89.8	Confident	84.4	Confident	69 Å²	69	55.5 Å²	55.5	36%	0.361	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-21.2	-179.2	-63.4	175	0	0	0	112.4	V116 W123 A137 L158 F162	V116-L140 HydrophobicContact CB-CD2 3.64Å; V116-L140 HydrophobicContact CG1-CD2 4.27Å; V116-L140 HydrophobicContact CG2-CD2 3.58Å; V116-L140 HydrophobicContact CG2-CG 4.06Å; W123-L140 HydrophobicContact CH2-CD1 4.18Å; W123-L140 HydrophobicContact CZ3-CD1 3.99Å; A137-L140 WeakPolarHBondContact O-CB 3.03Å; A137-L140 PolarHBondContact O-N 3.48Å; L140-L158 HydrophobicContact CD1-CD1 3.61Å; L140-L158 HydrophobicContact CD1-CD2 4.21Å; L140-F162 HydrophobicContact CD1-CE1 3.88Å; L140-F162 HydrophobicContact CD1-CZ 4.25Å
141	I	81.5	Confident	83.7	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.149	33%	0.325	C	S	.	.	S	Bend	trans	-97.5	121.9	-179.4	-58	155.5	0	0	0	107	A137 S143 V148 W150	A137-I141 HydrophobicContact CB-CD1 4.1Å; A137-I141 WeakPolarHBondContact O-CD1 3.33Å; A137-I141 WeakPolarHBondContact O-CG1 3.46Å; A137-I141 PolarHBondContact O-N 2.84Å; A137-I141 VanDerWaalsContact O-N 3.1Å; I141-S143 WeakPolarHBondContact CG2-O 3.45Å; I141-S143 PolarHBondContact O-N 3.14Å; I141-S143 VanDerWaalsContact O-N 3.1Å; I141-V148 HydrophobicContact CD1-CG1 4.35Å; I141-V148 HydrophobicContact CD1-CG2 3.35Å; I141-W150 HydrophobicContact CD1-CH2 4.22Å; I141-W150 HydrophobicContact CD1-CZ2 4.32Å; I141-W150 HydrophobicContact CG1-CH2 4.08Å; I141-W150 HydrophobicContact CG1-CZ2 4.02Å
142	G	67.2	Low	83.1	Confident	84 Å²	84	56.9 Å²	56.9	87%	0.866	33%	0.332	S	S	*	.	S	Bend	trans	-67.1	-9.8	-172.9	0	0	0	0	0	115.8
143	S	68.1	Low	82.4	Confident	46 Å²	46	62 Å²	62	32%	0.322	37%	0.365	S	S	.	.			trans	-138.9	130.8	178.7	175.2	0	0	0	0	110.4	I141 D145	I141-S143 WeakPolarHBondContact CG2-O 3.45Å; I141-S143 PolarHBondContact O-N 3.14Å; I141-S143 VanDerWaalsContact O-N 3.1Å; S143-D145 PolarHBondContact O-N 3.21Å; S143-D145 PolarHBondContact OG-N 2.88Å
144	S	65.3	Low	81.9	Confident	96 Å²	96	67.3 Å²	67.3	67%	0.671	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.4	178.4	59.9	0	0	0	0	113.9
145	D	67.6	Low	81.5	Confident	135 Å²	135	68.7 Å²	68.7	72%	0.722	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.5	-169.5	-63.6	-7.6	0	0	0	112.5	S143	S143-D145 PolarHBondContact O-N 3.21Å; S143-D145 PolarHBondContact OG-N 2.88Å
146	E	70.9	Confident	81.1	Confident	132 Å²	132	70.5 Å²	70.5	62%	0.617	40%	0.403	S	S	*	.	S	Bend	trans	-77.8	123.9	174.6	-75.2	-172.8	-176.4	0	0	110.9	V148	E146-V148 PolarHBondContact O-N 3.1Å
147	A	69.5	Low	80.8	Confident	84 Å²	84	71.9 Å²	71.9	69%	0.694	42%	0.418	S	S	*	.			trans	-61.3	123.3	174.9	0	0	0	0	0	110.4	I149	A147-I149 VanDerWaalsContact C-N 3.31Å; A147-I149 HydrophobicContact CB-CD1 4.44Å; A147-I149 HydrophobicContact CB-CG1 4.12Å; A147-I149 PolarHBondContact O-N 3.49Å
148	V	72.2	Confident	80.8	Confident	25 Å²	25	72.3 Å²	72.3	15%	0.152	42%	0.42	C	S	.	.			trans	-76.3	83.3	177.4	-172.4	0	0	0	0	110	I100 I141 E146 W150	I100-V148 HydrophobicContact CG2-CG1 4.14Å; I141-V148 HydrophobicContact CD1-CG1 4.35Å; I141-V148 HydrophobicContact CD1-CG2 3.35Å; E146-V148 PolarHBondContact O-N 3.1Å; V148-W150 VanDerWaalsContact C-N 3.31Å; V148-W150 HydrophobicContact CG1-CB 4.27Å; V148-W150 HydrophobicContact CG1-CD2 3.46Å; V148-W150 VanDerWaalsContact CG1-CD2 3.46Å; V148-W150 HydrophobicContact CG1-CE3 3.79Å; V148-W150 HydrophobicContact CG1-CG 3.69Å; V148-W150 HydrophobicContact CG1-CH2 4.45Å; V148-W150 HydrophobicContact CG1-CZ2 4.18Å; V148-W150 HydrophobicContact CG1-CZ3 4.25Å; V148-W150 PolarHBondContact O-N 3.38Å; V148-W150 VanDerWaalsContact O-N 3.12Å
149	I	75.9	Confident	80.9	Confident	154 Å²	154	71.1 Å²	71.1	79%	0.79	41%	0.407	S	S	*	.			trans	-89.3	72.2	177.8	-50.9	175	0	0	0	109	A147	A147-I149 VanDerWaalsContact C-N 3.31Å; A147-I149 HydrophobicContact CB-CD1 4.44Å; A147-I149 HydrophobicContact CB-CG1 4.12Å; A147-I149 PolarHBondContact O-N 3.49Å
150	W	81.2	Confident	81	Confident	65 Å²	65	73.2 Å²	73.2	25%	0.246	42%	0.416	C	S	.	.			trans	-106.6	143.2	177.8	-66.2	-1.9	0	0	0	111.5	I100 I141 V148 K154 K155 L158	I100-W150 HydrophobicContact CG2-CE3 3.84Å; I100-W150 HydrophobicContact CG2-CZ3 3.87Å; I141-W150 HydrophobicContact CD1-CH2 4.22Å; I141-W150 HydrophobicContact CD1-CZ2 4.32Å; I141-W150 HydrophobicContact CG1-CH2 4.08Å; I141-W150 HydrophobicContact CG1-CZ2 4.02Å; V148-W150 VanDerWaalsContact C-N 3.31Å; V148-W150 HydrophobicContact CG1-CB 4.27Å; V148-W150 HydrophobicContact CG1-CD2 3.46Å; V148-W150 VanDerWaalsContact CG1-CD2 3.46Å; V148-W150 HydrophobicContact CG1-CE3 3.79Å; V148-W150 HydrophobicContact CG1-CG 3.69Å; V148-W150 HydrophobicContact CG1-CH2 4.45Å; V148-W150 HydrophobicContact CG1-CZ2 4.18Å; V148-W150 HydrophobicContact CG1-CZ3 4.25Å; V148-W150 PolarHBondContact O-N 3.38Å; V148-W150 VanDerWaalsContact O-N 3.12Å; W150-K154 HydrophobicContact CB-CB 4.46Å; W150-K154 HydrophobicContact CB-CD 4.11Å; W150-K154 HydrophobicContact CD2-CD 3.83Å; W150-K154 HydrophobicContact CD2-CG 4.35Å; W150-K154 VanDerWaalsContact CE2-NZ 3.3Å; W150-K154 HydrophobicContact CE3-CD 4.22Å; W150-K154 HydrophobicContact CE3-CG 4.26Å; W150-K154 HydrophobicContact CG-CD 3.76Å; W150-K154 HydrophobicContact CG-CG 4.47Å; W150-K155 HydrophobicContact CB-CG 4.01Å; W150-K155 WeakPolarHBondContact O-CE 3.5Å; W150-L158 HydrophobicContact CH2-CD2 4.28Å; W150-L158 HydrophobicContact CZ3-CD2 3.61Å
151	R	81.4	Confident	81.2	Confident	217 Å²	217	73.1 Å²	73.1	82%	0.819	41%	0.414	S	S	*	.			trans	-72.9	149.6	174	-63.8	-172.5	176.2	-167.3	-1.2	110.5	K154 K155	R151-K154 WeakPolarHBondContact O-CB 3.4Å; R151-K154 PolarHBondContact O-N 2.89Å; R151-K155 PolarHBondContact O-N 2.92Å
152	G	84.3	Confident	81.9	Confident	24 Å²	24	71.8 Å²	71.8	25%	0.247	41%	0.407	C	S	.	.	H	α-helix	trans	-44.6	-48.2	-178.8	0	0	0	0	0	115.1	K154 K155 N156	G152-K154 VanDerWaalsContact C-N 3.27Å; G152-K154 PolarHBondContact O-N 2.92Å; G152-K155 PolarHBondContact O-N 3.2Å; G152-K155 VanDerWaalsContact O-N 3.11Å; G152-N156 PolarHBondContact O-N 3.04Å
153	P	85.1	Confident	83.3	Confident	106 Å²	106	67.8 Å²	67.8	69%	0.688	37%	0.366	S	S	*	.	H	α-helix	trans	-57.9	-34.9	177.8	-28	36	0	0	0	114.5	G157	P153-G157 PolarHBondContact O-N 3.31Å
154	K	87.4	Confident	84.6	Confident	115 Å²	115	67.9 Å²	67.9	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-70	-41.6	177.8	-175.6	177.3	176.5	-171.3	0	111	W150 R151 G152 G157 L158	W150-K154 HydrophobicContact CB-CB 4.46Å; W150-K154 HydrophobicContact CB-CD 4.11Å; W150-K154 HydrophobicContact CD2-CD 3.83Å; W150-K154 HydrophobicContact CD2-CG 4.35Å; W150-K154 VanDerWaalsContact CE2-NZ 3.3Å; W150-K154 HydrophobicContact CE3-CD 4.22Å; W150-K154 HydrophobicContact CE3-CG 4.26Å; W150-K154 HydrophobicContact CG-CD 3.76Å; W150-K154 HydrophobicContact CG-CG 4.47Å; R151-K154 WeakPolarHBondContact O-CB 3.4Å; R151-K154 PolarHBondContact O-N 2.89Å; G152-K154 VanDerWaalsContact C-N 3.27Å; G152-K154 PolarHBondContact O-N 2.92Å; K154-G157 PolarHBondContact O-N 3.48Å; K154-L158 PolarHBondContact O-N 3.28Å
155	K	89.8	Confident	86.1	Confident	29 Å²	29	65 Å²	65	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-46.2	177	-55.3	-178.6	-161.9	179.3	0	111.4	I100 C101 W150 R151 G152 G157 L158 I159 E185	I100-K155 HydrophobicContact CD1-CB 3.89Å; I100-K155 WeakPolarHBondContact CD1-O 3.49Å; I100-K155 HydrophobicContact CG2-CG 4.22Å; C101-K155 PolarHBondContact SG-NZ 2.81Å; W150-K155 HydrophobicContact CB-CG 4.01Å; W150-K155 WeakPolarHBondContact O-CE 3.5Å; R151-K155 PolarHBondContact O-N 2.92Å; G152-K155 PolarHBondContact O-N 3.2Å; G152-K155 VanDerWaalsContact O-N 3.11Å; K155-G157 VanDerWaalsContact C-N 3.27Å; K155-G157 PolarHBondContact O-N 3.5Å; K155-L158 WeakPolarHBondContact O-CB 3.28Å; K155-L158 PolarHBondContact O-N 3.18Å; K155-L158 VanDerWaalsContact O-N 3.08Å; K155-I159 WeakPolarHBondContact O-CG1 2.83Å; K155-I159 PolarHBondContact O-N 3.41Å; K155-E185 HydrophobicContact CB-CG 4.02Å; K155-E185 HydrophobicContact CD-CG 3.93Å; K155-E185 WeakPolarHBondContact CD-OE1 3.47Å; K155-E185 WeakPolarHBondContact CE-OE1 3.25Å; K155-E185 IonicContact NZ-OE1 2.66Å; K155-E185 PolarHBondContact NZ-OE1 3.32Å
156	N	89.7	Confident	87.5	Confident	38 Å²	38	58.6 Å²	58.6	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-37.8	175.6	-66.6	-4.7	0	0	0	111.5	G152 I159 K160 T188	G152-N156 PolarHBondContact O-N 3.04Å; N156-I159 PolarHBondContact O-N 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.46Å; N156-K160 PolarHBondContact O-N 3.28Å; N156-K160 VanDerWaalsContact O-N 3.13Å; N156-T188 HydrophobicContact CB-CG2 4.04Å; N156-T188 VanDerWaalsContact CG-OG1 3.32Å; N156-T188 PolarHBondContact ND2-OG1 2.89Å; N156-T188 PolarHBondContact OD1-OG1 2.88Å
157	G	91.2	Very high	88.8	Confident	29 Å²	29	54.6 Å²	54.6	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-50.2	170.4	0	0	0	0	0	111.7	P153 K154 K155 I159 K160 Q161	P153-G157 PolarHBondContact O-N 3.31Å; K154-G157 PolarHBondContact O-N 3.48Å; K155-G157 VanDerWaalsContact C-N 3.27Å; K155-G157 PolarHBondContact O-N 3.5Å; G157-I159 PolarHBondContact O-N 2.73Å; G157-K160 WeakPolarHBondContact O-CB 3.32Å; G157-K160 PolarHBondContact O-N 3.2Å; G157-K160 VanDerWaalsContact O-N 3.15Å; G157-Q161 WeakPolarHBondContact O-CG 3.46Å; G157-Q161 PolarHBondContact O-N 3.3Å
158	L	92.5	Very high	90.1	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-42.2	179.4	-177.7	60.2	0	0	0	112.8	I100 W123 A137 L140 W150 K154 K155 K160 Q161 F162	I100-L158 HydrophobicContact CD1-CB 4.11Å; I100-L158 HydrophobicContact CD1-CD2 4.05Å; I100-L158 HydrophobicContact CD1-CG 4.3Å; I100-L158 HydrophobicContact CG1-CD2 4.17Å; I100-L158 HydrophobicContact CG2-CD2 4.45Å; W123-L158 HydrophobicContact CH2-CD1 3.77Å; W123-L158 HydrophobicContact CZ3-CD1 3.75Å; A137-L158 HydrophobicContact CB-CD2 4.05Å; L140-L158 HydrophobicContact CD1-CD1 3.61Å; L140-L158 HydrophobicContact CD1-CD2 4.21Å; W150-L158 HydrophobicContact CH2-CD2 4.28Å; W150-L158 HydrophobicContact CZ3-CD2 3.61Å; K154-L158 PolarHBondContact O-N 3.28Å; K155-L158 WeakPolarHBondContact O-CB 3.28Å; K155-L158 PolarHBondContact O-N 3.18Å; K155-L158 VanDerWaalsContact O-N 3.08Å; L158-K160 VanDerWaalsContact C-N 3.28Å; L158-K160 PolarHBondContact O-N 2.86Å; L158-Q161 HydrophobicContact CD1-CB 4.48Å; L158-Q161 CarbonylContact O-C 3.59Å; L158-Q161 WeakPolarHBondContact O-CA 3.33Å; L158-Q161 WeakPolarHBondContact O-CB 3.37Å; L158-Q161 PolarHBondContact O-N 2.93Å; L158-F162 HydrophobicContact CD1-CD1 4.04Å; L158-F162 HydrophobicContact CD1-CE1 3.51Å; L158-F162 HydrophobicContact CD1-CZ 3.81Å; L158-F162 HydrophobicContact CD2-CE1 4.28Å; L158-F162 HydrophobicContact CD2-CE2 4.19Å; L158-F162 HydrophobicContact CD2-CZ 3.7Å; L158-F162 HydrophobicContact CG-CD1 4.38Å; L158-F162 HydrophobicContact CG-CE1 3.85Å; L158-F162 HydrophobicContact CG-CE2 3.99Å; L158-F162 HydrophobicContact CG-CZ 3.62Å; L158-F162 PolarHBondContact O-N 3.19Å
159	I	94.9	Very high	91.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-46	173.9	-68.6	172.1	0	0	0	110.5	I100 K155 N156 G157 Q161 F162 L163 E185 T188 I189	I100-I159 HydrophobicContact CD1-CD1 4.22Å; I100-I159 HydrophobicContact CD1-CG1 3.73Å; K155-I159 WeakPolarHBondContact O-CG1 2.83Å; K155-I159 PolarHBondContact O-N 3.41Å; N156-I159 PolarHBondContact O-N 3.44Å; G157-I159 PolarHBondContact O-N 2.73Å; I159-Q161 VanDerWaalsContact C-N 3.28Å; I159-Q161 PolarHBondContact O-N 3.34Å; I159-F162 PolarHBondContact O-N 2.79Å; I159-L163 HydrophobicContact CG2-CD1 4.23Å; I159-L163 WeakPolarHBondContact O-CG 3.36Å; I159-L163 PolarHBondContact O-N 2.68Å; I159-L163 VanDerWaalsContact O-N 3.09Å; I159-E185 HydrophobicContact CD1-CB 3.74Å; I159-E185 HydrophobicContact CD1-CG 4.34Å; I159-E185 WeakPolarHBondContact CD1-O 3.49Å; I159-T188 HydrophobicContact CG2-CG2 4.33Å; I159-I189 HydrophobicContact CG2-CB 3.74Å; I159-I189 HydrophobicContact CG2-CD1 4.14Å; I159-I189 HydrophobicContact CG2-CG1 3.98Å
160	K	94.8	Very high	92.2	Very high	51 Å²	51	49.8 Å²	49.8	22%	0.222	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-34.6	176.3	-69.3	-178.8	-176.8	-171	0	112.1	D45 I51 N156 G157 L158 L163 K164	D45-K160 IonicContact OD2-NZ 3.64Å; D45-K160 PolarHBondContact OD2-NZ 2.92Å; I51-K160 HydrophobicContact CD1-CG 4.46Å; N156-K160 WeakPolarHBondContact O-CG 3.46Å; N156-K160 PolarHBondContact O-N 3.28Å; N156-K160 VanDerWaalsContact O-N 3.13Å; G157-K160 WeakPolarHBondContact O-CB 3.32Å; G157-K160 PolarHBondContact O-N 3.2Å; G157-K160 VanDerWaalsContact O-N 3.15Å; L158-K160 VanDerWaalsContact C-N 3.28Å; L158-K160 PolarHBondContact O-N 2.86Å; K160-L163 PolarHBondContact O-N 2.77Å; K160-K164 VanDerWaalsContact O-CB 3.3Å; K160-K164 WeakPolarHBondContact O-CB 3.45Å; K160-K164 WeakPolarHBondContact O-CD 3.26Å; K160-K164 WeakPolarHBondContact O-CG 3.45Å; K160-K164 PolarHBondContact O-N 3.2Å
161	Q	94.4	Very high	93	Very high	67 Å²	67	47 Å²	47	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-44.8	174.8	-63.8	-172.1	-69.5	0	0	111.7	W123 G157 L158 I159 L163 K164 D165 V166	W123-Q161 HydrophobicContact CH2-CB 3.8Å; W123-Q161 HydrophobicContact CH2-CG 4.32Å; W123-Q161 HydrophobicContact CZ3-CB 3.8Å; G157-Q161 WeakPolarHBondContact O-CG 3.46Å; G157-Q161 PolarHBondContact O-N 3.3Å; L158-Q161 HydrophobicContact CD1-CB 4.48Å; L158-Q161 CarbonylContact O-C 3.59Å; L158-Q161 WeakPolarHBondContact O-CA 3.33Å; L158-Q161 WeakPolarHBondContact O-CB 3.37Å; L158-Q161 PolarHBondContact O-N 2.93Å; I159-Q161 VanDerWaalsContact C-N 3.28Å; I159-Q161 PolarHBondContact O-N 3.34Å; Q161-L163 PolarHBondContact O-N 2.6Å; Q161-K164 PolarHBondContact O-N 3.46Å; Q161-D165 HydrophobicContact CB-CB 4.46Å; Q161-D165 WeakPolarHBondContact CB-OD2 3.16Å; Q161-D165 VanDerWaalsContact CG-OD2 3.31Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.41Å; Q161-D165 WeakPolarHBondContact O-CA 3.38Å; Q161-D165 WeakPolarHBondContact O-CB 3.34Å; Q161-D165 PolarHBondContact O-N 3.23Å; Q161-V166 PolarHBondContact O-N 3.33Å
162	F	97.1	Very high	93.8	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-55.1	-38.7	173.2	-66.3	-17.8	0	0	0	112.2	I96 W123 I135 L140 L158 I159 V166 W168	I96-F162 HydrophobicContact CG2-CB 4.28Å; I96-F162 HydrophobicContact CG2-CD2 4.02Å; W123-F162 HydrophobicContact CE3-CD1 4.31Å; W123-F162 HydrophobicContact CE3-CE1 4.49Å; W123-F162 AromaticContact CZ3-CD1 3.92Å; W123-F162 HydrophobicContact CZ3-CD1 3.92Å; W123-F162 AromaticContact CZ3-CE1 3.93Å; W123-F162 HydrophobicContact CZ3-CE1 3.93Å; I135-F162 HydrophobicContact CB-CD1 4.46Å; I135-F162 HydrophobicContact CD1-CE1 4.39Å; I135-F162 HydrophobicContact CG1-CD1 3.48Å; I135-F162 VanDerWaalsContact CG1-CD1 3.48Å; I135-F162 HydrophobicContact CG1-CE1 3.5Å; I135-F162 HydrophobicContact CG1-CG 4.22Å; I135-F162 HydrophobicContact CG1-CZ 4.26Å; I135-F162 HydrophobicContact CG2-CB 4.12Å; I135-F162 HydrophobicContact CG2-CD1 4.07Å; I135-F162 HydrophobicContact CG2-CD2 4.32Å; I135-F162 HydrophobicContact CG2-CG 3.94Å; L140-F162 HydrophobicContact CD1-CE1 3.88Å; L140-F162 HydrophobicContact CD1-CZ 4.25Å; L158-F162 HydrophobicContact CD1-CD1 4.04Å; L158-F162 HydrophobicContact CD1-CE1 3.51Å; L158-F162 HydrophobicContact CD1-CZ 3.81Å; L158-F162 HydrophobicContact CD2-CE1 4.28Å; L158-F162 HydrophobicContact CD2-CE2 4.19Å; L158-F162 HydrophobicContact CD2-CZ 3.7Å; L158-F162 HydrophobicContact CG-CD1 4.38Å; L158-F162 HydrophobicContact CG-CE1 3.85Å; L158-F162 HydrophobicContact CG-CE2 3.99Å; L158-F162 HydrophobicContact CG-CZ 3.62Å; L158-F162 PolarHBondContact O-N 3.19Å; I159-F162 PolarHBondContact O-N 2.79Å; F162-V166 HydrophobicContact CD1-CG2 4.47Å; F162-V166 WeakPolarHBondContact O-CB 3.29Å; F162-V166 WeakPolarHBondContact O-CG2 3.49Å; F162-W168 PolarHBondContact O-NE1 2.6Å
