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2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial

Methyltransferase required for the conversion of 2-polyprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2).

AlphaFold DB , UniProt , Accession Q9VYF8, Species DROME (Drosophila melanogaster, Fruit fly), Gene Coq5, Length 301 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	35.3	Very low	221 Å²	221	130.3 Å²	130.3	100%	1.089	66%	0.659	S	S	*	*				0	-3	0	-86.5	176.5	134.4	0	0	115.1
2	Q	38.6	Very low	35.1	Very low	180 Å²	180	129 Å²	129	84%	0.841	65%	0.654	S	S	*	*			trans	-91.4	-18.8	-178.9	-80.8	173.9	-16.7	0	0	115.3	T4	Q2-T4 PolarHBondContact O-N 3.48Å
3	T	38.8	Very low	35.5	Very low	120 Å²	120	122.2 Å²	122.2	74%	0.736	63%	0.63	S	S	*	*	H	α-helix	trans	-73.6	-27.1	-175.2	42.4	0	0	0	0	114.4
4	T	35.7	Very low	36.3	Very low	95 Å²	95	120.6 Å²	120.6	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-83.5	-17.4	-178.2	37.8	0	0	0	0	114.7	Q2 T7	Q2-T4 PolarHBondContact O-N 3.48Å; T4-T7 PolarHBondContact O-OG1 3.03Å
5	R	32.6	Very low	37	Very low	204 Å²	204	126.8 Å²	126.8	77%	0.77	63%	0.625	S	S	*	*	H	α-helix	trans	-78.8	-32.5	176.8	-87	-174.7	172.8	-176.6	-1.6	112.7	L9	R5-L9 PolarHBondContact O-N 2.9Å
6	S	34.2	Very low	37.4	Very low	73 Å²	73	128.4 Å²	128.4	51%	0.51	63%	0.628	S	S	.	*	H	α-helix	trans	-66	-43.9	179.7	180	0	0	0	0	112.4	R8 L9 L10	S6-R8 VanDerWaalsContact C-N 3.34Å; S6-R8 PolarHBondContact O-N 3.05Å; S6-L9 PolarHBondContact O-N 3.17Å; S6-L10 WeakPolarHBondContact O-CD1 3.49Å; S6-L10 PolarHBondContact O-N 3.27Å
7	T	33.4	Very low	38.2	Very low	89 Å²	89	121.2 Å²	121.2	55%	0.546	59%	0.593	S	S	.	*	H	α-helix	trans	-65.9	-32.1	179.5	33.9	0	0	0	0	113.5	T4 S11	T4-T7 PolarHBondContact O-OG1 3.03Å; T7-S11 WeakPolarHBondContact O-CB 3.43Å; T7-S11 PolarHBondContact O-N 3.33Å
8	R	30.6	Very low	38.3	Very low	194 Å²	194	118.8 Å²	118.8	73%	0.732	58%	0.58	S	S	*	*	H	α-helix	trans	-71.3	-41.1	178.5	-78.8	-170.7	175.8	-166.8	-0.3	113.1	S6 S11 L12	S6-R8 VanDerWaalsContact C-N 3.34Å; S6-R8 PolarHBondContact O-N 3.05Å; R8-S11 PolarHBondContact O-N 2.88Å; R8-S11 PolarHBondContact O-OG 2.87Å; R8-L12 PolarHBondContact O-N 3Å
9	L	31	Very low	38.6	Very low	138 Å²	138	115.7 Å²	115.7	72%	0.723	57%	0.569	S	S	*	*	H	α-helix	trans	-66.6	-40.2	176.4	-100.2	137.2	0	0	0	112	R5 S6 S11 L12 A13	R5-L9 PolarHBondContact O-N 2.9Å; S6-L9 PolarHBondContact O-N 3.17Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-A13 PolarHBondContact O-N 3.37Å
10	L	33.7	Very low	38.3	Very low	64 Å²	64	121.1 Å²	121.1	34%	0.335	58%	0.582	S	S	.	*	H	α-helix	trans	-61.7	-37.4	172.2	-80.1	155.4	0	0	0	112	S6 L12 R14	S6-L10 WeakPolarHBondContact O-CD1 3.49Å; S6-L10 PolarHBondContact O-N 3.27Å; L10-L12 PolarHBondContact O-N 2.88Å; L10-R14 WeakPolarHBondContact O-CB 3.39Å; L10-R14 WeakPolarHBondContact O-CG 3.28Å; L10-R14 PolarHBondContact O-N 3.39Å
11	S	40.2	Very low	38.2	Very low	55 Å²	55	119 Å²	119	39%	0.385	58%	0.577	S	S	.	*	H	α-helix	trans	-67.2	-35	179.3	80.4	0	0	0	0	113.7	T7 R8 L9 R15	T7-S11 WeakPolarHBondContact O-CB 3.43Å; T7-S11 PolarHBondContact O-N 3.33Å; R8-S11 PolarHBondContact O-N 2.88Å; R8-S11 PolarHBondContact O-OG 2.87Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.39Å; S11-R15 PolarHBondContact O-N 3.4Å
12	L	33	Very low	37.9	Very low	115 Å²	115	113.2 Å²	113.2	60%	0.602	57%	0.565	S	S	*	*	H	α-helix	trans	-74.3	-43.4	177.2	-104.7	92.7	0	0	0	111.6	R8 L9 L10 R14 R15 F16	R8-L12 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.34Å; L10-L12 PolarHBondContact O-N 2.88Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 3.46Å; L12-R15 PolarHBondContact O-N 2.95Å; L12-F16 PolarHBondContact O-N 3.46Å
13	A	40.1	Very low	38	Very low	41 Å²	41	107.3 Å²	107.3	34%	0.339	54%	0.543	S	S	.	.	H	α-helix	trans	-61.2	-40.1	175.9	0	0	0	0	0	111.5	L9 R15 F16 V17 V87	L9-A13 PolarHBondContact O-N 3.37Å; A13-R15 VanDerWaalsContact C-N 3.29Å; A13-R15 PolarHBondContact O-N 3.02Å; A13-F16 PolarHBondContact O-N 3.22Å; A13-F16 VanDerWaalsContact O-N 3.15Å; A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 2.89Å; A13-V87 HydrophobicContact CB-CG2 4.45Å
14	R	46.8	Very low	37.6	Very low	100 Å²	100	110.3 Å²	110.3	38%	0.377	55%	0.549	S	S	.	.	H	α-helix	trans	-57.2	-38.3	175.8	-78.7	171.7	-177.3	-128.2	-1.4	113	L10 L12 H18 E94	L10-R14 WeakPolarHBondContact O-CB 3.39Å; L10-R14 WeakPolarHBondContact O-CG 3.28Å; L10-R14 PolarHBondContact O-N 3.39Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 3.46Å; R14-H18 PolarHBondContact O-ND1 2.74Å; R14-E94 IonicContact CZ-OE2 3.32Å; R14-E94 IonicContact NH1-OE2 3.21Å; R14-E94 PolarHBondContact NH1-OE2 3.16Å; R14-E94 IonicContact NH2-OE2 3.56Å
15	R	46.3	Very low	37.3	Very low	213 Å²	213	110.9 Å²	110.9	80%	0.804	56%	0.557	S	S	*	*	H	α-helix	trans	-69.2	-35.6	178.1	-72.5	-174.2	-172.3	-158.1	1.2	112.6	S11 L12 A13 V17	S11-R15 PolarHBondContact O-N 3.4Å; L12-R15 PolarHBondContact O-N 2.95Å; A13-R15 VanDerWaalsContact C-N 3.29Å; A13-R15 PolarHBondContact O-N 3.02Å; R15-V17 VanDerWaalsContact C-N 3.33Å
16	F	43.7	Very low	37.1	Very low	153 Å²	153	105.9 Å²	105.9	67%	0.671	56%	0.559	S	S	*	*	H	α-helix	trans	-73.8	-21.5	180	-93.5	-84.4	0	0	0	114	L12 A13	L12-F16 PolarHBondContact O-N 3.46Å; A13-F16 PolarHBondContact O-N 3.22Å; A13-F16 VanDerWaalsContact O-N 3.15Å
17	V	51.6	Low	36.7	Very low	6 Å²	6	111.3 Å²	111.3	4%	0.036	58%	0.576	C	S	.	*	H	α-helix	trans	-78	-21.7	-179.8	174.7	0	0	0	0	112.6	A13 R15 T19 V87 L288 T289	A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 2.89Å; R15-V17 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 2.79Å; V17-V87 HydrophobicContact CG2-CG1 4.07Å; V17-L288 HydrophobicContact CG1-CB 3.7Å; V17-L288 HydrophobicContact CG1-CD2 3.71Å; V17-L288 HydrophobicContact CG1-CG 4.18Å; V17-T289 PolarHBondContact O-N 2.99Å
18	H	39.5	Very low	36.5	Very low	78 Å²	78	115.2 Å²	115.2	36%	0.361	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	111.2	-170.3	-76.9	67.2	0	0	0	113.3	R14 R95 E286	R14-H18 PolarHBondContact O-ND1 2.74Å; H18-R95 PolarHBondContact NE2-NH2 2.76Å; H18-E286 IonicContact CD2-OE1 3.44Å
19	T	43.8	Very low	36.3	Very low	60 Å²	60	111.4 Å²	111.4	37%	0.368	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	106.5	155.3	37	0	0	0	0	108.3	V17 T21	V17-T19 PolarHBondContact O-N 2.79Å; T19-T21 PolarHBondContact O-N 2.82Å
20	R	32.4	Very low	36.2	Very low	222 Å²	222	114.8 Å²	114.8	84%	0.838	61%	0.606	S	S	*	*			trans	-78.3	107	174.7	-87.4	-175.8	172.5	-177.9	-2.8	109.6
21	T	36	Very low	35.8	Very low	77 Å²	77	115.5 Å²	115.5	47%	0.472	63%	0.628	S	S	.	*			trans	-107.2	105.2	159.1	42.1	0	0	0	0	107.9	T19	T19-T21 PolarHBondContact O-N 2.82Å
22	A	33.9	Very low	35.1	Very low	101 Å²	101	122.2 Å²	122.2	84%	0.835	66%	0.656	S	S	*	*			trans	-82.9	112.1	166.9	0	0	0	0	0	107.6
23	S	41.1	Very low	34.9	Very low	55 Å²	55	121.6 Å²	121.6	39%	0.385	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-82.9	129.7	174.4	62.2	0	0	0	0	110.3
24	Q	30.5	Very low	34.5	Very low	184 Å²	184	125.3 Å²	125.3	86%	0.86	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-84.5	140.3	175.5	-75.7	177.8	-6.8	0	0	110.5
25	S	27.9	Very low	33.7	Very low	107 Å²	107	124.2 Å²	124.2	75%	0.748	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-53.8	126	-179.6	53	0	0	0	0	113.5
26	A	30.5	Very low	33	Very low	98 Å²	98	119 Å²	119	81%	0.81	71%	0.714	S	S	*	*			trans	-117.6	105.7	163.1	0	0	0	0	0	108.9
27	Q	25.2	Very low	32.4	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.874	72%	0.722	S	S	*	*			trans	-75.9	126.2	170.9	-73.7	177.5	-28.1	0	0	109.1
28	N	28.4	Very low	31.6	Very low	171 Å²	171	126 Å²	126	91%	0.914	76%	0.762	S	S	*	*			trans	-151.6	103.5	157.1	-109.8	-18.3	0	0	0	110.3
29	S	27.1	Very low	31.7	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	78%	0.778	S	S	*	*			trans	-94.7	121.2	172	56.5	0	0	0	0	109.9
30	K	28.7	Very low	31.8	Very low	210 Å²	210	131 Å²	131	91%	0.913	80%	0.795	S	S	*	*			trans	-137.5	113.2	157.1	-82.4	-169	177.1	-179.6	0	109.2
31	G	24.5	Very low	32.9	Very low	78 Å²	78	124.4 Å²	124.4	80%	0.804	80%	0.796	S	S	*	*			trans	-76.6	148	170.6	0	0	0	0	0	111.1
32	M	26.8	Very low	34	Very low	197 Å²	197	129.2 Å²	129.2	97%	0.97	81%	0.811	S	S	*	*			trans	-148	138.8	160.2	-143.5	134.6	112.5	0	0	110.1
33	A	28.2	Very low	36.1	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	79%	0.793	S	S	*	*			trans	-67.7	142.4	-165.1	0	0	0	0	0	113.8
34	S	32.7	Very low	38.2	Very low	120 Å²	120	133.3 Å²	133.3	84%	0.839	80%	0.804	S	S	*	*			trans	-90.3	113.9	173.7	58.3	0	0	0	0	110.7
35	G	29.6	Very low	41	Very low	77 Å²	77	128.8 Å²	128.8	79%	0.794	79%	0.789	S	S	*	*			trans	-74.1	130	162	0	0	0	0	0	109.9
36	A	30.5	Very low	43.9	Very low	104 Å²	104	124.7 Å²	124.7	86%	0.86	76%	0.76	S	S	*	*			trans	-88.8	111.1	175.1	0	0	0	0	0	109
37	E	31.1	Very low	46.5	Very low	181 Å²	181	122.3 Å²	122.3	85%	0.846	73%	0.732	S	S	*	*			trans	-123.2	124.4	163.6	-79	-172.7	166	0	0	109.7
38	S	34.5	Very low	49.3	Very low	125 Å²	125	114.6 Å²	114.6	87%	0.874	70%	0.695	S	S	*	*			trans	-72.8	118.5	179.7	45.5	0	0	0	0	110.5
39	I	43.5	Very low	52	Low	137 Å²	137	106.4 Å²	106.4	70%	0.703	65%	0.652	S	S	*	*			trans	-125.8	114	170.6	-61.2	-177.8	0	0	0	109
40	S	43.9	Very low	54.9	Low	105 Å²	105	106 Å²	106	73%	0.734	64%	0.636	S	S	*	*			trans	0.4	121.6	150.6	177.6	0	0	0	0	115	K42	S40-K42 PolarHBondContact O-N 3.47Å
41	G	56.1	Low	57.6	Low	83 Å²	83	100.9 Å²	100.9	86%	0.856	62%	0.615	S	S	*	*			trans	-54.2	69	-169.4	0	0	0	0	0	116.6	E43	G41-E43 PolarHBondContact O-N 3.05Å
42	K	59.8	Low	60.6	Low	179 Å²	179	102.5 Å²	102.5	78%	0.778	61%	0.609	S	S	*	*			trans	-66.3	113.3	158.9	-74.9	-176	176.8	179.8	0	106.5	S40 K44	S40-K42 PolarHBondContact O-N 3.47Å; K42-K44 PolarHBondContact O-N 3.44Å
43	E	77.3	Confident	63.4	Low	98 Å²	98	93.4 Å²	93.4	46%	0.458	57%	0.565	S	S	.	*			trans	-48.9	128.5	173	-163.3	173.7	-175.8	0	0	109	G41 R54 S56	G41-E43 PolarHBondContact O-N 3.05Å; E43-R54 WeakPolarHBondContact OE2-CD 3.39Å; E43-R54 IonicContact OE2-CZ 3.74Å; E43-R54 IonicContact OE2-NE 3.25Å; E43-R54 PolarHBondContact OE2-NE 3.37Å; E43-R54 IonicContact OE2-NH1 2.76Å; E43-S56 PolarHBondContact OE1-OG 3.42Å
44	K	86.5	Confident	66.3	Low	144 Å²	144	94.8 Å²	94.8	63%	0.626	55%	0.549	S	S	*	.			trans	-63.7	149.5	-176.1	-66.7	-178.2	178.6	-179.3	0	110.1	K42 E55	K42-K44 PolarHBondContact O-N 3.44Å; K44-E55 HydrophobicContact CB-CG 4Å; K44-E55 WeakPolarHBondContact CB-OE1 3.17Å; K44-E55 PolarHBondContact O-N 3.37Å
45	T	88.4	Confident	68.9	Low	89 Å²	89	91.6 Å²	91.6	55%	0.546	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151.4	-178.1	61.4	0	0	0	0	110.9	T52 V53	T45-T52 HydrophobicContact CG2-CG2 4.28Å; T45-V53 CarbonylContact C-O 3.48Å; T45-V53 VanDerWaalsContact CA-O 3.26Å; T45-V53 WeakPolarHBondContact CA-O 3.19Å; T45-V53 WeakPolarHBondContact CB-O 3.37Å
46	T	89.3	Confident	71.6	Confident	20 Å²	20	91.4 Å²	91.4	12%	0.123	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	-178.2	179.8	-169.9	0	0	0	0	109.7	T52 V53 E55 K58 T197	T46-T52 WeakPolarHBondContact O-CA 3.15Å; T46-V53 HydrophobicContact CG2-CG2 3.89Å; T46-V53 PolarHBondContact N-O 2.96Å; T46-V53 PolarHBondContact O-N 3.08Å; T46-E55 HydrophobicContact CG2-CG 4.08Å; T46-K58 HydrophobicContact CG2-CB 3.67Å; T46-K58 HydrophobicContact CG2-CD 3.45Å; T46-K58 VanDerWaalsContact CG2-CD 3.45Å; T46-K58 HydrophobicContact CG2-CG 4.17Å; T46-T197 HydrophobicContact CG2-CG2 3.94Å
47	H	84	Confident	74.3	Confident	48 Å²	48	89.7 Å²	89.7	22%	0.222	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.5	-179.4	64.5	83.5	0	0	0	112.4	Q51 K58	H47-Q51 CarbonylContact C-O 3.29Å; H47-Q51 WeakPolarHBondContact CA-O 3.39Å; H47-K58 WeakPolarHBondContact O-CD 3.44Å; H47-K58 PolarHBondContact O-NZ 3.18Å
48	F	84.2	Confident	77	Confident	25 Å²	25	81.1 Å²	81.1	11%	0.11	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	98.4	163.3	179.2	-94.7	0	0	0	107.5	F50 Q51 V53 K61 V62 V65 Y257	F48-F50 PolarHBondContact O-N 3.4Å; F48-Q51 PolarHBondContact N-O 2.77Å; F48-Q51 WeakPolarHBondContact O-CB 3.36Å; F48-Q51 PolarHBondContact O-N 3.45Å; F48-V53 HydrophobicContact CB-CB 4.5Å; F48-V53 HydrophobicContact CB-CG1 3.82Å; F48-V53 HydrophobicContact CB-CG2 3.81Å; F48-K61 HydrophobicContact CB-CD 4.49Å; F48-K61 HydrophobicContact CD1-CD 4.14Å; F48-K61 HydrophobicContact CD2-CB 3.63Å; F48-K61 HydrophobicContact CD2-CD 4.26Å; F48-K61 HydrophobicContact CE1-CB 4.48Å; F48-K61 HydrophobicContact CE1-CD 4.45Å; F48-K61 HydrophobicContact CE2-CB 3.44Å; F48-K61 VanDerWaalsContact CE2-CB 3.44Å; F48-K61 HydrophobicContact CG-CB 4.25Å; F48-K61 HydrophobicContact CG-CD 4.03Å; F48-K61 HydrophobicContact CZ-CB 3.9Å; F48-V62 HydrophobicContact CD2-CG2 4.14Å; F48-V62 HydrophobicContact CE2-CG2 4.07Å; F48-V65 HydrophobicContact CE2-CG2 4.39Å; F48-V65 HydrophobicContact CZ-CG2 3.89Å; F48-Y257 HydrophobicContact CD1-CD2 4.04Å; F48-Y257 HydrophobicContact CD1-CE2 4.5Å; F48-Y257 AromaticContact CD2-CD2 3.75Å; F48-Y257 HydrophobicContact CD2-CD2 3.75Å; F48-Y257 AromaticContact CD2-CE2 3.46Å; F48-Y257 HydrophobicContact CD2-CE2 3.46Å; F48-Y257 VanDerWaalsContact CD2-CE2 3.46Å; F48-Y257 AromaticContact CE1-CD2 3.79Å; F48-Y257 HydrophobicContact CE1-CD2 3.79Å; F48-Y257 HydrophobicContact CE1-CE2 4.5Å; F48-Y257 HydrophobicContact CE1-CG 4.32Å; F48-Y257 AromaticContact CE2-CD2 3.46Å; F48-Y257 HydrophobicContact CE2-CD2 3.46Å; F48-Y257 VanDerWaalsContact CE2-CD2 3.46Å; F48-Y257 AromaticContact CE2-CE2 3.44Å; F48-Y257 HydrophobicContact CE2-CE2 3.44Å; F48-Y257 VanDerWaalsContact CE2-CE2 3.44Å; F48-Y257 HydrophobicContact CE2-CG 4.05Å; F48-Y257 HydrophobicContact CG-CD2 4.02Å; F48-Y257 HydrophobicContact CG-CE2 4.02Å; F48-Y257 AromaticContact CZ-CD2 3.5Å; F48-Y257 HydrophobicContact CZ-CD2 3.5Å; F48-Y257 HydrophobicContact CZ-CE2 4.01Å; F48-Y257 AromaticContact CZ-CG 3.83Å; F48-Y257 HydrophobicContact CZ-CG 3.83Å
49	G	86.1	Confident	79.4	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-125.5	-164	0	0	0	0	0	110.6	E260 R264	G49-E260 VanDerWaalsContact CA-CB 3.43Å; G49-E260 VanDerWaalsContact CA-OE2 3.32Å; G49-E260 WeakPolarHBondContact CA-OE2 3.38Å; G49-R264 VanDerWaalsContact O-CG 3.3Å; G49-R264 WeakPolarHBondContact O-CG 3.45Å
50	F	86.3	Confident	81.5	Confident	104 Å²	104	79.7 Å²	79.7	46%	0.456	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.5	174.9	-63.9	-21.1	0	0	0	114.4	F48 F238 E260 R263 R264	F48-F50 PolarHBondContact O-N 3.4Å; F50-F238 AromaticContact CE2-CE1 3.91Å; F50-F238 HydrophobicContact CE2-CE1 3.91Å; F50-F238 AromaticContact CE2-CZ 3.85Å; F50-F238 HydrophobicContact CE2-CZ 3.85Å; F50-F238 HydrophobicContact CZ-CE1 4.35Å; F50-F238 AromaticContact CZ-CZ 3.82Å; F50-F238 HydrophobicContact CZ-CZ 3.82Å; F50-E260 HydrophobicContact CD1-CB 3.96Å; F50-E260 HydrophobicContact CD1-CG 4.08Å; F50-E260 HydrophobicContact CD2-CB 4.41Å; F50-E260 HydrophobicContact CD2-CG 3.62Å; F50-E260 HydrophobicContact CE1-CB 4.04Å; F50-E260 HydrophobicContact CE1-CG 4.16Å; F50-E260 HydrophobicContact CE2-CB 4.49Å; F50-E260 HydrophobicContact CE2-CG 3.73Å; F50-E260 HydrophobicContact CG-CB 4.16Å; F50-E260 HydrophobicContact CG-CG 3.82Å; F50-E260 HydrophobicContact CZ-CB 4.32Å; F50-E260 HydrophobicContact CZ-CG 4Å; F50-E260 PolarHBondContact N-OE2 3.18Å; F50-R263 HydrophobicContact CE1-CB 4.12Å; F50-R263 HydrophobicContact CZ-CB 4.38Å; F50-R264 HydrophobicContact CD1-CG 4.26Å; F50-R264 HydrophobicContact CE1-CG 4.45Å
51	Q	85.9	Confident	83.5	Confident	104 Å²	104	77.4 Å²	77.4	49%	0.486	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.1	177	-56.9	-179.1	9.5	0	0	110.7	H47 F48 V53	H47-Q51 CarbonylContact C-O 3.29Å; H47-Q51 WeakPolarHBondContact CA-O 3.39Å; F48-Q51 PolarHBondContact N-O 2.77Å; F48-Q51 WeakPolarHBondContact O-CB 3.36Å; F48-Q51 PolarHBondContact O-N 3.45Å; Q51-V53 HydrophobicContact CB-CG1 4.28Å
52	T	87.9	Confident	84.7	Confident	111 Å²	111	74 Å²	74	68%	0.681	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.6	164.9	-57.6	0	0	0	0	108.7	T45 T46	T45-T52 HydrophobicContact CG2-CG2 4.28Å; T46-T52 WeakPolarHBondContact O-CA 3.15Å
53	V	86.5	Confident	85.9	Confident	7 Å²	7	68.6 Å²	68.6	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	163.5	-178.5	-60.7	0	0	0	0	110.1	T45 T46 F48 Q51 E57 K58 K61	T45-V53 CarbonylContact C-O 3.48Å; T45-V53 VanDerWaalsContact CA-O 3.26Å; T45-V53 WeakPolarHBondContact CA-O 3.19Å; T45-V53 WeakPolarHBondContact CB-O 3.37Å; T46-V53 HydrophobicContact CG2-CG2 3.89Å; T46-V53 PolarHBondContact N-O 2.96Å; T46-V53 PolarHBondContact O-N 3.08Å; F48-V53 HydrophobicContact CB-CB 4.5Å; F48-V53 HydrophobicContact CB-CG1 3.82Å; F48-V53 HydrophobicContact CB-CG2 3.81Å; Q51-V53 HydrophobicContact CB-CG1 4.28Å; V53-E57 HydrophobicContact CB-CB 4.49Å; V53-K58 HydrophobicContact CG2-CB 4.05Å; V53-K61 HydrophobicContact CG1-CD 4.2Å; V53-K61 VanDerWaalsContact CG1-NZ 3.33Å
54	R	88.3	Confident	86.2	Confident	129 Å²	129	67.9 Å²	67.9	49%	0.487	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	146.3	169.9	-64.7	171.2	174.9	178.8	1.5	109.5	E43 S56 E57 K58	E43-R54 WeakPolarHBondContact OE2-CD 3.39Å; E43-R54 IonicContact OE2-CZ 3.74Å; E43-R54 IonicContact OE2-NE 3.25Å; E43-R54 PolarHBondContact OE2-NE 3.37Å; E43-R54 IonicContact OE2-NH1 2.76Å; R54-S56 WeakPolarHBondContact CB-OG 3.43Å; R54-S56 PolarHBondContact O-N 3.28Å; R54-E57 HydrophobicContact CB-CB 4.35Å; R54-E57 HydrophobicContact CB-CG 3.99Å; R54-E57 WeakPolarHBondContact CD-OE1 3.43Å; R54-E57 PolarHBondContact O-N 3.39Å; R54-K58 PolarHBondContact O-N 3.27Å
55	E	87.6	Confident	85.9	Confident	53 Å²	53	61.8 Å²	61.8	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-55.8	-38.2	175.4	-77.3	-179.5	-173.1	0	0	111.7	K44 T46 E57 K58 T197 H198	K44-E55 HydrophobicContact CB-CG 4Å; K44-E55 WeakPolarHBondContact CB-OE1 3.17Å; K44-E55 PolarHBondContact O-N 3.37Å; T46-E55 HydrophobicContact CG2-CG 4.08Å; E55-E57 PolarHBondContact O-N 3.15Å; E55-K58 PolarHBondContact O-N 3.08Å; E55-T197 HydrophobicContact CB-CG2 4.32Å; E55-T197 HydrophobicContact CG-CG2 3.95Å; E55-H198 IonicContact OE1-NE2 2.73Å; E55-H198 PolarHBondContact OE1-NE2 3.21Å; E55-H198 IonicContact OE2-CE1 3.98Å; E55-H198 IonicContact OE2-NE2 2.77Å; E55-H198 PolarHBondContact OE2-NE2 3.44Å
56	S	86.5	Confident	85.4	Confident	74 Å²	74	59 Å²	59	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-23.3	176	51.7	0	0	0	0	114.3	E43 R54	E43-S56 PolarHBondContact OE1-OG 3.42Å; R54-S56 WeakPolarHBondContact CB-OG 3.43Å; R54-S56 PolarHBondContact O-N 3.28Å
57	E	86.7	Confident	84.9	Confident	68 Å²	68	62.7 Å²	62.7	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-93.1	-23.7	-179.1	-69.4	173.6	-177.4	0	0	113	V53 R54 E55 E59 Q60 K61	V53-E57 HydrophobicContact CB-CB 4.49Å; R54-E57 HydrophobicContact CB-CB 4.35Å; R54-E57 HydrophobicContact CB-CG 3.99Å; R54-E57 WeakPolarHBondContact CD-OE1 3.43Å; R54-E57 PolarHBondContact O-N 3.39Å; E55-E57 PolarHBondContact O-N 3.15Å; E57-E59 PolarHBondContact O-N 3.49Å; E57-Q60 PolarHBondContact O-N 3.41Å; E57-K61 WeakPolarHBondContact O-CG 3.36Å; E57-K61 PolarHBondContact O-N 3.46Å
58	K	87.7	Confident	84.4	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-45.9	-173	175.7	167.9	168.2	175.9	0	111.5	T46 H47 V53 R54 E55 Q60 K61 V62 N195 C196 T197	T46-K58 HydrophobicContact CG2-CB 3.67Å; T46-K58 HydrophobicContact CG2-CD 3.45Å; T46-K58 VanDerWaalsContact CG2-CD 3.45Å; T46-K58 HydrophobicContact CG2-CG 4.17Å; H47-K58 WeakPolarHBondContact O-CD 3.44Å; H47-K58 PolarHBondContact O-NZ 3.18Å; V53-K58 HydrophobicContact CG2-CB 4.05Å; R54-K58 PolarHBondContact O-N 3.27Å; E55-K58 PolarHBondContact O-N 3.08Å; K58-Q60 VanDerWaalsContact C-N 3.35Å; K58-Q60 PolarHBondContact O-N 3.33Å; K58-K61 PolarHBondContact O-N 3.47Å; K58-V62 HydrophobicContact CG-CG2 4.22Å; K58-V62 WeakPolarHBondContact O-CB 3.38Å; K58-V62 VanDerWaalsContact O-CG2 3.26Å; K58-V62 WeakPolarHBondContact O-CG2 3.14Å; K58-V62 PolarHBondContact O-N 3.45Å; K58-N195 WeakPolarHBondContact CE-O 3.38Å; K58-C196 WeakPolarHBondContact CE-O 3.16Å; K58-C196 PolarHBondContact NZ-O 3.26Å; K58-T197 HydrophobicContact CD-CG2 4.21Å; K58-T197 WeakPolarHBondContact CD-OG1 3.43Å
59	E	85.5	Confident	83.9	Confident	108 Å²	108	65.1 Å²	65.1	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-57.5	-48.2	179.9	-171.4	-171.4	151.3	0	0	111.3	E57 V62 H63 I140	E57-E59 PolarHBondContact O-N 3.49Å; E59-V62 PolarHBondContact O-N 3.37Å; E59-H63 WeakPolarHBondContact O-CB 3.43Å; E59-H63 PolarHBondContact O-N 3.25Å; E59-I140 HydrophobicContact CG-CD1 3.77Å; E59-I140 WeakPolarHBondContact OE1-CD1 3.39Å
60	Q	86.7	Confident	83.1	Confident	123 Å²	123	65.3 Å²	65.3	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-62.1	-47	178.9	-174.7	-176.1	-16	0	0	111.9	E57 K58 V62 H63 E64	E57-Q60 PolarHBondContact O-N 3.41Å; K58-Q60 VanDerWaalsContact C-N 3.35Å; K58-Q60 PolarHBondContact O-N 3.33Å; Q60-V62 VanDerWaalsContact C-N 3.29Å; Q60-V62 PolarHBondContact O-N 2.64Å; Q60-H63 WeakPolarHBondContact O-CB 3.29Å; Q60-H63 PolarHBondContact O-N 2.92Å; Q60-E64 PolarHBondContact NE2-OE1 3.26Å; Q60-E64 WeakPolarHBondContact O-CG 3.22Å; Q60-E64 PolarHBondContact O-N 3.08Å
61	K	85.6	Confident	82.4	Confident	57 Å²	57	66.2 Å²	66.2	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-38.3	179	-70.4	-175	176.9	-170.8	0	112.2	F48 V53 E57 K58 V65	F48-K61 HydrophobicContact CB-CD 4.49Å; F48-K61 HydrophobicContact CD1-CD 4.14Å; F48-K61 HydrophobicContact CD2-CB 3.63Å; F48-K61 HydrophobicContact CD2-CD 4.26Å; F48-K61 HydrophobicContact CE1-CB 4.48Å; F48-K61 HydrophobicContact CE1-CD 4.45Å; F48-K61 HydrophobicContact CE2-CB 3.44Å; F48-K61 VanDerWaalsContact CE2-CB 3.44Å; F48-K61 HydrophobicContact CG-CB 4.25Å; F48-K61 HydrophobicContact CG-CD 4.03Å; F48-K61 HydrophobicContact CZ-CB 3.9Å; V53-K61 HydrophobicContact CG1-CD 4.2Å; V53-K61 VanDerWaalsContact CG1-NZ 3.33Å; E57-K61 WeakPolarHBondContact O-CG 3.36Å; E57-K61 PolarHBondContact O-N 3.46Å; K58-K61 PolarHBondContact O-N 3.47Å; K61-V65 WeakPolarHBondContact O-CG2 3.38Å; K61-V65 PolarHBondContact O-N 3.5Å
62	V	82.7	Confident	81.6	Confident	12 Å²	12	63.1 Å²	63.1	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-44.5	175.1	169	0	0	0	0	110.4	F48 K58 E59 Q60 E64 V65 F66 N195 Y257	F48-V62 HydrophobicContact CD2-CG2 4.14Å; F48-V62 HydrophobicContact CE2-CG2 4.07Å; K58-V62 HydrophobicContact CG-CG2 4.22Å; K58-V62 WeakPolarHBondContact O-CB 3.38Å; K58-V62 VanDerWaalsContact O-CG2 3.26Å; K58-V62 WeakPolarHBondContact O-CG2 3.14Å; K58-V62 PolarHBondContact O-N 3.45Å; E59-V62 PolarHBondContact O-N 3.37Å; Q60-V62 VanDerWaalsContact C-N 3.29Å; Q60-V62 PolarHBondContact O-N 2.64Å; V62-E64 PolarHBondContact O-N 2.88Å; V62-V65 PolarHBondContact O-N 3.38Å; V62-F66 HydrophobicContact CG1-CD2 3.65Å; V62-F66 HydrophobicContact CG1-CE2 3.71Å; V62-F66 VanDerWaalsContact O-CD2 3.27Å; V62-F66 WeakPolarHBondContact O-CD2 3.1Å; V62-F66 PolarHBondContact O-N 3.05Å; V62-N195 HydrophobicContact CG1-CB 3.79Å; V62-Y257 WeakPolarHBondContact CG2-OH 3.4Å
63	H	84.9	Confident	80.7	Confident	66 Å²	66	59.7 Å²	59.7	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-55.9	-48.9	176.6	-174.1	93.8	0	0	0	111.7	E59 Q60 V65 F66 E67	E59-H63 WeakPolarHBondContact O-CB 3.43Å; E59-H63 PolarHBondContact O-N 3.25Å; Q60-H63 WeakPolarHBondContact O-CB 3.29Å; Q60-H63 PolarHBondContact O-N 2.92Å; H63-V65 VanDerWaalsContact C-N 3.35Å; H63-V65 PolarHBondContact O-N 2.73Å; H63-F66 PolarHBondContact O-N 3.43Å; H63-E67 IonicContact CD2-OE2 3.48Å; H63-E67 IonicContact NE2-OE2 3.86Å; H63-E67 WeakPolarHBondContact O-CB 3.49Å; H63-E67 PolarHBondContact O-N 3.18Å
64	E	83.5	Confident	79.9	Confident	82 Å²	82	61.3 Å²	61.3	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-42.2	178.6	-72.3	171.8	-166.2	0	0	112.1	Q60 V62 Q68	Q60-E64 PolarHBondContact NE2-OE1 3.26Å; Q60-E64 WeakPolarHBondContact O-CG 3.22Å; Q60-E64 PolarHBondContact O-N 3.08Å; V62-E64 PolarHBondContact O-N 2.88Å; E64-Q68 WeakPolarHBondContact O-CB 3.24Å; E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3Å; E64-Q68 VanDerWaalsContact O-N 3.12Å
65	V	80.4	Confident	79.1	Confident	17 Å²	17	59.4 Å²	59.4	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-49	175	168.1	0	0	0	0	110.7	F48 K61 V62 H63 Q68 V69 A254 Y257	F48-V65 HydrophobicContact CE2-CG2 4.39Å; F48-V65 HydrophobicContact CZ-CG2 3.89Å; K61-V65 WeakPolarHBondContact O-CG2 3.38Å; K61-V65 PolarHBondContact O-N 3.5Å; V62-V65 PolarHBondContact O-N 3.38Å; H63-V65 VanDerWaalsContact C-N 3.35Å; H63-V65 PolarHBondContact O-N 2.73Å; V65-Q68 PolarHBondContact O-N 3.26Å; V65-V69 WeakPolarHBondContact O-CG2 3.39Å; V65-V69 PolarHBondContact O-N 3.49Å; V65-V69 VanDerWaalsContact O-N 3.07Å; V65-A254 HydrophobicContact CG1-CB 3.81Å; V65-Y257 HydrophobicContact CG1-CD1 4.1Å; V65-Y257 HydrophobicContact CG2-CD1 4.44Å
66	F	78.1	Confident	78.3	Confident	29 Å²	29	57.5 Å²	57.5	13%	0.127	29%	0.293	C	S	.	.	H	α-helix	trans	-70.9	-36.5	-176.6	-81.2	-72	0	0	0	113.5	V62 H63 Q68 V69 A70 Y73 N195	V62-F66 HydrophobicContact CG1-CD2 3.65Å; V62-F66 HydrophobicContact CG1-CE2 3.71Å; V62-F66 VanDerWaalsContact O-CD2 3.27Å; V62-F66 WeakPolarHBondContact O-CD2 3.1Å; V62-F66 PolarHBondContact O-N 3.05Å; H63-F66 PolarHBondContact O-N 3.43Å; F66-Q68 VanDerWaalsContact C-N 3.31Å; F66-Q68 PolarHBondContact O-N 3.3Å; F66-V69 HydrophobicContact CD1-CG2 4.2Å; F66-V69 PolarHBondContact O-N 3.19Å; F66-A70 WeakPolarHBondContact O-CA 3.17Å; F66-A70 WeakPolarHBondContact O-CB 3.47Å; F66-A70 PolarHBondContact O-N 2.89Å; F66-Y73 HydrophobicContact CE1-CE2 4.12Å; F66-N195 HydrophobicContact CE2-CB 4.04Å; F66-N195 WeakPolarHBondContact CZ-ND2 3.37Å
67	E	78.1	Confident	77.8	Confident	98 Å²	98	54.7 Å²	54.7	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-43.4	174	-171.4	177.9	-164.1	0	0	110.9	H63	H63-E67 IonicContact CD2-OE2 3.48Å; H63-E67 IonicContact NE2-OE2 3.86Å; H63-E67 WeakPolarHBondContact O-CB 3.49Å; H63-E67 PolarHBondContact O-N 3.18Å
68	Q	74	Confident	77.2	Confident	112 Å²	112	53.3 Å²	53.3	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-67.3	-40	178.2	-72.1	176.7	7.2	0	0	112.9	E64 V65 F66 Q251	E64-Q68 WeakPolarHBondContact O-CB 3.24Å; E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3Å; E64-Q68 VanDerWaalsContact O-N 3.12Å; V65-Q68 PolarHBondContact O-N 3.26Å; F66-Q68 VanDerWaalsContact C-N 3.31Å; F66-Q68 PolarHBondContact O-N 3.3Å; Q68-Q251 VanDerWaalsContact C-NE2 3.34Å; Q68-Q251 PolarHBondContact O-NE2 2.98Å
69	V	72.9	Confident	76.3	Confident	12 Å²	12	54.5 Å²	54.5	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-85.8	-13.8	-179	-61.4	0	0	0	0	114	V65 F66 N71 S72 Y73 A254	V65-V69 WeakPolarHBondContact O-CG2 3.39Å; V65-V69 PolarHBondContact O-N 3.49Å; V65-V69 VanDerWaalsContact O-N 3.07Å; F66-V69 HydrophobicContact CD1-CG2 4.2Å; F66-V69 PolarHBondContact O-N 3.19Å; V69-N71 PolarHBondContact O-N 3.43Å; V69-N71 VanDerWaalsContact O-N 3.16Å; V69-S72 CarbonylContact O-C 3.56Å; V69-S72 PolarHBondContact O-N 3.41Å; V69-Y73 HydrophobicContact CG2-CD2 3.97Å; V69-Y73 WeakPolarHBondContact O-CA 3.38Å; V69-Y73 WeakPolarHBondContact O-CB 3.21Å; V69-Y73 PolarHBondContact O-N 2.87Å; V69-A254 HydrophobicContact CG1-CB 3.84Å
70	A	69.5	Low	75.6	Confident	5 Å²	5	50.8 Å²	50.8	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-51.4	-166.9	0	0	0	0	0	114.2	F66 S72 Y73 M144	F66-A70 WeakPolarHBondContact O-CA 3.17Å; F66-A70 WeakPolarHBondContact O-CB 3.47Å; F66-A70 PolarHBondContact O-N 2.89Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 2.94Å; A70-Y73 WeakPolarHBondContact O-CB 3.28Å; A70-Y73 PolarHBondContact O-N 3.48Å; A70-M144 HydrophobicContact CB-SD 3.48Å; A70-M144 WeakPolarHBondContact CB-SD 3.17Å
71	N	70.7	Confident	75	Confident	123 Å²	123	45.8 Å²	45.8	66%	0.658	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.2	-178	-70.7	-38.5	0	0	0	113.5	V69	V69-N71 PolarHBondContact O-N 3.43Å; V69-N71 VanDerWaalsContact O-N 3.16Å
72	S	69.6	Low	74.6	Confident	39 Å²	39	50 Å²	50	27%	0.273	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-7.3	-178.4	-58.6	0	0	0	0	112.5	V69 A70 D74 V75 M76	V69-S72 CarbonylContact O-C 3.56Å; V69-S72 PolarHBondContact O-N 3.41Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 2.94Å; S72-D74 VanDerWaalsContact C-N 3.35Å; S72-D74 PolarHBondContact O-N 3.3Å; S72-V75 PolarHBondContact O-N 3.23Å; S72-V75 VanDerWaalsContact O-N 3.08Å; S72-M76 WeakPolarHBondContact O-CB 3.28Å; S72-M76 WeakPolarHBondContact O-CG 3.44Å; S72-M76 PolarHBondContact O-N 2.84Å
73	Y	68.5	Low	74.7	Confident	38 Å²	38	50.5 Å²	50.5	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-54.5	-46.7	-167.4	-171.9	-104.6	0	0	0	112.9	F66 V69 A70 M76 N77	F66-Y73 HydrophobicContact CE1-CE2 4.12Å; V69-Y73 HydrophobicContact CG2-CD2 3.97Å; V69-Y73 WeakPolarHBondContact O-CA 3.38Å; V69-Y73 WeakPolarHBondContact O-CB 3.21Å; V69-Y73 PolarHBondContact O-N 2.87Å; A70-Y73 WeakPolarHBondContact O-CB 3.28Å; A70-Y73 PolarHBondContact O-N 3.48Å; Y73-M76 PolarHBondContact O-N 3.24Å; Y73-N77 WeakPolarHBondContact CD1-ND2 3.45Å; Y73-N77 WeakPolarHBondContact CE1-ND2 3.28Å; Y73-N77 VanDerWaalsContact CZ-ND2 3.34Å; Y73-N77 WeakPolarHBondContact O-CB 3.4Å; Y73-N77 VanDerWaalsContact O-CG 3.24Å; Y73-N77 PolarHBondContact O-N 3.46Å; Y73-N77 PolarHBondContact O-ND2 2.91Å
74	D	70.5	Confident	74.9	Confident	42 Å²	42	50.4 Å²	50.4	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-43.9	179.7	-77	-3.5	0	0	0	111.9	S72 M76 N77 D78 R151	S72-D74 VanDerWaalsContact C-N 3.35Å; S72-D74 PolarHBondContact O-N 3.3Å; D74-M76 VanDerWaalsContact C-N 3.25Å; D74-M76 PolarHBondContact O-N 2.56Å; D74-N77 PolarHBondContact O-N 3.03Å; D74-D78 PolarHBondContact O-N 3.11Å; D74-R151 IonicContact OD2-CZ 3.53Å; D74-R151 VanDerWaalsContact OD2-CZ 3.29Å; D74-R151 IonicContact OD2-NH1 2.75Å; D74-R151 PolarHBondContact OD2-NH1 3.19Å; D74-R151 IonicContact OD2-NH2 3.6Å; D74-R151 PolarHBondContact OD2-NH2 3.45Å
75	V	70.7	Confident	75	Confident	89 Å²	89	46.9 Å²	46.9	54%	0.539	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-36.8	178.5	-172.8	0	0	0	0	110.7	S72 D78 A79	S72-V75 PolarHBondContact O-N 3.23Å; S72-V75 VanDerWaalsContact O-N 3.08Å; V75-D78 WeakPolarHBondContact O-CB 3.38Å; V75-D78 PolarHBondContact O-N 2.89Å; V75-A79 PolarHBondContact O-N 3.37Å
76	M	72	Confident	75.5	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.059	27%	0.273	C	S	.	.	H	α-helix	trans	-79.9	-36.9	-176.1	-63.4	-64.5	102.7	0	0	111.6	S72 Y73 D74 D78 A79 M80 L248 A249 Y255	S72-M76 WeakPolarHBondContact O-CB 3.28Å; S72-M76 WeakPolarHBondContact O-CG 3.44Å; S72-M76 PolarHBondContact O-N 2.84Å; Y73-M76 PolarHBondContact O-N 3.24Å; D74-M76 VanDerWaalsContact C-N 3.25Å; D74-M76 PolarHBondContact O-N 2.56Å; M76-D78 VanDerWaalsContact C-N 3.28Å; M76-D78 PolarHBondContact O-N 3.48Å; M76-A79 PolarHBondContact O-N 3.18Å; M76-M80 HydrophobicContact CB-CE 4.36Å; M76-M80 WeakPolarHBondContact O-CB 3.39Å; M76-M80 WeakPolarHBondContact O-CE 2.92Å; M76-M80 VanDerWaalsContact O-CG 3.28Å; M76-M80 WeakPolarHBondContact O-CG 3.48Å; M76-M80 PolarHBondContact O-N 2.94Å; M76-L248 HydrophobicContact CE-CB 3.83Å; M76-L248 HydrophobicContact CE-CD1 4.1Å; M76-L248 HydrophobicContact SD-CB 3.76Å; M76-L248 HydrophobicContact SD-CD1 4.38Å; M76-A249 HydrophobicContact CG-CB 4.31Å; M76-A249 HydrophobicContact SD-CB 3.9Å; M76-Y255 HydrophobicContact CB-CE1 4.24Å; M76-Y255 WeakPolarHBondContact CB-OH 3.38Å; M76-Y255 WeakPolarHBondContact CG-OH 3.28Å; M76-Y255 PolarHBondContact SD-OH 2.94Å
77	N	75.4	Confident	76.2	Confident	16 Å²	16	51.5 Å²	51.5	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-40.9	165.8	-74.8	-39.3	0	0	0	111.2	Y73 D74 S81 H85	Y73-N77 WeakPolarHBondContact CD1-ND2 3.45Å; Y73-N77 WeakPolarHBondContact CE1-ND2 3.28Å; Y73-N77 VanDerWaalsContact CZ-ND2 3.34Å; Y73-N77 WeakPolarHBondContact O-CB 3.4Å; Y73-N77 VanDerWaalsContact O-CG 3.24Å; Y73-N77 PolarHBondContact O-N 3.46Å; Y73-N77 PolarHBondContact O-ND2 2.91Å; D74-N77 PolarHBondContact O-N 3.03Å; N77-S81 VanDerWaalsContact O-CB 3.28Å; N77-S81 WeakPolarHBondContact O-CB 3.36Å; N77-S81 PolarHBondContact O-N 3.3Å; N77-S81 PolarHBondContact O-OG 3.29Å; N77-H85 VanDerWaalsContact C-CE1 3.49Å; N77-H85 PolarHBondContact O-ND1 3.07Å
78	D	74.6	Confident	77	Confident	38 Å²	38	47.4 Å²	47.4	20%	0.203	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-48.5	174.3	-83.1	-39.5	0	0	0	111.3	D74 V75 M76 L82 G83 H85 R86	D74-D78 PolarHBondContact O-N 3.11Å; V75-D78 WeakPolarHBondContact O-CB 3.38Å; V75-D78 PolarHBondContact O-N 2.89Å; M76-D78 VanDerWaalsContact C-N 3.28Å; M76-D78 PolarHBondContact O-N 3.48Å; D78-L82 CarbonylContact O-C 3.54Å; D78-L82 WeakPolarHBondContact O-CA 3.32Å; D78-L82 PolarHBondContact O-N 2.88Å; D78-G83 PolarHBondContact O-N 3.19Å; D78-H85 PolarHBondContact N-CE1 3.37Å; D78-H85 VanDerWaalsContact N-CE1 3.32Å; D78-H85 IonicContact OD1-CE1 2.72Å; D78-H85 PolarHBondContact OD1-CE1 3.2Å; D78-H85 IonicContact OD1-ND1 3.53Å; D78-H85 IonicContact OD1-NE2 2.81Å; D78-R86 VanDerWaalsContact CG-NH2 3.31Å; D78-R86 IonicContact OD1-CZ 3.18Å; D78-R86 VanDerWaalsContact OD1-CZ 3.32Å; D78-R86 IonicContact OD1-NE 3.63Å; D78-R86 PolarHBondContact OD1-NE 3.24Å; D78-R86 IonicContact OD1-NH2 2.77Å; D78-R86 PolarHBondContact OD1-NH2 2.78Å; D78-R86 IonicContact OD2-CZ 3.39Å; D78-R86 IonicContact OD2-NE 3.63Å; D78-R86 IonicContact OD2-NH2 3.97Å; D78-R86 PolarHBondContact OD2-NH2 3.35Å
79	A	68.6	Low	78	Confident	27 Å²	27	42.5 Å²	42.5	22%	0.223	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-51.5	-179.9	0	0	0	0	0	112.1	V75 M76 S81 L82 M244 L248	V75-A79 PolarHBondContact O-N 3.37Å; M76-A79 PolarHBondContact O-N 3.18Å; A79-S81 PolarHBondContact O-N 3.42Å; A79-L82 PolarHBondContact O-N 2.84Å; A79-M244 HydrophobicContact CB-SD 4.22Å; A79-L248 HydrophobicContact CB-CD1 3.92Å
80	M	71.5	Confident	79.1	Confident	30 Å²	30	44.4 Å²	44.4	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-37.5	-175.2	-68.3	-174.3	-74.2	0	0	113.1	M76 Y236 I241 Y255 L258	M76-M80 HydrophobicContact CB-CE 4.36Å; M76-M80 WeakPolarHBondContact O-CB 3.39Å; M76-M80 WeakPolarHBondContact O-CE 2.92Å; M76-M80 VanDerWaalsContact O-CG 3.28Å; M76-M80 WeakPolarHBondContact O-CG 3.48Å; M76-M80 PolarHBondContact O-N 2.94Å; M80-Y236 PolarHBondContact O-OH 2.91Å; M80-I241 HydrophobicContact CG-CG2 4.2Å; M80-I241 HydrophobicContact SD-CG2 3.52Å; M80-I241 VanDerWaalsContact SD-CG2 3.52Å; M80-Y255 HydrophobicContact CE-CD1 4.29Å; M80-Y255 HydrophobicContact CE-CE1 3.81Å; M80-Y255 HydrophobicContact CG-CE1 4.33Å; M80-Y255 HydrophobicContact SD-CD1 3.58Å; M80-Y255 VanDerWaalsContact SD-CD1 3.58Å; M80-Y255 HydrophobicContact SD-CE1 3.56Å; M80-Y255 VanDerWaalsContact SD-CE1 3.56Å; M80-L258 HydrophobicContact CE-CD2 3.75Å; M80-L258 HydrophobicContact SD-CD2 3.6Å; M80-L258 VanDerWaalsContact SD-CD2 3.6Å
81	S	72.9	Confident	80.4	Confident	17 Å²	17	44.4 Å²	44.4	12%	0.119	24%	0.238	C	C	.	.	H	α-helix	trans	-94.4	1.6	-179.2	71	0	0	0	0	113.7	N77 A79 G83 I84 H85	N77-S81 VanDerWaalsContact O-CB 3.28Å; N77-S81 WeakPolarHBondContact O-CB 3.36Å; N77-S81 PolarHBondContact O-N 3.3Å; N77-S81 PolarHBondContact O-OG 3.29Å; A79-S81 PolarHBondContact O-N 3.42Å; S81-G83 PolarHBondContact O-N 3.49Å; S81-G83 PolarHBondContact OG-N 3.48Å; S81-I84 VanDerWaalsContact O-CB 3.28Å; S81-I84 WeakPolarHBondContact O-CB 3.41Å; S81-I84 VanDerWaalsContact O-CG1 3.28Å; S81-I84 WeakPolarHBondContact O-CG1 3.24Å; S81-I84 PolarHBondContact O-N 3.45Å; S81-I84 PolarHBondContact OG-N 3.25Å; S81-H85 WeakPolarHBondContact OG-CB 3.4Å; S81-H85 PolarHBondContact OG-N 2.85Å; S81-H85 PolarHBondContact OG-ND1 3.19Å
82	L	78	Confident	81.7	Confident	147 Å²	147	38.6 Å²	38.6	77%	0.77	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.6	-170.3	-55.8	173	0	0	0	112	D78 A79 I84	D78-L82 CarbonylContact O-C 3.54Å; D78-L82 WeakPolarHBondContact O-CA 3.32Å; D78-L82 PolarHBondContact O-N 2.88Å; A79-L82 PolarHBondContact O-N 2.84Å; L82-I84 VanDerWaalsContact C-N 3.26Å; L82-I84 PolarHBondContact O-N 3.07Å
83	G	84.7	Confident	83.1	Confident	21 Å²	21	36.9 Å²	36.9	22%	0.216	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-3.4	-177.6	0	0	0	0	0	116	D78 S81 H85 R86	D78-G83 PolarHBondContact O-N 3.19Å; S81-G83 PolarHBondContact O-N 3.49Å; S81-G83 PolarHBondContact OG-N 3.48Å; G83-H85 PolarHBondContact O-N 3.33Å; G83-R86 PolarHBondContact O-N 3.03Å
84	I	88.5	Confident	84.4	Confident	65 Å²	65	38.6 Å²	38.6	33%	0.333	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-27.9	-178.3	-60.9	174.1	0	0	0	111.3	S81 L82 R86 V87 W88	S81-I84 VanDerWaalsContact O-CB 3.28Å; S81-I84 WeakPolarHBondContact O-CB 3.41Å; S81-I84 VanDerWaalsContact O-CG1 3.28Å; S81-I84 WeakPolarHBondContact O-CG1 3.24Å; S81-I84 PolarHBondContact O-N 3.45Å; S81-I84 PolarHBondContact OG-N 3.25Å; L82-I84 VanDerWaalsContact C-N 3.26Å; L82-I84 PolarHBondContact O-N 3.07Å; I84-R86 PolarHBondContact O-N 2.72Å; I84-V87 WeakPolarHBondContact O-CA 3.19Å; I84-V87 WeakPolarHBondContact O-CB 3.43Å; I84-V87 PolarHBondContact O-N 3.31Å; I84-W88 HydrophobicContact CB-CZ2 4.3Å; I84-W88 HydrophobicContact CG2-CD2 4.26Å; I84-W88 HydrophobicContact CG2-CZ2 3.71Å; I84-W88 PolarHBondContact O-N 3.45Å; I84-W88 VanDerWaalsContact O-N 3.11Å
85	H	85.8	Confident	85.7	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-28.6	178.1	79.2	-89.2	0	0	0	113.6	N77 D78 S81 G83 V87 W88 K89	N77-H85 VanDerWaalsContact C-CE1 3.49Å; N77-H85 PolarHBondContact O-ND1 3.07Å; D78-H85 PolarHBondContact N-CE1 3.37Å; D78-H85 VanDerWaalsContact N-CE1 3.32Å; D78-H85 IonicContact OD1-CE1 2.72Å; D78-H85 PolarHBondContact OD1-CE1 3.2Å; D78-H85 IonicContact OD1-ND1 3.53Å; D78-H85 IonicContact OD1-NE2 2.81Å; S81-H85 WeakPolarHBondContact OG-CB 3.4Å; S81-H85 PolarHBondContact OG-N 2.85Å; S81-H85 PolarHBondContact OG-ND1 3.19Å; G83-H85 PolarHBondContact O-N 3.33Å; H85-V87 VanDerWaalsContact C-N 3.29Å; H85-V87 PolarHBondContact O-N 2.93Å; H85-W88 VanDerWaalsContact CA-CE3 3.4Å; H85-W88 HydrophobicContact CB-CE3 3.76Å; H85-W88 HydrophobicContact CB-CZ3 4.07Å; H85-W88 PolarHBondContact O-N 3.44Å; H85-K89 WeakPolarHBondContact O-CG 3.22Å; H85-K89 PolarHBondContact O-N 2.81Å
86	R	90.4	Very high	87	Confident	127 Å²	127	35.6 Å²	35.6	48%	0.479	18%	0.181	S	C	.	.	H	α-helix	trans	-64.2	-39	175.9	-60.2	179	-178.4	-166.8	-4.3	110.9	D78 G83 I84 D90 R117	D78-R86 VanDerWaalsContact CG-NH2 3.31Å; D78-R86 IonicContact OD1-CZ 3.18Å; D78-R86 VanDerWaalsContact OD1-CZ 3.32Å; D78-R86 IonicContact OD1-NE 3.63Å; D78-R86 PolarHBondContact OD1-NE 3.24Å; D78-R86 IonicContact OD1-NH2 2.77Å; D78-R86 PolarHBondContact OD1-NH2 2.78Å; D78-R86 IonicContact OD2-CZ 3.39Å; D78-R86 IonicContact OD2-NE 3.63Å; D78-R86 IonicContact OD2-NH2 3.97Å; D78-R86 PolarHBondContact OD2-NH2 3.35Å; G83-R86 PolarHBondContact O-N 3.03Å; I84-R86 PolarHBondContact O-N 2.72Å; R86-D90 PolarHBondContact O-N 3.29Å; R86-R117 PolarHBondContact O-NH1 2.97Å
87	V	92.9	Very high	88.1	Confident	15 Å²	15	36.5 Å²	36.5	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-41.3	175.8	-176.1	0	0	0	0	110.2	A13 V17 I84 H85 K89 D90 V91	A13-V87 HydrophobicContact CB-CG2 4.45Å; V17-V87 HydrophobicContact CG2-CG1 4.07Å; I84-V87 WeakPolarHBondContact O-CA 3.19Å; I84-V87 WeakPolarHBondContact O-CB 3.43Å; I84-V87 PolarHBondContact O-N 3.31Å; H85-V87 VanDerWaalsContact C-N 3.29Å; H85-V87 PolarHBondContact O-N 2.93Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.86Å; V87-D90 PolarHBondContact O-N 2.88Å; V87-V91 HydrophobicContact CG1-CG2 4.3Å; V87-V91 WeakPolarHBondContact O-CB 3.25Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.41Å; V87-V91 PolarHBondContact O-N 2.79Å
88	W	94.9	Very high	89.1	Confident	12 Å²	12	35.8 Å²	35.8	5%	0.045	19%	0.19	C	C	.	.	H	α-helix	trans	-58.1	-46.7	175.5	-60.7	-28.5	0	0	0	112	I84 H85 V91 F92 F191 F221 L288 T289 V292 V293	I84-W88 HydrophobicContact CB-CZ2 4.3Å; I84-W88 HydrophobicContact CG2-CD2 4.26Å; I84-W88 HydrophobicContact CG2-CZ2 3.71Å; I84-W88 PolarHBondContact O-N 3.45Å; I84-W88 VanDerWaalsContact O-N 3.11Å; H85-W88 VanDerWaalsContact CA-CE3 3.4Å; H85-W88 HydrophobicContact CB-CE3 3.76Å; H85-W88 HydrophobicContact CB-CZ3 4.07Å; H85-W88 PolarHBondContact O-N 3.44Å; W88-V91 PolarHBondContact O-N 2.97Å; W88-F92 WeakPolarHBondContact O-CB 3.4Å; W88-F92 PolarHBondContact O-N 2.81Å; W88-F191 HydrophobicContact CE3-CZ 4.13Å; W88-F221 HydrophobicContact CZ3-CE1 4.14Å; W88-L288 HydrophobicContact CB-CD1 3.99Å; W88-L288 HydrophobicContact CG-CD1 4.09Å; W88-T289 HydrophobicContact CZ2-CG2 4.31Å; W88-T289 PolarHBondContact NE1-OG1 3.01Å; W88-V292 HydrophobicContact CH2-CG1 3.96Å; W88-V292 HydrophobicContact CZ2-CB 4.47Å; W88-V292 HydrophobicContact CZ2-CG1 4.26Å; W88-V293 HydrophobicContact CD2-CB 4.32Å; W88-V293 HydrophobicContact CD2-CG2 3.84Å; W88-V293 HydrophobicContact CE3-CB 4.45Å; W88-V293 HydrophobicContact CE3-CG2 3.55Å; W88-V293 HydrophobicContact CH2-CG2 3.83Å; W88-V293 HydrophobicContact CZ2-CG2 4.06Å; W88-V293 HydrophobicContact CZ3-CG2 3.56Å
89	K	95.2	Very high	90.1	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.043	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-35.6	178.9	-65.8	178.8	-170.3	179.1	0	112.6	H85 V87 F92 V93 D113 I114 F191 L219	H85-K89 WeakPolarHBondContact O-CG 3.22Å; H85-K89 PolarHBondContact O-N 2.81Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.86Å; K89-F92 PolarHBondContact O-N 3.4Å; K89-V93 PolarHBondContact O-N 3.45Å; K89-V93 VanDerWaalsContact O-N 3.1Å; K89-D113 WeakPolarHBondContact CD-OD2 3.31Å; K89-D113 WeakPolarHBondContact CE-OD2 3.36Å; K89-D113 IonicContact NZ-OD2 3.59Å; K89-D113 PolarHBondContact NZ-OD2 2.88Å; K89-I114 HydrophobicContact CB-CD1 3.91Å; K89-I114 HydrophobicContact CD-CD1 4.18Å; K89-I114 HydrophobicContact CG-CD1 3.87Å; K89-F191 HydrophobicContact CG-CE2 4.43Å; K89-L219 HydrophobicContact CG-CD2 4.2Å
90	D	95.8	Very high	91.4	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-63.9	-47	171.6	-77.7	-28.4	0	0	0	112	R86 V87 F92 V93 E94 R117	R86-D90 PolarHBondContact O-N 3.29Å; V87-D90 PolarHBondContact O-N 2.88Å; D90-F92 VanDerWaalsContact C-N 3.29Å; D90-F92 PolarHBondContact O-N 3.43Å; D90-V93 PolarHBondContact O-N 2.9Å; D90-E94 WeakPolarHBondContact O-CB 3.4Å; D90-E94 PolarHBondContact O-N 2.99Å; D90-R117 IonicContact OD1-CZ 3.75Å; D90-R117 IonicContact OD1-NH1 3.78Å; D90-R117 PolarHBondContact OD1-NH1 3.39Å; D90-R117 IonicContact OD2-NH1 3Å; D90-R117 PolarHBondContact OD2-NH1 2.91Å