163	L	96.9	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-79.7	-26.5	-178.6	-64.5	176.4	0	0	0	114.7	I51 R54 M55 I96 I159 K160 Q161 I189 C192 L193	I51-L163 HydrophobicContact CD1-CB 4.07Å; I51-L163 HydrophobicContact CD1-CD1 4.25Å; I51-L163 HydrophobicContact CG1-CB 3.83Å; I51-L163 HydrophobicContact CG2-CB 4.03Å; R54-L163 WeakPolarHBondContact CG-O 3.35Å; M55-L163 HydrophobicContact CE-CB 3.9Å; M55-L163 HydrophobicContact CE-CD2 3.51Å; M55-L163 HydrophobicContact CE-CG 4.32Å; M55-L163 WeakPolarHBondContact CE-O 3.3Å; M55-L163 HydrophobicContact SD-CD2 4.48Å; I96-L163 HydrophobicContact CD1-CD2 3.71Å; I159-L163 HydrophobicContact CG2-CD1 4.23Å; I159-L163 WeakPolarHBondContact O-CG 3.36Å; I159-L163 PolarHBondContact O-N 2.68Å; I159-L163 VanDerWaalsContact O-N 3.09Å; K160-L163 PolarHBondContact O-N 2.77Å; Q161-L163 PolarHBondContact O-N 2.6Å; L163-I189 HydrophobicContact CD1-CG1 4.43Å; L163-C192 HydrophobicContact CD1-CB 3.62Å; L163-L193 HydrophobicContact CD1-CG 4.44Å; L163-L193 HydrophobicContact CD2-CD2 3.78Å; L163-L193 HydrophobicContact CD2-CG 4.3Å
164	K	95.2	Very high	95.2	Very high	47 Å²	47	32.2 Å²	32.2	20%	0.204	17%	0.174	C	C	.	.	H	α-helix	trans	-113.7	-36.9	-170.6	87.4	-169.8	178.9	169.6	0	113.8	M50 I51 R54 K160 Q161	M50-K164 HydrophobicContact CB-CB 4.23Å; I51-K164 HydrophobicContact CG1-CB 3.73Å; R54-K164 PolarHBondContact NE-O 2.84Å; R54-K164 VanDerWaalsContact NE-O 3.15Å; K160-K164 VanDerWaalsContact O-CB 3.3Å; K160-K164 WeakPolarHBondContact O-CB 3.45Å; K160-K164 WeakPolarHBondContact O-CD 3.26Å; K160-K164 WeakPolarHBondContact O-CG 3.45Å; K160-K164 PolarHBondContact O-N 3.2Å; Q161-K164 PolarHBondContact O-N 3.46Å
165	D	95.5	Very high	95.7	Very high	37 Å²	37	26.8 Å²	26.8	20%	0.198	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-19	-168.3	-63.2	-36.3	0	0	0	112	G122 W123 Q161 D167	G122-D165 CarbonylContact C-O 3.45Å; G122-D165 WeakPolarHBondContact CA-O 3.36Å; W123-D165 PolarHBondContact N-O 2.87Å; Q161-D165 HydrophobicContact CB-CB 4.46Å; Q161-D165 WeakPolarHBondContact CB-OD2 3.16Å; Q161-D165 VanDerWaalsContact CG-OD2 3.31Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.41Å; Q161-D165 WeakPolarHBondContact O-CA 3.38Å; Q161-D165 WeakPolarHBondContact O-CB 3.34Å; Q161-D165 PolarHBondContact O-N 3.23Å; D165-D167 PolarHBondContact O-N 2.93Å
166	V	97.7	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-73.5	128.1	175.6	179.3	0	0	0	0	109.9	R54 W123 P125 I135 Q161 F162 W168	R54-V166 WeakPolarHBondContact CD-O 3.29Å; R54-V166 PolarHBondContact NE-O 2.62Å; W123-V166 HydrophobicContact CB-CG2 4.17Å; W123-V166 HydrophobicContact CE3-CG2 4.21Å; W123-V166 CarbonylContact O-C 3.44Å; W123-V166 WeakPolarHBondContact O-CA 3.16Å; P125-V166 HydrophobicContact CB-CG1 4.1Å; P125-V166 HydrophobicContact CG-CG1 4.35Å; I135-V166 HydrophobicContact CB-CG2 4.3Å; I135-V166 HydrophobicContact CD1-CG2 4.06Å; I135-V166 HydrophobicContact CG1-CG2 3.82Å; I135-V166 HydrophobicContact CG2-CG2 4.41Å; Q161-V166 PolarHBondContact O-N 3.33Å; F162-V166 HydrophobicContact CD1-CG2 4.47Å; F162-V166 WeakPolarHBondContact O-CB 3.29Å; F162-V166 WeakPolarHBondContact O-CG2 3.49Å; V166-W168 HydrophobicContact CB-CD2 4.43Å; V166-W168 HydrophobicContact CB-CZ2 4.05Å; V166-W168 HydrophobicContact CG1-CD2 3.71Å; V166-W168 VanDerWaalsContact CG1-CE2 3.44Å; V166-W168 HydrophobicContact CG1-CE3 4.12Å; V166-W168 HydrophobicContact CG1-CG 4.19Å; V166-W168 HydrophobicContact CG1-CH2 4.15Å; V166-W168 HydrophobicContact CG1-CZ2 3.67Å; V166-W168 HydrophobicContact CG1-CZ3 4.35Å; V166-W168 HydrophobicContact CG2-CZ2 4.47Å; V166-W168 VanDerWaalsContact O-CD1 3.29Å; V166-W168 PolarHBondContact O-N 2.84Å
167	D	97.1	Very high	96.5	Very high	48 Å²	48	23.6 Å²	23.6	26%	0.257	14%	0.135	S	C	.	.			trans	-87	89.1	177	-169.8	24.9	0	0	0	110.5	R54 S121 W123 P125 D165 G169	R54-D167 IonicContact NH1-OD1 3.41Å; R54-D167 PolarHBondContact NH1-OD1 3.42Å; S121-D167 WeakPolarHBondContact CB-OD2 3.3Å; S121-D167 PolarHBondContact OG-OD2 2.87Å; W123-D167 PolarHBondContact O-N 3.34Å; P125-D167 WeakPolarHBondContact CD-O 3.48Å; D165-D167 PolarHBondContact O-N 2.93Å; D167-G169 VanDerWaalsContact C-N 3.31Å; D167-G169 PolarHBondContact O-N 2.82Å
168	W	96.8	Very high	96.8	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	12%	0.12	C	C	.	.			trans	-76	-13.9	-177.5	-64.1	107.1	0	0	0	114.5	I58 I96 P125 I135 F162 V166 N170 L171 L174	I58-W168 HydrophobicContact CD1-CB 4.44Å; I58-W168 HydrophobicContact CD1-CG 4.23Å; I96-W168 HydrophobicContact CD1-CH2 4.45Å; I96-W168 HydrophobicContact CD1-CZ2 3.76Å; I96-W168 HydrophobicContact CG1-CH2 3.69Å; I96-W168 HydrophobicContact CG1-CZ2 3.48Å; I96-W168 VanDerWaalsContact CG1-CZ2 3.48Å; P125-W168 HydrophobicContact CB-CE3 4.43Å; P125-W168 HydrophobicContact CB-CZ3 4.18Å; P125-W168 HydrophobicContact CG-CE3 4.45Å; I135-W168 HydrophobicContact CB-CH2 4.08Å; I135-W168 HydrophobicContact CB-CZ2 4.44Å; I135-W168 HydrophobicContact CG2-CH2 3.62Å; I135-W168 HydrophobicContact CG2-CZ2 3.74Å; F162-W168 PolarHBondContact O-NE1 2.6Å; V166-W168 HydrophobicContact CB-CD2 4.43Å; V166-W168 HydrophobicContact CB-CZ2 4.05Å; V166-W168 HydrophobicContact CG1-CD2 3.71Å; V166-W168 VanDerWaalsContact CG1-CE2 3.44Å; V166-W168 HydrophobicContact CG1-CE3 4.12Å; V166-W168 HydrophobicContact CG1-CG 4.19Å; V166-W168 HydrophobicContact CG1-CH2 4.15Å; V166-W168 HydrophobicContact CG1-CZ2 3.67Å; V166-W168 HydrophobicContact CG1-CZ3 4.35Å; V166-W168 HydrophobicContact CG2-CZ2 4.47Å; V166-W168 VanDerWaalsContact O-CD1 3.29Å; V166-W168 PolarHBondContact O-N 2.84Å; W168-N170 PolarHBondContact O-N 2.89Å; W168-L171 HydrophobicContact CB-CD1 3.86Å; W168-L171 HydrophobicContact CB-CG 4.06Å; W168-L171 HydrophobicContact CD2-CD1 3.95Å; W168-L171 HydrophobicContact CE3-CD1 3.62Å; W168-L171 HydrophobicContact CG-CD1 4.1Å; W168-L171 HydrophobicContact CZ3-CD1 4.41Å; W168-L174 HydrophobicContact CD2-CD1 4.35Å; W168-L174 HydrophobicContact CE3-CD1 4.3Å; W168-L174 HydrophobicContact CH2-CD1 3.91Å; W168-L174 HydrophobicContact CZ2-CD1 4.02Å; W168-L174 HydrophobicContact CZ3-CD1 4.07Å
169	G	95.3	Very high	96.9	Very high	38 Å²	38	22 Å²	22	39%	0.392	12%	0.119	S	C	.	.			trans	60.4	-134.6	-164.9	0	0	0	0	0	111.5	S57 D167	S57-G169 VanDerWaalsContact CB-O 3.26Å; S57-G169 WeakPolarHBondContact CB-O 3.09Å; S57-G169 PolarHBondContact OG-O 2.83Å; D167-G169 VanDerWaalsContact C-N 3.31Å; D167-G169 PolarHBondContact O-N 2.82Å
170	N	97.5	Very high	96.8	Very high	119 Å²	119	23.8 Å²	23.8	64%	0.636	13%	0.131	S	C	*	.	S	Bend	trans	-105	121.8	173.2	-61	-49.4	0	0	0	109.2	S57 N92 W168	S57-N170 WeakPolarHBondContact O-CA 3.41Å; N92-N170 VanDerWaalsContact CB-O 3.31Å; N92-N170 WeakPolarHBondContact CB-O 3.24Å; N92-N170 PolarHBondContact ND2-O 2.92Å; W168-N170 PolarHBondContact O-N 2.89Å
171	L	98.5	Very high	96.6	Very high	8 Å²	8	22 Å²	22	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.8	176.6	-61	-177.1	0	0	0	110.8	S57 I58 K59 N92 W168 L174	S57-L171 PolarHBondContact O-N 2.74Å; I58-L171 CarbonylContact C-O 3.42Å; I58-L171 VanDerWaalsContact CA-O 3.28Å; I58-L171 WeakPolarHBondContact CA-O 3.47Å; I58-L171 HydrophobicContact CB-CB 4.41Å; I58-L171 HydrophobicContact CD1-CD1 4.08Å; I58-L171 HydrophobicContact CG1-CB 4.11Å; I58-L171 HydrophobicContact CG1-CD1 4.29Å; I58-L171 HydrophobicContact CG1-CG 4.43Å; I58-L171 HydrophobicContact CG2-CB 4.08Å; K59-L171 PolarHBondContact N-O 3.01Å; N92-L171 HydrophobicContact CB-CD2 3.7Å; W168-L171 HydrophobicContact CB-CD1 3.86Å; W168-L171 HydrophobicContact CB-CG 4.06Å; W168-L171 HydrophobicContact CD2-CD1 3.95Å; W168-L171 HydrophobicContact CE3-CD1 3.62Å; W168-L171 HydrophobicContact CG-CD1 4.1Å; W168-L171 HydrophobicContact CZ3-CD1 4.41Å; L171-L174 HydrophobicContact CD1-CB 4.49Å; L171-L174 HydrophobicContact CD1-CD1 4Å
172	D	98.6	Very high	96.1	Very high	36 Å²	36	22.6 Å²	22.6	19%	0.193	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-37.6	168.8	-60.2	-85	0	0	0	110	K59 H60 Y91 N92	K59-D172 WeakPolarHBondContact CB-O 3.37Å; H60-D172 WeakPolarHBondContact CB-O 3.09Å; H60-D172 PolarHBondContact CD2-O 2.82Å; H60-D172 PolarHBondContact N-O 2.71Å; Y91-D172 WeakPolarHBondContact CA-OD2 3.33Å; Y91-D172 HydrophobicContact CD1-CB 4.32Å; Y91-D172 HydrophobicContact CD2-CB 3.75Å; Y91-D172 HydrophobicContact CE2-CB 4.32Å; Y91-D172 HydrophobicContact CG-CB 3.75Å; N92-D172 PolarHBondContact N-OD2 3.35Å; N92-D172 PolarHBondContact O-N 3.13Å
173	F	98.8	Very high	95.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.1	178.7	-77.3	-96.1	0	0	0	112.2	H60 I62 I84 Y91 N92 V93 G94 I175 L311 C314 E316	H60-F173 HydrophobicContact CB-CD1 3.59Å; H60-F173 HydrophobicContact CB-CE1 3.57Å; H60-F173 HydrophobicContact CB-CG 4.12Å; H60-F173 HydrophobicContact CB-CZ 4.06Å; H60-F173 AromaticContact CD2-CE1 3.94Å; H60-F173 AromaticContact CD2-CE2 3.71Å; H60-F173 AromaticContact CD2-CZ 3.49Å; H60-F173 VanDerWaalsContact CD2-CZ 3.49Å; H60-F173 WeakPolarHBondContact CD2-CZ 3.46Å; H60-F173 AromaticContact CG-CE1 3.85Å; H60-F173 AromaticContact CG-CZ 3.88Å; H60-F173 CarbonylContact O-C 3.56Å; H60-F173 WeakPolarHBondContact O-CA 3.41Å; I62-F173 HydrophobicContact CD1-CD1 3.98Å; I62-F173 HydrophobicContact CD1-CE1 3.94Å; I84-F173 HydrophobicContact CD1-CB 4.24Å; I84-F173 HydrophobicContact CD1-CD1 3.7Å; I84-F173 HydrophobicContact CD1-CD2 4.28Å; I84-F173 HydrophobicContact CD1-CE1 4.11Å; I84-F173 HydrophobicContact CD1-CG 3.8Å; I84-F173 HydrophobicContact CG2-CB 4.5Å; I84-F173 HydrophobicContact CG2-CD2 3.74Å; I84-F173 HydrophobicContact CG2-CE2 4.24Å; I84-F173 HydrophobicContact CG2-CG 4.17Å; Y91-F173 HydrophobicContact CD2-CD2 4.13Å; Y91-F173 HydrophobicContact CD2-CE2 4.07Å; Y91-F173 HydrophobicContact CE2-CD2 4.47Å; Y91-F173 AromaticContact CE2-CE2 3.95Å; Y91-F173 HydrophobicContact CE2-CE2 3.95Å; N92-F173 PolarHBondContact O-N 3.13Å; V93-F173 CarbonylContact C-O 3.55Å; V93-F173 WeakPolarHBondContact CA-O 3.42Å; V93-F173 HydrophobicContact CG1-CB 4.21Å; V93-F173 HydrophobicContact CG2-CB 4.46Å; G94-F173 PolarHBondContact N-O 3.38Å; F173-I175 HydrophobicContact CB-CD1 4.2Å; F173-I175 HydrophobicContact CD1-CD1 4.23Å; F173-L311 HydrophobicContact CE1-CD2 4.37Å; F173-L311 HydrophobicContact CE2-CD2 4.26Å; F173-L311 HydrophobicContact CZ-CD2 3.77Å; F173-C314 HydrophobicContact CE1-CB 4.26Å; F173-C314 HydrophobicContact CZ-CB 4.26Å; F173-E316 HydrophobicContact CE2-CG 4.02Å; F173-E316 HydrophobicContact CZ-CG 3.78Å
174	L	98.8	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.8	164.3	-176.5	71.1	0	0	0	108.9	M55 I58 H60 K61 I62 G94 I96 W168 L171 I176	M55-L174 HydrophobicContact CE-CD2 4.1Å; M55-L174 HydrophobicContact SD-CD2 3.72Å; I58-L174 HydrophobicContact CD1-CB 4.07Å; I58-L174 HydrophobicContact CD1-CD1 4.42Å; I58-L174 HydrophobicContact CD1-CD2 3.65Å; I58-L174 HydrophobicContact CD1-CG 4.26Å; I58-L174 HydrophobicContact CG2-CB 3.61Å; H60-L174 PolarHBondContact O-N 2.83Å; K61-L174 WeakPolarHBondContact CA-O 3.49Å; K61-L174 HydrophobicContact CG-CB 4.31Å; K61-L174 HydrophobicContact CG-CD2 4.41Å; I62-L174 PolarHBondContact N-O 3.06Å; G94-L174 WeakPolarHBondContact O-CA 3.37Å; I96-L174 HydrophobicContact CD1-CD1 4.18Å; I96-L174 HydrophobicContact CD1-CD2 3.84Å; I96-L174 HydrophobicContact CD1-CG 4.36Å; I96-L174 HydrophobicContact CG1-CD1 3.95Å; I96-L174 HydrophobicContact CG1-CD2 4.47Å; I96-L174 HydrophobicContact CG1-CG 4.47Å; W168-L174 HydrophobicContact CD2-CD1 4.35Å; W168-L174 HydrophobicContact CE3-CD1 4.3Å; W168-L174 HydrophobicContact CH2-CD1 3.91Å; W168-L174 HydrophobicContact CZ2-CD1 4.02Å; W168-L174 HydrophobicContact CZ3-CD1 4.07Å; L171-L174 HydrophobicContact CD1-CB 4.49Å; L171-L174 HydrophobicContact CD1-CD1 4Å; L174-I176 HydrophobicContact CD2-CD1 4.13Å; L174-I176 HydrophobicContact CD2-CG1 4.33Å; L174-I176 HydrophobicContact CG-CD1 4.15Å; L174-I176 HydrophobicContact CG-CG1 4.3Å
175	I	98.8	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.8	178.4	-45.5	-55.5	0	0	0	108.6	I62 I64 C77 L80 A81 I84 V93 G94 I95 I96 F173	I62-I175 HydrophobicContact CB-CD1 4.01Å; I62-I175 HydrophobicContact CD1-CD1 4.14Å; I62-I175 HydrophobicContact CG1-CD1 4.39Å; I62-I175 WeakPolarHBondContact O-CA 3.46Å; I64-I175 HydrophobicContact CD1-CG2 3.88Å; I64-I175 HydrophobicContact CG1-CG2 3.57Å; C77-I175 HydrophobicContact CB-CG2 4.47Å; C77-I175 VanDerWaalsContact SG-CG2 3.53Å; L80-I175 HydrophobicContact CD2-CD1 3.87Å; L80-I175 HydrophobicContact CD2-CG1 4.4Å; L80-I175 HydrophobicContact CD2-CG2 4.04Å; L80-I175 HydrophobicContact CG-CD1 4.13Å; L80-I175 HydrophobicContact CG-CG1 4.4Å; A81-I175 HydrophobicContact CB-CG1 4.25Å; I84-I175 HydrophobicContact CD1-CD1 4.27Å; V93-I175 HydrophobicContact CG1-CG1 4.39Å; G94-I175 PolarHBondContact O-N 3.23Å; I95-I175 CarbonylContact C-O 3.56Å; I95-I175 VanDerWaalsContact CA-O 3.29Å; I95-I175 WeakPolarHBondContact CA-O 3.23Å; I96-I175 PolarHBondContact N-O 3.49Å; F173-I175 HydrophobicContact CB-CD1 4.2Å; F173-I175 HydrophobicContact CD1-CD1 4.23Å
176	I	98.7	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.8	-176.3	-59.2	103.4	0	0	0	109.8	K61 I62 L63 I64 I96 L174 T178 I189 L193	K61-I176 HydrophobicContact CB-CD1 4.2Å; I62-I176 PolarHBondContact O-N 3.31Å; L63-I176 HydrophobicContact CG-CB 4.33Å; L63-I176 HydrophobicContact CG-CD1 4.4Å; I64-I176 PolarHBondContact N-O 2.85Å; I96-I176 HydrophobicContact CB-CG1 4.27Å; I96-I176 HydrophobicContact CB-CG2 4.36Å; I96-I176 HydrophobicContact CD1-CG1 4.35Å; I96-I176 HydrophobicContact CG2-CG2 4.49Å; L174-I176 HydrophobicContact CD2-CD1 4.13Å; L174-I176 HydrophobicContact CD2-CG1 4.33Å; L174-I176 HydrophobicContact CG-CD1 4.15Å; L174-I176 HydrophobicContact CG-CG1 4.3Å; I176-T178 HydrophobicContact CG2-CG2 4.01Å; I176-T178 PolarHBondContact O-N 3.03Å; I176-I189 HydrophobicContact CG2-CD1 3.3Å; I176-I189 HydrophobicContact CG2-CG1 4.13Å; I176-L193 HydrophobicContact CD1-CD1 3.96Å; I176-L193 HydrophobicContact CG1-CD1 4.25Å
177	D	98.1	Very high	94.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	100.3	172	-164	13.5	0	0	0	110.1	K73 S74 C77 I96 A98 Q105	K73-D177 WeakPolarHBondContact CG-OD1 3.5Å; K73-D177 IonicContact NZ-OD1 3.11Å; K73-D177 PolarHBondContact NZ-OD1 2.75Å; K73-D177 IonicContact NZ-OD2 3.17Å; S74-D177 VanDerWaalsContact CA-OD2 3.3Å; S74-D177 WeakPolarHBondContact CA-OD2 3.48Å; S74-D177 WeakPolarHBondContact CB-OD2 3.23Å; S74-D177 PolarHBondContact OG-OD1 2.87Å; S74-D177 PolarHBondContact OG-OD2 3Å; C77-D177 HydrophobicContact CB-CB 4.1Å; I96-D177 PolarHBondContact O-N 2.9Å; A98-D177 WeakPolarHBondContact CA-O 3.46Å; A98-D177 WeakPolarHBondContact CB-O 3.26Å; A98-D177 PolarHBondContact N-O 3.44Å; Q105-D177 PolarHBondContact NE2-OD2 3.42Å