91	V	97.1	Very high	92.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-40.9	176.7	171.9	0	0	0	0	110.3	V87 W88 V93 E94 R95 L288 I295	V87-V91 HydrophobicContact CG1-CG2 4.3Å; V87-V91 WeakPolarHBondContact O-CB 3.25Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.41Å; V87-V91 PolarHBondContact O-N 2.79Å; W88-V91 PolarHBondContact O-N 2.97Å; V91-V93 PolarHBondContact O-N 2.91Å; V91-E94 PolarHBondContact O-N 3.2Å; V91-R95 HydrophobicContact CG1-CG 4.14Å; V91-R95 WeakPolarHBondContact O-CB 3.42Å; V91-R95 VanDerWaalsContact O-CG 3.22Å; V91-R95 WeakPolarHBondContact O-CG 3.32Å; V91-R95 PolarHBondContact O-N 2.79Å; V91-L288 HydrophobicContact CG1-CD1 4.48Å; V91-L288 HydrophobicContact CG1-CD2 3.98Å; V91-I295 HydrophobicContact CG1-CD1 4.1Å
92	F	98.2	Very high	93.8	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-48.6	177.3	-179.5	-115.9	0	0	0	112.5	W88 K89 D90 R95 L96 I114 T188 A190 M217 L219 I295	W88-F92 WeakPolarHBondContact O-CB 3.4Å; W88-F92 PolarHBondContact O-N 2.81Å; K89-F92 PolarHBondContact O-N 3.4Å; D90-F92 VanDerWaalsContact C-N 3.29Å; D90-F92 PolarHBondContact O-N 3.43Å; F92-R95 PolarHBondContact O-N 3.26Å; F92-L96 PolarHBondContact O-N 3.22Å; F92-I114 HydrophobicContact CD1-CD1 3.89Å; F92-I114 HydrophobicContact CD1-CG2 4.38Å; F92-I114 HydrophobicContact CE1-CD1 4.37Å; F92-I114 HydrophobicContact CE1-CG2 4.18Å; F92-T188 HydrophobicContact CE1-CG2 3.8Å; F92-T188 HydrophobicContact CZ-CG2 3.82Å; F92-A190 HydrophobicContact CE1-CB 4.28Å; F92-M217 HydrophobicContact CD2-CE 3.9Å; F92-M217 HydrophobicContact CE2-CB 3.72Å; F92-M217 HydrophobicContact CE2-CE 3.89Å; F92-M217 HydrophobicContact CZ-CB 3.93Å; F92-L219 HydrophobicContact CB-CD1 4.35Å; F92-L219 HydrophobicContact CB-CD2 4.02Å; F92-L219 HydrophobicContact CD1-CB 4.32Å; F92-L219 HydrophobicContact CD1-CD2 4.49Å; F92-L219 HydrophobicContact CD2-CB 3.65Å; F92-L219 HydrophobicContact CD2-CD1 4.34Å; F92-L219 HydrophobicContact CD2-CG 4.43Å; F92-L219 HydrophobicContact CE1-CB 4.39Å; F92-L219 HydrophobicContact CE2-CB 3.71Å; F92-L219 HydrophobicContact CG-CB 3.94Å; F92-L219 HydrophobicContact CG-CD2 4.15Å; F92-L219 HydrophobicContact CG-CG 4.45Å; F92-L219 HydrophobicContact CZ-CB 4.09Å; F92-I295 HydrophobicContact CB-CD1 4.26Å; F92-I295 HydrophobicContact CD2-CD1 4.18Å; F92-I295 HydrophobicContact CD2-CG1 4.02Å; F92-I295 HydrophobicContact CD2-CG2 3.98Å; F92-I295 HydrophobicContact CE2-CG2 4.21Å
93	V	98	Very high	94.8	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-37.8	176	174.1	0	0	0	0	111.6	K89 D90 V91 R95 L96 G97 P98 I114 R117 Y121	K89-V93 PolarHBondContact O-N 3.45Å; K89-V93 VanDerWaalsContact O-N 3.1Å; D90-V93 PolarHBondContact O-N 2.9Å; V91-V93 PolarHBondContact O-N 2.91Å; V93-R95 VanDerWaalsContact C-N 3.28Å; V93-R95 PolarHBondContact O-N 3.44Å; V93-L96 WeakPolarHBondContact O-CB 3.41Å; V93-L96 PolarHBondContact O-N 3.45Å; V93-G97 PolarHBondContact O-N 3.49Å; V93-P98 HydrophobicContact CG1-CG 3.93Å; V93-P98 WeakPolarHBondContact O-CD 3.3Å; V93-I114 HydrophobicContact CG2-CG2 4.11Å; V93-R117 HydrophobicContact CB-CB 4.31Å; V93-R117 HydrophobicContact CG1-CB 4.39Å; V93-R117 HydrophobicContact CG2-CB 3.78Å; V93-Y121 HydrophobicContact CG1-CG 4.47Å
94	E	96.8	Very high	95.4	Very high	74 Å²	74	36.2 Å²	36.2	35%	0.346	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-39.4	174.1	-170.7	179.2	138.8	0	0	111.4	R14 D90 V91 G97	R14-E94 IonicContact CZ-OE2 3.32Å; R14-E94 IonicContact NH1-OE2 3.21Å; R14-E94 PolarHBondContact NH1-OE2 3.16Å; R14-E94 IonicContact NH2-OE2 3.56Å; D90-E94 WeakPolarHBondContact O-CB 3.4Å; D90-E94 PolarHBondContact O-N 2.99Å; V91-E94 PolarHBondContact O-N 3.2Å; E94-G97 PolarHBondContact O-N 3.1Å; E94-G97 VanDerWaalsContact O-N 3.15Å
95	R	97.5	Very high	95.9	Very high	59 Å²	59	33.1 Å²	33.1	22%	0.223	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-31.5	176.6	-71.5	-63.2	-176.4	-86.4	-7.9	113.3	H18 V91 F92 V93 G97 R215 M217 E286 I295	H18-R95 PolarHBondContact NE2-NH2 2.76Å; V91-R95 HydrophobicContact CG1-CG 4.14Å; V91-R95 WeakPolarHBondContact O-CB 3.42Å; V91-R95 VanDerWaalsContact O-CG 3.22Å; V91-R95 WeakPolarHBondContact O-CG 3.32Å; V91-R95 PolarHBondContact O-N 2.79Å; F92-R95 PolarHBondContact O-N 3.26Å; V93-R95 VanDerWaalsContact C-N 3.28Å; V93-R95 PolarHBondContact O-N 3.44Å; R95-G97 PolarHBondContact O-N 2.67Å; R95-R215 PolarHBondContact O-NH1 3.15Å; R95-R215 PolarHBondContact O-NH2 3.32Å; R95-M217 HydrophobicContact CB-CE 3.73Å; R95-E286 IonicContact CZ-OE1 3.28Å; R95-E286 IonicContact CZ-OE2 3.38Å; R95-E286 IonicContact NE-OE1 3.91Å; R95-E286 IonicContact NE-OE2 3.42Å; R95-E286 PolarHBondContact NE-OE2 2.75Å; R95-E286 IonicContact NH2-OE1 3.94Å; R95-E286 PolarHBondContact NH2-OE1 2.73Å; R95-E286 IonicContact NH2-OE2 3.89Å; R95-I295 HydrophobicContact CG-CD1 4.15Å
96	L	97.6	Very high	96.5	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-33.5	169.8	178.3	63.9	0	0	0	111	F92 V93 P98 M102 L104 Y118 A186 T188 M217	F92-L96 PolarHBondContact O-N 3.22Å; V93-L96 WeakPolarHBondContact O-CB 3.41Å; V93-L96 PolarHBondContact O-N 3.45Å; L96-P98 HydrophobicContact CD2-CG 4.24Å; L96-P98 HydrophobicContact CG-CG 4.4Å; L96-M102 HydrophobicContact CD1-CE 4.19Å; L96-M102 HydrophobicContact CG-CE 4.26Å; L96-L104 HydrophobicContact CD2-CD1 4.32Å; L96-L104 HydrophobicContact CD2-CD2 4.46Å; L96-Y118 HydrophobicContact CD2-CD2 3.95Å; L96-Y118 HydrophobicContact CD2-CE2 4.29Å; L96-A186 HydrophobicContact CD1-CB 4.04Å; L96-T188 HydrophobicContact CD1-CG2 4.36Å; L96-T188 HydrophobicContact CD2-CG2 3.93Å; L96-M217 WeakPolarHBondContact CA-SD 3.06Å; L96-M217 HydrophobicContact CB-CE 4.46Å; L96-M217 HydrophobicContact CB-SD 3.81Å; L96-M217 HydrophobicContact CD1-SD 3.76Å; L96-M217 HydrophobicContact CG-SD 4.42Å
97	G	96.2	Very high	96.9	Very high	32 Å²	32	27 Å²	27	33%	0.33	15%	0.145	S	C	.	.			trans	59.6	58.1	-177.7	0	0	0	0	0	113.4	V93 E94 R95 T99	V93-G97 PolarHBondContact O-N 3.49Å; E94-G97 PolarHBondContact O-N 3.1Å; E94-G97 VanDerWaalsContact O-N 3.15Å; R95-G97 PolarHBondContact O-N 2.67Å; G97-T99 PolarHBondContact O-N 2.98Å
98	P	96.3	Very high	97.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.153	C	C	.	.			trans	-54.4	133.3	-177.3	-26.2	33.6	0	0	0	113.3	V93 L96 Y118 Y121 L122	V93-P98 HydrophobicContact CG1-CG 3.93Å; V93-P98 WeakPolarHBondContact O-CD 3.3Å; L96-P98 HydrophobicContact CD2-CG 4.24Å; L96-P98 HydrophobicContact CG-CG 4.4Å; P98-Y118 HydrophobicContact CB-CD2 3.72Å; P98-Y118 HydrophobicContact CB-CE2 3.61Å; P98-Y118 HydrophobicContact CG-CD2 3.53Å; P98-Y118 HydrophobicContact CG-CE2 3.9Å; P98-Y118 HydrophobicContact CG-CG 4.48Å; P98-Y121 HydrophobicContact CB-CD1 3.79Å; P98-Y121 HydrophobicContact CB-CE1 4.34Å; P98-Y121 HydrophobicContact CG-CD1 3.83Å; P98-Y121 HydrophobicContact CG-CE1 4.38Å; P98-Y121 HydrophobicContact CG-CG 4.17Å; P98-L122 HydrophobicContact CB-CD2 3.62Å; P98-L122 HydrophobicContact CB-CG 3.92Å
99	T	95.5	Very high	97.1	Very high	86 Å²	86	27.6 Å²	27.6	53%	0.528	16%	0.155	S	C	.	.			trans	-129.1	150	172.7	61.5	0	0	0	0	110.4	G97 M102 L122	G97-T99 PolarHBondContact O-N 2.98Å; T99-M102 PolarHBondContact N-SD 3.37Å; T99-M102 WeakPolarHBondContact O-CB 3.46Å; T99-M102 VanDerWaalsContact O-CG 3.23Å; T99-M102 WeakPolarHBondContact O-CG 3.46Å; T99-M102 PolarHBondContact O-N 2.62Å; T99-L122 VanDerWaalsContact C-CD2 3.43Å
100	H	96.1	Very high	96.7	Very high	30 Å²	30	27.1 Å²	27.1	14%	0.139	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	139.3	176.6	-66.3	-72.5	0	0	0	111.8	L122 Q125 P126 N127 R131 S133	H100-L122 PolarHBondContact CE1-O 3.34Å; H100-L122 PolarHBondContact NE2-O 2.85Å; H100-Q125 PolarHBondContact NE2-O 3.23Å; H100-P126 PolarHBondContact CD2-O 2.97Å; H100-N127 HydrophobicContact CB-CB 4.34Å; H100-N127 WeakPolarHBondContact CD2-CB 3.36Å; H100-N127 VanDerWaalsContact CG-ND2 3.32Å; H100-N127 PolarHBondContact ND1-ND2 3.48Å; H100-R131 HydrophobicContact CB-CB 4.2Å; H100-S133 WeakPolarHBondContact CA-OG 3.09Å
101	G	96.4	Very high	96.5	Very high	33 Å²	33	25.1 Å²	25.1	34%	0.34	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-7.4	-173.3	0	0	0	0	0	114.1	P132 S133	G101-P132 WeakPolarHBondContact CA-O 3.46Å; G101-S133 PolarHBondContact N-OG 3.46Å
102	M	97.5	Very high	96.4	Very high	22 Å²	22	24.9 Å²	24.9	11%	0.108	14%	0.142	C	C	.	.			trans	-70.6	143	176.1	-76.8	175.6	71.1	0	0	112.2	L96 T99 Y118 S133 H134 T185 A186	L96-M102 HydrophobicContact CD1-CE 4.19Å; L96-M102 HydrophobicContact CG-CE 4.26Å; T99-M102 PolarHBondContact N-SD 3.37Å; T99-M102 WeakPolarHBondContact O-CB 3.46Å; T99-M102 VanDerWaalsContact O-CG 3.23Å; T99-M102 WeakPolarHBondContact O-CG 3.46Å; T99-M102 PolarHBondContact O-N 2.62Å; M102-Y118 WeakPolarHBondContact CB-OH 3.42Å; M102-Y118 HydrophobicContact CE-CE2 4.4Å; M102-S133 WeakPolarHBondContact O-CA 3.34Å; M102-H134 PolarHBondContact O-N 3.04Å; M102-T185 WeakPolarHBondContact CA-OG1 3.36Å; M102-A186 HydrophobicContact CE-CB 3.59Å
103	R	98.6	Very high	96.1	Very high	118 Å²	118	25.7 Å²	25.7	45%	0.445	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	100.4	168.6	-60.8	174.8	68.7	106.2	3.6	107.7	H134 S183 F184 T185 A186	R103-H134 CarbonylContact C-O 3.51Å; R103-H134 WeakPolarHBondContact CA-O 2.95Å; R103-H134 HydrophobicContact CG-CB 4.24Å; R103-S183 PolarHBondContact NE-O 2.83Å; R103-F184 HydrophobicContact CB-CD1 4.35Å; R103-F184 WeakPolarHBondContact O-CA 3.32Å; R103-F184 WeakPolarHBondContact O-CB 3.48Å; R103-T185 PolarHBondContact N-OG1 3.18Å; R103-T185 PolarHBondContact O-N 2.93Å; R103-T185 PolarHBondContact O-OG1 3.49Å; R103-A186 PolarHBondContact O-N 2.99Å
104	L	98.7	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.6	-177.2	175.5	63.4	0	0	0	110.6	L96 D106 Y118 H134 V135 T136 A186 T188	L96-L104 HydrophobicContact CD2-CD1 4.32Å; L96-L104 HydrophobicContact CD2-CD2 4.46Å; L104-D106 HydrophobicContact CD2-CB 4.47Å; L104-D106 HydrophobicContact CG-CB 4.49Å; L104-Y118 HydrophobicContact CB-CE2 4.26Å; L104-Y118 HydrophobicContact CD2-CD1 4.1Å; L104-Y118 HydrophobicContact CD2-CD2 3.56Å; L104-Y118 HydrophobicContact CD2-CE1 4.33Å; L104-Y118 HydrophobicContact CD2-CE2 3.79Å; L104-Y118 HydrophobicContact CD2-CG 3.71Å; L104-H134 PolarHBondContact N-O 3.19Å; L104-V135 HydrophobicContact CB-CG1 4.34Å; L104-V135 HydrophobicContact CB-CG2 4.33Å; L104-V135 HydrophobicContact CD2-CG1 4.13Å; L104-V135 HydrophobicContact CG-CG1 4.31Å; L104-V135 CarbonylContact O-C 3.49Å; L104-V135 WeakPolarHBondContact O-CA 3.37Å; L104-T136 PolarHBondContact O-N 2.98Å; L104-A186 WeakPolarHBondContact CA-O 3.36Å; L104-A186 HydrophobicContact CD1-CB 3.85Å; L104-T188 HydrophobicContact CD1-CG2 3.88Å
105	L	98.9	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.2	158.2	177.6	56.4	0	0	0	108.6	T136 L177 F179 F184 A186 Y187 T188 V209	L105-T136 HydrophobicContact CD1-CG2 3.99Å; L105-L177 HydrophobicContact CD2-CD1 3.91Å; L105-F179 HydrophobicContact CD1-CD2 4.42Å; L105-F179 HydrophobicContact CD1-CE2 3.7Å; L105-F179 HydrophobicContact CD1-CZ 4.2Å; L105-F179 HydrophobicContact CD2-CD2 3.89Å; L105-F179 HydrophobicContact CD2-CE2 3.9Å; L105-F184 HydrophobicContact CB-CB 4.45Å; L105-F184 HydrophobicContact CB-CD1 3.71Å; L105-F184 HydrophobicContact CB-CD2 3.97Å; L105-F184 HydrophobicContact CB-CE1 3.84Å; L105-F184 HydrophobicContact CB-CE2 4.08Å; L105-F184 HydrophobicContact CB-CG 3.77Å; L105-F184 HydrophobicContact CB-CZ 4.02Å; L105-F184 HydrophobicContact CD1-CZ 4.24Å; L105-F184 HydrophobicContact CD2-CD2 4.18Å; L105-F184 HydrophobicContact CD2-CE2 3.97Å; L105-F184 HydrophobicContact CD2-CZ 4.42Å; L105-F184 HydrophobicContact CG-CE2 4.45Å; L105-F184 HydrophobicContact CG-CZ 4.46Å; L105-A186 PolarHBondContact N-O 3Å; L105-Y187 HydrophobicContact CB-CD2 4.27Å; L105-Y187 HydrophobicContact CD2-CD2 3.7Å; L105-Y187 HydrophobicContact CD2-CE2 3.63Å; L105-Y187 HydrophobicContact CG-CD2 4.1Å; L105-Y187 HydrophobicContact CG-CE2 4.18Å; L105-Y187 WeakPolarHBondContact O-CA 3.38Å; L105-T188 PolarHBondContact O-N 3.33Å; L105-V209 HydrophobicContact CD2-CG2 4.07Å
106	D	98.7	Very high	96.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	88.8	174.8	-170	26.5	0	0	0	109	L104 G109 I114 T115 V135 T136 S138 T188	L104-D106 HydrophobicContact CD2-CB 4.47Å; L104-D106 HydrophobicContact CG-CB 4.49Å; D106-G109 PolarHBondContact O-N 3.49Å; D106-I114 WeakPolarHBondContact OD1-CG2 3.35Å; D106-I114 WeakPolarHBondContact OD2-CB 2.98Å; D106-T115 WeakPolarHBondContact CB-OG1 3.48Å; D106-T115 PolarHBondContact OD2-N 2.99Å; D106-T115 VanDerWaalsContact OD2-N 3.09Å; D106-T115 PolarHBondContact OD2-OG1 2.92Å; D106-V135 HydrophobicContact CB-CG1 4.47Å; D106-T136 PolarHBondContact N-O 3.13Å; D106-S138 PolarHBondContact O-N 2.98Å; D106-T188 WeakPolarHBondContact CA-OG1 3.46Å; D106-T188 PolarHBondContact OD1-OG1 3.21Å
107	M	98.6	Very high	96	Very high	4 Å²	4	21 Å²	21	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.2	-177.2	-166.9	68	-131.3	0	0	111.6	G109 S138 A172 A174 L177 Y187 T188 I189	M107-G109 PolarHBondContact O-N 3.35Å; M107-S138 CarbonylContact C-O 3.59Å; M107-A172 WeakPolarHBondContact CE-O 3.2Å; M107-A174 HydrophobicContact CE-CB 3.96Å; M107-A174 HydrophobicContact CG-CB 3.74Å; M107-A174 HydrophobicContact SD-CB 4.02Å; M107-L177 HydrophobicContact SD-CD2 3.73Å; M107-Y187 HydrophobicContact CB-CE1 3.92Å; M107-Y187 HydrophobicContact CB-CE2 4.11Å; M107-Y187 VanDerWaalsContact CB-CZ 3.5Å; M107-Y187 VanDerWaalsContact CB-OH 3.29Å; M107-Y187 WeakPolarHBondContact CB-OH 3.11Å; M107-Y187 VanDerWaalsContact CG-OH 3.23Å; M107-Y187 WeakPolarHBondContact CG-OH 2.83Å; M107-T188 PolarHBondContact N-O 3.35Å; M107-I189 HydrophobicContact CB-CB 4.37Å; M107-I189 HydrophobicContact CB-CD1 4.34Å; M107-I189 HydrophobicContact CG-CD1 4.16Å; M107-I189 WeakPolarHBondContact O-CA 3.44Å
108	A	95.7	Very high	96.1	Very high	31 Å²	31	19.5 Å²	19.5	26%	0.256	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	33	-162.8	0	0	0	0	0	111.1	G110 S138 D139 I189	A108-G110 PolarHBondContact O-N 3Å; A108-S138 WeakPolarHBondContact CA-O 3.4Å; A108-S138 PolarHBondContact N-O 3.17Å; A108-D139 WeakPolarHBondContact CA-OD2 3.06Å; A108-I189 HydrophobicContact CB-CD1 4.41Å; A108-I189 HydrophobicContact CB-CG1 4.22Å
109	G	95.4	Very high	96.1	Very high	9 Å²	9	19.8 Å²	19.8	9%	0.093	11%	0.111	C	C	.	.			trans	-70.8	-24.9	-177.3	0	0	0	0	0	112	D106 M107 T111 G112 S138	D106-G109 PolarHBondContact O-N 3.49Å; M107-G109 PolarHBondContact O-N 3.35Å; G109-T111 PolarHBondContact O-N 3.22Å; G109-G112 PolarHBondContact O-N 2.68Å; G109-S138 PolarHBondContact N-O 3.22Å
110	G	88	Confident	96.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	-106.8	170.1	0	0	0	0	0	113.6	A108 G112 D139 M144 W169	A108-G110 PolarHBondContact O-N 3Å; G110-G112 PolarHBondContact O-N 2.92Å; G110-D139 WeakPolarHBondContact CA-OD2 3.36Å; G110-D139 PolarHBondContact N-OD2 3.44Å; G110-M144 CarbonylContact C-O 3.59Å; G110-M144 VanDerWaalsContact C-O 3.29Å; G110-M144 VanDerWaalsContact O-O 3.09Å; G110-W169 WeakPolarHBondContact O-CZ3 3.43Å
111	T	91.2	Very high	96	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.055	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	4.8	-176.8	66.9	0	0	0	0	114.5	G109 F116 M144 V147 G148 R151	G109-T111 PolarHBondContact O-N 3.22Å; T111-F116 WeakPolarHBondContact O-CE2 3.45Å; T111-M144 HydrophobicContact CG2-CE 3.92Å; T111-M144 HydrophobicContact CG2-SD 4.1Å; T111-V147 HydrophobicContact CG2-CB 4.28Å; T111-V147 HydrophobicContact CG2-CG1 3.88Å; T111-G148 WeakPolarHBondContact O-CA 3.49Å; T111-R151 VanDerWaalsContact CB-NH1 3.25Å; T111-R151 WeakPolarHBondContact O-CD 3.42Å; T111-R151 PolarHBondContact O-NH1 3.46Å; T111-R151 PolarHBondContact OG1-NH1 2.78Å
112	G	93.8	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	11.2	170	0	0	0	0	0	116.5	G109 G110 I114 T115 F116	G109-G112 PolarHBondContact O-N 2.68Å; G110-G112 PolarHBondContact O-N 2.92Å; G112-I114 PolarHBondContact O-N 3.21Å; G112-T115 PolarHBondContact O-N 3.32Å; G112-F116 WeakPolarHBondContact O-CB 3.4Å; G112-F116 WeakPolarHBondContact O-CD1 3.49Å; G112-F116 WeakPolarHBondContact O-CD2 3.43Å; G112-F116 WeakPolarHBondContact O-CG 3.29Å; G112-F116 PolarHBondContact O-N 3.1Å
113	D	92.4	Very high	95.6	Very high	18 Å²	18	27.1 Å²	27.1	10%	0.096	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-48.5	-172.2	-168.5	1.1	0	0	0	113.1	K89 F116 R117	K89-D113 WeakPolarHBondContact CD-OD2 3.31Å; K89-D113 WeakPolarHBondContact CE-OD2 3.36Å; K89-D113 IonicContact NZ-OD2 3.59Å; K89-D113 PolarHBondContact NZ-OD2 2.88Å; D113-F116 PolarHBondContact O-N 2.8Å; D113-R117 WeakPolarHBondContact O-CG 3.12Å; D113-R117 PolarHBondContact O-N 3.08Å; D113-R117 VanDerWaalsContact O-N 3.16Å; D113-R117 IonicContact OD1-CZ 2.99Å; D113-R117 IonicContact OD1-NE 3.97Å; D113-R117 PolarHBondContact OD1-NE 3.18Å; D113-R117 IonicContact OD1-NH2 3.91Å; D113-R117 PolarHBondContact OD1-NH2 3.01Å; D113-R117 IonicContact OD2-NH2 2.8Å
114	I	96.9	Very high	95.3	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.046	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-48.4	176.6	-62.2	-51.1	0	0	0	110.3	K89 F92 V93 D106 G112 F116 R117 Y118 A190	K89-I114 HydrophobicContact CB-CD1 3.91Å; K89-I114 HydrophobicContact CD-CD1 4.18Å; K89-I114 HydrophobicContact CG-CD1 3.87Å; F92-I114 HydrophobicContact CD1-CD1 3.89Å; F92-I114 HydrophobicContact CD1-CG2 4.38Å; F92-I114 HydrophobicContact CE1-CD1 4.37Å; F92-I114 HydrophobicContact CE1-CG2 4.18Å; V93-I114 HydrophobicContact CG2-CG2 4.11Å; D106-I114 WeakPolarHBondContact OD1-CG2 3.35Å; D106-I114 WeakPolarHBondContact OD2-CB 2.98Å; G112-I114 PolarHBondContact O-N 3.21Å; I114-F116 VanDerWaalsContact C-N 3.35Å; I114-F116 PolarHBondContact O-N 3.23Å; I114-R117 PolarHBondContact O-N 3.44Å; I114-Y118 WeakPolarHBondContact O-CB 3.16Å; I114-Y118 PolarHBondContact O-N 3.31Å; I114-A190 HydrophobicContact CD1-CB 3.98Å; I114-A190 HydrophobicContact CG1-CB 3.69Å
115	T	97.8	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-53.1	-45.7	175	-71	0	0	0	0	113.2	D106 G112 R117 Y118 L119 V135 V137	D106-T115 WeakPolarHBondContact CB-OG1 3.48Å; D106-T115 PolarHBondContact OD2-N 2.99Å; D106-T115 VanDerWaalsContact OD2-N 3.09Å; D106-T115 PolarHBondContact OD2-OG1 2.92Å; G112-T115 PolarHBondContact O-N 3.32Å; T115-R117 PolarHBondContact O-N 3.36Å; T115-Y118 WeakPolarHBondContact O-CB 3.32Å; T115-Y118 PolarHBondContact O-N 3Å; T115-L119 HydrophobicContact CG2-CD1 3.87Å; T115-L119 HydrophobicContact CG2-CG 4.3Å; T115-L119 WeakPolarHBondContact O-CB 3.38Å; T115-L119 VanDerWaalsContact O-CG 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.38Å; T115-L119 PolarHBondContact O-N 3.44Å; T115-V135 HydrophobicContact CG2-CB 4.49Å; T115-V135 HydrophobicContact CG2-CG1 3.88Å; T115-V137 HydrophobicContact CG2-CG2 3.77Å; T115-V137 WeakPolarHBondContact OG1-CG2 3.43Å
116	F	96.9	Very high	94.7	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-35.4	-179.4	-57.7	-26.9	0	0	0	112.4	T111 G112 D113 I114 R120 G148 R151 A152 L155 L157 W169	T111-F116 WeakPolarHBondContact O-CE2 3.45Å; G112-F116 WeakPolarHBondContact O-CB 3.4Å; G112-F116 WeakPolarHBondContact O-CD1 3.49Å; G112-F116 WeakPolarHBondContact O-CD2 3.43Å; G112-F116 WeakPolarHBondContact O-CG 3.29Å; G112-F116 PolarHBondContact O-N 3.1Å; D113-F116 PolarHBondContact O-N 2.8Å; I114-F116 VanDerWaalsContact C-N 3.35Å; I114-F116 PolarHBondContact O-N 3.23Å; F116-R120 WeakPolarHBondContact O-CB 3.45Å; F116-R120 VanDerWaalsContact O-CG 3.25Å; F116-R120 WeakPolarHBondContact O-CG 3.16Å; F116-R120 PolarHBondContact O-N 3.34Å; F116-G148 WeakPolarHBondContact CZ-O 3.38Å; F116-R151 HydrophobicContact CE2-CB 3.69Å; F116-R151 HydrophobicContact CZ-CB 3.84Å; F116-A152 HydrophobicContact CE1-CB 3.71Å; F116-A152 HydrophobicContact CZ-CB 3.98Å; F116-L155 HydrophobicContact CD2-CD1 3.84Å; F116-L155 HydrophobicContact CE2-CD1 4.07Å; F116-L155 HydrophobicContact CG-CD1 4.24Å; F116-L157 HydrophobicContact CB-CD1 3.88Å; F116-L157 HydrophobicContact CD1-CB 4.46Å; F116-L157 HydrophobicContact CD1-CD1 3.6Å; F116-L157 HydrophobicContact CE1-CD1 4.42Å; F116-L157 HydrophobicContact CG-CD1 3.86Å; F116-W169 HydrophobicContact CE1-CH2 4.24Å; F116-W169 HydrophobicContact CE1-CZ2 4.38Å; F116-W169 HydrophobicContact CZ-CH2 4.17Å
117	R	96.7	Very high	94.5	Very high	32 Å²	32	37.5 Å²	37.5	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-44.1	172.4	-70.2	173	-163.6	-96.3	4.2	111.1	R86 D90 V93 D113 I114 T115 R120 Y121	R86-R117 PolarHBondContact O-NH1 2.97Å; D90-R117 IonicContact OD1-CZ 3.75Å; D90-R117 IonicContact OD1-NH1 3.78Å; D90-R117 PolarHBondContact OD1-NH1 3.39Å; D90-R117 IonicContact OD2-NH1 3Å; D90-R117 PolarHBondContact OD2-NH1 2.91Å; V93-R117 HydrophobicContact CB-CB 4.31Å; V93-R117 HydrophobicContact CG1-CB 4.39Å; V93-R117 HydrophobicContact CG2-CB 3.78Å; D113-R117 WeakPolarHBondContact O-CG 3.12Å; D113-R117 PolarHBondContact O-N 3.08Å; D113-R117 VanDerWaalsContact O-N 3.16Å; D113-R117 IonicContact OD1-CZ 2.99Å; D113-R117 IonicContact OD1-NE 3.97Å; D113-R117 PolarHBondContact OD1-NE 3.18Å; D113-R117 IonicContact OD1-NH2 3.91Å; D113-R117 PolarHBondContact OD1-NH2 3.01Å; D113-R117 IonicContact OD2-NH2 2.8Å; I114-R117 PolarHBondContact O-N 3.44Å; T115-R117 PolarHBondContact O-N 3.36Å; R117-R120 PolarHBondContact O-N 2.89Å; R117-Y121 WeakPolarHBondContact O-CB 3.47Å; R117-Y121 PolarHBondContact O-N 3.28Å