178	T	97.1	Very high	94.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-82.9	158.9	-173.1	63.7	0	0	0	0	112.9	L63 I64 L65 K73 I176 I189	L63-T178 HydrophobicContact CB-CG2 4.25Å; L63-T178 HydrophobicContact CD2-CG2 3.83Å; L63-T178 HydrophobicContact CG-CG2 4.46Å; I64-T178 PolarHBondContact O-N 3.11Å; I64-T178 PolarHBondContact O-OG1 3.4Å; L65-T178 HydrophobicContact CD2-CG2 3.5Å; L65-T178 VanDerWaalsContact CD2-OG1 3.28Å; L65-T178 WeakPolarHBondContact CD2-OG1 3.41Å; K73-T178 VanDerWaalsContact CD-O 3.25Å; K73-T178 WeakPolarHBondContact CD-O 3.49Å; K73-T178 WeakPolarHBondContact CE-O 3.11Å; K73-T178 PolarHBondContact NZ-O 3.49Å; I176-T178 HydrophobicContact CG2-CG2 4.01Å; I176-T178 PolarHBondContact O-N 3.03Å; T178-I189 HydrophobicContact CG2-CG2 4.18Å
179	P	95.1	Very high	94.4	Very high	4 Å²	4	27 Å²	27	3%	0.026	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-59.2	150.6	165.4	-21.5	32.1	0	0	0	112.1	A98 E185 H186	A98-P179 WeakPolarHBondContact O-CG 3.38Å; P179-E185 HydrophobicContact CB-CB 4.42Å; P179-E185 HydrophobicContact CG-CB 3.63Å; P179-H186 HydrophobicContact CB-CB 4.32Å; P179-H186 HydrophobicContact CG-CB 4.48Å; P179-H186 PolarHBondContact O-ND1 3.08Å; P179-H186 VanDerWaalsContact O-ND1 3.09Å
180	P	92.7	Very high	94.4	Very high	40 Å²	40	25.2 Å²	25.2	26%	0.26	15%	0.146	S	C	.	.	S	Bend	trans	-70.5	146.8	178.7	29.6	-35	0	0	0	112.8
181	G	89	Confident	94.3	Very high	13 Å²	13	22.9 Å²	22.9	13%	0.134	13%	0.131	C	C	.	.	S	Bend	trans	64.4	-154.2	178.9	0	0	0	0	0	112.3	S66 G67 H186	S66-G181 PolarHBondContact O-N 3.27Å; G67-G181 WeakPolarHBondContact O-CA 3.34Å; G67-G181 PolarHBondContact O-N 3.35Å; G181-H186 PolarHBondContact O-CE1 2.81Å; G181-H186 PolarHBondContact O-ND1 2.88Å
182	T	84.5	Confident	94.1	Very high	80 Å²	80	22.8 Å²	22.8	49%	0.491	13%	0.131	S	C	.	.	S	Bend	trans	-105.7	56.7	-176.8	61.9	0	0	0	0	111.8	F222	T182-F222 HydrophobicContact CG2-CB 4.33Å; T182-F222 HydrophobicContact CG2-CD2 4.32Å; T182-F222 HydrophobicContact CG2-CG 4.27Å
183	S	87.4	Confident	94	Very high	34 Å²	34	21.1 Å²	21.1	24%	0.238	12%	0.122	C	C	.	.			trans	-73.1	166.2	176.2	79.9	0	0	0	0	112.4	E185 H186 I187	S183-E185 WeakPolarHBondContact CB-OE2 3.42Å; S183-E185 PolarHBondContact O-N 2.84Å; S183-E185 PolarHBondContact OG-N 2.98Å; S183-E185 PolarHBondContact OG-OE2 3.19Å; S183-H186 WeakPolarHBondContact O-CB 3.33Å; S183-H186 PolarHBondContact O-N 2.62Å; S183-H186 PolarHBondContact OG-N 3.47Å; S183-I187 WeakPolarHBondContact O-CG1 3.47Å; S183-I187 PolarHBondContact O-N 2.64Å
184	D	87.2	Confident	93.9	Very high	105 Å²	105	23.5 Å²	23.5	56%	0.561	13%	0.134	S	C	*	.	H	α-helix	trans	-59	-37.9	176.3	-75	-20.4	0	0	0	111.8	T188	D184-T188 VanDerWaalsContact O-CB 3.26Å; D184-T188 WeakPolarHBondContact O-CB 3.48Å; D184-T188 PolarHBondContact O-N 2.81Å; D184-T188 PolarHBondContact O-OG1 3.24Å
185	E	90.9	Very high	93.7	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.103	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-45.8	176.4	-58.7	93.4	161.5	0	0	110.9	K155 I159 P179 S183 T188 I189	K155-E185 HydrophobicContact CB-CG 4.02Å; K155-E185 HydrophobicContact CD-CG 3.93Å; K155-E185 WeakPolarHBondContact CD-OE1 3.47Å; K155-E185 WeakPolarHBondContact CE-OE1 3.25Å; K155-E185 IonicContact NZ-OE1 2.66Å; K155-E185 PolarHBondContact NZ-OE1 3.32Å; I159-E185 HydrophobicContact CD1-CB 3.74Å; I159-E185 HydrophobicContact CD1-CG 4.34Å; I159-E185 WeakPolarHBondContact CD1-O 3.49Å; P179-E185 HydrophobicContact CB-CB 4.42Å; P179-E185 HydrophobicContact CG-CB 3.63Å; S183-E185 WeakPolarHBondContact CB-OE2 3.42Å; S183-E185 PolarHBondContact O-N 2.84Å; S183-E185 PolarHBondContact OG-N 2.98Å; S183-E185 PolarHBondContact OG-OE2 3.19Å; E185-T188 PolarHBondContact O-N 3.2Å; E185-I189 PolarHBondContact O-N 3.18Å
186	H	93.1	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-49	175.7	-179.4	110.4	0	0	0	111.6	P179 G181 S183 T188 I189 V190 E219 F222	P179-H186 HydrophobicContact CB-CB 4.32Å; P179-H186 HydrophobicContact CG-CB 4.48Å; P179-H186 PolarHBondContact O-ND1 3.08Å; P179-H186 VanDerWaalsContact O-ND1 3.09Å; G181-H186 PolarHBondContact O-CE1 2.81Å; G181-H186 PolarHBondContact O-ND1 2.88Å; S183-H186 WeakPolarHBondContact O-CB 3.33Å; S183-H186 PolarHBondContact O-N 2.62Å; S183-H186 PolarHBondContact OG-N 3.47Å; H186-T188 VanDerWaalsContact C-N 3.29Å; H186-T188 PolarHBondContact O-N 3.05Å; H186-I189 VanDerWaalsContact O-CG2 3.27Å; H186-I189 WeakPolarHBondContact O-CG2 3.34Å; H186-I189 PolarHBondContact O-N 3.21Å; H186-V190 VanDerWaalsContact O-CG2 3.27Å; H186-V190 WeakPolarHBondContact O-CG2 3.36Å; H186-V190 PolarHBondContact O-N 3.33Å; H186-E219 IonicContact CE1-OE1 3.94Å; H186-E219 PolarHBondContact CE1-OE1 3.14Å; H186-E219 IonicContact NE2-OE1 2.83Å; H186-E219 PolarHBondContact NE2-OE1 3.29Å; H186-E219 VanDerWaalsContact NE2-OE1 3.16Å; H186-F222 AromaticContact CD2-CE1 3.74Å; H186-F222 AromaticContact CD2-CZ 3.87Å; H186-F222 AromaticContact NE2-CD1 3.82Å; H186-F222 AromaticContact NE2-CE1 3.27Å; H186-F222 VanDerWaalsContact NE2-CE1 3.27Å; H186-F222 WeakPolarHBondContact NE2-CE1 3.47Å; H186-F222 AromaticContact NE2-CZ 3.9Å
187	I	93.2	Very high	93.2	Very high	48 Å²	48	32.2 Å²	32.2	25%	0.246	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-41.5	179	-66.2	167.8	0	0	0	110.2	S183 Q191 F222	S183-I187 WeakPolarHBondContact O-CG1 3.47Å; S183-I187 PolarHBondContact O-N 2.64Å; I187-Q191 HydrophobicContact CG2-CG 4.13Å; I187-Q191 VanDerWaalsContact O-CB 3.26Å; I187-Q191 WeakPolarHBondContact O-CB 3.31Å; I187-Q191 VanDerWaalsContact O-CG 3.23Å; I187-Q191 WeakPolarHBondContact O-CG 3.27Å; I187-Q191 PolarHBondContact O-N 3.07Å; I187-F222 HydrophobicContact CG1-CE2 4.11Å; I187-F222 HydrophobicContact CG1-CZ 4.4Å
188	T	93.2	Very high	93	Very high	20 Å²	20	39.2 Å²	39.2	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-48.7	-179	-63.8	0	0	0	0	111.7	N156 I159 D184 E185 H186 Q191 C192	N156-T188 HydrophobicContact CB-CG2 4.04Å; N156-T188 VanDerWaalsContact CG-OG1 3.32Å; N156-T188 PolarHBondContact ND2-OG1 2.89Å; N156-T188 PolarHBondContact OD1-OG1 2.88Å; I159-T188 HydrophobicContact CG2-CG2 4.33Å; D184-T188 VanDerWaalsContact O-CB 3.26Å; D184-T188 WeakPolarHBondContact O-CB 3.48Å; D184-T188 PolarHBondContact O-N 2.81Å; D184-T188 PolarHBondContact O-OG1 3.24Å; E185-T188 PolarHBondContact O-N 3.2Å; H186-T188 VanDerWaalsContact C-N 3.29Å; H186-T188 PolarHBondContact O-N 3.05Å; T188-Q191 PolarHBondContact O-N 2.79Å; T188-C192 WeakPolarHBondContact O-CB 3.44Å; T188-C192 PolarHBondContact O-N 2.93Å; T188-C192 PolarHBondContact O-SG 2.83Å
189	I	95.7	Very high	93	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-44.5	-178.2	-168.1	158.3	0	0	0	111.6	I96 A98 I159 L163 I176 T178 E185 H186 Q191 C192 L193	I96-I189 HydrophobicContact CG2-CD1 4.35Å; A98-I189 HydrophobicContact CB-CD1 3.45Å; A98-I189 VanDerWaalsContact CB-CD1 3.45Å; I159-I189 HydrophobicContact CG2-CB 3.74Å; I159-I189 HydrophobicContact CG2-CD1 4.14Å; I159-I189 HydrophobicContact CG2-CG1 3.98Å; L163-I189 HydrophobicContact CD1-CG1 4.43Å; I176-I189 HydrophobicContact CG2-CD1 3.3Å; I176-I189 HydrophobicContact CG2-CG1 4.13Å; T178-I189 HydrophobicContact CG2-CG2 4.18Å; E185-I189 PolarHBondContact O-N 3.18Å; H186-I189 VanDerWaalsContact O-CG2 3.27Å; H186-I189 WeakPolarHBondContact O-CG2 3.34Å; H186-I189 PolarHBondContact O-N 3.21Å; I189-Q191 PolarHBondContact O-N 2.83Å; I189-C192 PolarHBondContact O-N 3.16Å; I189-L193 HydrophobicContact CG1-CD1 4.04Å; I189-L193 WeakPolarHBondContact O-CB 3.19Å; I189-L193 WeakPolarHBondContact O-CG 3.25Å; I189-L193 PolarHBondContact O-N 2.83Å
190	V	96	Very high	93.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-45.8	177.1	172.7	0	0	0	0	110.8	L63 H186 L194 F222 M226 L228	L63-V190 HydrophobicContact CD2-CG2 3.72Å; H186-V190 VanDerWaalsContact O-CG2 3.27Å; H186-V190 WeakPolarHBondContact O-CG2 3.36Å; H186-V190 PolarHBondContact O-N 3.33Å; V190-L194 HydrophobicContact CG1-CD1 3.64Å; V190-L194 HydrophobicContact CG1-CG 4.3Å; V190-L194 WeakPolarHBondContact O-CB 3.29Å; V190-L194 VanDerWaalsContact O-CG 3.28Å; V190-L194 WeakPolarHBondContact O-CG 3.23Å; V190-L194 PolarHBondContact O-N 2.89Å; V190-F222 HydrophobicContact CB-CE1 4.44Å; V190-F222 HydrophobicContact CB-CZ 4.28Å; V190-F222 HydrophobicContact CG1-CE1 4.07Å; V190-F222 HydrophobicContact CG1-CZ 4.04Å; V190-F222 HydrophobicContact CG2-CE1 4.13Å; V190-F222 HydrophobicContact CG2-CZ 4.37Å; V190-M226 HydrophobicContact CG1-CE 4.41Å; V190-L228 HydrophobicContact CG1-CD2 4.23Å
191	Q	94.5	Very high	93.4	Very high	69 Å²	69	39.7 Å²	39.7	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-66.7	-40.5	179.3	-77.5	-176.9	2.7	0	0	113.2	I187 T188 I189 K195 M226	I187-Q191 HydrophobicContact CG2-CG 4.13Å; I187-Q191 VanDerWaalsContact O-CB 3.26Å; I187-Q191 WeakPolarHBondContact O-CB 3.31Å; I187-Q191 VanDerWaalsContact O-CG 3.23Å; I187-Q191 WeakPolarHBondContact O-CG 3.27Å; I187-Q191 PolarHBondContact O-N 3.07Å; T188-Q191 PolarHBondContact O-N 2.79Å; I189-Q191 PolarHBondContact O-N 2.83Å; Q191-K195 VanDerWaalsContact O-CB 3.25Å; Q191-K195 WeakPolarHBondContact O-CB 3.31Å; Q191-K195 WeakPolarHBondContact O-CG 3.35Å; Q191-K195 PolarHBondContact O-N 3.31Å; Q191-K195 VanDerWaalsContact O-N 3.09Å; Q191-M226 HydrophobicContact CG-CE 3.52Å
192	C	95.1	Very high	93.9	Very high	7 Å²	7	39 Å²	39	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-47.7	177.9	-69.9	0	0	0	0	110.3	I51 L163 T188 I189 K195 S196	I51-C192 HydrophobicContact CD1-CB 4.12Å; L163-C192 HydrophobicContact CD1-CB 3.62Å; T188-C192 WeakPolarHBondContact O-CB 3.44Å; T188-C192 PolarHBondContact O-N 2.93Å; T188-C192 PolarHBondContact O-SG 2.83Å; I189-C192 PolarHBondContact O-N 3.16Å; C192-K195 PolarHBondContact O-N 2.84Å; C192-S196 VanDerWaalsContact O-CB 3.23Å; C192-S196 WeakPolarHBondContact O-CB 3.48Å; C192-S196 PolarHBondContact O-N 3.37Å; C192-S196 VanDerWaalsContact O-N 3.11Å; C192-S196 PolarHBondContact O-OG 3.42Å
193	L	96.6	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-51.2	179.3	-71.9	172	0	0	0	111.8	L63 L163 I176 I189 K195 S196 T197 V199	L63-L193 HydrophobicContact CD1-CD1 4.15Å; L63-L193 HydrophobicContact CD2-CD1 4.04Å; L63-L193 HydrophobicContact CG-CD1 4.17Å; L163-L193 HydrophobicContact CD1-CG 4.44Å; L163-L193 HydrophobicContact CD2-CD2 3.78Å; L163-L193 HydrophobicContact CD2-CG 4.3Å; I176-L193 HydrophobicContact CD1-CD1 3.96Å; I176-L193 HydrophobicContact CG1-CD1 4.25Å; I189-L193 HydrophobicContact CG1-CD1 4.04Å; I189-L193 WeakPolarHBondContact O-CB 3.19Å; I189-L193 WeakPolarHBondContact O-CG 3.25Å; I189-L193 PolarHBondContact O-N 2.83Å; L193-K195 VanDerWaalsContact C-N 3.28Å; L193-K195 PolarHBondContact O-N 3.21Å; L193-S196 PolarHBondContact O-N 3.2Å; L193-T197 WeakPolarHBondContact O-CA 3.33Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 3.34Å; L193-V199 HydrophobicContact CB-CG2 3.67Å
194	L	96.1	Very high	95.1	Very high	51 Å²	51	33.6 Å²	33.6	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-64.9	-27.5	-178.5	-71.2	175.3	0	0	0	114.3	V190 V199 M226 L228	V190-L194 HydrophobicContact CG1-CD1 3.64Å; V190-L194 HydrophobicContact CG1-CG 4.3Å; V190-L194 WeakPolarHBondContact O-CB 3.29Å; V190-L194 VanDerWaalsContact O-CG 3.28Å; V190-L194 WeakPolarHBondContact O-CG 3.23Å; V190-L194 PolarHBondContact O-N 2.89Å; L194-V199 HydrophobicContact CD2-CB 4.38Å; L194-V199 HydrophobicContact CD2-CG2 4.37Å; L194-M226 HydrophobicContact CD1-CB 4.02Å; L194-M226 HydrophobicContact CD1-CE 4.27Å; L194-L228 HydrophobicContact CD1-CB 4.22Å; L194-L228 HydrophobicContact CD2-CD1 3.87Å; L194-L228 HydrophobicContact CG-CD1 4.48Å
195	K	94.7	Very high	95.6	Very high	142 Å²	142	28.6 Å²	28.6	62%	0.617	15%	0.147	S	C	*	.	H	α-helix	trans	-87.5	-22	179.7	-71.5	176.2	179.8	174.2	0	113.3	L48 Q191 C192 L193	L48-K195 HydrophobicContact CD1-CB 4.49Å; L48-K195 HydrophobicContact CD1-CD 4.49Å; L48-K195 HydrophobicContact CD2-CB 4.43Å; Q191-K195 VanDerWaalsContact O-CB 3.25Å; Q191-K195 WeakPolarHBondContact O-CB 3.31Å; Q191-K195 WeakPolarHBondContact O-CG 3.35Å; Q191-K195 PolarHBondContact O-N 3.31Å; Q191-K195 VanDerWaalsContact O-N 3.09Å; C192-K195 PolarHBondContact O-N 2.84Å; L193-K195 VanDerWaalsContact C-N 3.28Å; L193-K195 PolarHBondContact O-N 3.21Å
196	S	93.2	Very high	95.8	Very high	19 Å²	19	27.6 Å²	27.6	13%	0.133	14%	0.142	C	C	.	.	H	α-helix	trans	-112.3	-17.9	-173.1	-70.7	0	0	0	0	113.8	L48 A52 C192 L193	L48-S196 WeakPolarHBondContact CA-OG 2.96Å; L48-S196 WeakPolarHBondContact CB-OG 3.49Å; L48-S196 WeakPolarHBondContact CD2-OG 3.49Å; L48-S196 WeakPolarHBondContact O-CB 3.28Å; L48-S196 PolarHBondContact O-OG 2.9Å; A52-S196 WeakPolarHBondContact CA-O 3.03Å; A52-S196 WeakPolarHBondContact CB-O 3.43Å; C192-S196 VanDerWaalsContact O-CB 3.23Å; C192-S196 WeakPolarHBondContact O-CB 3.48Å; C192-S196 PolarHBondContact O-N 3.37Å; C192-S196 VanDerWaalsContact O-N 3.11Å; C192-S196 PolarHBondContact O-OG 3.42Å; L193-S196 PolarHBondContact O-N 3.2Å
197	T	94	Very high	95.9	Very high	21 Å²	21	27.8 Å²	27.8	13%	0.129	14%	0.143	C	C	.	.	S	Bend	trans	-148.1	159.2	-166.4	72.8	0	0	0	0	111.6	I51 M55 L193	I51-T197 HydrophobicContact CG2-CG2 4.36Å; M55-T197 HydrophobicContact CB-CG2 3.38Å; M55-T197 HydrophobicContact CG-CG2 3.79Å; L193-T197 WeakPolarHBondContact O-CA 3.33Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 3.34Å
198	D	94	Very high	95.8	Very high	148 Å²	148	25.6 Å²	25.6	79%	0.791	13%	0.132	S	C	*	.			trans	-83.8	114.5	165.4	-62.1	-46	0	0	0	109.3	K61	K61-D198 VanDerWaalsContact CD-O 3.23Å; K61-D198 WeakPolarHBondContact CD-O 3.46Å
199	V	97.5	Very high	95.7	Very high	17 Å²	17	27.9 Å²	27.9	10%	0.103	14%	0.141	C	C	.	.			trans	-98.6	129.5	176.1	176.4	0	0	0	0	108.4	K61 L63 L193 L194 L228	K61-V199 WeakPolarHBondContact O-CG1 3.4Å; L63-V199 HydrophobicContact CD1-CG1 3.28Å; L63-V199 HydrophobicContact CD1-CG2 4.47Å; L193-V199 HydrophobicContact CB-CG2 3.67Å; L194-V199 HydrophobicContact CD2-CB 4.38Å; L194-V199 HydrophobicContact CD2-CG2 4.37Å; V199-L228 HydrophobicContact CB-CD1 4.47Å; V199-L228 HydrophobicContact CG1-CD1 3.8Å
200	D	98.3	Very high	95.4	Very high	36 Å²	36	30.5 Å²	30.5	19%	0.193	15%	0.154	C	C	.	.			trans	-64.4	-45.6	178.5	-61.2	-100.9	0	0	0	111.3	H60 K61 P229 F313	H60-D200 WeakPolarHBondContact CA-OD2 3.45Å; H60-D200 IonicContact CE1-OD1 3.26Å; H60-D200 IonicContact CG-OD1 3.89Å; H60-D200 IonicContact ND1-OD1 3.37Å; H60-D200 PolarHBondContact ND1-OD1 3.46Å; H60-D200 IonicContact ND1-OD2 2.71Å; K61-D200 PolarHBondContact N-OD2 3.14Å; K61-D200 PolarHBondContact O-N 2.8Å; K61-D200 VanDerWaalsContact O-N 3.13Å; D200-P229 WeakPolarHBondContact O-CB 3.46Å; D200-F313 WeakPolarHBondContact O-CE1 3.45Å