118	Y	97.5	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.7	-50.1	174.6	170.3	-88.9	0	0	0	111.7	L96 P98 M102 L104 I114 T115 R120 Y121 L122 V135	L96-Y118 HydrophobicContact CD2-CD2 3.95Å; L96-Y118 HydrophobicContact CD2-CE2 4.29Å; P98-Y118 HydrophobicContact CB-CD2 3.72Å; P98-Y118 HydrophobicContact CB-CE2 3.61Å; P98-Y118 HydrophobicContact CG-CD2 3.53Å; P98-Y118 HydrophobicContact CG-CE2 3.9Å; P98-Y118 HydrophobicContact CG-CG 4.48Å; M102-Y118 WeakPolarHBondContact CB-OH 3.42Å; M102-Y118 HydrophobicContact CE-CE2 4.4Å; L104-Y118 HydrophobicContact CB-CE2 4.26Å; L104-Y118 HydrophobicContact CD2-CD1 4.1Å; L104-Y118 HydrophobicContact CD2-CD2 3.56Å; L104-Y118 HydrophobicContact CD2-CE1 4.33Å; L104-Y118 HydrophobicContact CD2-CE2 3.79Å; L104-Y118 HydrophobicContact CD2-CG 3.71Å; I114-Y118 WeakPolarHBondContact O-CB 3.16Å; I114-Y118 PolarHBondContact O-N 3.31Å; T115-Y118 WeakPolarHBondContact O-CB 3.32Å; T115-Y118 PolarHBondContact O-N 3Å; Y118-R120 PolarHBondContact O-N 2.99Å; Y118-Y121 WeakPolarHBondContact O-CB 3.46Å; Y118-Y121 PolarHBondContact O-N 3.31Å; Y118-L122 HydrophobicContact CD1-CD1 4.06Å; Y118-L122 HydrophobicContact CE1-CD1 3.28Å; Y118-L122 HydrophobicContact CE1-CG 4.09Å; Y118-L122 HydrophobicContact CE2-CD1 4.27Å; Y118-L122 HydrophobicContact CE2-CG 4.48Å; Y118-L122 VanDerWaalsContact CZ-CD1 3.43Å; Y118-L122 PolarHBondContact O-N 2.96Å; Y118-V135 HydrophobicContact CD1-CG2 3.47Å; Y118-V135 VanDerWaalsContact CD1-CG2 3.47Å; Y118-V135 HydrophobicContact CE1-CG2 3.15Å
119	L	96.7	Very high	94.2	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-43.4	-179.9	-70	172.1	0	0	0	112.1	T115 Y121 L122 N123 V135 L157 L162 C165 V167	T115-L119 HydrophobicContact CG2-CD1 3.87Å; T115-L119 HydrophobicContact CG2-CG 4.3Å; T115-L119 WeakPolarHBondContact O-CB 3.38Å; T115-L119 VanDerWaalsContact O-CG 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.38Å; T115-L119 PolarHBondContact O-N 3.44Å; L119-Y121 VanDerWaalsContact C-N 3.33Å; L119-Y121 PolarHBondContact O-N 2.87Å; L119-L122 PolarHBondContact O-N 3.01Å; L119-N123 WeakPolarHBondContact O-CB 3.34Å; L119-N123 PolarHBondContact O-N 3.48Å; L119-V135 HydrophobicContact CD2-CG2 4.22Å; L119-L157 HydrophobicContact CB-CD2 4.33Å; L119-L157 HydrophobicContact CD1-CB 4.12Å; L119-L157 HydrophobicContact CD1-CD2 4.46Å; L119-L162 HydrophobicContact CD1-CD1 4.1Å; L119-L162 HydrophobicContact CD2-CD1 3.97Å; L119-C165 HydrophobicContact CD2-CB 4.12Å; L119-C165 WeakPolarHBondContact CD2-SG 3.25Å; L119-V167 HydrophobicContact CD1-CG2 3.9Å; L119-V167 HydrophobicContact CD2-CG2 4.28Å
120	R	94.6	Very high	94.1	Very high	124 Å²	124	51.6 Å²	51.6	47%	0.468	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-39.2	174.9	-73.3	173.9	-172.6	149.8	3.9	112	F116 R117 Y118 N123 N124	F116-R120 WeakPolarHBondContact O-CB 3.45Å; F116-R120 VanDerWaalsContact O-CG 3.25Å; F116-R120 WeakPolarHBondContact O-CG 3.16Å; F116-R120 PolarHBondContact O-N 3.34Å; R117-R120 PolarHBondContact O-N 2.89Å; Y118-R120 PolarHBondContact O-N 2.99Å; R120-N123 PolarHBondContact O-N 2.77Å; R120-N124 PolarHBondContact O-N 3.25Å; R120-N124 PolarHBondContact O-ND2 3.09Å; R120-N124 VanDerWaalsContact O-ND2 3.07Å
121	Y	95.1	Very high	94.4	Very high	75 Å²	75	58.1 Å²	58.1	29%	0.294	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-49.7	176	-168.8	-77.3	0	0	0	110.4	V93 P98 R117 Y118 L119 N123 N124 Q125	V93-Y121 HydrophobicContact CG1-CG 4.47Å; P98-Y121 HydrophobicContact CB-CD1 3.79Å; P98-Y121 HydrophobicContact CB-CE1 4.34Å; P98-Y121 HydrophobicContact CG-CD1 3.83Å; P98-Y121 HydrophobicContact CG-CE1 4.38Å; P98-Y121 HydrophobicContact CG-CG 4.17Å; R117-Y121 WeakPolarHBondContact O-CB 3.47Å; R117-Y121 PolarHBondContact O-N 3.28Å; Y118-Y121 WeakPolarHBondContact O-CB 3.46Å; Y118-Y121 PolarHBondContact O-N 3.31Å; L119-Y121 VanDerWaalsContact C-N 3.33Å; L119-Y121 PolarHBondContact O-N 2.87Å; Y121-N123 PolarHBondContact O-N 3.46Å; Y121-N124 PolarHBondContact O-N 2.76Å; Y121-Q125 HydrophobicContact CD1-CG 4.2Å; Y121-Q125 HydrophobicContact CE1-CG 4.07Å; Y121-Q125 WeakPolarHBondContact O-CG 3.45Å
122	L	94.2	Very high	94.6	Very high	5 Å²	5	62.5 Å²	62.5	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-41.8	176.8	-78	-173.9	0	0	0	112.9	P98 T99 H100 Y118 L119 N124 Q125	P98-L122 HydrophobicContact CB-CD2 3.62Å; P98-L122 HydrophobicContact CB-CG 3.92Å; T99-L122 VanDerWaalsContact C-CD2 3.43Å; H100-L122 PolarHBondContact CE1-O 3.34Å; H100-L122 PolarHBondContact NE2-O 2.85Å; Y118-L122 HydrophobicContact CD1-CD1 4.06Å; Y118-L122 HydrophobicContact CE1-CD1 3.28Å; Y118-L122 HydrophobicContact CE1-CG 4.09Å; Y118-L122 HydrophobicContact CE2-CD1 4.27Å; Y118-L122 HydrophobicContact CE2-CG 4.48Å; Y118-L122 VanDerWaalsContact CZ-CD1 3.43Å; Y118-L122 PolarHBondContact O-N 2.96Å; L119-L122 PolarHBondContact O-N 3.01Å; L122-N124 PolarHBondContact O-N 2.77Å; L122-Q125 WeakPolarHBondContact O-CB 3.21Å; L122-Q125 PolarHBondContact O-N 3.43Å
123	N	91.5	Very high	94.8	Very high	121 Å²	121	62.7 Å²	62.7	65%	0.647	31%	0.314	S	S	*	.	H	α-helix	trans	-64.6	-23.2	-179.4	-165.3	50.3	0	0	0	113	L119 R120 Y121 Q125	L119-N123 WeakPolarHBondContact O-CB 3.34Å; L119-N123 PolarHBondContact O-N 3.48Å; R120-N123 PolarHBondContact O-N 2.77Å; Y121-N123 PolarHBondContact O-N 3.46Å; N123-Q125 VanDerWaalsContact C-N 3.33Å
124	N	91.9	Very high	95.1	Very high	134 Å²	134	63.5 Å²	63.5	72%	0.717	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.1	175	-67.4	-34.7	0	0	0	113.3	R120 Y121 L122	R120-N124 PolarHBondContact O-N 3.25Å; R120-N124 PolarHBondContact O-ND2 3.09Å; R120-N124 VanDerWaalsContact O-ND2 3.07Å; Y121-N124 PolarHBondContact O-N 2.76Å; L122-N124 PolarHBondContact O-N 2.77Å
125	Q	92.1	Very high	95.1	Very high	77 Å²	77	63.1 Å²	63.1	36%	0.36	32%	0.315	S	S	.	.	S	Bend	trans	-101.2	140	178.7	-66.7	-71.6	-9.4	0	0	110.9	H100 Y121 L122 N123 N127	H100-Q125 PolarHBondContact NE2-O 3.23Å; Y121-Q125 HydrophobicContact CD1-CG 4.2Å; Y121-Q125 HydrophobicContact CE1-CG 4.07Å; Y121-Q125 WeakPolarHBondContact O-CG 3.45Å; L122-Q125 WeakPolarHBondContact O-CB 3.21Å; L122-Q125 PolarHBondContact O-N 3.43Å; N123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-N127 PolarHBondContact O-N 3.15Å
126	P	93.5	Very high	95.2	Very high	104 Å²	104	63.5 Å²	63.5	68%	0.675	32%	0.317	S	S	*	.			trans	-63.9	136.7	174.1	28.4	-34.2	0	0	0	110.8	H100 P128	H100-P126 PolarHBondContact CD2-O 2.97Å; P126-P128 VanDerWaalsContact C-CD 3.42Å; P126-P128 WeakPolarHBondContact O-CD 3.46Å
127	N	94.6	Very high	95.3	Very high	22 Å²	22	63.2 Å²	63.2	12%	0.118	32%	0.316	C	S	.	.			trans	-122.4	62.8	174.8	-163.3	-0.2	0	0	0	111.8	H100 Q125 Q129 Q130 R131	H100-N127 HydrophobicContact CB-CB 4.34Å; H100-N127 WeakPolarHBondContact CD2-CB 3.36Å; H100-N127 VanDerWaalsContact CG-ND2 3.32Å; H100-N127 PolarHBondContact ND1-ND2 3.48Å; Q125-N127 PolarHBondContact O-N 3.15Å; N127-Q129 PolarHBondContact O-N 2.88Å; N127-Q130 PolarHBondContact O-N 2.99Å; N127-Q130 WeakPolarHBondContact OD1-CA 3.48Å; N127-Q130 PolarHBondContact OD1-N 3.4Å; N127-R131 PolarHBondContact ND2-N 2.87Å; N127-R131 PolarHBondContact ND2-O 3.43Å; N127-R131 VanDerWaalsContact ND2-O 3.09Å; N127-R131 PolarHBondContact OD1-N 2.95Å
128	P	94	Very high	95.3	Very high	98 Å²	98	61.7 Å²	61.7	64%	0.636	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.8	-173.8	22.6	-28.1	0	0	0	112.8	P126 Q130	P126-P128 VanDerWaalsContact C-CD 3.42Å; P126-P128 WeakPolarHBondContact O-CD 3.46Å; P128-Q130 VanDerWaalsContact C-N 3.33Å
129	Q	93	Very high	95.3	Very high	126 Å²	126	62.5 Å²	62.5	59%	0.589	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	3.7	176.1	-59	84.3	7.5	0	0	113.9	N127 R131	N127-Q129 PolarHBondContact O-N 2.88Å; Q129-R131 HydrophobicContact CB-CG 4.02Å; Q129-R131 PolarHBondContact O-N 2.84Å; Q129-R131 VanDerWaalsContact O-N 3.13Å
130	Q	93.1	Very high	95.2	Very high	116 Å²	116	64.8 Å²	64.8	54%	0.542	33%	0.327	S	S	.	.			trans	48.8	41	-179.9	-55.2	-66.2	-9.7	0	0	112.9	N127 P128 P132 N164	N127-Q130 PolarHBondContact O-N 2.99Å; N127-Q130 WeakPolarHBondContact OD1-CA 3.48Å; N127-Q130 PolarHBondContact OD1-N 3.4Å; P128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-P132 WeakPolarHBondContact O-CD 3.5Å; Q130-N164 PolarHBondContact OE1-ND2 3.41Å
131	R	95.1	Very high	95	Very high	139 Å²	139	59 Å²	59	53%	0.525	31%	0.305	S	S	.	.			trans	-68.5	123.2	-178.4	-67.1	179.5	-176.1	-179.3	0.6	109.1	H100 N127 Q129	H100-R131 HydrophobicContact CB-CB 4.2Å; N127-R131 PolarHBondContact ND2-N 2.87Å; N127-R131 PolarHBondContact ND2-O 3.43Å; N127-R131 VanDerWaalsContact ND2-O 3.09Å; N127-R131 PolarHBondContact OD1-N 2.95Å; Q129-R131 HydrophobicContact CB-CG 4.02Å; Q129-R131 PolarHBondContact O-N 2.84Å; Q129-R131 VanDerWaalsContact O-N 3.13Å
132	P	95.6	Very high	94.9	Very high	101 Å²	101	59.6 Å²	59.6	66%	0.656	31%	0.311	S	S	*	.			trans	-71.9	132.5	179.3	29.3	-33.9	0	0	0	109.8	G101 Q130	G101-P132 WeakPolarHBondContact CA-O 3.46Å; Q130-P132 WeakPolarHBondContact O-CD 3.5Å
133	S	97.3	Very high	94.7	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	159.5	174	-51.8	0	0	0	0	110.4	H100 G101 M102 N164 C165 T166	H100-S133 WeakPolarHBondContact CA-OG 3.09Å; G101-S133 PolarHBondContact N-OG 3.46Å; M102-S133 WeakPolarHBondContact O-CA 3.34Å; S133-N164 PolarHBondContact N-O 3.06Å; S133-C165 WeakPolarHBondContact O-CA 3.2Å; S133-T166 PolarHBondContact O-N 3.47Å; S133-T166 PolarHBondContact O-OG1 2.9Å
134	H	98.2	Very high	94.6	Very high	36 Å²	36	57.2 Å²	57.2	17%	0.167	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.9	175.7	-176.1	70.4	0	0	0	110.2	M102 R103 L104 T136 T166	M102-H134 PolarHBondContact O-N 3.04Å; R103-H134 CarbonylContact C-O 3.51Å; R103-H134 WeakPolarHBondContact CA-O 2.95Å; R103-H134 HydrophobicContact CG-CB 4.24Å; L104-H134 PolarHBondContact N-O 3.19Å; H134-T136 PolarHBondContact CD2-OG1 3.38Å; H134-T136 PolarHBondContact NE2-OG1 3.48Å; H134-T166 WeakPolarHBondContact CA-O 3.45Å; H134-T166 PolarHBondContact ND1-OG1 2.9Å
135	V	98.4	Very high	94.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.6	168.1	-172	0	0	0	0	108.6	L104 D106 T115 Y118 L119 V137 T166 V167 A168	L104-V135 HydrophobicContact CB-CG1 4.34Å; L104-V135 HydrophobicContact CB-CG2 4.33Å; L104-V135 HydrophobicContact CD2-CG1 4.13Å; L104-V135 HydrophobicContact CG-CG1 4.31Å; L104-V135 CarbonylContact O-C 3.49Å; L104-V135 WeakPolarHBondContact O-CA 3.37Å; D106-V135 HydrophobicContact CB-CG1 4.47Å; T115-V135 HydrophobicContact CG2-CB 4.49Å; T115-V135 HydrophobicContact CG2-CG1 3.88Å; Y118-V135 HydrophobicContact CD1-CG2 3.47Å; Y118-V135 VanDerWaalsContact CD1-CG2 3.47Å; Y118-V135 HydrophobicContact CE1-CG2 3.15Å; L119-V135 HydrophobicContact CD2-CG2 4.22Å; V135-V137 HydrophobicContact CG1-CG2 4.3Å; V135-T166 PolarHBondContact N-O 3.12Å; V135-V167 CarbonylContact O-C 3.59Å; V135-V167 WeakPolarHBondContact O-CA 3.29Å; V135-A168 PolarHBondContact O-N 3.24Å
136	T	98.6	Very high	94.8	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.3	163.3	-57	0	0	0	0	108.1	L104 L105 D106 H134 A168 Q170 F179 F184	L104-T136 PolarHBondContact O-N 2.98Å; L105-T136 HydrophobicContact CD1-CG2 3.99Å; D106-T136 PolarHBondContact N-O 3.13Å; H134-T136 PolarHBondContact CD2-OG1 3.38Å; H134-T136 PolarHBondContact NE2-OG1 3.48Å; T136-A168 CarbonylContact C-O 3.54Å; T136-A168 WeakPolarHBondContact CA-O 3.22Å; T136-Q170 HydrophobicContact CG2-CB 4.03Å; T136-F179 HydrophobicContact CG2-CE1 4.07Å; T136-F179 HydrophobicContact CG2-CZ 3.69Å; T136-F184 WeakPolarHBondContact OG1-CE1 3.34Å
137	V	98.6	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.7	169.5	-162.7	0	0	0	0	107.5	T115 V135 L145 V167 A168 W169 Q170	T115-V137 HydrophobicContact CG2-CG2 3.77Å; T115-V137 WeakPolarHBondContact OG1-CG2 3.43Å; V135-V137 HydrophobicContact CG1-CG2 4.3Å; V137-L145 HydrophobicContact CG1-CD2 4.32Å; V137-V167 HydrophobicContact CG2-CG1 4.2Å; V137-A168 PolarHBondContact N-O 2.71Å; V137-W169 HydrophobicContact CB-CD2 4.13Å; V137-W169 HydrophobicContact CB-CE3 3.63Å; V137-W169 HydrophobicContact CB-CH2 4.34Å; V137-W169 HydrophobicContact CB-CZ3 3.75Å; V137-W169 HydrophobicContact CG1-CE3 3.85Å; V137-W169 HydrophobicContact CG1-CH2 4.29Å; V137-W169 HydrophobicContact CG1-CZ3 3.57Å; V137-W169 HydrophobicContact CG2-CD2 4.22Å; V137-W169 HydrophobicContact CG2-CE3 4.02Å; V137-W169 HydrophobicContact CG2-CH2 3.97Å; V137-W169 HydrophobicContact CG2-CZ2 4.17Å; V137-W169 HydrophobicContact CG2-CZ3 3.9Å; V137-W169 WeakPolarHBondContact O-CA 3.4Å; V137-Q170 PolarHBondContact O-N 2.83Å
138	S	98.3	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.4	-177.5	-165.5	0	0	0	0	112.3	D106 M107 A108 G109 Q170 A172	D106-S138 PolarHBondContact O-N 2.98Å; M107-S138 CarbonylContact C-O 3.59Å; A108-S138 WeakPolarHBondContact CA-O 3.4Å; A108-S138 PolarHBondContact N-O 3.17Å; G109-S138 PolarHBondContact N-O 3.22Å; S138-Q170 WeakPolarHBondContact CA-O 3.33Å; S138-Q170 WeakPolarHBondContact CB-O 3.22Å; S138-Q170 PolarHBondContact OG-O 3.3Å; S138-A172 WeakPolarHBondContact OG-CB 3.36Å
139	D	96.6	Very high	94.8	Very high	17 Å²	17	44.4 Å²	44.4	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.9	-179.9	-156.5	-68.7	0	0	0	108.7	A108 G110 N141 L145 Q170 C171 A172	A108-D139 WeakPolarHBondContact CA-OD2 3.06Å; G110-D139 WeakPolarHBondContact CA-OD2 3.36Å; G110-D139 PolarHBondContact N-OD2 3.44Å; D139-N141 VanDerWaalsContact C-N 3.27Å; D139-N141 WeakPolarHBondContact OD1-CB 3.4Å; D139-N141 PolarHBondContact OD1-N 3.22Å; D139-L145 HydrophobicContact CB-CD1 4.32Å; D139-L145 HydrophobicContact CB-CD2 3.71Å; D139-L145 HydrophobicContact CB-CG 3.84Å; D139-Q170 PolarHBondContact N-O 2.74Å; D139-C171 CarbonylContact O-C 3.44Å; D139-C171 VanDerWaalsContact O-CA 3.22Å; D139-C171 WeakPolarHBondContact O-CA 3.22Å; D139-A172 CarbonylContact C-O 3.58Å; D139-A172 PolarHBondContact O-N 3.23Å
140	I	94.4	Very high	94.9	Very high	55 Å²	55	44.3 Å²	44.3	28%	0.282	22%	0.217	S	C	.	.	S	Bend	trans	-76.8	-21.2	174.8	-161.1	168.7	0	0	0	111.4	E59 C171 A172 D173	E59-I140 HydrophobicContact CG-CD1 3.77Å; E59-I140 WeakPolarHBondContact OE1-CD1 3.39Å; I140-C171 PolarHBondContact O-SG 3.4Å; I140-C171 VanDerWaalsContact O-SG 3.4Å; I140-A172 WeakPolarHBondContact CA-O 3.39Å; I140-A172 PolarHBondContact N-O 2.79Å; I140-D173 HydrophobicContact CD1-CB 4.11Å
141	N	90.9	Very high	94.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	20%	0.201	C	C	.	.			trans	-99.7	109.8	-178.5	-171.8	-36.8	0	0	0	111.1	D139 H143 M144 L145	D139-N141 VanDerWaalsContact C-N 3.27Å; D139-N141 WeakPolarHBondContact OD1-CB 3.4Å; D139-N141 PolarHBondContact OD1-N 3.22Å; N141-H143 VanDerWaalsContact C-N 3.29Å; N141-H143 PolarHBondContact O-N 3.16Å; N141-H143 WeakPolarHBondContact OD1-CA 3.5Å; N141-H143 VanDerWaalsContact OD1-CB 3.24Å; N141-H143 WeakPolarHBondContact OD1-CB 3.27Å; N141-H143 PolarHBondContact OD1-N 2.82Å; N141-M144 HydrophobicContact CB-CB 4.21Å; N141-M144 HydrophobicContact CB-CG 3.82Å; N141-M144 WeakPolarHBondContact O-CB 3.41Å; N141-M144 PolarHBondContact O-N 2.79Å; N141-M144 VanDerWaalsContact O-N 3.17Å; N141-M144 PolarHBondContact OD1-N 2.63Å; N141-L145 PolarHBondContact O-N 3.41Å
142	Q	92.2	Very high	95	Very high	87 Å²	87	35 Å²	35	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-61.7	-33.5	178.4	-173.6	61.4	58.8	0	0	113.1	M144 L145 N146 C171	Q142-M144 VanDerWaalsContact C-N 3.3Å; Q142-M144 PolarHBondContact O-N 3.07Å; Q142-L145 PolarHBondContact O-N 3.18Å; Q142-N146 PolarHBondContact NE2-OD1 2.91Å; Q142-N146 PolarHBondContact O-N 3.04Å; Q142-N146 PolarHBondContact O-OD1 2.91Å; Q142-C171 VanDerWaalsContact OE1-CB 3.3Å
143	H	89.7	Confident	95	Very high	65 Å²	65	35.6 Å²	35.6	30%	0.301	17%	0.169	S	C	.	.	H	α-helix	trans	-62.9	-39.4	177.3	-178.6	-84.5	0	0	0	111.1	N141 L145 N146 V147	N141-H143 VanDerWaalsContact C-N 3.29Å; N141-H143 PolarHBondContact O-N 3.16Å; N141-H143 WeakPolarHBondContact OD1-CA 3.5Å; N141-H143 VanDerWaalsContact OD1-CB 3.24Å; N141-H143 WeakPolarHBondContact OD1-CB 3.27Å; N141-H143 PolarHBondContact OD1-N 2.82Å; H143-L145 VanDerWaalsContact C-N 3.35Å; H143-L145 PolarHBondContact O-N 3.23Å; H143-N146 PolarHBondContact O-N 2.63Å; H143-V147 WeakPolarHBondContact O-CG2 3.43Å; H143-V147 PolarHBondContact O-N 3.41Å; H143-V147 VanDerWaalsContact O-N 3.11Å
144	M	90.4	Very high	94.9	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-43	175.3	-67.4	-74.6	-75.5	0	0	111.7	A70 G110 T111 N141 Q142 V147 G148	A70-M144 HydrophobicContact CB-SD 3.48Å; A70-M144 WeakPolarHBondContact CB-SD 3.17Å; G110-M144 CarbonylContact C-O 3.59Å; G110-M144 VanDerWaalsContact C-O 3.29Å; G110-M144 VanDerWaalsContact O-O 3.09Å; T111-M144 HydrophobicContact CG2-CE 3.92Å; T111-M144 HydrophobicContact CG2-SD 4.1Å; N141-M144 HydrophobicContact CB-CB 4.21Å; N141-M144 HydrophobicContact CB-CG 3.82Å; N141-M144 WeakPolarHBondContact O-CB 3.41Å; N141-M144 PolarHBondContact O-N 2.79Å; N141-M144 VanDerWaalsContact O-N 3.17Å; N141-M144 PolarHBondContact OD1-N 2.63Å; Q142-M144 VanDerWaalsContact C-N 3.3Å; Q142-M144 PolarHBondContact O-N 3.07Å; M144-V147 PolarHBondContact O-N 3.12Å; M144-G148 PolarHBondContact O-N 2.81Å
145	L	94.2	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-41.2	176.5	-64.9	173.3	0	0	0	112.1	V137 D139 N141 Q142 H143 V147 G148 E149 W169 C171	V137-L145 HydrophobicContact CG1-CD2 4.32Å; D139-L145 HydrophobicContact CB-CD1 4.32Å; D139-L145 HydrophobicContact CB-CD2 3.71Å; D139-L145 HydrophobicContact CB-CG 3.84Å; N141-L145 PolarHBondContact O-N 3.41Å; Q142-L145 PolarHBondContact O-N 3.18Å; H143-L145 VanDerWaalsContact C-N 3.35Å; H143-L145 PolarHBondContact O-N 3.23Å; L145-V147 VanDerWaalsContact C-N 3.34Å; L145-V147 PolarHBondContact O-N 3.48Å; L145-G148 CarbonylContact O-C 3.57Å; L145-G148 WeakPolarHBondContact O-CA 3.28Å; L145-G148 PolarHBondContact O-N 3.4Å; L145-G148 VanDerWaalsContact O-N 3.1Å; L145-E149 PolarHBondContact O-N 3.25Å; L145-W169 HydrophobicContact CB-CE3 4.39Å; L145-W169 HydrophobicContact CD2-CE3 3.88Å; L145-C171 HydrophobicContact CD1-CB 3.94Å
146	N	94.1	Very high	94.6	Very high	73 Å²	73	49.3 Å²	49.3	39%	0.39	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-46.4	177.7	-66.3	-10.3	0	0	0	111	Q142 H143 G148 E149 E150	Q142-N146 PolarHBondContact NE2-OD1 2.91Å; Q142-N146 PolarHBondContact O-N 3.04Å; Q142-N146 PolarHBondContact O-OD1 2.91Å; H143-N146 PolarHBondContact O-N 2.63Å; N146-G148 VanDerWaalsContact C-N 3.29Å; N146-G148 PolarHBondContact O-N 3.29Å; N146-E149 PolarHBondContact O-N 2.86Å; N146-E150 WeakPolarHBondContact O-CG 3.41Å; N146-E150 PolarHBondContact O-N 3.49Å
147	V	90.9	Very high	94.4	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.158	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-42.4	174.3	173	0	0	0	0	110.7	T111 H143 M144 L145 R151	T111-V147 HydrophobicContact CG2-CB 4.28Å; T111-V147 HydrophobicContact CG2-CG1 3.88Å; H143-V147 WeakPolarHBondContact O-CG2 3.43Å; H143-V147 PolarHBondContact O-N 3.41Å; H143-V147 VanDerWaalsContact O-N 3.11Å; M144-V147 PolarHBondContact O-N 3.12Å; L145-V147 VanDerWaalsContact C-N 3.34Å; L145-V147 PolarHBondContact O-N 3.48Å; V147-R151 VanDerWaalsContact O-CG 3.23Å; V147-R151 WeakPolarHBondContact O-CG 3.41Å; V147-R151 PolarHBondContact O-N 3.37Å
148	G	94.2	Very high	94.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-46.7	175.5	0	0	0	0	0	113.1	T111 F116 M144 L145 N146 E150 R151 A152 W169	T111-G148 WeakPolarHBondContact O-CA 3.49Å; F116-G148 WeakPolarHBondContact CZ-O 3.38Å; M144-G148 PolarHBondContact O-N 2.81Å; L145-G148 CarbonylContact O-C 3.57Å; L145-G148 WeakPolarHBondContact O-CA 3.28Å; L145-G148 PolarHBondContact O-N 3.4Å; L145-G148 VanDerWaalsContact O-N 3.1Å; N146-G148 VanDerWaalsContact C-N 3.29Å; N146-G148 PolarHBondContact O-N 3.29Å; G148-E150 PolarHBondContact O-N 3.15Å; G148-R151 WeakPolarHBondContact O-CB 3.26Å; G148-R151 PolarHBondContact O-N 3.44Å; G148-A152 PolarHBondContact O-N 3.12Å; G148-W169 WeakPolarHBondContact O-CH2 3.47Å
149	E	96.1	Very high	93.9	Very high	68 Å²	68	53.8 Å²	53.8	32%	0.318	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-41.5	-179.8	-164.1	-170.5	146.3	0	0	111.8	L145 N146 R151 A152 K153 W169	L145-E149 PolarHBondContact O-N 3.25Å; N146-E149 PolarHBondContact O-N 2.86Å; E149-R151 VanDerWaalsContact C-N 3.35Å; E149-R151 PolarHBondContact O-N 3.1Å; E149-A152 WeakPolarHBondContact O-CB 3.29Å; E149-A152 PolarHBondContact O-N 3.34Å; E149-K153 WeakPolarHBondContact O-CG 3.34Å; E149-K153 PolarHBondContact O-N 3.2Å; E149-K153 WeakPolarHBondContact OE1-CE 3.43Å; E149-K153 IonicContact OE1-NZ 2.63Å; E149-K153 PolarHBondContact OE1-NZ 3.44Å; E149-W169 HydrophobicContact CB-CD2 4.21Å; E149-W169 HydrophobicContact CB-CG 4.44Å; E149-W169 HydrophobicContact CG-CG 4.46Å
150	E	95.3	Very high	93.7	Very high	124 Å²	124	60.3 Å²	60.3	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-41.5	173.8	-73.4	-176	176.8	0	0	112.3	N146 G148 A152 K153 R154	N146-E150 WeakPolarHBondContact O-CG 3.41Å; N146-E150 PolarHBondContact O-N 3.49Å; G148-E150 PolarHBondContact O-N 3.15Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-K153 PolarHBondContact O-N 3.42Å; E150-R154 WeakPolarHBondContact O-CG 3.29Å; E150-R154 PolarHBondContact O-N 3.37Å