201	G	98.2	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.1	-165.7	171.5	0	0	0	0	0	114	I62 L63 P229	I62-G201 WeakPolarHBondContact CA-O 3.26Å; L63-G201 PolarHBondContact N-O 3.32Å; G201-P229 CarbonylContact C-O 3.54Å; G201-P229 WeakPolarHBondContact CA-O 3.12Å
202	A	98.5	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.9	-179.7	0	0	0	0	0	112.6	L63 L65 L228 P229 I231	L63-A202 HydrophobicContact CB-CB 4.47Å; L63-A202 CarbonylContact O-C 3.59Å; L63-A202 VanDerWaalsContact O-CA 3.26Å; L63-A202 WeakPolarHBondContact O-CA 3.41Å; L65-A202 HydrophobicContact CD1-CB 3.52Å; L65-A202 HydrophobicContact CG-CB 3.87Å; A202-L228 HydrophobicContact CB-CD2 3.88Å; A202-L228 HydrophobicContact CB-CG 4.18Å; A202-P229 PolarHBondContact N-O 2.89Å; A202-I231 PolarHBondContact O-N 3.12Å
203	V	98.7	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.1	162.1	177.3	0	0	0	0	107.9	I62 L63 I64 L65 I231 G232 V234 L271 I310	I62-V203 HydrophobicContact CG2-CG2 3.97Å; L63-V203 PolarHBondContact O-N 2.71Å; I64-V203 WeakPolarHBondContact CA-O 3.48Å; I64-V203 HydrophobicContact CD1-CB 3.89Å; I64-V203 HydrophobicContact CD1-CG2 4.31Å; L65-V203 PolarHBondContact N-O 2.9Å; V203-I231 HydrophobicContact CG2-CB 4.07Å; V203-I231 HydrophobicContact CG2-CD1 4.21Å; V203-I231 HydrophobicContact CG2-CG2 4.25Å; V203-G232 WeakPolarHBondContact CA-O 3.49Å; V203-V234 HydrophobicContact CG1-CG2 3.76Å; V203-L271 HydrophobicContact CG1-CD1 3.99Å; V203-L271 HydrophobicContact CG2-CD1 4.16Å; V203-I310 HydrophobicContact CG2-CD1 4.01Å; V203-I310 HydrophobicContact CG2-CG1 4.25Å
204	V	98.2	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.9	-178.4	-168.7	0	0	0	0	110.4	L65 V216 E219 L220 G232 V233 V234	L65-V204 HydrophobicContact CB-CG2 4.38Å; L65-V204 WeakPolarHBondContact O-CA 3.1Å; V204-V216 HydrophobicContact CG1-CG1 3.74Å; V204-V216 HydrophobicContact CG1-CG2 4.3Å; V204-E219 HydrophobicContact CG1-CG 4.19Å; V204-L220 HydrophobicContact CG2-CD2 4.01Å; V204-G232 PolarHBondContact N-O 2.94Å; V204-V233 HydrophobicContact CB-CG2 4.42Å; V204-V233 CarbonylContact O-C 3.54Å; V204-V233 VanDerWaalsContact O-CA 3.27Å; V204-V233 WeakPolarHBondContact O-CA 3.33Å; V204-V233 WeakPolarHBondContact O-CG1 3.48Å; V204-V234 PolarHBondContact O-N 3.41Å
205	V	98	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.3	-176.5	-171.9	0	0	0	0	110.4	I64 L65 V71 V76 N236	I64-V205 HydrophobicContact CG2-CG2 3.8Å; L65-V205 PolarHBondContact O-N 3.1Å; V71-V205 HydrophobicContact CG2-CB 4.23Å; V71-V205 HydrophobicContact CG2-CG1 4Å; V76-V205 HydrophobicContact CB-CG2 3.89Å; V76-V205 HydrophobicContact CG1-CG2 3.74Å; V76-V205 HydrophobicContact CG2-CG1 3.9Å; V76-V205 HydrophobicContact CG2-CG2 3.99Å; V205-N236 HydrophobicContact CG1-CB 4.09Å
206	T	95.9	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	167.3	176.3	-168.7	0	0	0	0	111.8	S212 L213 V233 V234 E235 N236 A259	T206-S212 WeakPolarHBondContact OG1-CB 3.36Å; T206-S212 PolarHBondContact OG1-OG 3.21Å; T206-L213 HydrophobicContact CG2-CD2 3.88Å; T206-V233 HydrophobicContact CG2-CG1 3.96Å; T206-V234 PolarHBondContact N-O 3.3Å; T206-E235 HydrophobicContact CG2-CB 4.48Å; T206-E235 CarbonylContact O-C 3.26Å; T206-E235 WeakPolarHBondContact O-CA 3.48Å; T206-N236 PolarHBondContact O-N 3.46Å; T206-A259 HydrophobicContact CG2-CB 4.11Å
207	T	93.8	Very high	94.7	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.031	15%	0.149	C	C	.	.			trans	-106.1	165.8	161.9	65.9	0	0	0	0	111.1	V71 Q209 S212 N236 M237	V71-T207 HydrophobicContact CB-CG2 4.04Å; V71-T207 HydrophobicContact CG1-CG2 4.16Å; T207-Q209 PolarHBondContact O-N 3.29Å; T207-Q209 VanDerWaalsContact O-N 3.14Å; T207-S212 PolarHBondContact N-OG 3.07Å; T207-S212 WeakPolarHBondContact OG1-CB 3.27Å; T207-N236 WeakPolarHBondContact CA-O 3.49Å; T207-M237 HydrophobicContact CG2-CB 4.3Å; T207-M237 HydrophobicContact CG2-CG 4.38Å; T207-M237 HydrophobicContact CG2-SD 4.1Å
208	P	91.7	Very high	94.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.013	17%	0.17	C	C	.	.	S	Bend	trans	-66.1	-13.6	-178	-19.7	29.6	0	0	0	114.7	E235 N236 F252 E254	P208-E235 HydrophobicContact CG-CG 3.94Å; P208-N236 WeakPolarHBondContact CD-O 3.28Å; P208-F252 HydrophobicContact CB-CB 4.24Å; P208-F252 HydrophobicContact CG-CB 4.44Å; P208-E254 HydrophobicContact CB-CG 4.11Å
209	Q	90.6	Very high	94.9	Very high	68 Å²	68	26.5 Å²	26.5	32%	0.318	13%	0.133	S	C	.	.	S	Bend	trans	-66.2	134.4	-177.9	-62	171.2	-24	0	0	111.2	T207 V211 S212 L213 F252	T207-Q209 PolarHBondContact O-N 3.29Å; T207-Q209 VanDerWaalsContact O-N 3.14Å; Q209-V211 PolarHBondContact O-N 3.44Å; Q209-V211 VanDerWaalsContact O-N 3.11Å; Q209-S212 WeakPolarHBondContact O-CA 3.23Å; Q209-S212 WeakPolarHBondContact O-CB 3.49Å; Q209-S212 PolarHBondContact O-N 2.72Å; Q209-L213 PolarHBondContact O-N 2.75Å; Q209-F252 HydrophobicContact CG-CB 3.87Å; Q209-F252 HydrophobicContact CG-CD1 3.8Å; Q209-F252 HydrophobicContact CG-CD2 4.33Å; Q209-F252 HydrophobicContact CG-CE1 4.45Å; Q209-F252 HydrophobicContact CG-CG 3.72Å
210	E	90.9	Very high	94.8	Very high	56 Å²	56	25.7 Å²	25.7	26%	0.262	13%	0.128	S	C	.	.	H	α-helix	trans	-57	-33.1	-179.4	-172.8	56.7	-143.5	0	0	113.3	S212 L213 S214 R217 T256	E210-S212 VanDerWaalsContact C-N 3.33Å; E210-S212 PolarHBondContact O-N 3.41Å; E210-L213 PolarHBondContact O-N 2.99Å; E210-S214 WeakPolarHBondContact O-CB 3.35Å; E210-S214 PolarHBondContact O-N 3.48Å; E210-R217 IonicContact OE1-CZ 2.62Å; E210-R217 IonicContact OE1-NH1 3.12Å; E210-R217 PolarHBondContact OE1-NH1 2.8Å; E210-R217 IonicContact OE1-NH2 3.57Å; E210-R217 PolarHBondContact OE1-NH2 2.87Å; E210-T256 HydrophobicContact CG-CG2 4.36Å; E210-T256 WeakPolarHBondContact OE2-CB 3.47Å; E210-T256 VanDerWaalsContact OE2-CG2 3.23Å; E210-T256 WeakPolarHBondContact OE2-CG2 3.16Å; E210-T256 PolarHBondContact OE2-OG1 3.48Å
211	V	90.3	Very high	94.7	Very high	96 Å²	96	27.5 Å²	27.5	58%	0.582	14%	0.138	S	C	*	.	H	α-helix	trans	-59.3	-45.3	174.9	-178.4	0	0	0	0	110.6	Q209 S214	Q209-V211 PolarHBondContact O-N 3.44Å; Q209-V211 VanDerWaalsContact O-N 3.11Å; V211-S214 PolarHBondContact O-N 2.9Å; V211-S214 PolarHBondContact O-OG 3.23Å
212	S	91.9	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-47.1	175.9	-167.1	0	0	0	0	111.7	K68 T206 T207 Q209 E210 S214 D215 V216	K68-S212 VanDerWaalsContact CE-CB 3.49Å; T206-S212 WeakPolarHBondContact OG1-CB 3.36Å; T206-S212 PolarHBondContact OG1-OG 3.21Å; T207-S212 PolarHBondContact N-OG 3.07Å; T207-S212 WeakPolarHBondContact OG1-CB 3.27Å; Q209-S212 WeakPolarHBondContact O-CA 3.23Å; Q209-S212 WeakPolarHBondContact O-CB 3.49Å; Q209-S212 PolarHBondContact O-N 2.72Å; E210-S212 VanDerWaalsContact C-N 3.33Å; E210-S212 PolarHBondContact O-N 3.41Å; S212-S214 PolarHBondContact O-N 3.01Å; S212-D215 PolarHBondContact O-N 3.44Å; S212-D215 VanDerWaalsContact O-N 3.17Å; S212-V216 WeakPolarHBondContact O-CG2 3.29Å; S212-V216 PolarHBondContact O-N 2.82Å
213	L	92.8	Very high	94.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-33.8	179.7	-63.6	172.8	0	0	0	111.6	T206 Q209 E210 D215 V216 R217 A259 M262	T206-L213 HydrophobicContact CG2-CD2 3.88Å; Q209-L213 PolarHBondContact O-N 2.75Å; E210-L213 PolarHBondContact O-N 2.99Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-D215 PolarHBondContact O-N 2.86Å; L213-V216 PolarHBondContact O-N 2.54Å; L213-R217 WeakPolarHBondContact O-CG 2.87Å; L213-R217 PolarHBondContact O-N 3.46Å; L213-A259 HydrophobicContact CD2-CB 4.16Å; L213-M262 HydrophobicContact CB-SD 4.38Å; L213-M262 HydrophobicContact CD2-CE 4.11Å; L213-M262 HydrophobicContact CD2-SD 3.98Å
214	S	92.5	Very high	94.3	Very high	37 Å²	37	34.1 Å²	34.1	26%	0.259	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-38	177.7	81.4	0	0	0	0	113.4	E210 V211 S212 R217	E210-S214 WeakPolarHBondContact O-CB 3.35Å; E210-S214 PolarHBondContact O-N 3.48Å; V211-S214 PolarHBondContact O-N 2.9Å; V211-S214 PolarHBondContact O-OG 3.23Å; S212-S214 PolarHBondContact O-N 3.01Å; S214-R217 VanDerWaalsContact CA-NH2 3.31Å
215	D	94.1	Very high	94.2	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.193	20%	0.203	C	C	.	.	H	α-helix	trans	-77.6	-36.9	176.9	-65.5	-39.1	0	0	0	111.2	S212 L213 R217 K218 E219	S212-D215 PolarHBondContact O-N 3.44Å; S212-D215 VanDerWaalsContact O-N 3.17Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-D215 PolarHBondContact O-N 2.86Å; D215-R217 VanDerWaalsContact C-N 3.28Å; D215-R217 PolarHBondContact O-N 2.96Å; D215-K218 WeakPolarHBondContact O-CA 3.43Å; D215-K218 WeakPolarHBondContact O-CB 3.45Å; D215-K218 PolarHBondContact O-N 2.85Å; D215-K218 IonicContact OD1-NZ 2.74Å; D215-K218 PolarHBondContact OD1-NZ 3.22Å; D215-E219 PolarHBondContact O-N 3.14Å
216	V	94.4	Very high	94	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-34.5	173.8	171.8	0	0	0	0	112.2	V204 S212 L213 K218 E219 L220 M262	V204-V216 HydrophobicContact CG1-CG1 3.74Å; V204-V216 HydrophobicContact CG1-CG2 4.3Å; S212-V216 WeakPolarHBondContact O-CG2 3.29Å; S212-V216 PolarHBondContact O-N 2.82Å; L213-V216 PolarHBondContact O-N 2.54Å; V216-K218 VanDerWaalsContact C-N 3.27Å; V216-K218 PolarHBondContact O-N 3.42Å; V216-E219 WeakPolarHBondContact O-CB 3.41Å; V216-E219 PolarHBondContact O-N 3.5Å; V216-E219 VanDerWaalsContact O-N 3.14Å; V216-L220 HydrophobicContact CG1-CD1 4.21Å; V216-L220 HydrophobicContact CG1-CG 4.2Å; V216-L220 WeakPolarHBondContact O-CG 3.4Å; V216-L220 PolarHBondContact O-N 3.13Å; V216-M262 HydrophobicContact CB-CE 4.39Å; V216-M262 HydrophobicContact CB-SD 4.14Å; V216-M262 HydrophobicContact CG1-CE 3.53Å; V216-M262 HydrophobicContact CG1-SD 3.75Å
217	R	95.2	Very high	94	Very high	68 Å²	68	55.8 Å²	55.8	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-33.7	172	-73.1	-175.5	-64.5	-107.1	7.1	113	E210 L213 S214 D215 N221 M262 F266	E210-R217 IonicContact OE1-CZ 2.62Å; E210-R217 IonicContact OE1-NH1 3.12Å; E210-R217 PolarHBondContact OE1-NH1 2.8Å; E210-R217 IonicContact OE1-NH2 3.57Å; E210-R217 PolarHBondContact OE1-NH2 2.87Å; L213-R217 WeakPolarHBondContact O-CG 2.87Å; L213-R217 PolarHBondContact O-N 3.46Å; S214-R217 VanDerWaalsContact CA-NH2 3.31Å; D215-R217 VanDerWaalsContact C-N 3.28Å; D215-R217 PolarHBondContact O-N 2.96Å; R217-N221 PolarHBondContact O-N 3.08Å; R217-N221 PolarHBondContact O-ND2 3.42Å; R217-M262 HydrophobicContact CG-CG 3.82Å; R217-M262 HydrophobicContact CG-SD 3.79Å; R217-F266 HydrophobicContact CB-CE2 4.09Å; R217-F266 HydrophobicContact CB-CZ 3.8Å; R217-F266 HydrophobicContact CG-CD2 4.46Å; R217-F266 HydrophobicContact CG-CE2 3.56Å; R217-F266 HydrophobicContact CG-CZ 3.83Å
218	K	95	Very high	94.2	Very high	132 Å²	132	55.9 Å²	55.9	57%	0.574	25%	0.254	S	S	*	.	H	α-helix	trans	-70.3	-41.1	173.7	-59.6	170.8	-166.2	153.7	0	109.9	D215 V216 N221 F222	D215-K218 WeakPolarHBondContact O-CA 3.43Å; D215-K218 WeakPolarHBondContact O-CB 3.45Å; D215-K218 PolarHBondContact O-N 2.85Å; D215-K218 IonicContact OD1-NZ 2.74Å; D215-K218 PolarHBondContact OD1-NZ 3.22Å; V216-K218 VanDerWaalsContact C-N 3.27Å; V216-K218 PolarHBondContact O-N 3.42Å; K218-N221 WeakPolarHBondContact O-CB 3.47Å; K218-N221 PolarHBondContact O-N 2.82Å; K218-F222 PolarHBondContact O-N 3.1Å
219	E	95.9	Very high	94.5	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-47.5	177.2	-162.6	58.7	-154.1	0	0	112.5	L65 H186 V204 D215 V216 N221 F222 C223	L65-E219 HydrophobicContact CB-CG 4.23Å; L65-E219 HydrophobicContact CD1-CG 4.46Å; H186-E219 IonicContact CE1-OE1 3.94Å; H186-E219 PolarHBondContact CE1-OE1 3.14Å; H186-E219 IonicContact NE2-OE1 2.83Å; H186-E219 PolarHBondContact NE2-OE1 3.29Å; H186-E219 VanDerWaalsContact NE2-OE1 3.16Å; V204-E219 HydrophobicContact CG1-CG 4.19Å; D215-E219 PolarHBondContact O-N 3.14Å; V216-E219 WeakPolarHBondContact O-CB 3.41Å; V216-E219 PolarHBondContact O-N 3.5Å; V216-E219 VanDerWaalsContact O-N 3.14Å; E219-N221 VanDerWaalsContact C-N 3.28Å; E219-N221 PolarHBondContact O-N 3.09Å; E219-F222 WeakPolarHBondContact O-CA 3.46Å; E219-F222 VanDerWaalsContact O-CB 3.32Å; E219-F222 WeakPolarHBondContact O-CB 3.4Å; E219-F222 PolarHBondContact O-N 2.95Å; E219-C223 PolarHBondContact O-N 2.88Å; E219-C223 PolarHBondContact O-SG 3.18Å; E219-C223 VanDerWaalsContact O-SG 3.38Å
220	L	96.3	Very high	94.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-36.8	175.9	-65.6	173.2	0	0	0	112.1	V204 V216 R224 I230 V233 M262 F266 V268	V204-L220 HydrophobicContact CG2-CD2 4.01Å; V216-L220 HydrophobicContact CG1-CD1 4.21Å; V216-L220 HydrophobicContact CG1-CG 4.2Å; V216-L220 WeakPolarHBondContact O-CG 3.4Å; V216-L220 PolarHBondContact O-N 3.13Å; L220-R224 WeakPolarHBondContact O-CG 3.3Å; L220-R224 PolarHBondContact O-N 3.35Å; L220-R224 VanDerWaalsContact O-N 3.1Å; L220-I230 HydrophobicContact CD2-CD1 3.85Å; L220-I230 HydrophobicContact CD2-CG2 4.22Å; L220-V233 HydrophobicContact CD2-CG2 4.37Å; L220-M262 HydrophobicContact CD1-CE 4.26Å; L220-M262 HydrophobicContact CD1-CG 4.47Å; L220-M262 HydrophobicContact CD1-SD 4.35Å; L220-F266 HydrophobicContact CB-CD1 3.66Å; L220-F266 HydrophobicContact CB-CE1 3.86Å; L220-F266 HydrophobicContact CB-CG 4.44Å; L220-F266 HydrophobicContact CD1-CB 3.95Å; L220-F266 HydrophobicContact CD1-CD1 3.84Å; L220-F266 HydrophobicContact CD1-CD2 4.28Å; L220-F266 HydrophobicContact CD1-CE1 4.4Å; L220-F266 HydrophobicContact CD1-CG 3.76Å; L220-F266 HydrophobicContact CG-CD1 4.41Å; L220-V268 HydrophobicContact CD1-CG2 4.34Å; L220-V268 HydrophobicContact CD2-CG2 4.48Å
221	N	95.7	Very high	95.2	Very high	74 Å²	74	54 Å²	54	40%	0.396	25%	0.25	S	S	.	.	H	α-helix	trans	-68.8	-36.4	173.5	-77.2	-51.1	0	0	0	112.2	R217 K218 E219 R224 R225	R217-N221 PolarHBondContact O-N 3.08Å; R217-N221 PolarHBondContact O-ND2 3.42Å; K218-N221 WeakPolarHBondContact O-CB 3.47Å; K218-N221 PolarHBondContact O-N 2.82Å; E219-N221 VanDerWaalsContact C-N 3.28Å; E219-N221 PolarHBondContact O-N 3.09Å; N221-R224 PolarHBondContact O-N 3.18Å; N221-R225 WeakPolarHBondContact O-CB 3.4Å; N221-R225 VanDerWaalsContact O-CG 3.3Å; N221-R225 WeakPolarHBondContact O-CG 3.44Å; N221-R225 PolarHBondContact O-N 2.89Å
222	F	95.2	Very high	95.6	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-50.2	172.3	167.4	-96.2	0	0	0	110.9	T182 H186 I187 V190 K218 E219 R224 R225 M226	T182-F222 HydrophobicContact CG2-CB 4.33Å; T182-F222 HydrophobicContact CG2-CD2 4.32Å; T182-F222 HydrophobicContact CG2-CG 4.27Å; H186-F222 AromaticContact CD2-CE1 3.74Å; H186-F222 AromaticContact CD2-CZ 3.87Å; H186-F222 AromaticContact NE2-CD1 3.82Å; H186-F222 AromaticContact NE2-CE1 3.27Å; H186-F222 VanDerWaalsContact NE2-CE1 3.27Å; H186-F222 WeakPolarHBondContact NE2-CE1 3.47Å; H186-F222 AromaticContact NE2-CZ 3.9Å; I187-F222 HydrophobicContact CG1-CE2 4.11Å; I187-F222 HydrophobicContact CG1-CZ 4.4Å; V190-F222 HydrophobicContact CB-CE1 4.44Å; V190-F222 HydrophobicContact CB-CZ 4.28Å; V190-F222 HydrophobicContact CG1-CE1 4.07Å; V190-F222 HydrophobicContact CG1-CZ 4.04Å; V190-F222 HydrophobicContact CG2-CE1 4.13Å; V190-F222 HydrophobicContact CG2-CZ 4.37Å; K218-F222 PolarHBondContact O-N 3.1Å; E219-F222 WeakPolarHBondContact O-CA 3.46Å; E219-F222 VanDerWaalsContact O-CB 3.32Å; E219-F222 WeakPolarHBondContact O-CB 3.4Å; E219-F222 PolarHBondContact O-N 2.95Å; F222-R224 VanDerWaalsContact C-N 3.34Å; F222-R224 PolarHBondContact O-N 3Å; F222-R225 PolarHBondContact O-N 3.3Å; F222-R225 VanDerWaalsContact O-N 3.13Å; F222-M226 HydrophobicContact CD1-CG 4.5Å; F222-M226 HydrophobicContact CD2-CG 4Å; F222-M226 HydrophobicContact CE1-CG 4.11Å; F222-M226 HydrophobicContact CE2-CG 3.57Å; F222-M226 HydrophobicContact CE2-SD 4.22Å; F222-M226 HydrophobicContact CG-CG 4.45Å; F222-M226 HydrophobicContact CZ-CG 3.64Å; F222-M226 WeakPolarHBondContact O-CB 3.39Å; F222-M226 WeakPolarHBondContact O-CG 3.27Å; F222-M226 PolarHBondContact O-N 3.2Å