151	R	94.6	Very high	93.5	Very high	59 Å²	59	63 Å²	63	22%	0.223	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-41.6	174.1	-71.8	172.7	72.6	177	25.1	111.3	D74 T111 F116 V147 G148 E149 R154 L155	D74-R151 IonicContact OD2-CZ 3.53Å; D74-R151 VanDerWaalsContact OD2-CZ 3.29Å; D74-R151 IonicContact OD2-NH1 2.75Å; D74-R151 PolarHBondContact OD2-NH1 3.19Å; D74-R151 IonicContact OD2-NH2 3.6Å; D74-R151 PolarHBondContact OD2-NH2 3.45Å; T111-R151 VanDerWaalsContact CB-NH1 3.25Å; T111-R151 WeakPolarHBondContact O-CD 3.42Å; T111-R151 PolarHBondContact O-NH1 3.46Å; T111-R151 PolarHBondContact OG1-NH1 2.78Å; F116-R151 HydrophobicContact CE2-CB 3.69Å; F116-R151 HydrophobicContact CZ-CB 3.84Å; V147-R151 VanDerWaalsContact O-CG 3.23Å; V147-R151 WeakPolarHBondContact O-CG 3.41Å; V147-R151 PolarHBondContact O-N 3.37Å; G148-R151 WeakPolarHBondContact O-CB 3.26Å; G148-R151 PolarHBondContact O-N 3.44Å; E149-R151 VanDerWaalsContact C-N 3.35Å; E149-R151 PolarHBondContact O-N 3.1Å; R151-R154 PolarHBondContact O-N 2.98Å; R151-L155 WeakPolarHBondContact O-CB 3.36Å; R151-L155 VanDerWaalsContact O-CG 3.24Å; R151-L155 WeakPolarHBondContact O-CG 3.33Å; R151-L155 PolarHBondContact O-N 3.43Å
152	A	96.3	Very high	93.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-45.9	177.8	0	0	0	0	0	111.4	F116 G148 E149 E150 R154 L155 G156 L157 W169	F116-A152 HydrophobicContact CE1-CB 3.71Å; F116-A152 HydrophobicContact CZ-CB 3.98Å; G148-A152 PolarHBondContact O-N 3.12Å; E149-A152 WeakPolarHBondContact O-CB 3.29Å; E149-A152 PolarHBondContact O-N 3.34Å; E150-A152 VanDerWaalsContact C-N 3.34Å; A152-R154 PolarHBondContact O-N 2.72Å; A152-L155 PolarHBondContact O-N 3.48Å; A152-G156 PolarHBondContact O-N 2.84Å; A152-L157 PolarHBondContact O-N 3.25Å; A152-W169 HydrophobicContact CB-CZ2 3.8Å
153	K	96	Very high	93.3	Very high	113 Å²	113	65.2 Å²	65.2	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-56.4	-48.3	174.3	-72.2	168.5	-175.8	163.6	0	111.8	E149 E150 L155 G156 T158	E149-K153 WeakPolarHBondContact O-CG 3.34Å; E149-K153 PolarHBondContact O-N 3.2Å; E149-K153 WeakPolarHBondContact OE1-CE 3.43Å; E149-K153 IonicContact OE1-NZ 2.63Å; E149-K153 PolarHBondContact OE1-NZ 3.44Å; E150-K153 PolarHBondContact O-N 3.42Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.93Å; K153-G156 PolarHBondContact O-N 2.97Å; K153-T158 HydrophobicContact CB-CG2 4.35Å; K153-T158 HydrophobicContact CG-CG2 3.77Å
154	R	95.2	Very high	93.3	Very high	219 Å²	219	64.3 Å²	64.3	83%	0.826	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-31.5	179	-73.3	175.8	60.4	-165.9	-1.7	113.6	E150 R151 A152	E150-R154 WeakPolarHBondContact O-CG 3.29Å; E150-R154 PolarHBondContact O-N 3.37Å; R151-R154 PolarHBondContact O-N 2.98Å; A152-R154 PolarHBondContact O-N 2.72Å
155	L	94.8	Very high	93.5	Very high	79 Å²	79	64.4 Å²	64.4	41%	0.414	33%	0.328	S	S	.	.	H	α-helix	trans	-90	-3.4	-176.1	-70.7	173.9	0	0	0	114	F116 R151 A152 K153 L157	F116-L155 HydrophobicContact CD2-CD1 3.84Å; F116-L155 HydrophobicContact CE2-CD1 4.07Å; F116-L155 HydrophobicContact CG-CD1 4.24Å; R151-L155 WeakPolarHBondContact O-CB 3.36Å; R151-L155 VanDerWaalsContact O-CG 3.24Å; R151-L155 WeakPolarHBondContact O-CG 3.33Å; R151-L155 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 3.48Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.93Å; L155-L157 HydrophobicContact CB-CB 4.5Å; L155-L157 HydrophobicContact CB-CD1 3.89Å; L155-L157 HydrophobicContact CB-CG 3.95Å; L155-L157 HydrophobicContact CD1-CD1 4.22Å
156	G	94.5	Very high	93.7	Very high	29 Å²	29	67.4 Å²	67.4	30%	0.299	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	21.9	-176.1	0	0	0	0	0	113.5	A152 K153 Q161	A152-G156 PolarHBondContact O-N 2.84Å; K153-G156 PolarHBondContact O-N 2.97Å; G156-Q161 WeakPolarHBondContact O-CB 3.49Å
157	L	95.1	Very high	93.9	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.099	33%	0.332	C	S	.	.			trans	-112.3	32	-169.4	-63.2	177.9	0	0	0	112.4	F116 L119 A152 L155 L162	F116-L157 HydrophobicContact CB-CD1 3.88Å; F116-L157 HydrophobicContact CD1-CB 4.46Å; F116-L157 HydrophobicContact CD1-CD1 3.6Å; F116-L157 HydrophobicContact CE1-CD1 4.42Å; F116-L157 HydrophobicContact CG-CD1 3.86Å; L119-L157 HydrophobicContact CB-CD2 4.33Å; L119-L157 HydrophobicContact CD1-CB 4.12Å; L119-L157 HydrophobicContact CD1-CD2 4.46Å; A152-L157 PolarHBondContact O-N 3.25Å; L155-L157 HydrophobicContact CB-CB 4.5Å; L155-L157 HydrophobicContact CB-CD1 3.89Å; L155-L157 HydrophobicContact CB-CG 3.95Å; L155-L157 HydrophobicContact CD1-CD1 4.22Å; L157-L162 HydrophobicContact CD2-CD2 4.12Å
158	T	93.5	Very high	94.2	Very high	29 Å²	29	65.1 Å²	65.1	18%	0.178	34%	0.338	C	S	.	.	S	Bend	trans	-91.7	162.6	173	67.8	0	0	0	0	111.4	K153 D160 Q161 L162	K153-T158 HydrophobicContact CB-CG2 4.35Å; K153-T158 HydrophobicContact CG-CG2 3.77Å; T158-D160 PolarHBondContact O-N 3.04Å; T158-Q161 PolarHBondContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.26Å; T158-Q161 PolarHBondContact OG1-OE1 2.95Å; T158-Q161 VanDerWaalsContact OG1-OE1 3.04Å; T158-L162 VanDerWaalsContact O-CG 3.29Å; T158-L162 WeakPolarHBondContact O-CG 3.46Å; T158-L162 PolarHBondContact O-N 3.32Å
159	T	93.1	Very high	94.4	Very high	55 Å²	55	67.7 Å²	67.7	34%	0.337	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-41.7	176.8	-63.8	0	0	0	0	112.8	Q161 L162 T166 V167	T159-Q161 PolarHBondContact O-N 3.21Å; T159-L162 PolarHBondContact O-N 3.45Å; T159-T166 HydrophobicContact CG2-CG2 3.8Å; T159-V167 PolarHBondContact OG1-N 2.84Å; T159-V167 PolarHBondContact OG1-O 3.16Å
160	D	91.9	Very high	94.5	Very high	154 Å²	154	68.3 Å²	68.3	82%	0.824	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.7	-178.4	-54.3	-45	0	0	0	113.4	T158	T158-D160 PolarHBondContact O-N 3.04Å
161	Q	90.5	Very high	94.6	Very high	110 Å²	110	64.6 Å²	64.6	51%	0.514	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-16.6	-177.4	-65.7	173.2	-44.6	0	0	112.5	G156 T158 T159	G156-Q161 WeakPolarHBondContact O-CB 3.49Å; T158-Q161 PolarHBondContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.26Å; T158-Q161 PolarHBondContact OG1-OE1 2.95Å; T158-Q161 VanDerWaalsContact OG1-OE1 3.04Å; T159-Q161 PolarHBondContact O-N 3.21Å
162	L	91.9	Very high	94.7	Very high	31 Å²	31	62.2 Å²	62.2	16%	0.162	33%	0.331	C	S	.	.			trans	-97.2	122.6	-179.2	-67.9	168.3	0	0	0	110.1	L119 L157 T158 T159 N164 C165 V167	L119-L162 HydrophobicContact CD1-CD1 4.1Å; L119-L162 HydrophobicContact CD2-CD1 3.97Å; L157-L162 HydrophobicContact CD2-CD2 4.12Å; T158-L162 VanDerWaalsContact O-CG 3.29Å; T158-L162 WeakPolarHBondContact O-CG 3.46Å; T158-L162 PolarHBondContact O-N 3.32Å; T159-L162 PolarHBondContact O-N 3.45Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-N164 PolarHBondContact O-N 3.33Å; L162-C165 HydrophobicContact CB-CB 4.33Å; L162-C165 VanDerWaalsContact CB-O 3.22Å; L162-C165 WeakPolarHBondContact CB-O 3.41Å; L162-C165 HydrophobicContact CD1-CB 4.29Å; L162-V167 HydrophobicContact CD1-CG2 3.64Å
163	S	86.2	Confident	94.6	Very high	106 Å²	106	64.6 Å²	64.6	74%	0.741	34%	0.344	S	S	*	.	S	Bend	trans	-68.7	-28.6	-172.8	68.9	0	0	0	0	114.6
164	N	89.6	Confident	94.7	Very high	46 Å²	46	59.5 Å²	59.5	25%	0.246	32%	0.323	C	S	.	.	S	Bend	trans	-143.6	22.2	-173	-69.4	-60.4	0	0	0	113	Q130 S133 L162	Q130-N164 PolarHBondContact OE1-ND2 3.41Å; S133-N164 PolarHBondContact N-O 3.06Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-N164 PolarHBondContact O-N 3.33Å
165	C	96.1	Very high	94.8	Very high	13 Å²	13	50.4 Å²	50.4	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.3	177.3	-167.3	0	0	0	0	110.4	L119 S133 L162	L119-C165 HydrophobicContact CD2-CB 4.12Å; L119-C165 WeakPolarHBondContact CD2-SG 3.25Å; S133-C165 WeakPolarHBondContact O-CA 3.2Å; L162-C165 HydrophobicContact CB-CB 4.33Å; L162-C165 VanDerWaalsContact CB-O 3.22Å; L162-C165 WeakPolarHBondContact CB-O 3.41Å; L162-C165 HydrophobicContact CD1-CB 4.29Å
166	T	97.4	Very high	94.9	Very high	62 Å²	62	54.7 Å²	54.7	38%	0.38	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.8	173.3	49	0	0	0	0	109.3	S133 H134 V135 T159	S133-T166 PolarHBondContact O-N 3.47Å; S133-T166 PolarHBondContact O-OG1 2.9Å; H134-T166 WeakPolarHBondContact CA-O 3.45Å; H134-T166 PolarHBondContact ND1-OG1 2.9Å; V135-T166 PolarHBondContact N-O 3.12Å; T159-T166 HydrophobicContact CG2-CG2 3.8Å
167	V	98	Very high	95.1	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.5	177.8	-175	0	0	0	0	108.4	L119 V135 V137 T159 L162 W169	L119-V167 HydrophobicContact CD1-CG2 3.9Å; L119-V167 HydrophobicContact CD2-CG2 4.28Å; V135-V167 CarbonylContact O-C 3.59Å; V135-V167 WeakPolarHBondContact O-CA 3.29Å; V137-V167 HydrophobicContact CG2-CG1 4.2Å; T159-V167 PolarHBondContact OG1-N 2.84Å; T159-V167 PolarHBondContact OG1-O 3.16Å; L162-V167 HydrophobicContact CD1-CG2 3.64Å; V167-W169 HydrophobicContact CG1-CZ2 4.19Å
168	A	97.9	Very high	95.2	Very high	35 Å²	35	56.7 Å²	56.7	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.5	174.9	0	0	0	0	0	110.2	V135 T136 V137	V135-A168 PolarHBondContact O-N 3.24Å; T136-A168 CarbonylContact C-O 3.54Å; T136-A168 WeakPolarHBondContact CA-O 3.22Å; V137-A168 PolarHBondContact N-O 2.71Å
169	W	98.1	Very high	95.5	Very high	54 Å²	54	56.7 Å²	56.7	21%	0.205	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.5	177.3	-58.4	85.3	0	0	0	108	G110 F116 V137 L145 G148 E149 A152 V167	G110-W169 WeakPolarHBondContact O-CZ3 3.43Å; F116-W169 HydrophobicContact CE1-CH2 4.24Å; F116-W169 HydrophobicContact CE1-CZ2 4.38Å; F116-W169 HydrophobicContact CZ-CH2 4.17Å; V137-W169 HydrophobicContact CB-CD2 4.13Å; V137-W169 HydrophobicContact CB-CE3 3.63Å; V137-W169 HydrophobicContact CB-CH2 4.34Å; V137-W169 HydrophobicContact CB-CZ3 3.75Å; V137-W169 HydrophobicContact CG1-CE3 3.85Å; V137-W169 HydrophobicContact CG1-CH2 4.29Å; V137-W169 HydrophobicContact CG1-CZ3 3.57Å; V137-W169 HydrophobicContact CG2-CD2 4.22Å; V137-W169 HydrophobicContact CG2-CE3 4.02Å; V137-W169 HydrophobicContact CG2-CH2 3.97Å; V137-W169 HydrophobicContact CG2-CZ2 4.17Å; V137-W169 HydrophobicContact CG2-CZ3 3.9Å; V137-W169 WeakPolarHBondContact O-CA 3.4Å; L145-W169 HydrophobicContact CB-CE3 4.39Å; L145-W169 HydrophobicContact CD2-CE3 3.88Å; G148-W169 WeakPolarHBondContact O-CH2 3.47Å; E149-W169 HydrophobicContact CB-CD2 4.21Å; E149-W169 HydrophobicContact CB-CG 4.44Å; E149-W169 HydrophobicContact CG-CG 4.46Å; A152-W169 HydrophobicContact CB-CZ2 3.8Å; V167-W169 HydrophobicContact CG1-CZ2 4.19Å
170	Q	98	Very high	95.7	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.379	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	117	-174	179.7	61.4	61.3	0	0	111.2	T136 V137 S138 D139 A172 P178 F179	T136-Q170 HydrophobicContact CG2-CB 4.03Å; V137-Q170 PolarHBondContact O-N 2.83Å; S138-Q170 WeakPolarHBondContact CA-O 3.33Å; S138-Q170 WeakPolarHBondContact CB-O 3.22Å; S138-Q170 PolarHBondContact OG-O 3.3Å; D139-Q170 PolarHBondContact N-O 2.74Å; Q170-A172 HydrophobicContact CG-CB 4.44Å; Q170-A172 PolarHBondContact O-N 3.37Å; Q170-P178 HydrophobicContact CG-CG 4.42Å; Q170-F179 HydrophobicContact CB-CE1 4.43Å; Q170-F179 HydrophobicContact CB-CZ 4.03Å; Q170-F179 HydrophobicContact CG-CE1 3.96Å; Q170-F179 HydrophobicContact CG-CZ 3.68Å
171	C	97.4	Very high	96	Very high	46 Å²	46	56.1 Å²	56.1	31%	0.311	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	120.9	168.5	-172.3	0	0	0	0	109.8	D139 I140 Q142 L145	D139-C171 CarbonylContact O-C 3.44Å; D139-C171 VanDerWaalsContact O-CA 3.22Å; D139-C171 WeakPolarHBondContact O-CA 3.22Å; I140-C171 PolarHBondContact O-SG 3.4Å; I140-C171 VanDerWaalsContact O-SG 3.4Å; Q142-C171 VanDerWaalsContact OE1-CB 3.3Å; L145-C171 HydrophobicContact CD1-CB 3.94Å
172	A	96.7	Very high	96.4	Very high	9 Å²	9	52.7 Å²	52.7	7%	0.074	30%	0.302	C	S	.	.			trans	-156.9	149.8	179.1	0	0	0	0	0	112.2	M107 S138 D139 I140 Q170 L177 P178	M107-A172 WeakPolarHBondContact CE-O 3.2Å; S138-A172 WeakPolarHBondContact OG-CB 3.36Å; D139-A172 CarbonylContact C-O 3.58Å; D139-A172 PolarHBondContact O-N 3.23Å; I140-A172 WeakPolarHBondContact CA-O 3.39Å; I140-A172 PolarHBondContact N-O 2.79Å; Q170-A172 HydrophobicContact CG-CB 4.44Å; Q170-A172 PolarHBondContact O-N 3.37Å; A172-L177 HydrophobicContact CB-CD2 4.37Å; A172-P178 VanDerWaalsContact CB-CD 3.45Å; A172-P178 HydrophobicContact CB-CG 3.91Å
173	D	95.7	Very high	96.7	Very high	50 Å²	50	52.3 Å²	52.3	27%	0.267	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-80.2	126	167	178.7	5.5	0	0	0	109.8	I140 E175 K176 L177	I140-D173 HydrophobicContact CD1-CB 4.11Å; D173-E175 PolarHBondContact O-N 3.26Å; D173-E175 WeakPolarHBondContact OD1-CB 3.41Å; D173-E175 PolarHBondContact OD1-N 2.85Å; D173-K176 CarbonylContact O-C 3.55Å; D173-K176 PolarHBondContact O-N 3.47Å; D173-L177 PolarHBondContact O-N 3Å
174	A	97.4	Very high	97.3	Very high	6 Å²	6	47.5 Å²	47.5	5%	0.05	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.3	177.4	0	0	0	0	0	113	M107 K176 V202	M107-A174 HydrophobicContact CE-CB 3.96Å; M107-A174 HydrophobicContact CG-CB 3.74Å; M107-A174 HydrophobicContact SD-CB 4.02Å; A174-K176 VanDerWaalsContact C-N 3.29Å; A174-V202 HydrophobicContact CB-CG1 4.03Å; A174-V202 HydrophobicContact CB-CG2 4.01Å
175	E	97.7	Very high	97.7	Very high	29 Å²	29	47.1 Å²	47.1	14%	0.136	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-12	176.4	-59.9	-176.1	-161.6	0	0	113.1	D173 T197 H198 K201 V202	D173-E175 PolarHBondContact O-N 3.26Å; D173-E175 WeakPolarHBondContact OD1-CB 3.41Å; D173-E175 PolarHBondContact OD1-N 2.85Å; E175-T197 VanDerWaalsContact OE1-CA 3.29Å; E175-T197 WeakPolarHBondContact OE1-CA 3.41Å; E175-T197 VanDerWaalsContact OE1-CB 3.31Å; E175-T197 WeakPolarHBondContact OE1-CB 3.46Å; E175-T197 PolarHBondContact OE1-N 3.41Å; E175-H198 PolarHBondContact OE1-N 3.25Å; E175-H198 IonicContact OE1-ND1 2.75Å; E175-H198 WeakPolarHBondContact OE2-CB 3.45Å; E175-H198 IonicContact OE2-CE1 2.71Å; E175-H198 IonicContact OE2-CG 3.57Å; E175-H198 IonicContact OE2-ND1 3.63Å; E175-H198 PolarHBondContact OE2-ND1 3.18Å; E175-K201 HydrophobicContact CB-CB 4.09Å; E175-K201 HydrophobicContact CB-CD 4.45Å; E175-K201 HydrophobicContact CG-CB 4.36Å; E175-V202 HydrophobicContact CG-CG2 3.74Å
176	K	97.1	Very high	97.8	Very high	168 Å²	168	46.6 Å²	46.6	73%	0.73	26%	0.263	S	S	*	.	B	Isolated β-bridge	trans	-155.1	82.6	179.2	-170.2	-176.6	179.2	-176.4	0	110.8	D173 A174	D173-K176 CarbonylContact O-C 3.55Å; D173-K176 PolarHBondContact O-N 3.47Å; A174-K176 VanDerWaalsContact C-N 3.29Å
177	L	98.1	Very high	97.9	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	25%	0.245	C	C	.	.			trans	-77.2	134.1	-174.9	-65.1	173	0	0	0	111.8	L105 M107 A172 D173 F179 Y187 E205 R208 V209	L105-L177 HydrophobicContact CD2-CD1 3.91Å; M107-L177 HydrophobicContact SD-CD2 3.73Å; A172-L177 HydrophobicContact CB-CD2 4.37Å; D173-L177 PolarHBondContact O-N 3Å; L177-F179 HydrophobicContact CB-CD2 3.88Å; L177-F179 HydrophobicContact CD1-CD2 4.43Å; L177-F179 HydrophobicContact CD2-CD2 4.25Å; L177-F179 HydrophobicContact CD2-CE2 4.12Å; L177-F179 HydrophobicContact CG-CD2 4.43Å; L177-F179 PolarHBondContact O-N 3.28Å; L177-Y187 HydrophobicContact CD1-CE2 4.05Å; L177-E205 WeakPolarHBondContact CA-OE2 3.43Å; L177-E205 WeakPolarHBondContact CB-OE2 3.25Å; L177-E205 HydrophobicContact CD1-CB 3.88Å; L177-E205 HydrophobicContact CG-CB 4.1Å; L177-E205 PolarHBondContact N-OE2 3.06Å; L177-R208 PolarHBondContact O-NH2 3.18Å; L177-R208 VanDerWaalsContact O-NH2 3.07Å; L177-V209 HydrophobicContact CB-CG1 4.29Å; L177-V209 HydrophobicContact CD1-CG1 3.9Å; L177-V209 HydrophobicContact CD1-CG2 4.08Å
178	P	97.8	Very high	98	Very high	83 Å²	83	42.9 Å²	42.9	54%	0.539	24%	0.24	S	C	.	.	S	Bend	trans	-81	28.6	177.1	36.5	-37.8	0	0	0	112.5	Q170 A172	Q170-P178 HydrophobicContact CG-CG 4.42Å; A172-P178 VanDerWaalsContact CB-CD 3.45Å; A172-P178 HydrophobicContact CB-CG 3.91Å
179	F	98.3	Very high	98	Very high	28 Å²	28	41.2 Å²	41.2	12%	0.123	23%	0.227	C	C	.	.	S	Bend	trans	-108.3	143.6	-178.8	-54.6	-58.3	0	0	0	111	L105 T136 Q170 L177 F184 R208 V209	L105-F179 HydrophobicContact CD1-CD2 4.42Å; L105-F179 HydrophobicContact CD1-CE2 3.7Å; L105-F179 HydrophobicContact CD1-CZ 4.2Å; L105-F179 HydrophobicContact CD2-CD2 3.89Å; L105-F179 HydrophobicContact CD2-CE2 3.9Å; T136-F179 HydrophobicContact CG2-CE1 4.07Å; T136-F179 HydrophobicContact CG2-CZ 3.69Å; Q170-F179 HydrophobicContact CB-CE1 4.43Å; Q170-F179 HydrophobicContact CB-CZ 4.03Å; Q170-F179 HydrophobicContact CG-CE1 3.96Å; Q170-F179 HydrophobicContact CG-CZ 3.68Å; L177-F179 HydrophobicContact CB-CD2 3.88Å; L177-F179 HydrophobicContact CD1-CD2 4.43Å; L177-F179 HydrophobicContact CD2-CD2 4.25Å; L177-F179 HydrophobicContact CD2-CE2 4.12Å; L177-F179 HydrophobicContact CG-CD2 4.43Å; L177-F179 PolarHBondContact O-N 3.28Å; F179-F184 HydrophobicContact CB-CE2 3.88Å; F179-F184 HydrophobicContact CD1-CE2 4.21Å; F179-F184 HydrophobicContact CD1-CZ 4.2Å; F179-F184 AromaticContact CD2-CE2 3.85Å; F179-F184 HydrophobicContact CD2-CE2 3.85Å; F179-F184 HydrophobicContact CD2-CZ 4.28Å; F179-F184 HydrophobicContact CE1-CZ 4.43Å; F179-F184 HydrophobicContact CE2-CE2 4.48Å; F179-F184 AromaticContact CG-CE2 3.71Å; F179-F184 HydrophobicContact CG-CE2 3.71Å; F179-F184 HydrophobicContact CG-CZ 4.13Å; F179-R208 PolarHBondContact O-NH1 2.8Å; F179-R208 PolarHBondContact O-NH2 3.01Å; F179-V209 HydrophobicContact CB-CG1 4.03Å
180	P	98	Very high	97.9	Very high	90 Å²	90	39.2 Å²	39.2	58%	0.584	22%	0.222	S	C	*	.			trans	-63.9	158.9	172.8	-18.8	31	0	0	0	112.6	S183	P180-S183 WeakPolarHBondContact CD-OG 3.47Å; P180-S183 WeakPolarHBondContact O-CB 3.49Å; P180-S183 PolarHBondContact O-OG 3.39Å
181	D	98.6	Very high	97.7	Very high	107 Å²	107	35.9 Å²	35.9	57%	0.572	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	146.8	172.2	-63.1	13.4	0	0	0	110.9	S183 R208	D181-S183 VanDerWaalsContact C-N 3.25Å; D181-S183 PolarHBondContact O-N 3.46Å; D181-S183 VanDerWaalsContact O-N 3.17Å; D181-R208 WeakPolarHBondContact CA-O 3.34Å; D181-R208 HydrophobicContact CB-CG 4.39Å; D181-R208 VanDerWaalsContact OD1-CD 3.24Å; D181-R208 WeakPolarHBondContact OD1-CD 3.4Å; D181-R208 WeakPolarHBondContact OD1-CG 3.31Å; D181-R208 IonicContact OD1-CZ 3.71Å; D181-R208 IonicContact OD1-NE 3.71Å; D181-R208 IonicContact OD1-NH1 3.23Å; D181-R208 PolarHBondContact OD1-NH1 2.88Å
182	A	98.4	Very high	97.5	Very high	39 Å²	39	34 Å²	34	32%	0.322	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.6	173.9	0	0	0	0	0	114.8	R208 V209 L210 Q211	A182-R208 PolarHBondContact N-O 3.37Å; A182-V209 CarbonylContact C-O 3.57Å; A182-V209 WeakPolarHBondContact CA-O 3.43Å; A182-V209 PolarHBondContact N-O 2.88Å; A182-L210 WeakPolarHBondContact CA-O 3.35Å; A182-Q211 VanDerWaalsContact C-CG 3.49Å; A182-Q211 HydrophobicContact CB-CG 3.94Å; A182-Q211 WeakPolarHBondContact O-CG 3.38Å; A182-Q211 PolarHBondContact O-NE2 2.88Å
183	S	98.2	Very high	97.4	Very high	22 Å²	22	33.6 Å²	33.6	15%	0.154	19%	0.191	C	C	.	.			trans	-89.8	-21.1	-179.7	-65.6	0	0	0	0	114.2	R103 P180 D181 V209	R103-S183 PolarHBondContact NE-O 2.83Å; P180-S183 WeakPolarHBondContact CD-OG 3.47Å; P180-S183 WeakPolarHBondContact O-CB 3.49Å; P180-S183 PolarHBondContact O-OG 3.39Å; D181-S183 VanDerWaalsContact C-N 3.25Å; D181-S183 PolarHBondContact O-N 3.46Å; D181-S183 VanDerWaalsContact O-N 3.17Å; S183-V209 PolarHBondContact N-O 2.86Å
184	F	98.8	Very high	97.4	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.5	-173.3	-61.7	-81.4	0	0	0	112.2	R103 L105 T136 F179 V209 L210 Q211	R103-F184 HydrophobicContact CB-CD1 4.35Å; R103-F184 WeakPolarHBondContact O-CA 3.32Å; R103-F184 WeakPolarHBondContact O-CB 3.48Å; L105-F184 HydrophobicContact CB-CB 4.45Å; L105-F184 HydrophobicContact CB-CD1 3.71Å; L105-F184 HydrophobicContact CB-CD2 3.97Å; L105-F184 HydrophobicContact CB-CE1 3.84Å; L105-F184 HydrophobicContact CB-CE2 4.08Å; L105-F184 HydrophobicContact CB-CG 3.77Å; L105-F184 HydrophobicContact CB-CZ 4.02Å; L105-F184 HydrophobicContact CD1-CZ 4.24Å; L105-F184 HydrophobicContact CD2-CD2 4.18Å; L105-F184 HydrophobicContact CD2-CE2 3.97Å; L105-F184 HydrophobicContact CD2-CZ 4.42Å; L105-F184 HydrophobicContact CG-CE2 4.45Å; L105-F184 HydrophobicContact CG-CZ 4.46Å; T136-F184 WeakPolarHBondContact OG1-CE1 3.34Å; F179-F184 HydrophobicContact CB-CE2 3.88Å; F179-F184 HydrophobicContact CD1-CE2 4.21Å; F179-F184 HydrophobicContact CD1-CZ 4.2Å; F179-F184 AromaticContact CD2-CE2 3.85Å; F179-F184 HydrophobicContact CD2-CE2 3.85Å; F179-F184 HydrophobicContact CD2-CZ 4.28Å; F179-F184 HydrophobicContact CE1-CZ 4.43Å; F179-F184 HydrophobicContact CE2-CE2 4.48Å; F179-F184 AromaticContact CG-CE2 3.71Å; F179-F184 HydrophobicContact CG-CE2 3.71Å; F179-F184 HydrophobicContact CG-CZ 4.13Å; F184-V209 HydrophobicContact CD2-CB 4.04Å; F184-V209 HydrophobicContact CD2-CG2 4.11Å; F184-V209 PolarHBondContact N-O 2.83Å; F184-L210 HydrophobicContact CB-CD2 4.46Å; F184-L210 CarbonylContact O-C 3.58Å; F184-L210 WeakPolarHBondContact O-CA 3.46Å; F184-Q211 WeakPolarHBondContact O-CG 3.36Å; F184-Q211 PolarHBondContact O-N 2.88Å
185	T	98.5	Very high	97.1	Very high	38 Å²	38	32.1 Å²	32.1	23%	0.233	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-21.6	174.1	59.9	0	0	0	0	111.7	M102 R103 G214 R215	M102-T185 WeakPolarHBondContact CA-OG1 3.36Å; R103-T185 PolarHBondContact N-OG1 3.18Å; R103-T185 PolarHBondContact O-N 2.93Å; R103-T185 PolarHBondContact O-OG1 3.49Å; T185-G214 WeakPolarHBondContact O-CA 3.48Å; T185-R215 PolarHBondContact O-N 2.93Å
186	A	98.7	Very high	96.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.4	177.5	0	0	0	0	0	111.3	L96 M102 R103 L104 L105 R215	L96-A186 HydrophobicContact CD1-CB 4.04Å; M102-A186 HydrophobicContact CE-CB 3.59Å; R103-A186 PolarHBondContact O-N 2.99Å; L104-A186 WeakPolarHBondContact CA-O 3.36Å; L104-A186 HydrophobicContact CD1-CB 3.85Å; L105-A186 PolarHBondContact N-O 3Å; A186-R215 CarbonylContact C-O 3.59Å; A186-R215 VanDerWaalsContact CA-O 3.32Å; A186-R215 WeakPolarHBondContact CA-O 3.15Å
187	Y	98.8	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.7	175.8	-175.5	-72.3	0	0	0	108.1	L105 M107 L177 I189 A206 V209 R215 F216 M217	L105-Y187 HydrophobicContact CB-CD2 4.27Å; L105-Y187 HydrophobicContact CD2-CD2 3.7Å; L105-Y187 HydrophobicContact CD2-CE2 3.63Å; L105-Y187 HydrophobicContact CG-CD2 4.1Å; L105-Y187 HydrophobicContact CG-CE2 4.18Å; L105-Y187 WeakPolarHBondContact O-CA 3.38Å; M107-Y187 HydrophobicContact CB-CE1 3.92Å; M107-Y187 HydrophobicContact CB-CE2 4.11Å; M107-Y187 VanDerWaalsContact CB-CZ 3.5Å; M107-Y187 VanDerWaalsContact CB-OH 3.29Å; M107-Y187 WeakPolarHBondContact CB-OH 3.11Å; M107-Y187 VanDerWaalsContact CG-OH 3.23Å; M107-Y187 WeakPolarHBondContact CG-OH 2.83Å; L177-Y187 HydrophobicContact CD1-CE2 4.05Å; Y187-I189 HydrophobicContact CE1-CB 3.92Å; Y187-I189 HydrophobicContact CE1-CG2 3.97Å; Y187-A206 HydrophobicContact CD1-CB 4.02Å; Y187-A206 HydrophobicContact CD2-CB 3.75Å; Y187-A206 HydrophobicContact CE1-CB 3.97Å; Y187-A206 HydrophobicContact CE2-CB 3.69Å; Y187-A206 HydrophobicContact CG-CB 3.91Å; Y187-V209 HydrophobicContact CD2-CG2 4.1Å; Y187-R215 PolarHBondContact N-O 3.42Å; Y187-F216 AromaticContact CD1-CD2 3.44Å; Y187-F216 HydrophobicContact CD1-CD2 3.44Å; Y187-F216 VanDerWaalsContact CD1-CD2 3.44Å; Y187-F216 AromaticContact CD1-CE2 3.6Å; Y187-F216 HydrophobicContact CD1-CE2 3.6Å; Y187-F216 HydrophobicContact CE1-CD2 4.01Å; Y187-F216 AromaticContact CE1-CE2 3.69Å; Y187-F216 HydrophobicContact CE1-CE2 3.69Å; Y187-F216 HydrophobicContact CG-CD2 4.09Å; Y187-M217 PolarHBondContact O-N 3.45Å
188	T	98.8	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143	171.5	51.9	0	0	0	0	110.9	F92 L96 L104 L105 D106 M107 M217	F92-T188 HydrophobicContact CE1-CG2 3.8Å; F92-T188 HydrophobicContact CZ-CG2 3.82Å; L96-T188 HydrophobicContact CD1-CG2 4.36Å; L96-T188 HydrophobicContact CD2-CG2 3.93Å; L104-T188 HydrophobicContact CD1-CG2 3.88Å; L105-T188 PolarHBondContact O-N 3.33Å; D106-T188 WeakPolarHBondContact CA-OG1 3.46Å; D106-T188 PolarHBondContact OD1-OG1 3.21Å; M107-T188 PolarHBondContact N-O 3.35Å; T188-M217 WeakPolarHBondContact CA-O 3.44Å; T188-M217 HydrophobicContact CG2-CB 4.43Å
189	I	98.5	Very high	96.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.8	165.6	-175	158.7	0	0	0	109	M107 A108 Y187 I193 V202 F216 M217 C218 L219	M107-I189 HydrophobicContact CB-CB 4.37Å; M107-I189 HydrophobicContact CB-CD1 4.34Å; M107-I189 HydrophobicContact CG-CD1 4.16Å; M107-I189 WeakPolarHBondContact O-CA 3.44Å; A108-I189 HydrophobicContact CB-CD1 4.41Å; A108-I189 HydrophobicContact CB-CG1 4.22Å; Y187-I189 HydrophobicContact CE1-CB 3.92Å; Y187-I189 HydrophobicContact CE1-CG2 3.97Å; I189-I193 HydrophobicContact CD1-CB 3.76Å; I189-I193 HydrophobicContact CD1-CG1 4.27Å; I189-I193 HydrophobicContact CG1-CB 4.2Å; I189-I193 HydrophobicContact CG2-CB 4.41Å; I189-V202 HydrophobicContact CD1-CG1 4.4Å; I189-F216 HydrophobicContact CG2-CE2 4.04Å; I189-F216 HydrophobicContact CG2-CZ 4.12Å; I189-M217 PolarHBondContact N-O 3.29Å; I189-C218 HydrophobicContact CG2-CB 3.9Å; I189-C218 CarbonylContact O-C 3.11Å; I189-C218 VanDerWaalsContact O-CA 3.28Å; I189-C218 WeakPolarHBondContact O-CA 3.23Å; I189-L219 PolarHBondContact O-N 3.47Å
190	A	96.7	Very high	96.3	Very high	12 Å²	12	26.1 Å²	26.1	10%	0.099	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.7	-175.5	0	0	0	0	0	110.7	F92 I114 G192 L219	F92-A190 HydrophobicContact CE1-CB 4.28Å; I114-A190 HydrophobicContact CD1-CB 3.98Å; I114-A190 HydrophobicContact CG1-CB 3.69Å; A190-G192 PolarHBondContact O-N 3.38Å; A190-G192 VanDerWaalsContact O-N 3.12Å; A190-L219 CarbonylContact C-O 3.38Å; A190-L219 WeakPolarHBondContact CA-O 3.38Å; A190-L219 HydrophobicContact CB-CB 4.07Å; A190-L219 HydrophobicContact CB-CD2 4.31Å
191	F	93.3	Very high	96.3	Very high	10 Å²	10	26 Å²	26	4%	0.044	15%	0.148	C	C	.	.	S	Bend	trans	55.7	23.9	-178.5	-53.6	-69.3	0	0	0	114.3	W88 K89 R194 N195 L219 E220 F221 V293	W88-F191 HydrophobicContact CE3-CZ 4.13Å; K89-F191 HydrophobicContact CG-CE2 4.43Å; F191-R194 VanDerWaalsContact CA-NH1 3.31Å; F191-R194 PolarHBondContact O-NH1 3.07Å; F191-R194 PolarHBondContact O-NH2 3.48Å; F191-N195 PolarHBondContact O-ND2 3.1Å; F191-L219 HydrophobicContact CD2-CD2 4.31Å; F191-L219 HydrophobicContact CE1-CG 4.47Å; F191-L219 HydrophobicContact CE2-CD2 3.5Å; F191-L219 HydrophobicContact CE2-CG 4.06Å; F191-L219 HydrophobicContact CZ-CD2 3.75Å; F191-L219 HydrophobicContact CZ-CG 3.91Å; F191-L219 PolarHBondContact N-O 3.24Å; F191-E220 WeakPolarHBondContact CA-OE2 3.39Å; F191-F221 AromaticContact CD1-CD2 3.69Å; F191-F221 HydrophobicContact CD1-CD2 3.69Å; F191-F221 AromaticContact CD1-CE2 3.53Å; F191-F221 HydrophobicContact CD1-CE2 3.53Å; F191-F221 HydrophobicContact CD1-CG 4.34Å; F191-F221 HydrophobicContact CD1-CZ 4.05Å; F191-F221 HydrophobicContact CE1-CD1 4.28Å; F191-F221 AromaticContact CE1-CD2 3.98Å; F191-F221 HydrophobicContact CE1-CD2 3.98Å; F191-F221 HydrophobicContact CE1-CE1 4.1Å; F191-F221 AromaticContact CE1-CE2 3.8Å; F191-F221 HydrophobicContact CE1-CE2 3.8Å; F191-F221 HydrophobicContact CE1-CG 4.22Å; F191-F221 AromaticContact CE1-CZ 3.86Å; F191-F221 HydrophobicContact CE1-CZ 3.86Å; F191-F221 HydrophobicContact CG-CE2 4.45Å; F191-V293 HydrophobicContact CE1-CG1 4.05Å; F191-V293 HydrophobicContact CE1-CG2 4.09Å; F191-V293 HydrophobicContact CZ-CG1 4.09Å; F191-V293 HydrophobicContact CZ-CG2 4.31Å
192	G	93.1	Very high	96.3	Very high	8 Å²	8	20.9 Å²	20.9	8%	0.082	12%	0.12	C	C	.	.			trans	-107.1	-40.9	-178.2	0	0	0	0	0	113.7	A190 R194 N195	A190-G192 PolarHBondContact O-N 3.38Å; A190-G192 VanDerWaalsContact O-N 3.12Å; G192-R194 VanDerWaalsContact C-N 3.31Å; G192-R194 PolarHBondContact O-N 3.24Å; G192-N195 WeakPolarHBondContact O-CB 3.41Å; G192-N195 PolarHBondContact O-N 3.2Å; G192-N195 PolarHBondContact O-ND2 2.85Å
193	I	95.9	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-66.4	-30	-163.6	-160.7	167.6	0	0	0	113.5	I189 N195 C196 V199 V202 L203 E220 F265 F271	I189-I193 HydrophobicContact CD1-CB 3.76Å; I189-I193 HydrophobicContact CD1-CG1 4.27Å; I189-I193 HydrophobicContact CG1-CB 4.2Å; I189-I193 HydrophobicContact CG2-CB 4.41Å; I193-N195 PolarHBondContact O-N 2.89Å; I193-N195 VanDerWaalsContact O-N 3.16Å; I193-C196 WeakPolarHBondContact O-CB 3.41Å; I193-C196 PolarHBondContact O-N 3.29Å; I193-C196 VanDerWaalsContact O-N 3.16Å; I193-V199 HydrophobicContact CD1-CG1 3.96Å; I193-V199 HydrophobicContact CG1-CG1 4.13Å; I193-V202 HydrophobicContact CD1-CB 4.36Å; I193-V202 HydrophobicContact CD1-CG1 3.92Å; I193-V202 HydrophobicContact CG1-CB 4.43Å; I193-V202 HydrophobicContact CG1-CG1 4.06Å; I193-L203 HydrophobicContact CD1-CD2 4.13Å; I193-L203 HydrophobicContact CD1-CG 4.48Å; I193-E220 HydrophobicContact CG2-CG 4.26Å; I193-F265 HydrophobicContact CG2-CE2 3.78Å; I193-F265 HydrophobicContact CG2-CZ 3.67Å; I193-F271 HydrophobicContact CD1-CE2 4.03Å; I193-F271 HydrophobicContact CD1-CZ 3.84Å; I193-F271 HydrophobicContact CG2-CZ 4.32Å
194	R	93.9	Very high	96.4	Very high	11 Å²	11	21.1 Å²	21.1	4%	0.042	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.7	177.2	72.6	-179.9	-175.5	-72.6	-16.4	113.5	F191 G192 E220 S261 F265	F191-R194 VanDerWaalsContact CA-NH1 3.31Å; F191-R194 PolarHBondContact O-NH1 3.07Å; F191-R194 PolarHBondContact O-NH2 3.48Å; G192-R194 VanDerWaalsContact C-N 3.31Å; G192-R194 PolarHBondContact O-N 3.24Å; R194-E220 HydrophobicContact CB-CG 4.43Å; R194-E220 WeakPolarHBondContact CG-OE2 3.45Å; R194-E220 IonicContact CZ-OE1 3.22Å; R194-E220 PolarHBondContact N-OE2 3.04Å; R194-E220 IonicContact NE-OE1 3.53Å; R194-E220 IonicContact NH1-OE1 3.68Å; R194-E220 PolarHBondContact NH1-OE1 2.83Å; R194-E220 IonicContact NH1-OE2 2.68Å; R194-E220 PolarHBondContact NH1-OE2 3.01Å; R194-S261 WeakPolarHBondContact CD-OG 3.22Å; R194-S261 PolarHBondContact NE-OG 2.66Å; R194-F265 HydrophobicContact CB-CB 4.29Å; R194-F265 HydrophobicContact CB-CD2 3.56Å; R194-F265 HydrophobicContact CB-CE2 4.15Å; R194-F265 HydrophobicContact CB-CG 4.04Å
195	N	92.2	Very high	96.4	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.07	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-87.5	-14.2	-177.8	-46.3	-71.9	0	0	0	112	K58 V62 F66 F191 G192 I193 Y257	K58-N195 WeakPolarHBondContact CE-O 3.38Å; V62-N195 HydrophobicContact CG1-CB 3.79Å; F66-N195 HydrophobicContact CE2-CB 4.04Å; F66-N195 WeakPolarHBondContact CZ-ND2 3.37Å; F191-N195 PolarHBondContact O-ND2 3.1Å; G192-N195 WeakPolarHBondContact O-CB 3.41Å; G192-N195 PolarHBondContact O-N 3.2Å; G192-N195 PolarHBondContact O-ND2 2.85Å; I193-N195 PolarHBondContact O-N 2.89Å; I193-N195 VanDerWaalsContact O-N 3.16Å; N195-Y257 WeakPolarHBondContact OD1-CE1 3.45Å; N195-Y257 PolarHBondContact OD1-OH 3.44Å
196	C	93.4	Very high	96.4	Very high	23 Å²	23	20.3 Å²	20.3	16%	0.155	11%	0.113	C	C	.	.			trans	-68.7	150.5	174.4	-58.6	0	0	0	0	111.1	K58 I193 V202	K58-C196 WeakPolarHBondContact CE-O 3.16Å; K58-C196 PolarHBondContact NZ-O 3.26Å; I193-C196 WeakPolarHBondContact O-CB 3.41Å; I193-C196 PolarHBondContact O-N 3.29Å; I193-C196 VanDerWaalsContact O-N 3.16Å; C196-V202 HydrophobicContact CB-CG2 3.65Å
197	T	91.3	Very high	96.4	Very high	26 Å²	26	23.4 Å²	23.4	16%	0.16	13%	0.125	C	C	.	.	S	Bend	trans	-77.3	-47.3	178.6	-58.5	0	0	0	0	110.9	T46 E55 K58 E175	T46-T197 HydrophobicContact CG2-CG2 3.94Å; E55-T197 HydrophobicContact CB-CG2 4.32Å; E55-T197 HydrophobicContact CG-CG2 3.95Å; K58-T197 HydrophobicContact CD-CG2 4.21Å; K58-T197 WeakPolarHBondContact CD-OG1 3.43Å; E175-T197 VanDerWaalsContact OE1-CA 3.29Å; E175-T197 WeakPolarHBondContact OE1-CA 3.41Å; E175-T197 VanDerWaalsContact OE1-CB 3.31Å; E175-T197 WeakPolarHBondContact OE1-CB 3.46Å; E175-T197 PolarHBondContact OE1-N 3.41Å
198	H	94.3	Very high	96.4	Very high	29 Å²	29	26 Å²	26	13%	0.134	14%	0.135	C	C	.	.			trans	-117	86.6	-177.9	-54.5	95.9	0	0	0	110.3	E55 E175 D200 K201 V202	E55-H198 IonicContact OE1-NE2 2.73Å; E55-H198 PolarHBondContact OE1-NE2 3.21Å; E55-H198 IonicContact OE2-CE1 3.98Å; E55-H198 IonicContact OE2-NE2 2.77Å; E55-H198 PolarHBondContact OE2-NE2 3.44Å; E175-H198 PolarHBondContact OE1-N 3.25Å; E175-H198 IonicContact OE1-ND1 2.75Å; E175-H198 WeakPolarHBondContact OE2-CB 3.45Å; E175-H198 IonicContact OE2-CE1 2.71Å; E175-H198 IonicContact OE2-CG 3.57Å; E175-H198 IonicContact OE2-ND1 3.63Å; E175-H198 PolarHBondContact OE2-ND1 3.18Å; H198-D200 WeakPolarHBondContact CA-OD1 3.5Å; H198-D200 WeakPolarHBondContact CB-OD1 3.49Å; H198-D200 PolarHBondContact O-N 3.16Å; H198-K201 HydrophobicContact CB-CB 3.94Å; H198-K201 HydrophobicContact CB-CD 3.68Å; H198-K201 HydrophobicContact CB-CG 3.72Å; H198-K201 PolarHBondContact CE1-NZ 3.43Å; H198-K201 PolarHBondContact ND1-NZ 3.09Å; H198-K201 PolarHBondContact O-N 3.03Å; H198-V202 PolarHBondContact O-N 3.42Å; H198-V202 VanDerWaalsContact O-N 3.17Å
199	V	96.7	Very high	96.4	Very high	18 Å²	18	26 Å²	26	11%	0.109	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-34.5	178.7	175.5	0	0	0	0	111.5	I193 K201 V202 L203 F265 F271 M274	I193-V199 HydrophobicContact CD1-CG1 3.96Å; I193-V199 HydrophobicContact CG1-CG1 4.13Å; V199-K201 PolarHBondContact O-N 3.35Å; V199-V202 PolarHBondContact O-N 2.79Å; V199-L203 HydrophobicContact CG1-CD1 4.16Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 VanDerWaalsContact O-CG 3.29Å; V199-L203 WeakPolarHBondContact O-CG 3.42Å; V199-L203 PolarHBondContact O-N 3.01Å; V199-F265 HydrophobicContact CG2-CE2 4.44Å; V199-F271 HydrophobicContact CG1-CD2 4.3Å; V199-F271 HydrophobicContact CG1-CE2 3.74Å; V199-M274 HydrophobicContact CB-CE 3.84Å; V199-M274 HydrophobicContact CG1-CE 3.68Å
200	D	97	Very high	96.4	Very high	95 Å²	95	26 Å²	26	51%	0.508	14%	0.135	S	C	.	.	H	α-helix	trans	-58.9	-42	173.8	59	-56.1	0	0	0	112.7	H198 L203 S204	H198-D200 WeakPolarHBondContact CA-OD1 3.5Å; H198-D200 WeakPolarHBondContact CB-OD1 3.49Å; H198-D200 PolarHBondContact O-N 3.16Å; D200-L203 PolarHBondContact O-N 2.84Å; D200-S204 WeakPolarHBondContact O-CB 3.35Å; D200-S204 PolarHBondContact O-N 2.96Å
201	K	97.8	Very high	96.5	Very high	87 Å²	87	28.5 Å²	28.5	38%	0.378	15%	0.145	S	C	.	.	H	α-helix	trans	-68.2	-40.4	175.8	-65.7	-177.5	-168.3	155.9	0	112	E175 H198 V199 L203 S204 E205	E175-K201 HydrophobicContact CB-CB 4.09Å; E175-K201 HydrophobicContact CB-CD 4.45Å; E175-K201 HydrophobicContact CG-CB 4.36Å; H198-K201 HydrophobicContact CB-CB 3.94Å; H198-K201 HydrophobicContact CB-CD 3.68Å; H198-K201 HydrophobicContact CB-CG 3.72Å; H198-K201 PolarHBondContact CE1-NZ 3.43Å; H198-K201 PolarHBondContact ND1-NZ 3.09Å; H198-K201 PolarHBondContact O-N 3.03Å; V199-K201 PolarHBondContact O-N 3.35Å; K201-L203 VanDerWaalsContact C-N 3.3Å; K201-L203 PolarHBondContact O-N 3.27Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-E205 WeakPolarHBondContact O-CB 3.39Å; K201-E205 PolarHBondContact O-N 3.29Å
202	V	98.6	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-45	175.2	179.8	0	0	0	0	110.9	A174 E175 I189 I193 C196 H198 V199 E205 A206	A174-V202 HydrophobicContact CB-CG1 4.03Å; A174-V202 HydrophobicContact CB-CG2 4.01Å; E175-V202 HydrophobicContact CG-CG2 3.74Å; I189-V202 HydrophobicContact CD1-CG1 4.4Å; I193-V202 HydrophobicContact CD1-CB 4.36Å; I193-V202 HydrophobicContact CD1-CG1 3.92Å; I193-V202 HydrophobicContact CG1-CB 4.43Å; I193-V202 HydrophobicContact CG1-CG1 4.06Å; C196-V202 HydrophobicContact CB-CG2 3.65Å; H198-V202 PolarHBondContact O-N 3.42Å; H198-V202 VanDerWaalsContact O-N 3.17Å; V199-V202 PolarHBondContact O-N 2.79Å; V202-E205 PolarHBondContact O-N 2.81Å; V202-A206 WeakPolarHBondContact O-CB 3.47Å; V202-A206 PolarHBondContact O-N 3.19Å
203	L	98.8	Very high	96.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-40.5	178.3	-66.4	173.5	0	0	0	111.9	I193 V199 D200 K201 A206 Y207 F216 F271 M274 I275 A278	I193-L203 HydrophobicContact CD1-CD2 4.13Å; I193-L203 HydrophobicContact CD1-CG 4.48Å; V199-L203 HydrophobicContact CG1-CD1 4.16Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 VanDerWaalsContact O-CG 3.29Å; V199-L203 WeakPolarHBondContact O-CG 3.42Å; V199-L203 PolarHBondContact O-N 3.01Å; D200-L203 PolarHBondContact O-N 2.84Å; K201-L203 VanDerWaalsContact C-N 3.3Å; K201-L203 PolarHBondContact O-N 3.27Å; L203-A206 PolarHBondContact O-N 3.24Å; L203-Y207 WeakPolarHBondContact O-CB 3.38Å; L203-Y207 PolarHBondContact O-N 2.91Å; L203-F216 HydrophobicContact CD2-CE1 3.88Å; L203-F216 HydrophobicContact CD2-CE2 4.11Å; L203-F216 HydrophobicContact CD2-CZ 3.52Å; L203-F271 HydrophobicContact CD1-CE2 4.18Å; L203-F271 HydrophobicContact CD2-CE2 4.4Å; L203-F271 HydrophobicContact CD2-CZ 4.4Å; L203-M274 HydrophobicContact CD1-CB 3.78Å; L203-I275 HydrophobicContact CD1-CG1 4.07Å; L203-I275 HydrophobicContact CD2-CG1 3.77Å; L203-A278 HydrophobicContact CB-CB 3.64Å
204	S	98.6	Very high	97.1	Very high	64 Å²	64	34.8 Å²	34.8	45%	0.448	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-45.2	174.8	-175	0	0	0	0	112.1	D200 K201 Y207 R208	D200-S204 WeakPolarHBondContact O-CB 3.35Å; D200-S204 PolarHBondContact O-N 2.96Å; K201-S204 PolarHBondContact O-N 3.33Å; S204-Y207 WeakPolarHBondContact O-CB 3.41Å; S204-Y207 PolarHBondContact O-N 3.21Å; S204-R208 WeakPolarHBondContact O-CB 3.34Å; S204-R208 PolarHBondContact O-N 3.18Å
205	E	98.8	Very high	97.3	Very high	28 Å²	28	37 Å²	37	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-41.4	176.8	-79.3	-64.9	97.7	0	0	111.8	L177 K201 V202 Y207 R208 V209	L177-E205 WeakPolarHBondContact CA-OE2 3.43Å; L177-E205 WeakPolarHBondContact CB-OE2 3.25Å; L177-E205 HydrophobicContact CD1-CB 3.88Å; L177-E205 HydrophobicContact CG-CB 4.1Å; L177-E205 PolarHBondContact N-OE2 3.06Å; K201-E205 WeakPolarHBondContact O-CB 3.39Å; K201-E205 PolarHBondContact O-N 3.29Å; V202-E205 PolarHBondContact O-N 2.81Å; E205-Y207 VanDerWaalsContact C-N 3.31Å; E205-Y207 PolarHBondContact O-N 2.86Å; E205-R208 PolarHBondContact O-N 2.84Å; E205-R208 IonicContact OE1-CZ 3.17Å; E205-R208 IonicContact OE1-NE 3.23Å; E205-R208 PolarHBondContact OE1-NE 2.98Å; E205-R208 IonicContact OE1-NH2 2.74Å; E205-R208 IonicContact OE2-CZ 3.69Å; E205-R208 IonicContact OE2-NE 3.41Å; E205-R208 PolarHBondContact OE2-NE 3.03Å; E205-R208 IonicContact OE2-NH2 3.29Å; E205-R208 PolarHBondContact OE2-NH2 2.86Å; E205-V209 WeakPolarHBondContact O-CG1 3.46Å; E205-V209 WeakPolarHBondContact O-CG2 3.45Å; E205-V209 PolarHBondContact O-N 3.3Å
206	A	98.8	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-43.9	172.6	0	0	0	0	0	111.4	Y187 V202 L203 L210 F216 F280	Y187-A206 HydrophobicContact CD1-CB 4.02Å; Y187-A206 HydrophobicContact CD2-CB 3.75Å; Y187-A206 HydrophobicContact CE1-CB 3.97Å; Y187-A206 HydrophobicContact CE2-CB 3.69Å; Y187-A206 HydrophobicContact CG-CB 3.91Å; V202-A206 WeakPolarHBondContact O-CB 3.47Å; V202-A206 PolarHBondContact O-N 3.19Å; L203-A206 PolarHBondContact O-N 3.24Å; A206-L210 WeakPolarHBondContact O-CB 3.44Å; A206-L210 WeakPolarHBondContact O-CD1 3.34Å; A206-L210 WeakPolarHBondContact O-CG 3.24Å; A206-L210 PolarHBondContact O-N 3.44Å; A206-F216 HydrophobicContact CB-CD2 3.77Å; A206-F216 HydrophobicContact CB-CE2 4.02Å; A206-F280 HydrophobicContact CB-CZ 4.32Å
207	Y	98.8	Very high	97.9	Very high	65 Å²	65	35.2 Å²	35.2	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-43	175.9	-173.4	-94.5	0	0	0	112.1	L203 S204 E205 G279 F280 K300	L203-Y207 WeakPolarHBondContact O-CB 3.38Å; L203-Y207 PolarHBondContact O-N 2.91Å; S204-Y207 WeakPolarHBondContact O-CB 3.41Å; S204-Y207 PolarHBondContact O-N 3.21Å; E205-Y207 VanDerWaalsContact C-N 3.31Å; E205-Y207 PolarHBondContact O-N 2.86Å; Y207-G279 WeakPolarHBondContact CE2-O 3.44Å; Y207-F280 HydrophobicContact CD2-CD1 4.02Å; Y207-F280 HydrophobicContact CD2-CD2 4.05Å; Y207-F280 AromaticContact CD2-CE1 3.94Å; Y207-F280 HydrophobicContact CD2-CE1 3.94Å; Y207-F280 HydrophobicContact CD2-CE2 4Å; Y207-F280 HydrophobicContact CD2-CG 4.08Å; Y207-F280 AromaticContact CD2-CZ 3.95Å; Y207-F280 HydrophobicContact CD2-CZ 3.95Å; Y207-F280 HydrophobicContact CG-CE2 4.38Å; Y207-F280 HydrophobicContact CG-CZ 4.37Å; Y207-K300 HydrophobicContact CD2-CB 4.25Å; Y207-K300 HydrophobicContact CD2-CD 4.25Å; Y207-K300 HydrophobicContact CD2-CG 4.21Å; Y207-K300 HydrophobicContact CE1-CD 4.32Å; Y207-K300 HydrophobicContact CE2-CB 3.89Å; Y207-K300 HydrophobicContact CE2-CD 3.99Å; Y207-K300 HydrophobicContact CE2-CG 3.58Å; Y207-K300 WeakPolarHBondContact O-CD 3.32Å; Y207-K300 PolarHBondContact O-NZ 2.95Å
208	R	98.7	Very high	98.2	Very high	55 Å²	55	34 Å²	34	21%	0.208	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-49.8	-179.4	-174	-177	64.6	73.8	0.3	112.1	L177 F179 D181 A182 S204 E205 L210	L177-R208 PolarHBondContact O-NH2 3.18Å; L177-R208 VanDerWaalsContact O-NH2 3.07Å; F179-R208 PolarHBondContact O-NH1 2.8Å; F179-R208 PolarHBondContact O-NH2 3.01Å; D181-R208 WeakPolarHBondContact CA-O 3.34Å; D181-R208 HydrophobicContact CB-CG 4.39Å; D181-R208 VanDerWaalsContact OD1-CD 3.24Å; D181-R208 WeakPolarHBondContact OD1-CD 3.4Å; D181-R208 WeakPolarHBondContact OD1-CG 3.31Å; D181-R208 IonicContact OD1-CZ 3.71Å; D181-R208 IonicContact OD1-NE 3.71Å; D181-R208 IonicContact OD1-NH1 3.23Å; D181-R208 PolarHBondContact OD1-NH1 2.88Å; A182-R208 PolarHBondContact N-O 3.37Å; S204-R208 WeakPolarHBondContact O-CB 3.34Å; S204-R208 PolarHBondContact O-N 3.18Å; E205-R208 PolarHBondContact O-N 2.84Å; E205-R208 IonicContact OE1-CZ 3.17Å; E205-R208 IonicContact OE1-NE 3.23Å; E205-R208 PolarHBondContact OE1-NE 2.98Å; E205-R208 IonicContact OE1-NH2 2.74Å; E205-R208 IonicContact OE2-CZ 3.69Å; E205-R208 IonicContact OE2-NE 3.41Å; E205-R208 PolarHBondContact OE2-NE 3.03Å; E205-R208 IonicContact OE2-NH2 3.29Å; E205-R208 PolarHBondContact OE2-NH2 2.86Å; R208-L210 VanDerWaalsContact C-N 3.31Å; R208-L210 PolarHBondContact O-N 3.29Å
209	V	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-76.1	-17.3	-174.9	-56.9	0	0	0	0	113.5	L105 L177 F179 A182 S183 F184 Y187 E205	L105-V209 HydrophobicContact CD2-CG2 4.07Å; L177-V209 HydrophobicContact CB-CG1 4.29Å; L177-V209 HydrophobicContact CD1-CG1 3.9Å; L177-V209 HydrophobicContact CD1-CG2 4.08Å; F179-V209 HydrophobicContact CB-CG1 4.03Å; A182-V209 CarbonylContact C-O 3.57Å; A182-V209 WeakPolarHBondContact CA-O 3.43Å; A182-V209 PolarHBondContact N-O 2.88Å; S183-V209 PolarHBondContact N-O 2.86Å; F184-V209 HydrophobicContact CD2-CB 4.04Å; F184-V209 HydrophobicContact CD2-CG2 4.11Å; F184-V209 PolarHBondContact N-O 2.83Å; Y187-V209 HydrophobicContact CD2-CG2 4.1Å; E205-V209 WeakPolarHBondContact O-CG1 3.46Å; E205-V209 WeakPolarHBondContact O-CG2 3.45Å; E205-V209 PolarHBondContact O-N 3.3Å
210	L	98.8	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.5	174	-79.1	171.2	0	0	0	112.2	A182 F184 A206 R208 F216 F280 K300	A182-L210 WeakPolarHBondContact CA-O 3.35Å; F184-L210 HydrophobicContact CB-CD2 4.46Å; F184-L210 CarbonylContact O-C 3.58Å; F184-L210 WeakPolarHBondContact O-CA 3.46Å; A206-L210 WeakPolarHBondContact O-CB 3.44Å; A206-L210 WeakPolarHBondContact O-CD1 3.34Å; A206-L210 WeakPolarHBondContact O-CG 3.24Å; A206-L210 PolarHBondContact O-N 3.44Å; R208-L210 VanDerWaalsContact C-N 3.31Å; R208-L210 PolarHBondContact O-N 3.29Å; L210-F216 HydrophobicContact CD1-CB 4.03Å; L210-F280 HydrophobicContact CD1-CE1 3.61Å; L210-F280 HydrophobicContact CD1-CZ 3.94Å; L210-K300 HydrophobicContact CB-CD 4.07Å; L210-K300 VanDerWaalsContact O-CD 3.3Å; L210-K300 WeakPolarHBondContact O-CD 3.47Å; L210-K300 WeakPolarHBondContact O-CE 3.1Å; L210-K300 PolarHBondContact O-NZ 2.72Å