223	C	96.5	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.7	-48.4	176.5	-63.9	0	0	0	0	111.9	L65 E219 R225 M226 K227 L228 I230	L65-C223 VanDerWaalsContact CD1-SG 3.52Å; E219-C223 PolarHBondContact O-N 2.88Å; E219-C223 PolarHBondContact O-SG 3.18Å; E219-C223 VanDerWaalsContact O-SG 3.38Å; C223-R225 PolarHBondContact O-N 3.33Å; C223-M226 CarbonylContact O-C 3.46Å; C223-M226 PolarHBondContact O-N 2.84Å; C223-K227 PolarHBondContact O-N 2.83Å; C223-L228 HydrophobicContact CB-CB 4.2Å; C223-L228 PolarHBondContact O-N 3.02Å; C223-I230 HydrophobicContact CB-CD1 3.78Å; C223-I230 HydrophobicContact CB-CG1 3.8Å
224	R	95.6	Very high	96.2	Very high	116 Å²	116	49.4 Å²	49.4	44%	0.438	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-43.7	177.2	-74.7	172.7	170.7	-170.1	-11.4	112.8	L220 N221 F222 M226 K227 F266	L220-R224 WeakPolarHBondContact O-CG 3.3Å; L220-R224 PolarHBondContact O-N 3.35Å; L220-R224 VanDerWaalsContact O-N 3.1Å; N221-R224 PolarHBondContact O-N 3.18Å; F222-R224 VanDerWaalsContact C-N 3.34Å; F222-R224 PolarHBondContact O-N 3Å; R224-M226 VanDerWaalsContact C-N 3.34Å; R224-K227 PolarHBondContact O-N 2.82Å; R224-F266 VanDerWaalsContact NH2-C 3.28Å; R224-F266 PolarHBondContact NH2-O 3.13Å
225	R	95.5	Very high	96.3	Very high	218 Å²	218	47.7 Å²	47.7	82%	0.823	21%	0.21	S	C	*	.	H	α-helix	trans	-65.6	-38	178	-75.1	176.4	65.7	-166.3	-0.6	112.2	N221 F222 C223 K227	N221-R225 WeakPolarHBondContact O-CB 3.4Å; N221-R225 VanDerWaalsContact O-CG 3.3Å; N221-R225 WeakPolarHBondContact O-CG 3.44Å; N221-R225 PolarHBondContact O-N 2.89Å; F222-R225 PolarHBondContact O-N 3.3Å; F222-R225 VanDerWaalsContact O-N 3.13Å; C223-R225 PolarHBondContact O-N 3.33Å; R225-K227 PolarHBondContact O-N 3.48Å
226	M	94.7	Very high	96.3	Very high	56 Å²	56	46.4 Å²	46.4	28%	0.276	20%	0.203	S	C	.	.	H	α-helix	trans	-79.1	-7.8	176.9	-67.6	-57	-64.1	0	0	113	V190 Q191 L194 F222 C223 R224 L228	V190-M226 HydrophobicContact CG1-CE 4.41Å; Q191-M226 HydrophobicContact CG-CE 3.52Å; L194-M226 HydrophobicContact CD1-CB 4.02Å; L194-M226 HydrophobicContact CD1-CE 4.27Å; F222-M226 HydrophobicContact CD1-CG 4.5Å; F222-M226 HydrophobicContact CD2-CG 4Å; F222-M226 HydrophobicContact CE1-CG 4.11Å; F222-M226 HydrophobicContact CE2-CG 3.57Å; F222-M226 HydrophobicContact CE2-SD 4.22Å; F222-M226 HydrophobicContact CG-CG 4.45Å; F222-M226 HydrophobicContact CZ-CG 3.64Å; F222-M226 WeakPolarHBondContact O-CB 3.39Å; F222-M226 WeakPolarHBondContact O-CG 3.27Å; F222-M226 PolarHBondContact O-N 3.2Å; C223-M226 CarbonylContact O-C 3.46Å; C223-M226 PolarHBondContact O-N 2.84Å; R224-M226 VanDerWaalsContact C-N 3.34Å; M226-L228 PolarHBondContact O-N 2.88Å
227	K	96	Very high	96.1	Very high	181 Å²	181	49.2 Å²	49.2	79%	0.787	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	31.8	-170.6	-52.6	179.5	179.8	-179.7	0	112.7	C223 R224 R225 P229	C223-K227 PolarHBondContact O-N 2.83Å; R224-K227 PolarHBondContact O-N 2.82Å; R225-K227 PolarHBondContact O-N 3.48Å; K227-P229 WeakPolarHBondContact O-CD 3.42Å
228	L	97.3	Very high	95.6	Very high	6 Å²	6	46 Å²	46	3%	0.031	21%	0.205	C	C	.	.			trans	-77.6	120.7	171.2	179	59.6	0	0	0	108.6	L63 L65 V190 L194 V199 A202 C223 M226	L63-L228 HydrophobicContact CD1-CD1 4.09Å; L65-L228 HydrophobicContact CD1-CD2 4.07Å; V190-L228 HydrophobicContact CG1-CD2 4.23Å; L194-L228 HydrophobicContact CD1-CB 4.22Å; L194-L228 HydrophobicContact CD2-CD1 3.87Å; L194-L228 HydrophobicContact CG-CD1 4.48Å; V199-L228 HydrophobicContact CB-CD1 4.47Å; V199-L228 HydrophobicContact CG1-CD1 3.8Å; A202-L228 HydrophobicContact CB-CD2 3.88Å; A202-L228 HydrophobicContact CB-CG 4.18Å; C223-L228 HydrophobicContact CB-CB 4.2Å; C223-L228 PolarHBondContact O-N 3.02Å; M226-L228 PolarHBondContact O-N 2.88Å
229	P	97.9	Very high	95.3	Very high	55 Å²	55	42.7 Å²	42.7	36%	0.357	19%	0.189	S	C	.	.			trans	-59.7	146.7	174.2	-22.3	33.8	0	0	0	111.2	D200 G201 A202 K227	D200-P229 WeakPolarHBondContact O-CB 3.46Å; G201-P229 CarbonylContact C-O 3.54Å; G201-P229 WeakPolarHBondContact CA-O 3.12Å; A202-P229 PolarHBondContact N-O 2.89Å; K227-P229 WeakPolarHBondContact O-CD 3.42Å
230	I	98.3	Very high	94.9	Very high	30 Å²	30	45.2 Å²	45.2	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.7	180	-57.8	167.4	0	0	0	106.8	L220 C223 G232 V268	L220-I230 HydrophobicContact CD2-CD1 3.85Å; L220-I230 HydrophobicContact CD2-CG2 4.22Å; C223-I230 HydrophobicContact CB-CD1 3.78Å; C223-I230 HydrophobicContact CB-CG1 3.8Å; I230-G232 VanDerWaalsContact C-N 3.33Å; I230-V268 HydrophobicContact CB-CG1 4.24Å; I230-V268 HydrophobicContact CD1-CG1 3.98Å; I230-V268 HydrophobicContact CG2-CB 4.37Å; I230-V268 HydrophobicContact CG2-CG1 3.99Å
231	I	98.5	Very high	94.2	Very high	3 Å²	3	46 Å²	46	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-41.8	175.7	-57.7	-176.8	0	0	0	109.1	I62 A202 V203 L271 I310 F313	I62-I231 HydrophobicContact CB-CD1 4.44Å; I62-I231 HydrophobicContact CD1-CD1 4.06Å; I62-I231 HydrophobicContact CG1-CD1 3.93Å; I62-I231 HydrophobicContact CG2-CD1 3.82Å; A202-I231 PolarHBondContact O-N 3.12Å; V203-I231 HydrophobicContact CG2-CB 4.07Å; V203-I231 HydrophobicContact CG2-CD1 4.21Å; V203-I231 HydrophobicContact CG2-CG2 4.25Å; I231-L271 HydrophobicContact CG2-CD1 4.33Å; I231-L271 HydrophobicContact CG2-CD2 4.38Å; I231-I310 HydrophobicContact CG2-CB 4.49Å; I231-I310 HydrophobicContact CG2-CG1 4.12Å; I231-F313 HydrophobicContact CB-CD1 4.35Å; I231-F313 HydrophobicContact CB-CG 4.38Å; I231-F313 HydrophobicContact CD1-CD1 4.21Å; I231-F313 HydrophobicContact CD1-CE1 4.49Å; I231-F313 HydrophobicContact CG1-CD1 3.74Å; I231-F313 HydrophobicContact CG1-CE1 3.75Å; I231-F313 HydrophobicContact CG1-CG 4.27Å; I231-F313 HydrophobicContact CG1-CZ 4.24Å; I231-F313 HydrophobicContact CG2-CB 3.96Å; I231-F313 HydrophobicContact CG2-CD1 4.17Å; I231-F313 HydrophobicContact CG2-CD2 4.25Å; I231-F313 HydrophobicContact CG2-CG 3.87Å
232	G	98.4	Very high	93.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-170	172.8	0	0	0	0	0	112.8	V203 V204 I230 D269	V203-G232 WeakPolarHBondContact CA-O 3.49Å; V204-G232 PolarHBondContact N-O 2.94Å; I230-G232 VanDerWaalsContact C-N 3.33Å; G232-D269 CarbonylContact C-O 3.52Å; G232-D269 WeakPolarHBondContact CA-O 3.5Å
233	V	98.3	Very high	92.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139	-177	-178.8	0	0	0	0	110.2	V204 T206 L220 M262 V268 D269 L270 L271	V204-V233 HydrophobicContact CB-CG2 4.42Å; V204-V233 CarbonylContact O-C 3.54Å; V204-V233 VanDerWaalsContact O-CA 3.27Å; V204-V233 WeakPolarHBondContact O-CA 3.33Å; V204-V233 WeakPolarHBondContact O-CG1 3.48Å; T206-V233 HydrophobicContact CG2-CG1 3.96Å; L220-V233 HydrophobicContact CD2-CG2 4.37Å; V233-M262 HydrophobicContact CG1-CE 4.06Å; V233-M262 HydrophobicContact CG2-CE 4.33Å; V233-V268 HydrophobicContact CG2-CG2 4.05Å; V233-D269 PolarHBondContact N-O 3.17Å; V233-L270 HydrophobicContact CB-CD1 4.37Å; V233-L270 HydrophobicContact CG1-CD1 4.41Å; V233-L270 WeakPolarHBondContact O-CD1 3.47Å; V233-L271 WeakPolarHBondContact O-CB 3.41Å; V233-L271 PolarHBondContact O-N 2.95Å
234	V	97.8	Very high	91.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.9	168.9	176.2	0	0	0	0	108.8	V76 V203 V204 T206 N236 L271 V274 I306	V76-V234 HydrophobicContact CG2-CG1 4.39Å; V203-V234 HydrophobicContact CG1-CG2 3.76Å; V204-V234 PolarHBondContact O-N 3.41Å; T206-V234 PolarHBondContact N-O 3.3Å; V234-N236 PolarHBondContact O-N 3.4Å; V234-L271 HydrophobicContact CG2-CB 4.16Å; V234-L271 HydrophobicContact CG2-CD1 4.05Å; V234-V274 HydrophobicContact CG1-CG2 3.77Å; V234-I306 HydrophobicContact CG1-CD1 4.2Å; V234-I306 HydrophobicContact CG2-CG2 3.84Å
235	E	95.3	Very high	91.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	98.5	171	-172.3	180	77	0	0	109.1	T206 P208 A259 L270 G272 K273 V274	T206-E235 HydrophobicContact CG2-CB 4.48Å; T206-E235 CarbonylContact O-C 3.26Å; T206-E235 WeakPolarHBondContact O-CA 3.48Å; P208-E235 HydrophobicContact CG-CG 3.94Å; E235-A259 HydrophobicContact CB-CB 3.84Å; E235-A259 HydrophobicContact CG-CB 4.03Å; E235-A259 WeakPolarHBondContact OE2-CB 3.42Å; E235-A259 PolarHBondContact OE2-N 3.46Å; E235-L270 HydrophobicContact CB-CD1 4.37Å; E235-G272 PolarHBondContact N-O 3.06Å; E235-K273 HydrophobicContact CB-CG 4.11Å; E235-K273 CarbonylContact O-C 3.53Å; E235-K273 VanDerWaalsContact O-CA 3.25Å; E235-K273 WeakPolarHBondContact O-CA 3.16Å; E235-K273 VanDerWaalsContact OE1-CD 3.27Å; E235-K273 WeakPolarHBondContact OE1-CD 3.34Å; E235-K273 WeakPolarHBondContact OE1-CE 3.21Å; E235-K273 IonicContact OE1-NZ 2.78Å; E235-V274 PolarHBondContact O-N 3.43Å
236	N	94.1	Very high	90.3	Very high	9 Å²	9	50 Å²	50	5%	0.048	25%	0.254	C	S	.	.			trans	-81.2	158.5	176.2	-165.9	18.9	0	0	0	111.4	V71 V205 T206 T207 P208 V234 S238	V71-N236 PolarHBondContact O-ND2 2.79Å; V205-N236 HydrophobicContact CG1-CB 4.09Å; T206-N236 PolarHBondContact O-N 3.46Å; T207-N236 WeakPolarHBondContact CA-O 3.49Å; P208-N236 WeakPolarHBondContact CD-O 3.28Å; V234-N236 PolarHBondContact O-N 3.4Å; N236-S238 VanDerWaalsContact C-N 3.27Å; N236-S238 PolarHBondContact O-N 3.26Å
237	M	90.1	Very high	89.9	Confident	59 Å²	59	54.4 Å²	54.4	29%	0.291	27%	0.272	S	S	.	.	S	Bend	trans	57.4	35.3	177.3	-50.5	-178.7	-178.4	0	0	114.6	T207 F252 V274 V276	T207-M237 HydrophobicContact CG2-CB 4.3Å; T207-M237 HydrophobicContact CG2-CG 4.38Å; T207-M237 HydrophobicContact CG2-SD 4.1Å; M237-F252 HydrophobicContact CB-CE2 4.36Å; M237-V274 PolarHBondContact N-O 3.18Å; M237-V274 VanDerWaalsContact N-O 3.17Å; M237-V276 HydrophobicContact CB-CG2 3.52Å; M237-V276 HydrophobicContact CG-CG2 3.95Å
238	S	86	Confident	89.4	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	26%	0.259	C	S	.	.			trans	-72.2	-47.3	-173.1	53.1	0	0	0	0	113.6	N236 V274	N236-S238 VanDerWaalsContact C-N 3.27Å; N236-S238 PolarHBondContact O-N 3.26Å; S238-V274 PolarHBondContact N-O 2.96Å; S238-V274 VanDerWaalsContact N-O 3.09Å; S238-V274 PolarHBondContact OG-O 3.43Å
239	W	87.9	Confident	88.9	Confident	63 Å²	63	52.7 Å²	52.7	24%	0.239	28%	0.275	C	S	.	.			trans	-137	151.4	177.2	-60.6	-88.8	0	0	0	111.8	S249 K250 K273 L275 V276	W239-S249 WeakPolarHBondContact CA-O 3.41Å; W239-K250 VanDerWaalsContact CD1-CG 3.47Å; W239-K273 HydrophobicContact CE3-CB 4.39Å; W239-K273 HydrophobicContact CH2-CB 4.33Å; W239-K273 HydrophobicContact CH2-CD 3.21Å; W239-K273 HydrophobicContact CH2-CG 4.38Å; W239-K273 HydrophobicContact CZ2-CD 4.31Å; W239-K273 HydrophobicContact CZ3-CB 3.57Å; W239-K273 HydrophobicContact CZ3-CD 3.35Å; W239-K273 HydrophobicContact CZ3-CG 4.1Å; W239-L275 HydrophobicContact CB-CD2 3.62Å; W239-L275 HydrophobicContact CD2-CD2 4.48Å; W239-L275 HydrophobicContact CE3-CD2 3.95Å; W239-L275 HydrophobicContact CG-CD2 4.41Å; W239-L275 CarbonylContact O-C 3.59Å; W239-L275 WeakPolarHBondContact O-CA 3.31Å; W239-V276 PolarHBondContact O-N 3.29Å
240	F	87.1	Confident	88.3	Confident	54 Å²	54	55.1 Å²	55.1	24%	0.237	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.7	167.6	177.4	-107.1	0	0	0	110	C242 L248 S249 L251 V276 P278	F240-C242 HydrophobicContact CE1-CB 4.17Å; F240-L248 CarbonylContact O-C 3.43Å; F240-L248 WeakPolarHBondContact O-CA 3.42Å; F240-S249 PolarHBondContact N-O 3Å; F240-S249 PolarHBondContact O-N 2.9Å; F240-L251 HydrophobicContact CB-CD1 3.85Å; F240-L251 HydrophobicContact CB-CD2 3.82Å; F240-L251 HydrophobicContact CB-CG 3.68Å; F240-L251 HydrophobicContact CG-CD2 4.45Å; F240-V276 HydrophobicContact CD2-CB 4.42Å; F240-V276 HydrophobicContact CD2-CG1 4.24Å; F240-P278 HydrophobicContact CE2-CG 3.9Å
241	A	81.9	Confident	87.5	Confident	17 Å²	17	57.4 Å²	57.4	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.4	169.5	0	0	0	0	0	109.1	P243 L248	A241-P243 WeakPolarHBondContact O-CD 3.29Å; A241-L248 HydrophobicContact CB-CD2 3.71Å
242	C	80.1	Confident	86.7	Confident	32 Å²	32	60.4 Å²	60.4	22%	0.216	31%	0.305	C	S	.	.			trans	-61.8	122.9	178.3	178.8	0	0	0	0	110.3	F240 K244 C245 Q246 K247	F240-C242 HydrophobicContact CE1-CB 4.17Å; C242-K244 PolarHBondContact O-N 3Å; C242-K244 VanDerWaalsContact O-N 3.15Å; C242-C245 PolarHBondContact O-N 3.36Å; C242-C245 VanDerWaalsContact SG-SG 3.62Å; C242-Q246 WeakPolarHBondContact O-CA 3.32Å; C242-Q246 PolarHBondContact O-N 2.86Å; C242-K247 PolarHBondContact N-O 3.23Å
243	P	74.8	Confident	85.8	Confident	93 Å²	93	64.8 Å²	64.8	60%	0.604	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26	-176.5	23.5	-33.2	0	0	0	112.9	A241 Q246	A241-P243 WeakPolarHBondContact O-CD 3.29Å; P243-Q246 PolarHBondContact O-NE2 2.99Å
244	K	80.5	Confident	84.9	Confident	201 Å²	201	67 Å²	67	87%	0.874	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-38.4	-177.3	-171.1	176	-178.8	179.1	0	113.9	C242	C242-K244 PolarHBondContact O-N 3Å; C242-K244 VanDerWaalsContact O-N 3.15Å
245	C	84.5	Confident	84.1	Confident	84 Å²	84	72.5 Å²	72.5	57%	0.568	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	0.2	-173.6	69.7	0	0	0	0	114.5	C242 K247	C242-C245 PolarHBondContact O-N 3.36Å; C242-C245 VanDerWaalsContact SG-SG 3.62Å; C245-K247 PolarHBondContact O-N 3.46Å
246	Q	77.3	Confident	83.5	Confident	107 Å²	107	75.1 Å²	75.1	50%	0.5	39%	0.393	S	S	.	.			trans	59.5	8.4	-179.4	-56.5	-61.5	-50.6	0	0	115.2	C242 P243 L248	C242-Q246 WeakPolarHBondContact O-CA 3.32Å; C242-Q246 PolarHBondContact O-N 2.86Å; P243-Q246 PolarHBondContact O-NE2 2.99Å; Q246-L248 PolarHBondContact O-N 3.38Å
247	K	86	Confident	83.1	Confident	147 Å²	147	76.5 Å²	76.5	64%	0.639	41%	0.41	S	S	*	.			trans	-64.1	127.7	174.4	-174.4	176.7	179.7	179.7	0	110	C242 C245	C242-K247 PolarHBondContact N-O 3.23Å; C245-K247 PolarHBondContact O-N 3.46Å
248	L	84.7	Confident	83	Confident	101 Å²	101	73.9 Å²	73.9	53%	0.529	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.5	172.8	-61.7	179.3	0	0	0	110.3	F240 A241 Q246 L275	F240-L248 CarbonylContact O-C 3.43Å; F240-L248 WeakPolarHBondContact O-CA 3.42Å; A241-L248 HydrophobicContact CB-CD2 3.71Å; Q246-L248 PolarHBondContact O-N 3.38Å; L248-L275 HydrophobicContact CD2-CD2 4.42Å
249	S	86.6	Confident	83.3	Confident	50 Å²	50	73.8 Å²	73.8	35%	0.35	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.5	174.8	-55.3	0	0	0	0	109.6	W239 F240 L251	W239-S249 WeakPolarHBondContact CA-O 3.41Å; F240-S249 PolarHBondContact N-O 3Å; F240-S249 PolarHBondContact O-N 2.9Å; S249-L251 PolarHBondContact O-N 2.93Å
250	K	86.3	Confident	83.6	Confident	106 Å²	106	75.4 Å²	75.4	46%	0.461	41%	0.408	S	S	.	.			trans	-72.2	110.6	169.4	-72.1	-172.4	176.3	-159	0	108.4	W239 E254	W239-K250 VanDerWaalsContact CD1-CG 3.47Å; K250-E254 WeakPolarHBondContact CD-OE2 3.25Å; K250-E254 IonicContact NZ-OE1 2.93Å; K250-E254 PolarHBondContact NZ-OE1 3.37Å; K250-E254 IonicContact NZ-OE2 2.9Å; K250-E254 PolarHBondContact NZ-OE2 3.08Å