211	Q	98.6	Very high	98	Very high	66 Å²	66	28.5 Å²	28.5	31%	0.308	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	156.6	168.6	-69.5	176.3	-4.5	0	0	110.9	A182 F184 G213 G214	A182-Q211 VanDerWaalsContact C-CG 3.49Å; A182-Q211 HydrophobicContact CB-CG 3.94Å; A182-Q211 WeakPolarHBondContact O-CG 3.38Å; A182-Q211 PolarHBondContact O-NE2 2.88Å; F184-Q211 WeakPolarHBondContact O-CG 3.36Å; F184-Q211 PolarHBondContact O-N 2.88Å; Q211-G213 PolarHBondContact O-N 2.89Å; Q211-G214 VanDerWaalsContact O-CA 3.3Å; Q211-G214 WeakPolarHBondContact O-CA 3.46Å; Q211-G214 PolarHBondContact O-N 2.96Å
212	P	98.4	Very high	97.5	Very high	98 Å²	98	24.6 Å²	24.6	64%	0.636	14%	0.138	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	135.3	161.3	-23.5	34.6	0	0	0	110.9	G214	P212-G214 PolarHBondContact O-N 3.43Å
213	G	97.8	Very high	96.8	Very high	50 Å²	50	26.3 Å²	26.3	52%	0.515	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-4.3	-167.6	0	0	0	0	0	114.9	Q211 K300	Q211-G213 PolarHBondContact O-N 2.89Å; G213-K300 WeakPolarHBondContact CA-O 3.41Å; G213-K300 PolarHBondContact N-O 3.25Å
214	G	98.3	Very high	95.8	Very high	2 Å²	2	27 Å²	27	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.8	-178.8	0	0	0	0	0	112.9	T185 Q211 P212 F299 K300	T185-G214 WeakPolarHBondContact O-CA 3.48Å; Q211-G214 VanDerWaalsContact O-CA 3.3Å; Q211-G214 WeakPolarHBondContact O-CA 3.46Å; Q211-G214 PolarHBondContact O-N 2.96Å; P212-G214 PolarHBondContact O-N 3.43Å; G214-F299 WeakPolarHBondContact O-CA 3.49Å; G214-K300 PolarHBondContact O-N 2.72Å
215	R	98.6	Very high	94.6	Very high	56 Å²	56	28.7 Å²	28.7	21%	0.211	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.9	-174.4	-168.5	-178.6	-178.3	-174.6	-3.5	112.4	R95 T185 A186 Y187 M217 S297 F299	R95-R215 PolarHBondContact O-NH1 3.15Å; R95-R215 PolarHBondContact O-NH2 3.32Å; T185-R215 PolarHBondContact O-N 2.93Å; A186-R215 CarbonylContact C-O 3.59Å; A186-R215 VanDerWaalsContact CA-O 3.32Å; A186-R215 WeakPolarHBondContact CA-O 3.15Å; Y187-R215 PolarHBondContact N-O 3.42Å; R215-M217 HydrophobicContact CG-CG 4.14Å; R215-M217 PolarHBondContact NE-SD 3.17Å; R215-S297 PolarHBondContact NE-OG 2.89Å; R215-S297 PolarHBondContact NH2-OG 3.42Å; R215-S297 VanDerWaalsContact NH2-OG 3.12Å; R215-F299 HydrophobicContact CB-CD1 3.92Å; R215-F299 HydrophobicContact CB-CE1 3.83Å; R215-F299 HydrophobicContact CG-CD1 3.97Å; R215-F299 HydrophobicContact CG-CE1 3.65Å; R215-F299 HydrophobicContact CG-CZ 3.98Å
216	F	98.8	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.1	166.3	171.2	-97.9	0	0	0	110.1	Y187 I189 L203 A206 L210 C218 I275 F280 S297 G298	Y187-F216 AromaticContact CD1-CD2 3.44Å; Y187-F216 HydrophobicContact CD1-CD2 3.44Å; Y187-F216 VanDerWaalsContact CD1-CD2 3.44Å; Y187-F216 AromaticContact CD1-CE2 3.6Å; Y187-F216 HydrophobicContact CD1-CE2 3.6Å; Y187-F216 HydrophobicContact CE1-CD2 4.01Å; Y187-F216 AromaticContact CE1-CE2 3.69Å; Y187-F216 HydrophobicContact CE1-CE2 3.69Å; Y187-F216 HydrophobicContact CG-CD2 4.09Å; I189-F216 HydrophobicContact CG2-CE2 4.04Å; I189-F216 HydrophobicContact CG2-CZ 4.12Å; L203-F216 HydrophobicContact CD2-CE1 3.88Å; L203-F216 HydrophobicContact CD2-CE2 4.11Å; L203-F216 HydrophobicContact CD2-CZ 3.52Å; A206-F216 HydrophobicContact CB-CD2 3.77Å; A206-F216 HydrophobicContact CB-CE2 4.02Å; L210-F216 HydrophobicContact CD1-CB 4.03Å; F216-C218 HydrophobicContact CE1-CB 3.83Å; F216-C218 HydrophobicContact CZ-CB 3.74Å; F216-I275 HydrophobicContact CD1-CG2 4.26Å; F216-I275 HydrophobicContact CE1-CD1 3.94Å; F216-I275 HydrophobicContact CE1-CG1 4.07Å; F216-F280 HydrophobicContact CB-CD1 3.98Å; F216-F280 HydrophobicContact CB-CE1 3.35Å; F216-F280 HydrophobicContact CB-CE2 4.28Å; F216-F280 HydrophobicContact CB-CZ 3.51Å; F216-F280 HydrophobicContact CD2-CZ 4.34Å; F216-F280 HydrophobicContact CG-CE1 4.26Å; F216-F280 HydrophobicContact CG-CE2 4.36Å; F216-F280 AromaticContact CG-CZ 3.97Å; F216-F280 HydrophobicContact CG-CZ 3.97Å; F216-S297 VanDerWaalsContact O-CA 3.29Å; F216-S297 WeakPolarHBondContact O-CA 3.48Å; F216-G298 PolarHBondContact N-O 3Å; F216-G298 PolarHBondContact O-N 2.9Å
217	M	98.7	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.8	172.2	-71.1	-174.2	64.3	0	0	111.8	F92 R95 L96 Y187 T188 I189 R215 I295 H296	F92-M217 HydrophobicContact CD2-CE 3.9Å; F92-M217 HydrophobicContact CE2-CB 3.72Å; F92-M217 HydrophobicContact CE2-CE 3.89Å; F92-M217 HydrophobicContact CZ-CB 3.93Å; R95-M217 HydrophobicContact CB-CE 3.73Å; L96-M217 WeakPolarHBondContact CA-SD 3.06Å; L96-M217 HydrophobicContact CB-CE 4.46Å; L96-M217 HydrophobicContact CB-SD 3.81Å; L96-M217 HydrophobicContact CD1-SD 3.76Å; L96-M217 HydrophobicContact CG-SD 4.42Å; Y187-M217 PolarHBondContact O-N 3.45Å; T188-M217 WeakPolarHBondContact CA-O 3.44Å; T188-M217 HydrophobicContact CG2-CB 4.43Å; I189-M217 PolarHBondContact N-O 3.29Å; R215-M217 HydrophobicContact CG-CG 4.14Å; R215-M217 PolarHBondContact NE-SD 3.17Å; M217-I295 HydrophobicContact CE-CG2 3.62Å; M217-H296 CarbonylContact C-O 3.45Å; M217-H296 WeakPolarHBondContact CA-O 3.45Å
218	C	98.7	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.7	177.6	179.1	0	0	0	0	110	I189 F216 F271 I295 H296	I189-C218 HydrophobicContact CG2-CB 3.9Å; I189-C218 CarbonylContact O-C 3.11Å; I189-C218 VanDerWaalsContact O-CA 3.28Å; I189-C218 WeakPolarHBondContact O-CA 3.23Å; F216-C218 HydrophobicContact CE1-CB 3.83Å; F216-C218 HydrophobicContact CZ-CB 3.74Å; C218-F271 HydrophobicContact CB-CE1 4.07Å; C218-F271 HydrophobicContact CB-CZ 4.33Å; C218-I295 CarbonylContact O-C 3.55Å; C218-I295 VanDerWaalsContact O-CA 3.29Å; C218-I295 WeakPolarHBondContact O-CA 3.22Å; C218-H296 HydrophobicContact CB-CB 4.37Å; C218-H296 PolarHBondContact N-O 2.85Å; C218-H296 PolarHBondContact O-N 2.84Å
219	L	97.8	Very high	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.4	168.7	-179.5	73.3	0	0	0	108	K89 F92 I189 A190 F191 L288 V293 I295	K89-L219 HydrophobicContact CG-CD2 4.2Å; F92-L219 HydrophobicContact CB-CD1 4.35Å; F92-L219 HydrophobicContact CB-CD2 4.02Å; F92-L219 HydrophobicContact CD1-CB 4.32Å; F92-L219 HydrophobicContact CD1-CD2 4.49Å; F92-L219 HydrophobicContact CD2-CB 3.65Å; F92-L219 HydrophobicContact CD2-CD1 4.34Å; F92-L219 HydrophobicContact CD2-CG 4.43Å; F92-L219 HydrophobicContact CE1-CB 4.39Å; F92-L219 HydrophobicContact CE2-CB 3.71Å; F92-L219 HydrophobicContact CG-CB 3.94Å; F92-L219 HydrophobicContact CG-CD2 4.15Å; F92-L219 HydrophobicContact CG-CG 4.45Å; F92-L219 HydrophobicContact CZ-CB 4.09Å; I189-L219 PolarHBondContact O-N 3.47Å; A190-L219 CarbonylContact C-O 3.38Å; A190-L219 WeakPolarHBondContact CA-O 3.38Å; A190-L219 HydrophobicContact CB-CB 4.07Å; A190-L219 HydrophobicContact CB-CD2 4.31Å; F191-L219 HydrophobicContact CD2-CD2 4.31Å; F191-L219 HydrophobicContact CE1-CG 4.47Å; F191-L219 HydrophobicContact CE2-CD2 3.5Å; F191-L219 HydrophobicContact CE2-CG 4.06Å; F191-L219 HydrophobicContact CZ-CD2 3.75Å; F191-L219 HydrophobicContact CZ-CG 3.91Å; F191-L219 PolarHBondContact N-O 3.24Å; L219-L288 HydrophobicContact CD1-CD1 4.05Å; L219-V293 HydrophobicContact CD1-CG1 3.36Å; L219-V293 HydrophobicContact CG-CG1 3.87Å; L219-I295 HydrophobicContact CD1-CD1 4.34Å; L219-I295 HydrophobicContact CD1-CG1 3.54Å
220	E	95.6	Very high	89.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.5	-178.4	-167.8	53.6	-88.2	0	0	111.8	F191 I193 R194 F265 V293 S294	F191-E220 WeakPolarHBondContact CA-OE2 3.39Å; I193-E220 HydrophobicContact CG2-CG 4.26Å; R194-E220 HydrophobicContact CB-CG 4.43Å; R194-E220 WeakPolarHBondContact CG-OE2 3.45Å; R194-E220 IonicContact CZ-OE1 3.22Å; R194-E220 PolarHBondContact N-OE2 3.04Å; R194-E220 IonicContact NE-OE1 3.53Å; R194-E220 IonicContact NH1-OE1 3.68Å; R194-E220 PolarHBondContact NH1-OE1 2.83Å; R194-E220 IonicContact NH1-OE2 2.68Å; R194-E220 PolarHBondContact NH1-OE2 3.01Å; E220-F265 HydrophobicContact CB-CE1 4.31Å; E220-F265 HydrophobicContact CG-CD1 4.03Å; E220-F265 HydrophobicContact CG-CE1 3.81Å; E220-F265 HydrophobicContact CG-CZ 4.15Å; E220-V293 WeakPolarHBondContact O-CA 3.12Å; E220-V293 WeakPolarHBondContact O-CG1 3.45Å; E220-S294 PolarHBondContact N-O 3.13Å; E220-S294 VanDerWaalsContact N-O 3.09Å; E220-S294 PolarHBondContact O-N 2.92Å
221	F	91.2	Very high	88.9	Confident	25 Å²	25	50.6 Å²	50.6	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141	170	-68.2	-69.9	0	0	0	110.7	W88 F191 L258 I262 V292 V293	W88-F221 HydrophobicContact CZ3-CE1 4.14Å; F191-F221 AromaticContact CD1-CD2 3.69Å; F191-F221 HydrophobicContact CD1-CD2 3.69Å; F191-F221 AromaticContact CD1-CE2 3.53Å; F191-F221 HydrophobicContact CD1-CE2 3.53Å; F191-F221 HydrophobicContact CD1-CG 4.34Å; F191-F221 HydrophobicContact CD1-CZ 4.05Å; F191-F221 HydrophobicContact CE1-CD1 4.28Å; F191-F221 AromaticContact CE1-CD2 3.98Å; F191-F221 HydrophobicContact CE1-CD2 3.98Å; F191-F221 HydrophobicContact CE1-CE1 4.1Å; F191-F221 AromaticContact CE1-CE2 3.8Å; F191-F221 HydrophobicContact CE1-CE2 3.8Å; F191-F221 HydrophobicContact CE1-CG 4.22Å; F191-F221 AromaticContact CE1-CZ 3.86Å; F191-F221 HydrophobicContact CE1-CZ 3.86Å; F191-F221 HydrophobicContact CG-CE2 4.45Å; F221-L258 HydrophobicContact CE2-CD1 4.26Å; F221-I262 HydrophobicContact CB-CB 4.37Å; F221-I262 HydrophobicContact CB-CD1 3.93Å; F221-I262 HydrophobicContact CB-CG1 3.71Å; F221-I262 HydrophobicContact CB-CG2 3.83Å; F221-I262 HydrophobicContact CD1-CD1 4.19Å; F221-I262 HydrophobicContact CD2-CD1 3.68Å; F221-I262 HydrophobicContact CD2-CG1 3.86Å; F221-I262 HydrophobicContact CE2-CD1 4.22Å; F221-I262 HydrophobicContact CG-CD1 3.67Å; F221-I262 HydrophobicContact CG-CG1 3.92Å; F221-V292 WeakPolarHBondContact CA-O 3.41Å; F221-V292 HydrophobicContact CD1-CG1 4.3Å; F221-V293 HydrophobicContact CD1-CG2 3.73Å; F221-V293 HydrophobicContact CE1-CG2 3.97Å
222	S	87	Confident	88	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.035	28%	0.275	C	S	.	.			trans	-131.6	170.4	-178.3	57.9	0	0	0	0	112.3	Q268 G291 V292 S294	S222-Q268 VanDerWaalsContact CB-NE2 3.25Å; S222-Q268 PolarHBondContact OG-NE2 3.22Å; S222-G291 CarbonylContact C-O 3.55Å; S222-G291 PolarHBondContact OG-O 2.76Å; S222-V292 PolarHBondContact N-O 3.17Å; S222-S294 WeakPolarHBondContact CB-OG 3.41Å; S222-S294 PolarHBondContact OG-N 3.19Å
223	H	82.6	Confident	87.1	Confident	37 Å²	37	48.9 Å²	48.9	17%	0.171	25%	0.252	C	S	.	.			trans	-81.5	131	174	-57.6	-99.2	0	0	0	108.4	F265	H223-F265 PolarHBondContact NE2-O 3.42Å
224	L	79.3	Confident	86.3	Confident	16 Å²	16	47.7 Å²	47.7	8%	0.084	23%	0.234	C	C	.	.			trans	-64.3	137.8	176.4	-71.6	156.1	0	0	0	109.5	N226 M229 Q230 Y233 F290 V292	L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.36Å; L224-M229 HydrophobicContact CD1-CB 4.26Å; L224-M229 WeakPolarHBondContact CD1-O 3.44Å; L224-Q230 HydrophobicContact CB-CB 4.02Å; L224-Y233 HydrophobicContact CD1-CD1 4.23Å; L224-Y233 HydrophobicContact CD1-CD2 4.4Å; L224-Y233 HydrophobicContact CD1-CG 3.74Å; L224-F290 HydrophobicContact CD2-CB 4.17Å; L224-F290 VanDerWaalsContact CD2-O 3.24Å; L224-F290 WeakPolarHBondContact CD2-O 3.3Å; L224-V292 HydrophobicContact CD1-CG2 4.46Å; L224-V292 HydrophobicContact CD2-CG2 3.85Å; L224-V292 HydrophobicContact CG-CG2 4.45Å
225	T	73.5	Confident	85.4	Confident	98 Å²	98	50.7 Å²	50.7	60%	0.601	25%	0.248	S	C	*	.	S	Bend	trans	-75.6	-19.6	-177.9	54.7	0	0	0	0	112.9
226	N	78.3	Confident	84.5	Confident	81 Å²	81	51.7 Å²	51.7	43%	0.433	25%	0.252	S	S	.	.	S	Bend	trans	-101.8	122.5	178	179.2	-62.5	0	0	0	110	L224 T228 M229 Q230	L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.36Å; N226-T228 VanDerWaalsContact C-N 3.32Å; N226-T228 PolarHBondContact O-N 3.38Å; N226-T228 WeakPolarHBondContact OD1-CA 3.44Å; N226-T228 VanDerWaalsContact OD1-CB 3.28Å; N226-T228 WeakPolarHBondContact OD1-CB 3.48Å; N226-T228 PolarHBondContact OD1-N 3.42Å; N226-M229 HydrophobicContact CB-CB 4.12Å; N226-M229 HydrophobicContact CB-CG 4.09Å; N226-M229 PolarHBondContact O-N 3.3Å; N226-M229 PolarHBondContact OD1-N 2.82Å; N226-Q230 WeakPolarHBondContact O-CB 3.41Å; N226-Q230 PolarHBondContact O-N 2.72Å
227	E	78.5	Confident	83.6	Confident	174 Å²	174	51.8 Å²	51.8	81%	0.813	25%	0.253	S	S	*	.	H	α-helix	trans	-60.4	-36.9	-176.8	-64	-173.9	167.6	0	0	113.6	Q230 W231	E227-Q230 PolarHBondContact O-N 3.33Å; E227-W231 WeakPolarHBondContact O-CB 3.41Å; E227-W231 PolarHBondContact O-N 2.96Å
228	T	77.9	Confident	82.7	Confident	96 Å²	96	54.9 Å²	54.9	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-66.7	-42.8	177.1	-48.1	0	0	0	0	111.1	N226 W231 L232	N226-T228 VanDerWaalsContact C-N 3.32Å; N226-T228 PolarHBondContact O-N 3.38Å; N226-T228 WeakPolarHBondContact OD1-CA 3.44Å; N226-T228 VanDerWaalsContact OD1-CB 3.28Å; N226-T228 WeakPolarHBondContact OD1-CB 3.48Å; N226-T228 PolarHBondContact OD1-N 3.42Å; T228-W231 PolarHBondContact O-N 3.21Å; T228-L232 WeakPolarHBondContact O-CG 3.4Å; T228-L232 PolarHBondContact O-N 3.23Å
229	M	77.9	Confident	81.7	Confident	74 Å²	74	60.8 Å²	60.8	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-67.6	-39.9	175.7	-67.1	-63.2	-70.7	0	0	111.1	L224 N226 W231 L232 Y233 F290	L224-M229 HydrophobicContact CD1-CB 4.26Å; L224-M229 WeakPolarHBondContact CD1-O 3.44Å; N226-M229 HydrophobicContact CB-CB 4.12Å; N226-M229 HydrophobicContact CB-CG 4.09Å; N226-M229 PolarHBondContact O-N 3.3Å; N226-M229 PolarHBondContact OD1-N 2.82Å; M229-W231 VanDerWaalsContact C-N 3.32Å; M229-W231 PolarHBondContact O-N 2.88Å; M229-L232 PolarHBondContact O-N 3.22Å; M229-L232 HydrophobicContact SD-CD1 4.26Å; M229-Y233 WeakPolarHBondContact O-CB 3.42Å; M229-Y233 PolarHBondContact O-N 3.48Å; M229-F290 HydrophobicContact CE-CD2 4.47Å
230	Q	79.7	Confident	80.8	Confident	34 Å²	34	63.3 Å²	63.3	16%	0.159	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-47.2	174.1	-176.4	59.4	48.7	0	0	110.5	L224 N226 E227 L232 Y233 D234	L224-Q230 HydrophobicContact CB-CB 4.02Å; N226-Q230 WeakPolarHBondContact O-CB 3.41Å; N226-Q230 PolarHBondContact O-N 2.72Å; E227-Q230 PolarHBondContact O-N 3.33Å; Q230-L232 PolarHBondContact O-N 3.03Å; Q230-Y233 PolarHBondContact O-N 3.48Å; Q230-D234 VanDerWaalsContact NE2-CG 3.28Å; Q230-D234 PolarHBondContact NE2-OD1 3.48Å; Q230-D234 VanDerWaalsContact NE2-OD1 3.08Å; Q230-D234 PolarHBondContact NE2-OD2 2.97Å; Q230-D234 WeakPolarHBondContact O-CB 3.26Å; Q230-D234 PolarHBondContact O-N 3.02Å; Q230-D234 VanDerWaalsContact O-OD2 3.13Å
231	W	79.8	Confident	80	Confident	149 Å²	149	63.7 Å²	63.7	56%	0.564	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-45.4	176.2	180	86.2	0	0	0	112.6	E227 T228 M229 D234 Q235	E227-W231 WeakPolarHBondContact O-CB 3.41Å; E227-W231 PolarHBondContact O-N 2.96Å; T228-W231 PolarHBondContact O-N 3.21Å; M229-W231 VanDerWaalsContact C-N 3.32Å; M229-W231 PolarHBondContact O-N 2.88Å; W231-D234 WeakPolarHBondContact O-CB 3.48Å; W231-D234 PolarHBondContact O-N 3.45Å; W231-Q235 HydrophobicContact CD2-CG 4.02Å; W231-Q235 HydrophobicContact CE3-CG 4.32Å; W231-Q235 HydrophobicContact CH2-CG 3.95Å; W231-Q235 HydrophobicContact CZ2-CG 3.63Å; W231-Q235 HydrophobicContact CZ3-CG 4.29Å; W231-Q235 WeakPolarHBondContact O-CG 3.35Å; W231-Q235 PolarHBondContact O-N 3.2Å
232	L	79.8	Confident	79.4	Confident	90 Å²	90	62.7 Å²	62.7	47%	0.471	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-45.5	177.4	-75.8	169.3	0	0	0	111.9	T228 M229 Q230 D234 Q235 Y236	T228-L232 WeakPolarHBondContact O-CG 3.4Å; T228-L232 PolarHBondContact O-N 3.23Å; M229-L232 PolarHBondContact O-N 3.22Å; M229-L232 HydrophobicContact SD-CD1 4.26Å; Q230-L232 PolarHBondContact O-N 3.03Å; L232-D234 VanDerWaalsContact C-N 3.28Å; L232-D234 PolarHBondContact O-N 3.46Å; L232-Q235 PolarHBondContact O-N 3.3Å; L232-Y236 WeakPolarHBondContact O-CB 3.5Å; L232-Y236 PolarHBondContact O-N 3.07Å
233	Y	80.2	Confident	79	Confident	38 Å²	38	65 Å²	65	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-36.7	175.7	179.7	-99.4	0	0	0	111.7	L224 M229 Q230 Y236 S237 V292	L224-Y233 HydrophobicContact CD1-CD1 4.23Å; L224-Y233 HydrophobicContact CD1-CD2 4.4Å; L224-Y233 HydrophobicContact CD1-CG 3.74Å; M229-Y233 WeakPolarHBondContact O-CB 3.42Å; M229-Y233 PolarHBondContact O-N 3.48Å; Q230-Y233 PolarHBondContact O-N 3.48Å; Y233-Y236 PolarHBondContact O-N 3.16Å; Y233-S237 WeakPolarHBondContact O-CB 3.24Å; Y233-S237 PolarHBondContact O-N 3.42Å; Y233-S237 PolarHBondContact O-OG 3.1Å; Y233-V292 HydrophobicContact CD2-CG2 4.34Å; Y233-V292 HydrophobicContact CE2-CG1 3.85Å; Y233-V292 HydrophobicContact CE2-CG2 4.44Å
234	D	80	Confident	78.7	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.134	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-44	176.1	-78.1	-37.1	0	0	0	112	Q230 W231 L232 S237 F238 R263	Q230-D234 VanDerWaalsContact NE2-CG 3.28Å; Q230-D234 PolarHBondContact NE2-OD1 3.48Å; Q230-D234 VanDerWaalsContact NE2-OD1 3.08Å; Q230-D234 PolarHBondContact NE2-OD2 2.97Å; Q230-D234 WeakPolarHBondContact O-CB 3.26Å; Q230-D234 PolarHBondContact O-N 3.02Å; Q230-D234 VanDerWaalsContact O-OD2 3.13Å; W231-D234 WeakPolarHBondContact O-CB 3.48Å; W231-D234 PolarHBondContact O-N 3.45Å; L232-D234 VanDerWaalsContact C-N 3.28Å; L232-D234 PolarHBondContact O-N 3.46Å; D234-S237 WeakPolarHBondContact CA-OG 3.44Å; D234-S237 PolarHBondContact O-OG 3.11Å; D234-F238 WeakPolarHBondContact O-CD2 3.33Å; D234-F238 PolarHBondContact O-N 3.32Å; D234-R263 IonicContact OD1-CZ 3.52Å; D234-R263 IonicContact OD1-NE 2.63Å; D234-R263 PolarHBondContact OD1-NE 2.98Å; D234-R263 IonicContact OD1-NH2 3.47Å; D234-R263 PolarHBondContact OD1-NH2 3.49Å; D234-R263 IonicContact OD2-NH2 2.79Å; D234-R263 PolarHBondContact OD2-NH2 3.21Å
235	Q	79.4	Confident	78.5	Confident	66 Å²	66	65 Å²	65	31%	0.308	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-47.2	174.1	-65.1	-49.1	-68.4	0	0	110.9	W231 L232 Q239	W231-Q235 HydrophobicContact CD2-CG 4.02Å; W231-Q235 HydrophobicContact CE3-CG 4.32Å; W231-Q235 HydrophobicContact CH2-CG 3.95Å; W231-Q235 HydrophobicContact CZ2-CG 3.63Å; W231-Q235 HydrophobicContact CZ3-CG 4.29Å; W231-Q235 WeakPolarHBondContact O-CG 3.35Å; W231-Q235 PolarHBondContact O-N 3.2Å; L232-Q235 PolarHBondContact O-N 3.3Å; Q235-Q239 WeakPolarHBondContact O-CB 3.38Å; Q235-Q239 WeakPolarHBondContact O-CG 3.23Å; Q235-Q239 PolarHBondContact O-N 3.37Å
236	Y	79.6	Confident	78.8	Confident	76 Å²	76	64.6 Å²	64.6	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-48.5	177.8	177.4	-100.7	0	0	0	111.7	M80 L232 Y233 V240 I241	M80-Y236 PolarHBondContact O-OH 2.91Å; L232-Y236 WeakPolarHBondContact O-CB 3.5Å; L232-Y236 PolarHBondContact O-N 3.07Å; Y233-Y236 PolarHBondContact O-N 3.16Å; Y236-V240 HydrophobicContact CD2-CB 3.85Å; Y236-V240 HydrophobicContact CD2-CG1 4.16Å; Y236-V240 HydrophobicContact CD2-CG2 3.8Å; Y236-V240 HydrophobicContact CE2-CB 3.91Å; Y236-V240 HydrophobicContact CE2-CG1 3.72Å; Y236-V240 HydrophobicContact CE2-CG2 4.22Å; Y236-V240 HydrophobicContact CG-CB 4.45Å; Y236-V240 WeakPolarHBondContact O-CA 3.19Å; Y236-V240 WeakPolarHBondContact O-CB 3.49Å; Y236-V240 PolarHBondContact O-N 3.43Å; Y236-I241 HydrophobicContact CD1-CD1 4.25Å; Y236-I241 HydrophobicContact CD1-CG1 4.26Å; Y236-I241 HydrophobicContact CE1-CD1 4.04Å; Y236-I241 HydrophobicContact CE1-CG1 3.92Å; Y236-I241 PolarHBondContact O-N 3.46Å
237	S	80.1	Confident	78.8	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-46.6	-176.7	57.9	0	0	0	0	112.3	Y233 D234 I241 P242 V259	Y233-S237 WeakPolarHBondContact O-CB 3.24Å; Y233-S237 PolarHBondContact O-N 3.42Å; Y233-S237 PolarHBondContact O-OG 3.1Å; D234-S237 WeakPolarHBondContact CA-OG 3.44Å; D234-S237 PolarHBondContact O-OG 3.11Å; S237-I241 WeakPolarHBondContact O-CB 3.23Å; S237-I241 PolarHBondContact O-N 2.92Å; S237-P242 WeakPolarHBondContact O-CD 3.29Å; S237-V259 WeakPolarHBondContact O-CG2 3.22Å
238	F	79.7	Confident	78.6	Confident	66 Å²	66	64.1 Å²	64.1	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-75.2	-33.4	-179.5	-83.1	-89.1	0	0	0	114	F50 D234 V259	F50-F238 AromaticContact CE2-CE1 3.91Å; F50-F238 HydrophobicContact CE2-CE1 3.91Å; F50-F238 AromaticContact CE2-CZ 3.85Å; F50-F238 HydrophobicContact CE2-CZ 3.85Å; F50-F238 HydrophobicContact CZ-CE1 4.35Å; F50-F238 AromaticContact CZ-CZ 3.82Å; F50-F238 HydrophobicContact CZ-CZ 3.82Å; D234-F238 WeakPolarHBondContact O-CD2 3.33Å; D234-F238 PolarHBondContact O-N 3.32Å; F238-V259 HydrophobicContact CD1-CG1 4.33Å; F238-V259 HydrophobicContact CD2-CG1 3.64Å; F238-V259 HydrophobicContact CE1-CG1 4.08Å; F238-V259 HydrophobicContact CE2-CG1 3.28Å; F238-V259 HydrophobicContact CG-CG1 4.14Å; F238-V259 HydrophobicContact CZ-CG1 3.56Å
239	Q	78.7	Confident	78.3	Confident	124 Å²	124	60.5 Å²	60.5	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-98.6	-21.2	-172	-59.1	178.5	-4.1	0	0	113.8	Q235 P243	Q235-Q239 WeakPolarHBondContact O-CB 3.38Å; Q235-Q239 WeakPolarHBondContact O-CG 3.23Å; Q235-Q239 PolarHBondContact O-N 3.37Å; Q239-P243 VanDerWaalsContact O-CG 3.29Å; Q239-P243 WeakPolarHBondContact O-CG 3.35Å