251	L	80.9	Confident	83.9	Confident	79 Å²	79	78.7 Å²	78.7	41%	0.414	42%	0.422	S	S	.	.	S	Bend	trans	-72	-36.2	175.4	-68.7	178.5	0	0	0	111.4	F240 S249 V276	F240-L251 HydrophobicContact CB-CD1 3.85Å; F240-L251 HydrophobicContact CB-CD2 3.82Å; F240-L251 HydrophobicContact CB-CG 3.68Å; F240-L251 HydrophobicContact CG-CD2 4.45Å; S249-L251 PolarHBondContact O-N 2.93Å; L251-V276 HydrophobicContact CD1-CB 4.02Å; L251-V276 HydrophobicContact CD1-CG1 4.24Å; L251-V276 HydrophobicContact CD1-CG2 3.62Å
252	F	82.1	Confident	84.5	Confident	65 Å²	65	78.2 Å²	78.2	29%	0.285	42%	0.417	S	S	.	.	S	Bend	trans	-125	94.6	179.8	-53.5	-61.8	0	0	0	109	P208 Q209 M237 E254	P208-F252 HydrophobicContact CB-CB 4.24Å; P208-F252 HydrophobicContact CG-CB 4.44Å; Q209-F252 HydrophobicContact CG-CB 3.87Å; Q209-F252 HydrophobicContact CG-CD1 3.8Å; Q209-F252 HydrophobicContact CG-CD2 4.33Å; Q209-F252 HydrophobicContact CG-CE1 4.45Å; Q209-F252 HydrophobicContact CG-CG 3.72Å; M237-F252 HydrophobicContact CB-CE2 4.36Å; F252-E254 PolarHBondContact O-N 3.5Å
253	P	79.1	Confident	85.3	Confident	92 Å²	92	76.9 Å²	76.9	60%	0.597	41%	0.408	S	S	*	.			trans	-58.5	132.2	176.7	-23.3	33.7	0	0	0	111.3	T255	P253-T255 PolarHBondContact O-N 3.06Å
254	E	80.1	Confident	86.4	Confident	46 Å²	46	79.4 Å²	79.4	22%	0.215	41%	0.411	C	S	.	.			trans	-77.6	113.8	179.2	-44.5	89.1	151.5	0	0	109.4	P208 K250 F252	P208-E254 HydrophobicContact CB-CG 4.11Å; K250-E254 WeakPolarHBondContact CD-OE2 3.25Å; K250-E254 IonicContact NZ-OE1 2.93Å; K250-E254 PolarHBondContact NZ-OE1 3.37Å; K250-E254 IonicContact NZ-OE2 2.9Å; K250-E254 PolarHBondContact NZ-OE2 3.08Å; F252-E254 PolarHBondContact O-N 3.5Å
255	T	81.3	Confident	87.1	Confident	116 Å²	116	77.5 Å²	77.5	71%	0.712	40%	0.403	S	S	*	.	S	Bend	trans	-84.2	-17	-179.1	52.3	0	0	0	0	113.3	P253	P253-T255 PolarHBondContact O-N 3.06Å
256	T	81.8	Confident	87.7	Confident	55 Å²	55	74.1 Å²	74.1	34%	0.337	38%	0.379	S	S	.	.	S	Bend	trans	-126.2	-1.4	-170.9	56.9	0	0	0	0	114	E210 K261	E210-T256 HydrophobicContact CG-CG2 4.36Å; E210-T256 WeakPolarHBondContact OE2-CB 3.47Å; E210-T256 VanDerWaalsContact OE2-CG2 3.23Å; E210-T256 WeakPolarHBondContact OE2-CG2 3.16Å; E210-T256 PolarHBondContact OE2-OG1 3.48Å; T256-K261 WeakPolarHBondContact O-CD 3.48Å; T256-K261 PolarHBondContact O-NZ 2.88Å; T256-K261 VanDerWaalsContact O-NZ 3.14Å
257	G	85.3	Confident	88.6	Confident	38 Å²	38	77.4 Å²	77.4	39%	0.392	39%	0.394	S	S	.	.			trans	107.1	1.1	-173.6	0	0	0	0	0	115	K261	G257-K261 PolarHBondContact O-N 3.46Å
258	G	88.3	Confident	89.2	Confident	4 Å²	4	71.4 Å²	71.4	4%	0.041	37%	0.37	C	S	.	.	H	α-helix	trans	70.6	-160.5	170.6	0	0	0	0	0	114	E260 M262	G258-E260 VanDerWaalsContact C-N 3.28Å; G258-E260 PolarHBondContact O-N 3.17Å; G258-M262 PolarHBondContact O-N 3.11Å
259	A	93.1	Very high	89.8	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-32.6	177.4	0	0	0	0	0	112.7	T206 L213 E235 K261 M262 C263 L270	T206-A259 HydrophobicContact CG2-CB 4.11Å; L213-A259 HydrophobicContact CD2-CB 4.16Å; E235-A259 HydrophobicContact CB-CB 3.84Å; E235-A259 HydrophobicContact CG-CB 4.03Å; E235-A259 WeakPolarHBondContact OE2-CB 3.42Å; E235-A259 PolarHBondContact OE2-N 3.46Å; A259-K261 PolarHBondContact O-N 2.62Å; A259-M262 WeakPolarHBondContact O-CB 3.41Å; A259-M262 PolarHBondContact O-N 2.96Å; A259-C263 WeakPolarHBondContact O-CB 3.46Å; A259-C263 PolarHBondContact O-N 3.17Å; A259-C263 PolarHBondContact O-SG 3.05Å; A259-L270 HydrophobicContact CB-CD1 3.9Å
260	E	93.8	Very high	90.3	Very high	97 Å²	97	71.3 Å²	71.3	45%	0.453	37%	0.366	S	S	.	.	H	α-helix	trans	-54.5	-56.6	178.9	-75.6	171.8	-164.5	0	0	111.7	G258 M262 C263 E264 L270 K273	G258-E260 VanDerWaalsContact C-N 3.28Å; G258-E260 PolarHBondContact O-N 3.17Å; E260-M262 VanDerWaalsContact C-N 3.27Å; E260-M262 PolarHBondContact O-N 3.09Å; E260-C263 WeakPolarHBondContact O-CB 3.49Å; E260-C263 PolarHBondContact O-N 2.87Å; E260-C263 VanDerWaalsContact O-N 3.1Å; E260-E264 WeakPolarHBondContact O-CG 3.16Å; E260-E264 PolarHBondContact O-N 3.49Å; E260-L270 HydrophobicContact CB-CD2 4.41Å; E260-L270 HydrophobicContact CG-CD2 3.35Å; E260-K273 WeakPolarHBondContact OE1-CE 3.39Å; E260-K273 IonicContact OE1-NZ 3.66Å; E260-K273 PolarHBondContact OE1-NZ 2.83Å
261	K	93.6	Very high	90.9	Very high	123 Å²	123	66.4 Å²	66.4	54%	0.535	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-33.8	-180	-169	-173.7	-173.8	172.2	0	112.9	T256 G257 A259 K265	T256-K261 WeakPolarHBondContact O-CD 3.48Å; T256-K261 PolarHBondContact O-NZ 2.88Å; T256-K261 VanDerWaalsContact O-NZ 3.14Å; G257-K261 PolarHBondContact O-N 3.46Å; A259-K261 PolarHBondContact O-N 2.62Å; K261-K265 WeakPolarHBondContact O-CB 3.27Å; K261-K265 PolarHBondContact O-N 3.08Å; K261-K265 VanDerWaalsContact O-N 3.13Å
262	M	95	Very high	91.6	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.034	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-44.5	174.5	178.5	-169	71.1	0	0	110.9	L213 V216 R217 L220 V233 G258 A259 E260 K265 F266	L213-M262 HydrophobicContact CB-SD 4.38Å; L213-M262 HydrophobicContact CD2-CE 4.11Å; L213-M262 HydrophobicContact CD2-SD 3.98Å; V216-M262 HydrophobicContact CB-CE 4.39Å; V216-M262 HydrophobicContact CB-SD 4.14Å; V216-M262 HydrophobicContact CG1-CE 3.53Å; V216-M262 HydrophobicContact CG1-SD 3.75Å; R217-M262 HydrophobicContact CG-CG 3.82Å; R217-M262 HydrophobicContact CG-SD 3.79Å; L220-M262 HydrophobicContact CD1-CE 4.26Å; L220-M262 HydrophobicContact CD1-CG 4.47Å; L220-M262 HydrophobicContact CD1-SD 4.35Å; V233-M262 HydrophobicContact CG1-CE 4.06Å; V233-M262 HydrophobicContact CG2-CE 4.33Å; G258-M262 PolarHBondContact O-N 3.11Å; A259-M262 WeakPolarHBondContact O-CB 3.41Å; A259-M262 PolarHBondContact O-N 2.96Å; E260-M262 VanDerWaalsContact C-N 3.27Å; E260-M262 PolarHBondContact O-N 3.09Å; M262-K265 PolarHBondContact O-N 3.2Å; M262-F266 HydrophobicContact CG-CD2 4.2Å; M262-F266 WeakPolarHBondContact O-CD2 3.5Å; M262-F266 PolarHBondContact O-N 3.3Å
263	C	97.2	Very high	92.2	Very high	4 Å²	4	62 Å²	62	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-45.5	178.8	-70	0	0	0	0	111.2	A259 E260 K265 F266 E267 V268 L270	A259-C263 WeakPolarHBondContact O-CB 3.46Å; A259-C263 PolarHBondContact O-N 3.17Å; A259-C263 PolarHBondContact O-SG 3.05Å; E260-C263 WeakPolarHBondContact O-CB 3.49Å; E260-C263 PolarHBondContact O-N 2.87Å; E260-C263 VanDerWaalsContact O-N 3.1Å; C263-K265 PolarHBondContact O-N 3.16Å; C263-F266 CarbonylContact O-C 3.54Å; C263-F266 PolarHBondContact O-N 3.01Å; C263-E267 PolarHBondContact O-N 3.48Å; C263-V268 CarbonylContact C-O 3.58Å; C263-V268 HydrophobicContact CB-CG2 4.14Å; C263-V268 VanDerWaalsContact CB-O 3.29Å; C263-V268 WeakPolarHBondContact CB-O 3.13Å; C263-V268 PolarHBondContact O-N 3.37Å; C263-V268 VanDerWaalsContact O-N 3.09Å; C263-L270 HydrophobicContact CB-CB 4.31Å
264	E	96.7	Very high	92.9	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	30%	0.298	S	S	*	.	H	α-helix	trans	-55.5	-49	173.1	-71.1	173.2	-178.9	0	0	111.9	E260 F266 E267	E260-E264 WeakPolarHBondContact O-CG 3.16Å; E260-E264 PolarHBondContact O-N 3.49Å; E264-F266 VanDerWaalsContact C-N 3.27Å; E264-F266 PolarHBondContact O-N 3.29Å; E264-E267 PolarHBondContact O-N 3.07Å
265	K	95.7	Very high	93.4	Very high	161 Å²	161	56.8 Å²	56.8	70%	0.7	29%	0.294	S	S	*	.	H	α-helix	trans	-63.5	-33	179.7	178	176.3	176.8	177.7	0	113	K261 M262 C263	K261-K265 WeakPolarHBondContact O-CB 3.27Å; K261-K265 PolarHBondContact O-N 3.08Å; K261-K265 VanDerWaalsContact O-N 3.13Å; M262-K265 PolarHBondContact O-N 3.2Å; C263-K265 PolarHBondContact O-N 3.16Å
266	F	96.5	Very high	93.8	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-95.8	5	-179.6	-81.7	-102.9	0	0	0	112.7	R217 L220 R224 M262 C263 E264 V268	R217-F266 HydrophobicContact CB-CE2 4.09Å; R217-F266 HydrophobicContact CB-CZ 3.8Å; R217-F266 HydrophobicContact CG-CD2 4.46Å; R217-F266 HydrophobicContact CG-CE2 3.56Å; R217-F266 HydrophobicContact CG-CZ 3.83Å; L220-F266 HydrophobicContact CB-CD1 3.66Å; L220-F266 HydrophobicContact CB-CE1 3.86Å; L220-F266 HydrophobicContact CB-CG 4.44Å; L220-F266 HydrophobicContact CD1-CB 3.95Å; L220-F266 HydrophobicContact CD1-CD1 3.84Å; L220-F266 HydrophobicContact CD1-CD2 4.28Å; L220-F266 HydrophobicContact CD1-CE1 4.4Å; L220-F266 HydrophobicContact CD1-CG 3.76Å; L220-F266 HydrophobicContact CG-CD1 4.41Å; R224-F266 VanDerWaalsContact NH2-C 3.28Å; R224-F266 PolarHBondContact NH2-O 3.13Å; M262-F266 HydrophobicContact CG-CD2 4.2Å; M262-F266 WeakPolarHBondContact O-CD2 3.5Å; M262-F266 PolarHBondContact O-N 3.3Å; C263-F266 CarbonylContact O-C 3.54Å; C263-F266 PolarHBondContact O-N 3.01Å; E264-F266 VanDerWaalsContact C-N 3.27Å; E264-F266 PolarHBondContact O-N 3.29Å; F266-V268 HydrophobicContact CB-CG2 4.02Å; F266-V268 PolarHBondContact O-N 3.1Å
267	E	97.3	Very high	94.3	Very high	177 Å²	177	51.3 Å²	51.3	83%	0.827	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	43.7	179.8	-58.6	173.4	175.6	0	0	111.6	C263 E264	C263-E267 PolarHBondContact O-N 3.48Å; E264-E267 PolarHBondContact O-N 3.07Å
268	V	97.6	Very high	94.5	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.121	26%	0.263	C	S	.	.			trans	-122.8	153.1	175.8	-66.2	0	0	0	0	109.5	L220 I230 V233 C263 F266	L220-V268 HydrophobicContact CD1-CG2 4.34Å; L220-V268 HydrophobicContact CD2-CG2 4.48Å; I230-V268 HydrophobicContact CB-CG1 4.24Å; I230-V268 HydrophobicContact CD1-CG1 3.98Å; I230-V268 HydrophobicContact CG2-CB 4.37Å; I230-V268 HydrophobicContact CG2-CG1 3.99Å; V233-V268 HydrophobicContact CG2-CG2 4.05Å; C263-V268 CarbonylContact C-O 3.58Å; C263-V268 HydrophobicContact CB-CG2 4.14Å; C263-V268 VanDerWaalsContact CB-O 3.29Å; C263-V268 WeakPolarHBondContact CB-O 3.13Å; C263-V268 PolarHBondContact O-N 3.37Å; C263-V268 VanDerWaalsContact O-N 3.09Å; F266-V268 HydrophobicContact CB-CG2 4.02Å; F266-V268 PolarHBondContact O-N 3.1Å
269	D	97.8	Very high	94.7	Very high	113 Å²	113	56.9 Å²	56.9	60%	0.604	28%	0.277	S	S	*	.			trans	-78.1	136.1	-178.8	-72.9	-23.5	0	0	0	112	G232 V233 L271	G232-D269 CarbonylContact C-O 3.52Å; G232-D269 WeakPolarHBondContact CA-O 3.5Å; V233-D269 PolarHBondContact N-O 3.17Å; D269-L271 PolarHBondContact O-N 2.89Å
270	L	97.8	Very high	94.8	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.194	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	107.8	160.3	-176.5	69.3	0	0	0	108.5	V233 E235 A259 E260 C263 G272 K273 K309	V233-L270 HydrophobicContact CB-CD1 4.37Å; V233-L270 HydrophobicContact CG1-CD1 4.41Å; V233-L270 WeakPolarHBondContact O-CD1 3.47Å; E235-L270 HydrophobicContact CB-CD1 4.37Å; A259-L270 HydrophobicContact CB-CD1 3.9Å; E260-L270 HydrophobicContact CB-CD2 4.41Å; E260-L270 HydrophobicContact CG-CD2 3.35Å; C263-L270 HydrophobicContact CB-CB 4.31Å; L270-G272 VanDerWaalsContact C-N 3.32Å; L270-G272 PolarHBondContact O-N 3.5Å; L270-K273 HydrophobicContact CD2-CG 4.31Å; L270-K309 PolarHBondContact O-NZ 3.39Å
271	L	98	Very high	94.8	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-39.7	-179.9	-61.4	172.3	0	0	0	110.5	V203 I231 V233 V234 D269 I306 K309 I310	V203-L271 HydrophobicContact CG1-CD1 3.99Å; V203-L271 HydrophobicContact CG2-CD1 4.16Å; I231-L271 HydrophobicContact CG2-CD1 4.33Å; I231-L271 HydrophobicContact CG2-CD2 4.38Å; V233-L271 WeakPolarHBondContact O-CB 3.41Å; V233-L271 PolarHBondContact O-N 2.95Å; V234-L271 HydrophobicContact CG2-CB 4.16Å; V234-L271 HydrophobicContact CG2-CD1 4.05Å; D269-L271 PolarHBondContact O-N 2.89Å; L271-I306 HydrophobicContact CB-CG2 4.01Å; L271-K309 HydrophobicContact CD2-CB 3.81Å; L271-K309 HydrophobicContact CD2-CD 4.3Å; L271-K309 VanDerWaalsContact O-CD 3.26Å; L271-K309 WeakPolarHBondContact O-CD 3.17Å; L271-K309 WeakPolarHBondContact O-CE 3.46Å; L271-K309 PolarHBondContact O-NZ 3.37Å; L271-I310 HydrophobicContact CD1-CD1 4.13Å; L271-I310 HydrophobicContact CD1-CG1 3.82Å; L271-I310 HydrophobicContact CD2-CG1 4.49Å
272	G	96.1	Very high	94.9	Very high	13 Å²	13	54.8 Å²	54.8	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-170.5	172.9	0	0	0	0	0	112.3	E235 L270	E235-G272 PolarHBondContact N-O 3.06Å; L270-G272 VanDerWaalsContact C-N 3.32Å; L270-G272 PolarHBondContact O-N 3.5Å
273	K	94	Very high	95	Very high	38 Å²	38	54.5 Å²	54.5	17%	0.165	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.1	-174.4	-59.1	-173.3	171.9	-176.9	0	109.4	E235 W239 E260 L270	E235-K273 HydrophobicContact CB-CG 4.11Å; E235-K273 CarbonylContact O-C 3.53Å; E235-K273 VanDerWaalsContact O-CA 3.25Å; E235-K273 WeakPolarHBondContact O-CA 3.16Å; E235-K273 VanDerWaalsContact OE1-CD 3.27Å; E235-K273 WeakPolarHBondContact OE1-CD 3.34Å; E235-K273 WeakPolarHBondContact OE1-CE 3.21Å; E235-K273 IonicContact OE1-NZ 2.78Å; W239-K273 HydrophobicContact CE3-CB 4.39Å; W239-K273 HydrophobicContact CH2-CB 4.33Å; W239-K273 HydrophobicContact CH2-CD 3.21Å; W239-K273 HydrophobicContact CH2-CG 4.38Å; W239-K273 HydrophobicContact CZ2-CD 4.31Å; W239-K273 HydrophobicContact CZ3-CB 3.57Å; W239-K273 HydrophobicContact CZ3-CD 3.35Å; W239-K273 HydrophobicContact CZ3-CG 4.1Å; E260-K273 WeakPolarHBondContact OE1-CE 3.39Å; E260-K273 IonicContact OE1-NZ 3.66Å; E260-K273 PolarHBondContact OE1-NZ 2.83Å; L270-K273 HydrophobicContact CD2-CG 4.31Å
274	V	93.1	Very high	94.9	Very high	4 Å²	4	55 Å²	55	2%	0.024	28%	0.276	C	S	.	.			trans	-95.8	134.4	-178.6	-176.3	0	0	0	0	109.3	V234 E235 M237 S238 W303 I306	V234-V274 HydrophobicContact CG1-CG2 3.77Å; E235-V274 PolarHBondContact O-N 3.43Å; M237-V274 PolarHBondContact N-O 3.18Å; M237-V274 VanDerWaalsContact N-O 3.17Å; S238-V274 PolarHBondContact N-O 2.96Å; S238-V274 VanDerWaalsContact N-O 3.09Å; S238-V274 PolarHBondContact OG-O 3.43Å; V274-W303 HydrophobicContact CG2-CE3 3.81Å; V274-W303 HydrophobicContact CG2-CZ3 4.17Å; V274-I306 HydrophobicContact CG2-CD1 3.53Å
275	L	91.5	Very high	94.9	Very high	25 Å²	25	53.6 Å²	53.6	13%	0.131	27%	0.273	C	S	.	.			trans	-76	148.1	178.3	-60.7	176.7	0	0	0	110.9	W239 L248 D277 P298 A299	W239-L275 HydrophobicContact CB-CD2 3.62Å; W239-L275 HydrophobicContact CD2-CD2 4.48Å; W239-L275 HydrophobicContact CE3-CD2 3.95Å; W239-L275 HydrophobicContact CG-CD2 4.41Å; W239-L275 CarbonylContact O-C 3.59Å; W239-L275 WeakPolarHBondContact O-CA 3.31Å; L248-L275 HydrophobicContact CD2-CD2 4.42Å; L275-D277 PolarHBondContact O-N 3.35Å; L275-P298 HydrophobicContact CD1-CB 3.53Å; L275-A299 HydrophobicContact CB-CB 4.21Å
276	V	90.4	Very high	95	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.236	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-70.8	115.2	162.8	179.2	0	0	0	0	108.5	M237 W239 F240 L251	M237-V276 HydrophobicContact CB-CG2 3.52Å; M237-V276 HydrophobicContact CG-CG2 3.95Å; W239-V276 PolarHBondContact O-N 3.29Å; F240-V276 HydrophobicContact CD2-CB 4.42Å; F240-V276 HydrophobicContact CD2-CG1 4.24Å; L251-V276 HydrophobicContact CD1-CB 4.02Å; L251-V276 HydrophobicContact CD1-CG1 4.24Å; L251-V276 HydrophobicContact CD1-CG2 3.62Å
277	D	90.9	Very high	95	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.091	26%	0.264	C	S	.	.			trans	-120.1	114.2	170.5	-162.2	-36.8	0	0	0	109.5	L275 R279 L280 A281 F290 A299	L275-D277 PolarHBondContact O-N 3.35Å; D277-R279 PolarHBondContact O-N 3.49Å; D277-R279 VanDerWaalsContact O-N 3.11Å; D277-R279 WeakPolarHBondContact OD1-CB 3.42Å; D277-R279 WeakPolarHBondContact OD1-CG 3.45Å; D277-R279 IonicContact OD1-CZ 3.18Å; D277-R279 PolarHBondContact OD1-N 2.71Å; D277-R279 IonicContact OD1-NE 2.72Å; D277-R279 PolarHBondContact OD1-NE 3.05Å; D277-R279 IonicContact OD1-NH2 2.81Å; D277-R279 IonicContact OD2-CZ 2.6Å; D277-R279 IonicContact OD2-NE 3.72Å; D277-R279 PolarHBondContact OD2-NE 2.75Å; D277-R279 IonicContact OD2-NH2 2.64Å; D277-R279 PolarHBondContact OD2-NH2 2.99Å; D277-L280 HydrophobicContact CB-CB 4.13Å; D277-L280 WeakPolarHBondContact O-CB 3.49Å; D277-L280 PolarHBondContact O-N 3.48Å; D277-A281 PolarHBondContact O-N 2.88Å; D277-F290 HydrophobicContact CB-CE2 4.5Å; D277-F290 HydrophobicContact CB-CZ 4.38Å; D277-A299 HydrophobicContact CB-CB 3.93Å
278	P	90.8	Very high	95	Very high	71 Å²	71	45 Å²	45	46%	0.461	24%	0.24	S	C	.	.	H	α-helix	trans	-56.6	-26.4	176	-25.8	35	0	0	0	113.4	F240 A281 R282	F240-P278 HydrophobicContact CE2-CG 3.9Å; P278-A281 PolarHBondContact O-N 3.26Å; P278-R282 PolarHBondContact O-N 3.27Å
279	R	92.8	Very high	95	Very high	88 Å²	88	44.5 Å²	44.5	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-71.5	-33.6	177.6	-60.3	169.7	-69.8	-179.8	0	111.9	D277 R282 C283 F290 Y294	D277-R279 PolarHBondContact O-N 3.49Å; D277-R279 VanDerWaalsContact O-N 3.11Å; D277-R279 WeakPolarHBondContact OD1-CB 3.42Å; D277-R279 WeakPolarHBondContact OD1-CG 3.45Å; D277-R279 IonicContact OD1-CZ 3.18Å; D277-R279 PolarHBondContact OD1-N 2.71Å; D277-R279 IonicContact OD1-NE 2.72Å; D277-R279 PolarHBondContact OD1-NE 3.05Å; D277-R279 IonicContact OD1-NH2 2.81Å; D277-R279 IonicContact OD2-CZ 2.6Å; D277-R279 IonicContact OD2-NE 3.72Å; D277-R279 PolarHBondContact OD2-NE 2.75Å; D277-R279 IonicContact OD2-NH2 2.64Å; D277-R279 PolarHBondContact OD2-NH2 2.99Å; R279-R282 PolarHBondContact O-N 3.47Å; R279-C283 WeakPolarHBondContact O-CB 3.48Å; R279-C283 PolarHBondContact O-N 2.78Å; R279-C283 PolarHBondContact O-SG 3.37Å; R279-F290 HydrophobicContact CB-CE2 4.19Å; R279-Y294 HydrophobicContact CB-CD2 3.84Å; R279-Y294 HydrophobicContact CB-CE2 3.58Å; R279-Y294 HydrophobicContact CB-CG 4.42Å; R279-Y294 HydrophobicContact CG-CE1 4.39Å; R279-Y294 HydrophobicContact CG-CE2 4.18Å
280	L	94.1	Very high	94.9	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-46.5	172.9	173.2	59.5	0	0	0	110.6	T75 L79 D277 R282 C283 C284 F290	T75-L280 HydrophobicContact CG2-CD1 3.92Å; T75-L280 HydrophobicContact CG2-CD2 3.85Å; T75-L280 HydrophobicContact CG2-CG 3.97Å; L79-L280 HydrophobicContact CD1-CD1 4.15Å; L79-L280 HydrophobicContact CD1-CD2 4.05Å; L79-L280 HydrophobicContact CD2-CD1 4.04Å; L79-L280 HydrophobicContact CG-CD1 4.36Å; D277-L280 HydrophobicContact CB-CB 4.13Å; D277-L280 WeakPolarHBondContact O-CB 3.49Å; D277-L280 PolarHBondContact O-N 3.48Å; L280-R282 VanDerWaalsContact C-N 3.33Å; L280-R282 PolarHBondContact O-N 2.98Å; L280-C283 PolarHBondContact O-N 2.95Å; L280-C284 PolarHBondContact O-N 3.44Å; L280-C284 PolarHBondContact O-SG 2.94Å; L280-F290 VanDerWaalsContact CA-CD2 3.41Å; L280-F290 HydrophobicContact CB-CD1 4.42Å; L280-F290 HydrophobicContact CB-CD2 3.71Å; L280-F290 HydrophobicContact CB-CE1 4.45Å; L280-F290 HydrophobicContact CB-CE2 3.76Å; L280-F290 HydrophobicContact CB-CG 4.06Å; L280-F290 HydrophobicContact CB-CZ 4.13Å; L280-F290 HydrophobicContact CD1-CB 3.62Å; L280-F290 HydrophobicContact CD1-CD1 3.78Å; L280-F290 HydrophobicContact CD1-CD2 4.05Å; L280-F290 HydrophobicContact CD1-CE1 4.48Å; L280-F290 HydrophobicContact CD1-CG 3.52Å; L280-F290 HydrophobicContact CG-CD2 4.49Å; L280-F290 HydrophobicContact CG-CG 4.36Å
281	A	93.2	Very high	94.8	Very high	53 Å²	53	37.9 Å²	37.9	44%	0.438	20%	0.201	S	C	.	.	H	α-helix	trans	-58	-46.9	175.7	0	0	0	0	0	111.4	D277 P278 C283 C284 D285	D277-A281 PolarHBondContact O-N 2.88Å; P278-A281 PolarHBondContact O-N 3.26Å; A281-C283 PolarHBondContact O-N 3.22Å; A281-C284 WeakPolarHBondContact O-CB 3.17Å; A281-C284 PolarHBondContact O-N 2.89Å; A281-D285 PolarHBondContact O-N 3.41Å
282	R	95.7	Very high	94.7	Very high	109 Å²	109	43.7 Å²	43.7	41%	0.411	23%	0.228	S	C	.	.	H	α-helix	trans	-57.8	-46.8	174.9	-179.3	-176.4	173.5	-109.5	-9.9	112.5	P278 R279 L280 C284 D285 E286	P278-R282 PolarHBondContact O-N 3.27Å; R279-R282 PolarHBondContact O-N 3.47Å; L280-R282 VanDerWaalsContact C-N 3.33Å; L280-R282 PolarHBondContact O-N 2.98Å; R282-C284 VanDerWaalsContact C-N 3.29Å; R282-C284 PolarHBondContact O-N 3.11Å; R282-D285 PolarHBondContact O-N 3.27Å; R282-D285 VanDerWaalsContact O-N 3.17Å; R282-E286 HydrophobicContact CG-CG 4.26Å; R282-E286 WeakPolarHBondContact CG-OE1 3.29Å; R282-E286 IonicContact CZ-OE1 2.69Å; R282-E286 VanDerWaalsContact CZ-OE1 3.26Å; R282-E286 IonicContact CZ-OE2 3.96Å; R282-E286 IonicContact NE-OE1 3.74Å; R282-E286 PolarHBondContact NE-OE1 3.02Å; R282-E286 IonicContact NE-OE2 2.66Å; R282-E286 PolarHBondContact NE-OE2 3.02Å; R282-E286 IonicContact NH1-OE2 2.96Å; R282-E286 VanDerWaalsContact NH2-CD 3.3Å; R282-E286 IonicContact NH2-OE1 3.34Å; R282-E286 PolarHBondContact NH2-OE1 2.9Å; R282-E286 IonicContact NH2-OE2 2.68Å; R282-E286 PolarHBondContact NH2-OE2 3.01Å; R282-E286 WeakPolarHBondContact O-CB 3.33Å; R282-E286 WeakPolarHBondContact O-CG 3.39Å; R282-E286 PolarHBondContact O-N 3.01Å
283	C	97.5	Very high	94.7	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-41.3	177.1	-73	0	0	0	0	111.5	R279 L280 A281 E286 G287 L288 F290	R279-C283 WeakPolarHBondContact O-CB 3.48Å; R279-C283 PolarHBondContact O-N 2.78Å; R279-C283 PolarHBondContact O-SG 3.37Å; L280-C283 PolarHBondContact O-N 2.95Å; A281-C283 PolarHBondContact O-N 3.22Å; C283-E286 PolarHBondContact O-N 3.33Å; C283-G287 CarbonylContact O-C 3.5Å; C283-G287 WeakPolarHBondContact O-CA 3.33Å; C283-G287 PolarHBondContact O-N 3.11Å; C283-L288 HydrophobicContact CB-CB 4.15Å; C283-L288 PolarHBondContact O-N 2.92Å; C283-F290 HydrophobicContact CB-CB 3.93Å
284	C	96.3	Very high	94.6	Very high	15 Å²	15	48.9 Å²	48.9	10%	0.101	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-37.2	175	-63.9	0	0	0	0	113	M108 L280 A281 R282	M108-C284 WeakPolarHBondContact CA-O 3.25Å; M108-C284 HydrophobicContact CE-CB 4.02Å; M108-C284 HydrophobicContact CG-CB 4.15Å; L280-C284 PolarHBondContact O-N 3.44Å; L280-C284 PolarHBondContact O-SG 2.94Å; A281-C284 WeakPolarHBondContact O-CB 3.17Å; A281-C284 PolarHBondContact O-N 2.89Å; R282-C284 VanDerWaalsContact C-N 3.29Å; R282-C284 PolarHBondContact O-N 3.11Å
285	D	95.6	Very high	94.6	Very high	116 Å²	116	55 Å²	55	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-72.2	-36.6	178.5	-70.4	-24.5	0	0	0	112.2	A281 R282	A281-D285 PolarHBondContact O-N 3.41Å; R282-D285 PolarHBondContact O-N 3.27Å; R282-D285 VanDerWaalsContact O-N 3.17Å
286	E	97.2	Very high	94.6	Very high	99 Å²	99	60 Å²	60	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-91.4	-4.9	-178.5	-65.5	-179.3	-172.1	0	0	113.7	R282 C283 L288	R282-E286 HydrophobicContact CG-CG 4.26Å; R282-E286 WeakPolarHBondContact CG-OE1 3.29Å; R282-E286 IonicContact CZ-OE1 2.69Å; R282-E286 VanDerWaalsContact CZ-OE1 3.26Å; R282-E286 IonicContact CZ-OE2 3.96Å; R282-E286 IonicContact NE-OE1 3.74Å; R282-E286 PolarHBondContact NE-OE1 3.02Å; R282-E286 IonicContact NE-OE2 2.66Å; R282-E286 PolarHBondContact NE-OE2 3.02Å; R282-E286 IonicContact NH1-OE2 2.96Å; R282-E286 VanDerWaalsContact NH2-CD 3.3Å; R282-E286 IonicContact NH2-OE1 3.34Å; R282-E286 PolarHBondContact NH2-OE1 2.9Å; R282-E286 IonicContact NH2-OE2 2.68Å; R282-E286 PolarHBondContact NH2-OE2 3.01Å; R282-E286 WeakPolarHBondContact O-CB 3.33Å; R282-E286 WeakPolarHBondContact O-CG 3.39Å; R282-E286 PolarHBondContact O-N 3.01Å; C283-E286 PolarHBondContact O-N 3.33Å; E286-L288 HydrophobicContact CB-CD1 4.1Å; E286-L288 HydrophobicContact CB-CG 4.02Å; E286-L288 WeakPolarHBondContact OE2-CD1 3.12Å
287	G	97	Very high	94.6	Very high	10 Å²	10	58.3 Å²	58.3	10%	0.103	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	26.8	-179.6	0	0	0	0	0	115.1	R107 G110 C283	R107-G287 WeakPolarHBondContact O-CA 3.48Å; G110-G287 WeakPolarHBondContact CA-O 3.26Å; C283-G287 CarbonylContact O-C 3.5Å; C283-G287 WeakPolarHBondContact O-CA 3.33Å; C283-G287 PolarHBondContact O-N 3.11Å
288	L	97.6	Very high	94.5	Very high	62 Å²	62	59.9 Å²	59.9	33%	0.325	30%	0.304	S	S	.	.			trans	-95.6	153.5	-177.8	-58.1	175.9	0	0	0	112.2	C283 E286 F290	C283-L288 HydrophobicContact CB-CB 4.15Å; C283-L288 PolarHBondContact O-N 2.92Å; E286-L288 HydrophobicContact CB-CD1 4.1Å; E286-L288 HydrophobicContact CB-CG 4.02Å; E286-L288 WeakPolarHBondContact OE2-CD1 3.12Å; L288-F290 PolarHBondContact O-N 2.82Å
289	D	97.3	Very high	94.5	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.048	28%	0.284	C	S	.	.			trans	-77.4	102.3	171.7	-172.9	-1.6	0	0	0	111.3	R82 R86 L291 Q292 E293	R82-D289 VanDerWaalsContact CD-OD1 3.3Å; R82-D289 WeakPolarHBondContact CD-OD1 3.42Å; R86-D289 WeakPolarHBondContact CD-OD2 3.29Å; R86-D289 IonicContact CZ-OD2 2.68Å; R86-D289 IonicContact NE-OD2 3.26Å; R86-D289 IonicContact NH1-OD2 3.71Å; R86-D289 PolarHBondContact NH1-OD2 3.07Å; D289-L291 PolarHBondContact O-N 2.96Å; D289-L291 WeakPolarHBondContact OD1-CB 3.48Å; D289-L291 PolarHBondContact OD1-N 3.19Å; D289-Q292 HydrophobicContact CB-CB 3.76Å; D289-Q292 WeakPolarHBondContact O-CB 3.44Å; D289-Q292 PolarHBondContact O-N 3.12Å; D289-Q292 VanDerWaalsContact O-N 3.11Å; D289-Q292 PolarHBondContact OD1-N 2.78Å; D289-E293 WeakPolarHBondContact O-CG 3.43Å; D289-E293 PolarHBondContact O-N 3.27Å
290	F	96.6	Very high	94.5	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-36.3	175.4	175.3	-102.8	0	0	0	113.4	L79 D277 R279 L280 C283 L288 Q292 Y294 S297 A299 A300	L79-F290 HydrophobicContact CD2-CB 4.42Å; L79-F290 HydrophobicContact CD2-CD1 4.12Å; D277-F290 HydrophobicContact CB-CE2 4.5Å; D277-F290 HydrophobicContact CB-CZ 4.38Å; R279-F290 HydrophobicContact CB-CE2 4.19Å; L280-F290 VanDerWaalsContact CA-CD2 3.41Å; L280-F290 HydrophobicContact CB-CD1 4.42Å; L280-F290 HydrophobicContact CB-CD2 3.71Å; L280-F290 HydrophobicContact CB-CE1 4.45Å; L280-F290 HydrophobicContact CB-CE2 3.76Å; L280-F290 HydrophobicContact CB-CG 4.06Å; L280-F290 HydrophobicContact CB-CZ 4.13Å; L280-F290 HydrophobicContact CD1-CB 3.62Å; L280-F290 HydrophobicContact CD1-CD1 3.78Å; L280-F290 HydrophobicContact CD1-CD2 4.05Å; L280-F290 HydrophobicContact CD1-CE1 4.48Å; L280-F290 HydrophobicContact CD1-CG 3.52Å; L280-F290 HydrophobicContact CG-CD2 4.49Å; L280-F290 HydrophobicContact CG-CG 4.36Å; C283-F290 HydrophobicContact CB-CB 3.93Å; L288-F290 PolarHBondContact O-N 2.82Å; F290-Q292 VanDerWaalsContact C-N 3.26Å; F290-Q292 PolarHBondContact O-N 3.29Å; F290-Y294 AromaticContact CD2-CD2 3.66Å; F290-Y294 HydrophobicContact CD2-CD2 3.66Å; F290-Y294 HydrophobicContact CD2-CG 4.39Å; F290-Y294 AromaticContact CE2-CD2 3.78Å; F290-Y294 HydrophobicContact CE2-CD2 3.78Å; F290-Y294 HydrophobicContact CE2-CG 4.14Å; F290-Y294 PolarHBondContact O-N 3.09Å; F290-S297 VanDerWaalsContact CZ-OG 3.29Å; F290-S297 WeakPolarHBondContact CZ-OG 3.33Å; F290-A299 HydrophobicContact CE1-CB 4.21Å; F290-A299 HydrophobicContact CZ-CB 3.98Å; F290-A300 HydrophobicContact CE1-CB 4.03Å
291	L	96	Very high	94.4	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-73.2	-23.1	-178.5	-59.7	173.9	0	0	0	111.6	L79 R82 S83 R86 D289 E295 A300	L79-L291 HydrophobicContact CD2-CD1 4.26Å; L79-L291 HydrophobicContact CD2-CD2 4.06Å; L79-L291 HydrophobicContact CD2-CG 3.93Å; R82-L291 HydrophobicContact CB-CD1 4.17Å; S83-L291 WeakPolarHBondContact OG-CD1 3.48Å; R86-L291 PolarHBondContact NH2-O 3.11Å; D289-L291 PolarHBondContact O-N 2.96Å; D289-L291 WeakPolarHBondContact OD1-CB 3.48Å; D289-L291 PolarHBondContact OD1-N 3.19Å; L291-E295 WeakPolarHBondContact O-CA 3.31Å; L291-E295 WeakPolarHBondContact O-CB 3.47Å; L291-A300 HydrophobicContact CD2-CB 4.18Å
292	Q	95.2	Very high	94.3	Very high	125 Å²	125	56.2 Å²	56.2	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-80	-49.9	171.2	-162.2	169.8	-13.2	0	0	112	R86 D289 F290 Y294	R86-Q292 VanDerWaalsContact NH1-CA 3.3Å; D289-Q292 HydrophobicContact CB-CB 3.76Å; D289-Q292 WeakPolarHBondContact O-CB 3.44Å; D289-Q292 PolarHBondContact O-N 3.12Å; D289-Q292 VanDerWaalsContact O-N 3.11Å; D289-Q292 PolarHBondContact OD1-N 2.78Å; F290-Q292 VanDerWaalsContact C-N 3.26Å; F290-Q292 PolarHBondContact O-N 3.29Å; Q292-Y294 VanDerWaalsContact C-N 3.34Å; Q292-Y294 PolarHBondContact O-N 3.04Å
293	E	95.2	Very high	94.3	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	26%	0.262	S	S	.	.	H	α-helix	trans	-71.1	-32.1	-172.3	-67.6	-65.4	146.5	0	0	112.2	D289	D289-E293 WeakPolarHBondContact O-CG 3.43Å; D289-E293 PolarHBondContact O-N 3.27Å
294	Y	93.6	Very high	94.2	Very high	58 Å²	58	54.4 Å²	54.4	23%	0.227	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	42	-171.5	-55.6	-67.5	0	0	0	112.9	R279 F290 Q292 D296 S297 A300	R279-Y294 HydrophobicContact CB-CD2 3.84Å; R279-Y294 HydrophobicContact CB-CE2 3.58Å; R279-Y294 HydrophobicContact CB-CG 4.42Å; R279-Y294 HydrophobicContact CG-CE1 4.39Å; R279-Y294 HydrophobicContact CG-CE2 4.18Å; F290-Y294 AromaticContact CD2-CD2 3.66Å; F290-Y294 HydrophobicContact CD2-CD2 3.66Å; F290-Y294 HydrophobicContact CD2-CG 4.39Å; F290-Y294 AromaticContact CE2-CD2 3.78Å; F290-Y294 HydrophobicContact CE2-CD2 3.78Å; F290-Y294 HydrophobicContact CE2-CG 4.14Å; F290-Y294 PolarHBondContact O-N 3.09Å; Q292-Y294 VanDerWaalsContact C-N 3.34Å; Q292-Y294 PolarHBondContact O-N 3.04Å; Y294-D296 PolarHBondContact O-N 3.17Å; Y294-D296 VanDerWaalsContact O-N 3.13Å; Y294-S297 WeakPolarHBondContact O-CB 3.41Å; Y294-S297 PolarHBondContact O-N 2.92Å; Y294-S297 PolarHBondContact O-OG 2.83Å; Y294-A300 WeakPolarHBondContact O-CB 3.15Å
295	E	93.2	Very high	94.1	Very high	133 Å²	133	56.4 Å²	56.4	62%	0.621	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-40.2	178.1	-171.1	175.4	177.9	0	0	112.9	L291 S297 A300	L291-E295 WeakPolarHBondContact O-CA 3.31Å; L291-E295 WeakPolarHBondContact O-CB 3.47Å; E295-S297 VanDerWaalsContact C-N 3.27Å; E295-S297 PolarHBondContact O-N 3.06Å; E295-A300 WeakPolarHBondContact O-CB 3.49Å
296	D	90.8	Very high	94.2	Very high	128 Å²	128	50.9 Å²	50.9	68%	0.684	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.9	-178.5	-93.8	-46.6	0	0	0	115.4	Y294 K301	Y294-D296 PolarHBondContact O-N 3.17Å; Y294-D296 VanDerWaalsContact O-N 3.13Å; D296-K301 WeakPolarHBondContact O-CE 3.06Å; D296-K301 PolarHBondContact O-NZ 3.25Å; D296-K301 IonicContact OD1-NZ 2.81Å; D296-K301 PolarHBondContact OD1-NZ 2.87Å
297	S	90.2	Very high	94.1	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.035	24%	0.24	C	C	.	.	S	Bend	trans	-65.7	149.7	-175.1	68.8	0	0	0	0	112.4	F290 Y294 E295 A299 A300 K301	F290-S297 VanDerWaalsContact CZ-OG 3.29Å; F290-S297 WeakPolarHBondContact CZ-OG 3.33Å; Y294-S297 WeakPolarHBondContact O-CB 3.41Å; Y294-S297 PolarHBondContact O-N 2.92Å; Y294-S297 PolarHBondContact O-OG 2.83Å; E295-S297 VanDerWaalsContact C-N 3.27Å; E295-S297 PolarHBondContact O-N 3.06Å; S297-A299 PolarHBondContact O-N 3.3Å; S297-A300 PolarHBondContact O-N 2.68Å; S297-A300 VanDerWaalsContact OG-CB 3.27Å; S297-A300 WeakPolarHBondContact OG-CB 3.26Å; S297-A300 PolarHBondContact OG-N 2.81Å; S297-A300 VanDerWaalsContact OG-N 3.1Å; S297-K301 PolarHBondContact O-N 3.24Å
298	P	89.3	Confident	94.1	Very high	50 Å²	50	48.8 Å²	48.8	33%	0.325	25%	0.252	S	S	.	.	H	α-helix	trans	-56.4	-32.2	173.1	-28.4	36.9	0	0	0	113.7	L275 G302	L275-P298 HydrophobicContact CD1-CB 3.53Å; P298-G302 PolarHBondContact O-N 2.79Å
299	A	90.9	Very high	94.1	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-45	177.8	0	0	0	0	0	111.9	L275 D277 F290 S297 G302 W303	L275-A299 HydrophobicContact CB-CB 4.21Å; D277-A299 HydrophobicContact CB-CB 3.93Å; F290-A299 HydrophobicContact CE1-CB 4.21Å; F290-A299 HydrophobicContact CZ-CB 3.98Å; S297-A299 PolarHBondContact O-N 3.3Å; A299-G302 PolarHBondContact O-N 2.75Å; A299-W303 WeakPolarHBondContact O-CB 3.47Å; A299-W303 PolarHBondContact O-N 2.69Å
300	A	93.1	Very high	94.2	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-47.2	174.4	0	0	0	0	0	111.4	F290 L291 Y294 E295 S297 G302 W303 E304	F290-A300 HydrophobicContact CE1-CB 4.03Å; L291-A300 HydrophobicContact CD2-CB 4.18Å; Y294-A300 WeakPolarHBondContact O-CB 3.15Å; E295-A300 WeakPolarHBondContact O-CB 3.49Å; S297-A300 PolarHBondContact O-N 2.68Å; S297-A300 VanDerWaalsContact OG-CB 3.27Å; S297-A300 WeakPolarHBondContact OG-CB 3.26Å; S297-A300 PolarHBondContact OG-N 2.81Å; S297-A300 VanDerWaalsContact OG-N 3.1Å; A300-G302 PolarHBondContact O-N 2.66Å; A300-W303 WeakPolarHBondContact O-CA 3.36Å; A300-W303 VanDerWaalsContact O-CB 3.29Å; A300-W303 WeakPolarHBondContact O-CB 3.44Å; A300-W303 PolarHBondContact O-N 3.48Å; A300-W303 VanDerWaalsContact O-N 3.07Å; A300-E304 PolarHBondContact O-N 3.48Å
301	K	91.7	Very high	94.3	Very high	115 Å²	115	49.9 Å²	49.9	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-40.6	176.9	-72.6	174.1	174.2	151.5	0	113.2	D296 S297 W303 E304	D296-K301 WeakPolarHBondContact O-CE 3.06Å; D296-K301 PolarHBondContact O-NZ 3.25Å; D296-K301 IonicContact OD1-NZ 2.81Å; D296-K301 PolarHBondContact OD1-NZ 2.87Å; S297-K301 PolarHBondContact O-N 3.24Å; K301-W303 VanDerWaalsContact C-N 3.3Å; K301-E304 PolarHBondContact O-N 2.96Å
302	G	90.7	Very high	94.3	Very high	26 Å²	26	57.6 Å²	57.6	27%	0.268	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-36.3	174.6	0	0	0	0	0	112.4	P298 A299 A300 S305	P298-G302 PolarHBondContact O-N 2.79Å; A299-G302 PolarHBondContact O-N 2.75Å; A300-G302 PolarHBondContact O-N 2.66Å; G302-S305 PolarHBondContact O-OG 2.96Å
303	W	95.6	Very high	94.4	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.011	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-40.1	177.1	-179.8	-108.4	0	0	0	113	V76 L79 L80 S83 V274 A299 A300 K301 S305 I306 I307	V76-W303 HydrophobicContact CB-CH2 4.47Å; V76-W303 HydrophobicContact CG1-CH2 3.75Å; V76-W303 HydrophobicContact CG1-CZ3 4.14Å; V76-W303 HydrophobicContact CG2-CZ3 4.49Å; L79-W303 HydrophobicContact CB-CD2 4.28Å; L79-W303 HydrophobicContact CB-CH2 4.34Å; L79-W303 HydrophobicContact CB-CZ2 3.63Å; L79-W303 HydrophobicContact CD1-CD2 4.39Å; L79-W303 PolarHBondContact O-NE1 3.23Å; L80-W303 HydrophobicContact CB-CH2 4.41Å; L80-W303 HydrophobicContact CB-CZ2 3.94Å; S83-W303 VanDerWaalsContact OG-CD1 3.27Å; S83-W303 PolarHBondContact OG-NE1 2.92Å; V274-W303 HydrophobicContact CG2-CE3 3.81Å; V274-W303 HydrophobicContact CG2-CZ3 4.17Å; A299-W303 WeakPolarHBondContact O-CB 3.47Å; A299-W303 PolarHBondContact O-N 2.69Å; A300-W303 WeakPolarHBondContact O-CA 3.36Å; A300-W303 VanDerWaalsContact O-CB 3.29Å; A300-W303 WeakPolarHBondContact O-CB 3.44Å; A300-W303 PolarHBondContact O-N 3.48Å; A300-W303 VanDerWaalsContact O-N 3.07Å; K301-W303 VanDerWaalsContact C-N 3.3Å; W303-S305 PolarHBondContact O-N 2.97Å; W303-I306 HydrophobicContact CE3-CB 4.26Å; W303-I306 HydrophobicContact CE3-CD1 3.93Å; W303-I306 HydrophobicContact CE3-CG2 4.25Å; W303-I306 HydrophobicContact CH2-CG2 4.29Å; W303-I306 HydrophobicContact CZ3-CB 4.39Å; W303-I306 HydrophobicContact CZ3-CD1 4.21Å; W303-I306 HydrophobicContact CZ3-CG2 3.87Å; W303-I306 WeakPolarHBondContact O-CA 3.21Å; W303-I306 VanDerWaalsContact O-CB 3.31Å; W303-I306 WeakPolarHBondContact O-CB 3.4Å; W303-I306 PolarHBondContact O-N 3.46Å; W303-I307 HydrophobicContact CD2-CD1 4.28Å; W303-I307 HydrophobicContact CD2-CG1 4.4Å; W303-I307 HydrophobicContact CG-CG1 4.44Å; W303-I307 HydrophobicContact CH2-CD1 4.13Å; W303-I307 HydrophobicContact CZ2-CD1 3.26Å; W303-I307 HydrophobicContact CZ2-CG1 4.2Å; W303-I307 PolarHBondContact O-N 2.92Å; W303-I307 VanDerWaalsContact O-N 3.11Å
304	E	94.6	Very high	94.5	Very high	68 Å²	68	52.1 Å²	52.1	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-54.1	-40.4	178.6	-66.1	-57.6	116.4	0	0	112.7	R87 A300 K301 I306 I307 D308	R87-E304 IonicContact CZ-OE2 3.15Å; R87-E304 IonicContact NE-OE2 3.72Å; R87-E304 PolarHBondContact NE-OE2 3.29Å; R87-E304 PolarHBondContact NH2-O 3.31Å; R87-E304 VanDerWaalsContact NH2-O 3.09Å; R87-E304 IonicContact NH2-OE2 2.63Å; R87-E304 PolarHBondContact NH2-OE2 2.9Å; A300-E304 PolarHBondContact O-N 3.48Å; K301-E304 PolarHBondContact O-N 2.96Å; E304-I306 VanDerWaalsContact C-N 3.26Å; E304-I306 PolarHBondContact O-N 2.68Å; E304-I307 PolarHBondContact O-N 3.13Å; E304-D308 VanDerWaalsContact O-CG 3.31Å; E304-D308 PolarHBondContact O-N 3.26Å
305	S	94.3	Very high	94.6	Very high	57 Å²	57	52.4 Å²	52.4	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-26.1	178	73.7	0	0	0	0	114.3	G302 W303	G302-S305 PolarHBondContact O-OG 2.96Å; W303-S305 PolarHBondContact O-N 2.97Å
306	I	97.3	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-75.5	-43.3	175.8	-66.4	171.2	0	0	0	108.9	V234 L271 V274 W303 E304 D308 K309 I310	V234-I306 HydrophobicContact CG1-CD1 4.2Å; V234-I306 HydrophobicContact CG2-CG2 3.84Å; L271-I306 HydrophobicContact CB-CG2 4.01Å; V274-I306 HydrophobicContact CG2-CD1 3.53Å; W303-I306 HydrophobicContact CE3-CB 4.26Å; W303-I306 HydrophobicContact CE3-CD1 3.93Å; W303-I306 HydrophobicContact CE3-CG2 4.25Å; W303-I306 HydrophobicContact CH2-CG2 4.29Å; W303-I306 HydrophobicContact CZ3-CB 4.39Å; W303-I306 HydrophobicContact CZ3-CD1 4.21Å; W303-I306 HydrophobicContact CZ3-CG2 3.87Å; W303-I306 WeakPolarHBondContact O-CA 3.21Å; W303-I306 VanDerWaalsContact O-CB 3.31Å; W303-I306 WeakPolarHBondContact O-CB 3.4Å; W303-I306 PolarHBondContact O-N 3.46Å; E304-I306 VanDerWaalsContact C-N 3.26Å; E304-I306 PolarHBondContact O-N 2.68Å; I306-D308 PolarHBondContact O-N 2.76Å; I306-K309 PolarHBondContact O-N 3.1Å; I306-I310 HydrophobicContact CG2-CD1 3.93Å; I306-I310 WeakPolarHBondContact O-CG1 3.43Å; I306-I310 PolarHBondContact O-N 3.42Å; I306-I310 VanDerWaalsContact O-N 3.16Å
307	I	97.1	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-44.9	177.6	-59.3	-55.1	0	0	0	111.1	L80 R87 W303 E304 K309 I310 L311	L80-I307 HydrophobicContact CD1-CD1 3.4Å; L80-I307 VanDerWaalsContact CD1-CD1 3.4Å; R87-I307 VanDerWaalsContact CZ-CG2 3.49Å; R87-I307 VanDerWaalsContact NH1-CG2 3.28Å; W303-I307 HydrophobicContact CD2-CD1 4.28Å; W303-I307 HydrophobicContact CD2-CG1 4.4Å; W303-I307 HydrophobicContact CG-CG1 4.44Å; W303-I307 HydrophobicContact CH2-CD1 4.13Å; W303-I307 HydrophobicContact CZ2-CD1 3.26Å; W303-I307 HydrophobicContact CZ2-CG1 4.2Å; W303-I307 PolarHBondContact O-N 2.92Å; W303-I307 VanDerWaalsContact O-N 3.11Å; E304-I307 PolarHBondContact O-N 3.13Å; I307-K309 PolarHBondContact O-N 2.93Å; I307-I310 PolarHBondContact O-N 3.05Å; I307-L311 HydrophobicContact CG2-CD1 3.69Å; I307-L311 HydrophobicContact CG2-CG 4.01Å; I307-L311 WeakPolarHBondContact O-CG 3.4Å; I307-L311 PolarHBondContact O-N 3.2Å
308	D	96.7	Very high	92.4	Very high	66 Å²	66	51.1 Å²	51.1	35%	0.353	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-40.6	179.8	-64.6	-13.5	0	0	0	112	R87 E304 I306 K312	R87-D308 IonicContact CZ-OD1 3.21Å; R87-D308 IonicContact NH1-OD1 3.16Å; R87-D308 PolarHBondContact NH1-OD1 3.49Å; R87-D308 IonicContact NH2-OD1 2.85Å; R87-D308 PolarHBondContact NH2-OD1 2.96Å; E304-D308 VanDerWaalsContact O-CG 3.31Å; E304-D308 PolarHBondContact O-N 3.26Å; I306-D308 PolarHBondContact O-N 2.76Å; D308-K312 WeakPolarHBondContact O-CB 3.46Å; D308-K312 PolarHBondContact O-N 2.98Å
309	K	97.7	Very high	92.6	Very high	99 Å²	99	51.2 Å²	51.2	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-68.3	-39.9	177.5	-68.5	176	-177.7	177.6	0	112.1	L270 L271 I306 I307 F313	L270-K309 PolarHBondContact O-NZ 3.39Å; L271-K309 HydrophobicContact CD2-CB 3.81Å; L271-K309 HydrophobicContact CD2-CD 4.3Å; L271-K309 VanDerWaalsContact O-CD 3.26Å; L271-K309 WeakPolarHBondContact O-CD 3.17Å; L271-K309 WeakPolarHBondContact O-CE 3.46Å; L271-K309 PolarHBondContact O-NZ 3.37Å; I306-K309 PolarHBondContact O-N 3.1Å; I307-K309 PolarHBondContact O-N 2.93Å; K309-F313 WeakPolarHBondContact O-CB 3.27Å; K309-F313 PolarHBondContact O-N 3.22Å
310	I	98.2	Very high	92.7	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-48.3	177.8	-66.3	167.9	0	0	0	110.4	I62 L80 V203 I231 L271 I306 I307 K312 F313 C314	I62-I310 HydrophobicContact CD1-CG2 3.72Å; L80-I310 HydrophobicContact CD1-CD1 4Å; L80-I310 HydrophobicContact CD1-CG2 4.23Å; L80-I310 HydrophobicContact CD2-CD1 4.41Å; V203-I310 HydrophobicContact CG2-CD1 4.01Å; V203-I310 HydrophobicContact CG2-CG1 4.25Å; I231-I310 HydrophobicContact CG2-CB 4.49Å; I231-I310 HydrophobicContact CG2-CG1 4.12Å; L271-I310 HydrophobicContact CD1-CD1 4.13Å; L271-I310 HydrophobicContact CD1-CG1 3.82Å; L271-I310 HydrophobicContact CD2-CG1 4.49Å; I306-I310 HydrophobicContact CG2-CD1 3.93Å; I306-I310 WeakPolarHBondContact O-CG1 3.43Å; I306-I310 PolarHBondContact O-N 3.42Å; I306-I310 VanDerWaalsContact O-N 3.16Å; I307-I310 PolarHBondContact O-N 3.05Å; I310-K312 PolarHBondContact O-N 3.49Å; I310-F313 WeakPolarHBondContact O-CB 3.41Å; I310-F313 PolarHBondContact O-N 3.06Å; I310-C314 PolarHBondContact O-N 2.63Å; I310-C314 VanDerWaalsContact O-N 3.08Å; I310-C314 PolarHBondContact O-SG 3.33Å
311	L	97.9	Very high	92.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-44.7	178.2	-71.5	175.5	0	0	0	111.5	I84 F88 F173 I307 F313 C314 G315 E316	I84-L311 HydrophobicContact CG1-CD2 4.25Å; F88-L311 HydrophobicContact CE2-CD1 3.69Å; F88-L311 HydrophobicContact CE2-CD2 4.12Å; F88-L311 HydrophobicContact CZ-CD1 4.05Å; F173-L311 HydrophobicContact CE1-CD2 4.37Å; F173-L311 HydrophobicContact CE2-CD2 4.26Å; F173-L311 HydrophobicContact CZ-CD2 3.77Å; I307-L311 HydrophobicContact CG2-CD1 3.69Å; I307-L311 HydrophobicContact CG2-CG 4.01Å; I307-L311 WeakPolarHBondContact O-CG 3.4Å; I307-L311 PolarHBondContact O-N 3.2Å; L311-F313 VanDerWaalsContact C-N 3.3Å; L311-F313 PolarHBondContact O-N 2.85Å; L311-C314 CarbonylContact O-C 3.57Å; L311-C314 WeakPolarHBondContact O-CA 3.47Å; L311-C314 PolarHBondContact O-N 2.87Å; L311-G315 PolarHBondContact O-N 2.96Å; L311-G315 VanDerWaalsContact O-N 3.1Å; L311-E316 HydrophobicContact CB-CB 4.26Å; L311-E316 HydrophobicContact CD2-CB 4.26Å; L311-E316 HydrophobicContact CD2-CG 4.44Å; L311-E316 PolarHBondContact O-N 3.15Å
312	K	97.2	Very high	92.7	Very high	167 Å²	167	53.1 Å²	53.1	73%	0.726	31%	0.312	S	S	*	.	H	α-helix	trans	-59.2	-40.3	175.2	-178.3	-179	178.7	-176.7	0	112.2	D308 I310 C314 G315	D308-K312 WeakPolarHBondContact O-CB 3.46Å; D308-K312 PolarHBondContact O-N 2.98Å; I310-K312 PolarHBondContact O-N 3.49Å; K312-C314 VanDerWaalsContact C-N 3.29Å; K312-C314 PolarHBondContact O-N 3.22Å; K312-G315 PolarHBondContact O-N 2.77Å; K312-G315 VanDerWaalsContact O-N 3.13Å
313	F	97.6	Very high	92.8	Very high	97 Å²	97	54.8 Å²	54.8	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-40.2	175.3	-175.9	-79.1	0	0	0	111.4	D200 I231 K309 I310 L311 G315	D200-F313 WeakPolarHBondContact O-CE1 3.45Å; I231-F313 HydrophobicContact CB-CD1 4.35Å; I231-F313 HydrophobicContact CB-CG 4.38Å; I231-F313 HydrophobicContact CD1-CD1 4.21Å; I231-F313 HydrophobicContact CD1-CE1 4.49Å; I231-F313 HydrophobicContact CG1-CD1 3.74Å; I231-F313 HydrophobicContact CG1-CE1 3.75Å; I231-F313 HydrophobicContact CG1-CG 4.27Å; I231-F313 HydrophobicContact CG1-CZ 4.24Å; I231-F313 HydrophobicContact CG2-CB 3.96Å; I231-F313 HydrophobicContact CG2-CD1 4.17Å; I231-F313 HydrophobicContact CG2-CD2 4.25Å; I231-F313 HydrophobicContact CG2-CG 3.87Å; K309-F313 WeakPolarHBondContact O-CB 3.27Å; K309-F313 PolarHBondContact O-N 3.22Å; I310-F313 WeakPolarHBondContact O-CB 3.41Å; I310-F313 PolarHBondContact O-N 3.06Å; L311-F313 VanDerWaalsContact C-N 3.3Å; L311-F313 PolarHBondContact O-N 2.85Å; F313-G315 PolarHBondContact O-N 3.45Å
314	C	96.7	Very high	92.7	Very high	14 Å²	14	58.2 Å²	58.2	10%	0.095	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.6	177	-57.6	0	0	0	0	113.2	H60 F173 I310 L311 K312	H60-C314 PolarHBondContact CE1-O 3.38Å; F173-C314 HydrophobicContact CE1-CB 4.26Å; F173-C314 HydrophobicContact CZ-CB 4.26Å; I310-C314 PolarHBondContact O-N 2.63Å; I310-C314 VanDerWaalsContact O-N 3.08Å; I310-C314 PolarHBondContact O-SG 3.33Å; L311-C314 CarbonylContact O-C 3.57Å; L311-C314 WeakPolarHBondContact O-CA 3.47Å; L311-C314 PolarHBondContact O-N 2.87Å; K312-C314 VanDerWaalsContact C-N 3.29Å; K312-C314 PolarHBondContact O-N 3.22Å
315	G	95.6	Very high	92.5	Very high	64 Å²	64	57.5 Å²	57.5	66%	0.66	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	14.9	-178.4	0	0	0	0	0	114.4	L311 K312 F313	L311-G315 PolarHBondContact O-N 2.96Å; L311-G315 VanDerWaalsContact O-N 3.1Å; K312-G315 PolarHBondContact O-N 2.77Å; K312-G315 VanDerWaalsContact O-N 3.13Å; F313-G315 PolarHBondContact O-N 3.45Å
316	E	92.1	Very high	92.4	Very high	19 Å²	19	57.5 Å²	57.5	9%	0.089	33%	0.331	C	S	.	.			trans	-86.2	136.4	172.8	-59.5	-66.3	-167	0	0	110.6	K59 H60 Y91 F173 L311	K59-E316 WeakPolarHBondContact CE-OE1 3.19Å; K59-E316 IonicContact NZ-OE1 3.73Å; K59-E316 PolarHBondContact NZ-OE1 3.33Å; K59-E316 IonicContact NZ-OE2 3.05Å; K59-E316 PolarHBondContact NZ-OE2 2.81Å; K59-E316 VanDerWaalsContact NZ-OE2 3.17Å; H60-E316 IonicContact CD2-OE1 2.85Å; H60-E316 PolarHBondContact CD2-OE1 3.29Å; H60-E316 IonicContact NE2-OE1 2.75Å; H60-E316 PolarHBondContact NE2-OE1 2.98Å; H60-E316 VanDerWaalsContact NE2-OE1 3.11Å; Y91-E316 PolarHBondContact OH-OE2 2.85Å; Y91-E316 VanDerWaalsContact OH-OE2 3.12Å; F173-E316 HydrophobicContact CE2-CG 4.02Å; F173-E316 HydrophobicContact CZ-CG 3.78Å; L311-E316 HydrophobicContact CB-CB 4.26Å; L311-E316 HydrophobicContact CD2-CB 4.26Å; L311-E316 HydrophobicContact CD2-CG 4.44Å; L311-E316 PolarHBondContact O-N 3.15Å
317	S	77.1	Confident	92	Very high	100 Å²	100	62.3 Å²	62.3	70%	0.699	36%	0.358	S	S	*	.			trans	-81.8	126.9	172.5	51.5	0	0	0	0	110.4
318	C	59.7	Low	91.5	Very high	121 Å²	121	68 Å²	68	82%	0.818	39%	0.391	S	S	*	.			trans	-74.9	0	168.7	-59.3	0	0	0	0	111.4

Retrieved 318 of 318 residues in 452.1 ms (Link to these results)

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