240	V	78.8	Confident	78.4	Confident	52 Å²	52	59.1 Å²	59.1	32%	0.315	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-42.8	-174.2	-174.2	0	0	0	0	111.7	Y236 P243 M244	Y236-V240 HydrophobicContact CD2-CB 3.85Å; Y236-V240 HydrophobicContact CD2-CG1 4.16Å; Y236-V240 HydrophobicContact CD2-CG2 3.8Å; Y236-V240 HydrophobicContact CE2-CB 3.91Å; Y236-V240 HydrophobicContact CE2-CG1 3.72Å; Y236-V240 HydrophobicContact CE2-CG2 4.22Å; Y236-V240 HydrophobicContact CG-CB 4.45Å; Y236-V240 WeakPolarHBondContact O-CA 3.19Å; Y236-V240 WeakPolarHBondContact O-CB 3.49Å; Y236-V240 PolarHBondContact O-N 3.43Å; V240-P243 WeakPolarHBondContact O-CD 3.42Å; V240-M244 HydrophobicContact CG1-CE 3.82Å; V240-M244 WeakPolarHBondContact O-CB 3.39Å; V240-M244 PolarHBondContact O-N 2.85Å
241	I	79.4	Confident	78.3	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-50.7	-173.1	-63.3	178.9	0	0	0	112.3	M80 Y236 S237 M244 G245 Y255 V259	M80-I241 HydrophobicContact CG-CG2 4.2Å; M80-I241 HydrophobicContact SD-CG2 3.52Å; M80-I241 VanDerWaalsContact SD-CG2 3.52Å; Y236-I241 HydrophobicContact CD1-CD1 4.25Å; Y236-I241 HydrophobicContact CD1-CG1 4.26Å; Y236-I241 HydrophobicContact CE1-CD1 4.04Å; Y236-I241 HydrophobicContact CE1-CG1 3.92Å; Y236-I241 PolarHBondContact O-N 3.46Å; S237-I241 WeakPolarHBondContact O-CB 3.23Å; S237-I241 PolarHBondContact O-N 2.92Å; I241-M244 PolarHBondContact O-N 2.92Å; I241-G245 PolarHBondContact O-N 3.43Å; I241-Y255 HydrophobicContact CG2-CD1 3.74Å; I241-Y255 HydrophobicContact CG2-CG 4.43Å; I241-V259 HydrophobicContact CB-CG2 4.15Å; I241-V259 HydrophobicContact CD1-CG2 4.31Å; I241-V259 HydrophobicContact CG2-CG2 4.09Å
242	P	76.7	Confident	78.3	Confident	4 Å²	4	56 Å²	56	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-45.1	178.5	-19.9	29.2	0	0	0	114.3	S237 M244 G245 Q246 W252	S237-P242 WeakPolarHBondContact O-CD 3.29Å; P242-M244 VanDerWaalsContact C-N 3.3Å; P242-M244 PolarHBondContact O-N 3.24Å; P242-G245 PolarHBondContact O-N 3.31Å; P242-Q246 PolarHBondContact O-N 2.86Å; P242-W252 HydrophobicContact CB-CD2 3.77Å; P242-W252 HydrophobicContact CB-CE3 3.97Å; P242-W252 HydrophobicContact CB-CG 4.44Å; P242-W252 HydrophobicContact CB-CH2 3.9Å; P242-W252 HydrophobicContact CB-CZ2 3.67Å; P242-W252 HydrophobicContact CB-CZ3 4.06Å
243	P	79.7	Confident	78.4	Confident	53 Å²	53	58.2 Å²	58.2	34%	0.344	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-38.1	173.2	-24.5	33.6	0	0	0	113.5	Q239 V240 Q246 L247 W252	Q239-P243 VanDerWaalsContact O-CG 3.29Å; Q239-P243 WeakPolarHBondContact O-CG 3.35Å; V240-P243 WeakPolarHBondContact O-CD 3.42Å; P243-Q246 PolarHBondContact O-N 3.48Å; P243-L247 WeakPolarHBondContact O-CB 3.34Å; P243-L247 PolarHBondContact O-N 3.2Å; P243-W252 VanDerWaalsContact CA-CZ3 3.49Å; P243-W252 HydrophobicContact CB-CZ3 3.94Å; P243-W252 HydrophobicContact CG-CH2 3.7Å; P243-W252 HydrophobicContact CG-CZ3 3.51Å; P243-W252 VanDerWaalsContact N-CZ3 3.34Å
244	M	76.3	Confident	78.3	Confident	52 Å²	52	56.7 Å²	56.7	26%	0.256	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.1	-173.6	-179.7	-67.6	0	0	111.5	A79 V240 I241 P242 Q246 L247 L248	A79-M244 HydrophobicContact CB-SD 4.22Å; V240-M244 HydrophobicContact CG1-CE 3.82Å; V240-M244 WeakPolarHBondContact O-CB 3.39Å; V240-M244 PolarHBondContact O-N 2.85Å; I241-M244 PolarHBondContact O-N 2.92Å; P242-M244 VanDerWaalsContact C-N 3.3Å; P242-M244 PolarHBondContact O-N 3.24Å; M244-Q246 VanDerWaalsContact C-N 3.34Å; M244-Q246 PolarHBondContact O-N 3.32Å; M244-L247 PolarHBondContact O-N 3.2Å; M244-L248 HydrophobicContact CG-CD1 3.65Å; M244-L248 HydrophobicContact CG-CG 4.19Å; M244-L248 WeakPolarHBondContact O-CB 3.48Å; M244-L248 WeakPolarHBondContact O-CG 3.33Å; M244-L248 PolarHBondContact O-N 3.39Å; M244-L248 HydrophobicContact SD-CD1 4.31Å
245	G	74.3	Confident	78.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-40.8	173.6	0	0	0	0	0	112.6	I241 P242 A249 G250 Q251	I241-G245 PolarHBondContact O-N 3.43Å; P242-G245 PolarHBondContact O-N 3.31Å; G245-A249 CarbonylContact O-C 3.56Å; G245-A249 WeakPolarHBondContact O-CA 3.3Å; G245-A249 WeakPolarHBondContact O-CB 3.19Å; G245-A249 PolarHBondContact O-N 2.68Å; G245-G250 PolarHBondContact O-N 2.78Å; G245-G250 VanDerWaalsContact O-N 3.1Å; G245-Q251 CarbonylContact C-O 3.58Å; G245-Q251 PolarHBondContact O-N 3.17Å
246	Q	80.9	Confident	78.6	Confident	90 Å²	90	56.1 Å²	56.1	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-42.1	173.6	-176.6	59.8	43.3	0	0	112.4	P242 P243 M244 G250 W252	P242-Q246 PolarHBondContact O-N 2.86Å; P243-Q246 PolarHBondContact O-N 3.48Å; M244-Q246 VanDerWaalsContact C-N 3.34Å; M244-Q246 PolarHBondContact O-N 3.32Å; Q246-G250 WeakPolarHBondContact O-CA 3.21Å; Q246-G250 PolarHBondContact O-N 3.32Å; Q246-G250 VanDerWaalsContact O-N 3.08Å; Q246-W252 HydrophobicContact CB-CB 4.3Å; Q246-W252 HydrophobicContact CB-CE3 3.98Å; Q246-W252 VanDerWaalsContact OE1-N 3.12Å
247	L	76.8	Confident	78.8	Confident	149 Å²	149	52.9 Å²	52.9	78%	0.78	28%	0.275	S	S	*	.	H	α-helix	trans	-71.2	-41.8	-177.2	-175	66.9	0	0	0	112.5	P243 M244	P243-L247 WeakPolarHBondContact O-CB 3.34Å; P243-L247 PolarHBondContact O-N 3.2Å; M244-L247 PolarHBondContact O-N 3.2Å
248	L	74.2	Confident	79	Confident	95 Å²	95	53.9 Å²	53.9	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-93.7	-34.4	-172.9	-61.9	-178.6	0	0	0	113.7	M76 A79 M244	M76-L248 HydrophobicContact CE-CB 3.83Å; M76-L248 HydrophobicContact CE-CD1 4.1Å; M76-L248 HydrophobicContact SD-CB 3.76Å; M76-L248 HydrophobicContact SD-CD1 4.38Å; A79-L248 HydrophobicContact CB-CD1 3.92Å; M244-L248 HydrophobicContact CG-CD1 3.65Å; M244-L248 HydrophobicContact CG-CG 4.19Å; M244-L248 WeakPolarHBondContact O-CB 3.48Å; M244-L248 WeakPolarHBondContact O-CG 3.33Å; M244-L248 PolarHBondContact O-N 3.39Å; M244-L248 HydrophobicContact SD-CD1 4.31Å
249	A	73.1	Confident	79.3	Confident	20 Å²	20	50.9 Å²	50.9	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-118.1	-4.3	-176.1	0	0	0	0	0	113.5	M76 G245 Q251 Y255	M76-A249 HydrophobicContact CG-CB 4.31Å; M76-A249 HydrophobicContact SD-CB 3.9Å; G245-A249 CarbonylContact O-C 3.56Å; G245-A249 WeakPolarHBondContact O-CA 3.3Å; G245-A249 WeakPolarHBondContact O-CB 3.19Å; G245-A249 PolarHBondContact O-N 2.68Å; A249-Q251 WeakPolarHBondContact O-CG 3.33Å; A249-Q251 PolarHBondContact O-N 2.91Å; A249-Y255 HydrophobicContact CB-CE2 4.16Å
250	G	78.4	Confident	79.7	Confident	46 Å²	46	45.8 Å²	45.8	47%	0.474	24%	0.243	S	C	.	.	S	Bend	trans	68.4	17.3	-177	0	0	0	0	0	113.9	G245 Q246	G245-G250 PolarHBondContact O-N 2.78Å; G245-G250 VanDerWaalsContact O-N 3.1Å; Q246-G250 WeakPolarHBondContact O-CA 3.21Å; Q246-G250 PolarHBondContact O-N 3.32Å; Q246-G250 VanDerWaalsContact O-N 3.08Å
251	Q	79.1	Confident	80.1	Confident	29 Å²	29	43.4 Å²	43.4	14%	0.136	23%	0.229	C	C	.	.			trans	-128.2	95.8	-169.8	-69.8	172	21.8	0	0	110.2	Q68 G245 A249 A254 Y255	Q68-Q251 VanDerWaalsContact C-NE2 3.34Å; Q68-Q251 PolarHBondContact O-NE2 2.98Å; G245-Q251 CarbonylContact C-O 3.58Å; G245-Q251 PolarHBondContact O-N 3.17Å; A249-Q251 WeakPolarHBondContact O-CG 3.33Å; A249-Q251 PolarHBondContact O-N 2.91Å; Q251-A254 HydrophobicContact CB-CB 4.2Å; Q251-Y255 HydrophobicContact CB-CD2 4.33Å; Q251-Y255 HydrophobicContact CB-CE2 4.12Å; Q251-Y255 WeakPolarHBondContact O-CD2 3.4Å; Q251-Y255 WeakPolarHBondContact O-CE2 3.45Å
252	W	79.9	Confident	80.5	Confident	88 Å²	88	43.4 Å²	43.4	33%	0.333	23%	0.229	S	C	.	.	H	α-helix	trans	-75	-46.8	174.5	179.8	-81.5	0	0	0	111.9	P242 P243 Q246 A254 Y255 Q256	P242-W252 HydrophobicContact CB-CD2 3.77Å; P242-W252 HydrophobicContact CB-CE3 3.97Å; P242-W252 HydrophobicContact CB-CG 4.44Å; P242-W252 HydrophobicContact CB-CH2 3.9Å; P242-W252 HydrophobicContact CB-CZ2 3.67Å; P242-W252 HydrophobicContact CB-CZ3 4.06Å; P243-W252 VanDerWaalsContact CA-CZ3 3.49Å; P243-W252 HydrophobicContact CB-CZ3 3.94Å; P243-W252 HydrophobicContact CG-CH2 3.7Å; P243-W252 HydrophobicContact CG-CZ3 3.51Å; P243-W252 VanDerWaalsContact N-CZ3 3.34Å; Q246-W252 HydrophobicContact CB-CB 4.3Å; Q246-W252 HydrophobicContact CB-CE3 3.98Å; Q246-W252 VanDerWaalsContact OE1-N 3.12Å; W252-A254 PolarHBondContact O-N 3.31Å; W252-Y255 PolarHBondContact O-N 3.41Å; W252-Q256 PolarHBondContact O-N 2.96Å
253	Q	81.2	Confident	80.9	Confident	136 Å²	136	47.8 Å²	47.8	64%	0.636	25%	0.245	S	C	*	.	H	α-helix	trans	-66.4	-39.2	-168.1	-66.4	76.1	8.5	0	0	112.2	Y255 Q256 Y257	Q253-Y255 VanDerWaalsContact C-N 3.28Å; Q253-Y255 PolarHBondContact O-N 3.4Å; Q253-Q256 PolarHBondContact O-N 2.94Å; Q253-Y257 WeakPolarHBondContact O-CB 3.45Å; Q253-Y257 PolarHBondContact O-N 3.23Å
254	A	79	Confident	81.4	Confident	6 Å²	6	51.7 Å²	51.7	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-38.9	175.8	0	0	0	0	0	112.4	V65 V69 Q251 W252 L258	V65-A254 HydrophobicContact CG1-CB 3.81Å; V69-A254 HydrophobicContact CG1-CB 3.84Å; Q251-A254 HydrophobicContact CB-CB 4.2Å; W252-A254 PolarHBondContact O-N 3.31Å; A254-L258 PolarHBondContact O-N 2.82Å
255	Y	79.8	Confident	82.1	Confident	9 Å²	9	49.8 Å²	49.8	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-83.4	-33.9	-177.3	-72.4	-100.8	0	0	0	112.1	M76 M80 I241 A249 Q251 W252 Q253 Y257 L258 V259	M76-Y255 HydrophobicContact CB-CE1 4.24Å; M76-Y255 WeakPolarHBondContact CB-OH 3.38Å; M76-Y255 WeakPolarHBondContact CG-OH 3.28Å; M76-Y255 PolarHBondContact SD-OH 2.94Å; M80-Y255 HydrophobicContact CE-CD1 4.29Å; M80-Y255 HydrophobicContact CE-CE1 3.81Å; M80-Y255 HydrophobicContact CG-CE1 4.33Å; M80-Y255 HydrophobicContact SD-CD1 3.58Å; M80-Y255 VanDerWaalsContact SD-CD1 3.58Å; M80-Y255 HydrophobicContact SD-CE1 3.56Å; M80-Y255 VanDerWaalsContact SD-CE1 3.56Å; I241-Y255 HydrophobicContact CG2-CD1 3.74Å; I241-Y255 HydrophobicContact CG2-CG 4.43Å; A249-Y255 HydrophobicContact CB-CE2 4.16Å; Q251-Y255 HydrophobicContact CB-CD2 4.33Å; Q251-Y255 HydrophobicContact CB-CE2 4.12Å; Q251-Y255 WeakPolarHBondContact O-CD2 3.4Å; Q251-Y255 WeakPolarHBondContact O-CE2 3.45Å; W252-Y255 PolarHBondContact O-N 3.41Å; Q253-Y255 VanDerWaalsContact C-N 3.28Å; Q253-Y255 PolarHBondContact O-N 3.4Å; Y255-Y257 VanDerWaalsContact C-N 3.32Å; Y255-L258 WeakPolarHBondContact O-CB 3.44Å; Y255-L258 PolarHBondContact O-N 3.48Å; Y255-V259 WeakPolarHBondContact O-CG2 3.47Å; Y255-V259 PolarHBondContact O-N 3.27Å; Y255-V259 VanDerWaalsContact O-N 3.07Å
256	Q	84.3	Confident	83	Confident	70 Å²	70	51 Å²	51	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-47.5	167	-177	175.2	-33.4	0	0	110.2	W252 Q253 L258 V259 E260	W252-Q256 PolarHBondContact O-N 2.96Å; Q253-Q256 PolarHBondContact O-N 2.94Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.24Å; Q256-V259 PolarHBondContact O-N 3.01Å; Q256-E260 HydrophobicContact CG-CG 4.28Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.4Å; Q256-E260 PolarHBondContact NE2-OE1 3.04Å; Q256-E260 WeakPolarHBondContact O-CB 3.46Å; Q256-E260 VanDerWaalsContact O-CG 3.24Å; Q256-E260 WeakPolarHBondContact O-CG 3.43Å; Q256-E260 PolarHBondContact O-N 3.07Å
257	Y	85.1	Confident	83.6	Confident	8 Å²	8	53.2 Å²	53.2	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-43.8	173.8	168.7	-101.1	0	0	0	112.1	F48 V62 V65 N195 Q253 Y255 V259 E260 S261	F48-Y257 HydrophobicContact CD1-CD2 4.04Å; F48-Y257 HydrophobicContact CD1-CE2 4.5Å; F48-Y257 AromaticContact CD2-CD2 3.75Å; F48-Y257 HydrophobicContact CD2-CD2 3.75Å; F48-Y257 AromaticContact CD2-CE2 3.46Å; F48-Y257 HydrophobicContact CD2-CE2 3.46Å; F48-Y257 VanDerWaalsContact CD2-CE2 3.46Å; F48-Y257 AromaticContact CE1-CD2 3.79Å; F48-Y257 HydrophobicContact CE1-CD2 3.79Å; F48-Y257 HydrophobicContact CE1-CE2 4.5Å; F48-Y257 HydrophobicContact CE1-CG 4.32Å; F48-Y257 AromaticContact CE2-CD2 3.46Å; F48-Y257 HydrophobicContact CE2-CD2 3.46Å; F48-Y257 VanDerWaalsContact CE2-CD2 3.46Å; F48-Y257 AromaticContact CE2-CE2 3.44Å; F48-Y257 HydrophobicContact CE2-CE2 3.44Å; F48-Y257 VanDerWaalsContact CE2-CE2 3.44Å; F48-Y257 HydrophobicContact CE2-CG 4.05Å; F48-Y257 HydrophobicContact CG-CD2 4.02Å; F48-Y257 HydrophobicContact CG-CE2 4.02Å; F48-Y257 AromaticContact CZ-CD2 3.5Å; F48-Y257 HydrophobicContact CZ-CD2 3.5Å; F48-Y257 HydrophobicContact CZ-CE2 4.01Å; F48-Y257 AromaticContact CZ-CG 3.83Å; F48-Y257 HydrophobicContact CZ-CG 3.83Å; V62-Y257 WeakPolarHBondContact CG2-OH 3.4Å; V65-Y257 HydrophobicContact CG1-CD1 4.1Å; V65-Y257 HydrophobicContact CG2-CD1 4.44Å; N195-Y257 WeakPolarHBondContact OD1-CE1 3.45Å; N195-Y257 PolarHBondContact OD1-OH 3.44Å; Q253-Y257 WeakPolarHBondContact O-CB 3.45Å; Q253-Y257 PolarHBondContact O-N 3.23Å; Y255-Y257 VanDerWaalsContact C-N 3.32Å; Y257-V259 PolarHBondContact O-N 3.04Å; Y257-E260 PolarHBondContact O-N 2.88Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 3.45Å; Y257-S261 PolarHBondContact O-OG 2.7Å
258	L	84.2	Confident	84.5	Confident	23 Å²	23	46.9 Å²	46.9	12%	0.12	23%	0.226	C	C	.	.	H	α-helix	trans	-53.8	-55	176.3	175.7	66.9	0	0	0	110.9	M80 F221 A254 Y255 Q256 E260 S261 I262	M80-L258 HydrophobicContact CE-CD2 3.75Å; M80-L258 HydrophobicContact SD-CD2 3.6Å; M80-L258 VanDerWaalsContact SD-CD2 3.6Å; F221-L258 HydrophobicContact CE2-CD1 4.26Å; A254-L258 PolarHBondContact O-N 2.82Å; Y255-L258 WeakPolarHBondContact O-CB 3.44Å; Y255-L258 PolarHBondContact O-N 3.48Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.24Å; L258-E260 PolarHBondContact O-N 2.85Å; L258-S261 PolarHBondContact O-N 2.81Å; L258-S261 PolarHBondContact O-OG 3.43Å; L258-I262 HydrophobicContact CD1-CD1 4.39Å; L258-I262 HydrophobicContact CG-CD1 4.36Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.38Å; L258-I262 PolarHBondContact O-N 3.23Å
259	V	84.8	Confident	85.5	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-42.8	-177.9	176.8	0	0	0	0	111.6	S237 F238 I241 Y255 Q256 Y257 I262 R263	S237-V259 WeakPolarHBondContact O-CG2 3.22Å; F238-V259 HydrophobicContact CD1-CG1 4.33Å; F238-V259 HydrophobicContact CD2-CG1 3.64Å; F238-V259 HydrophobicContact CE1-CG1 4.08Å; F238-V259 HydrophobicContact CE2-CG1 3.28Å; F238-V259 HydrophobicContact CG-CG1 4.14Å; F238-V259 HydrophobicContact CZ-CG1 3.56Å; I241-V259 HydrophobicContact CB-CG2 4.15Å; I241-V259 HydrophobicContact CD1-CG2 4.31Å; I241-V259 HydrophobicContact CG2-CG2 4.09Å; Y255-V259 WeakPolarHBondContact O-CG2 3.47Å; Y255-V259 PolarHBondContact O-N 3.27Å; Y255-V259 VanDerWaalsContact O-N 3.07Å; Q256-V259 PolarHBondContact O-N 3.01Å; Y257-V259 PolarHBondContact O-N 3.04Å; V259-I262 PolarHBondContact O-N 2.98Å; V259-R263 PolarHBondContact O-N 3Å
260	E	88	Confident	86.6	Confident	16 Å²	16	49.6 Å²	49.6	8%	0.075	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-39.7	178.3	-67.7	179.2	-177.7	0	0	111.9	G49 F50 Q256 Y257 L258 I262 R263 R264	G49-E260 VanDerWaalsContact CA-CB 3.43Å; G49-E260 VanDerWaalsContact CA-OE2 3.32Å; G49-E260 WeakPolarHBondContact CA-OE2 3.38Å; F50-E260 HydrophobicContact CD1-CB 3.96Å; F50-E260 HydrophobicContact CD1-CG 4.08Å; F50-E260 HydrophobicContact CD2-CB 4.41Å; F50-E260 HydrophobicContact CD2-CG 3.62Å; F50-E260 HydrophobicContact CE1-CB 4.04Å; F50-E260 HydrophobicContact CE1-CG 4.16Å; F50-E260 HydrophobicContact CE2-CB 4.49Å; F50-E260 HydrophobicContact CE2-CG 3.73Å; F50-E260 HydrophobicContact CG-CB 4.16Å; F50-E260 HydrophobicContact CG-CG 3.82Å; F50-E260 HydrophobicContact CZ-CB 4.32Å; F50-E260 HydrophobicContact CZ-CG 4Å; F50-E260 PolarHBondContact N-OE2 3.18Å; Q256-E260 HydrophobicContact CG-CG 4.28Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.4Å; Q256-E260 PolarHBondContact NE2-OE1 3.04Å; Q256-E260 WeakPolarHBondContact O-CB 3.46Å; Q256-E260 VanDerWaalsContact O-CG 3.24Å; Q256-E260 WeakPolarHBondContact O-CG 3.43Å; Q256-E260 PolarHBondContact O-N 3.07Å; Y257-E260 PolarHBondContact O-N 2.88Å; L258-E260 PolarHBondContact O-N 2.85Å; E260-I262 VanDerWaalsContact C-N 3.35Å; E260-I262 PolarHBondContact O-N 3.41Å; E260-R263 PolarHBondContact O-N 2.81Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 3.44Å; E260-R264 VanDerWaalsContact O-N 3.1Å
261	S	87.7	Confident	87.5	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-39.3	179.6	73.1	0	0	0	0	112.1	R194 Y257 L258 R263 R264 F265	R194-S261 WeakPolarHBondContact CD-OG 3.22Å; R194-S261 PolarHBondContact NE-OG 2.66Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 3.45Å; Y257-S261 PolarHBondContact O-OG 2.7Å; L258-S261 PolarHBondContact O-N 2.81Å; L258-S261 PolarHBondContact O-OG 3.43Å; S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.27Å; S261-R264 PolarHBondContact O-N 3.46Å; S261-F265 PolarHBondContact O-N 3.03Å
262	I	86.7	Confident	88.4	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-42.9	176.2	-65.4	168.4	0	0	0	110.2	F221 L258 V259 E260 R264 F265	F221-I262 HydrophobicContact CB-CB 4.37Å; F221-I262 HydrophobicContact CB-CD1 3.93Å; F221-I262 HydrophobicContact CB-CG1 3.71Å; F221-I262 HydrophobicContact CB-CG2 3.83Å; F221-I262 HydrophobicContact CD1-CD1 4.19Å; F221-I262 HydrophobicContact CD2-CD1 3.68Å; F221-I262 HydrophobicContact CD2-CG1 3.86Å; F221-I262 HydrophobicContact CE2-CD1 4.22Å; F221-I262 HydrophobicContact CG-CD1 3.67Å; F221-I262 HydrophobicContact CG-CG1 3.92Å; L258-I262 HydrophobicContact CD1-CD1 4.39Å; L258-I262 HydrophobicContact CG-CD1 4.36Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.38Å; L258-I262 PolarHBondContact O-N 3.23Å; V259-I262 PolarHBondContact O-N 2.98Å; E260-I262 VanDerWaalsContact C-N 3.35Å; E260-I262 PolarHBondContact O-N 3.41Å; I262-R264 VanDerWaalsContact C-N 3.35Å; I262-R264 PolarHBondContact O-N 2.93Å; I262-F265 PolarHBondContact O-N 2.87Å
263	R	86.2	Confident	89.3	Confident	96 Å²	96	46.9 Å²	46.9	36%	0.362	21%	0.211	S	C	.	.	H	α-helix	trans	-70	-30.1	179	-77.8	-170.8	167.5	-175.5	13.1	114	F50 D234 V259 E260 S261	F50-R263 HydrophobicContact CE1-CB 4.12Å; F50-R263 HydrophobicContact CZ-CB 4.38Å; D234-R263 IonicContact OD1-CZ 3.52Å; D234-R263 IonicContact OD1-NE 2.63Å; D234-R263 PolarHBondContact OD1-NE 2.98Å; D234-R263 IonicContact OD1-NH2 3.47Å; D234-R263 PolarHBondContact OD1-NH2 3.49Å; D234-R263 IonicContact OD2-NH2 2.79Å; D234-R263 PolarHBondContact OD2-NH2 3.21Å; V259-R263 PolarHBondContact O-N 3Å; E260-R263 PolarHBondContact O-N 2.81Å; S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.27Å
264	R	88.6	Confident	90.1	Very high	134 Å²	134	42.3 Å²	42.3	51%	0.506	19%	0.19	S	C	.	.	H	α-helix	trans	-79.5	-23.5	176.8	-67.6	-60.1	-58.8	-171.7	-2	112.9	G49 F50 E260 S261 I262	G49-R264 VanDerWaalsContact O-CG 3.3Å; G49-R264 WeakPolarHBondContact O-CG 3.45Å; F50-R264 HydrophobicContact CD1-CG 4.26Å; F50-R264 HydrophobicContact CE1-CG 4.45Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 3.44Å; E260-R264 VanDerWaalsContact O-N 3.1Å; S261-R264 PolarHBondContact O-N 3.46Å; I262-R264 VanDerWaalsContact C-N 3.35Å; I262-R264 PolarHBondContact O-N 2.93Å
265	F	92.6	Very high	91	Very high	13 Å²	13	42 Å²	42	6%	0.057	19%	0.188	C	C	.	.	S	Bend	trans	-64.5	140.1	179.6	-166.3	-110.9	0	0	0	111.1	I193 R194 V199 E220 H223 S261 I262 F271	I193-F265 HydrophobicContact CG2-CE2 3.78Å; I193-F265 HydrophobicContact CG2-CZ 3.67Å; R194-F265 HydrophobicContact CB-CB 4.29Å; R194-F265 HydrophobicContact CB-CD2 3.56Å; R194-F265 HydrophobicContact CB-CE2 4.15Å; R194-F265 HydrophobicContact CB-CG 4.04Å; V199-F265 HydrophobicContact CG2-CE2 4.44Å; E220-F265 HydrophobicContact CB-CE1 4.31Å; E220-F265 HydrophobicContact CG-CD1 4.03Å; E220-F265 HydrophobicContact CG-CE1 3.81Å; E220-F265 HydrophobicContact CG-CZ 4.15Å; H223-F265 PolarHBondContact NE2-O 3.42Å; S261-F265 PolarHBondContact O-N 3.03Å; I262-F265 PolarHBondContact O-N 2.87Å; F265-F271 HydrophobicContact CE1-CD1 4.07Å; F265-F271 HydrophobicContact CE1-CD2 4.3Å; F265-F271 HydrophobicContact CE1-CE1 4.4Å; F265-F271 HydrophobicContact CE1-CG 4.04Å; F265-F271 HydrophobicContact CE2-CD2 4.49Å; F265-F271 HydrophobicContact CE2-CE2 4.45Å; F265-F271 HydrophobicContact CZ-CD1 4.05Å; F265-F271 AromaticContact CZ-CD2 3.71Å; F265-F271 HydrophobicContact CZ-CD2 3.71Å; F265-F271 HydrophobicContact CZ-CE1 4.07Å; F265-F271 AromaticContact CZ-CE2 3.74Å; F265-F271 HydrophobicContact CZ-CE2 3.74Å; F265-F271 AromaticContact CZ-CG 3.91Å; F265-F271 HydrophobicContact CZ-CG 3.91Å; F265-F271 AromaticContact CZ-CZ 3.93Å; F265-F271 HydrophobicContact CZ-CZ 3.93Å
266	P	93.1	Very high	91.9	Very high	26 Å²	26	45.6 Å²	45.6	17%	0.169	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-54.4	147.9	-179.3	-26.5	35.5	0	0	0	112.9	Q270 F271 M274	P266-Q270 HydrophobicContact CB-CB 4.18Å; P266-Q270 HydrophobicContact CB-CG 4.08Å; P266-F271 HydrophobicContact CB-CB 4.2Å; P266-M274 HydrophobicContact CB-SD 4.28Å; P266-M274 HydrophobicContact CG-SD 3.84Å
267	K	93.5	Very high	92.6	Very high	137 Å²	137	49.6 Å²	49.6	60%	0.596	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-64.2	158.5	172.8	-67.4	-172.4	178.2	-174.6	0	110.4	E269 Q270 F271	K267-E269 VanDerWaalsContact C-N 3.32Å; K267-E269 PolarHBondContact O-N 2.86Å; K267-Q270 WeakPolarHBondContact O-CB 3.36Å; K267-Q270 PolarHBondContact O-N 2.84Å; K267-F271 PolarHBondContact O-N 3.28Å
268	Q	94.7	Very high	93.2	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-51.9	-45.8	-172.2	-61.1	175.9	-32.1	0	0	113.6	S222 F271 K272 Y285 N287 H296	S222-Q268 VanDerWaalsContact CB-NE2 3.25Å; S222-Q268 PolarHBondContact OG-NE2 3.22Å; Q268-F271 PolarHBondContact O-N 2.99Å; Q268-K272 WeakPolarHBondContact O-CB 3.45Å; Q268-K272 PolarHBondContact O-N 2.89Å; Q268-Y285 HydrophobicContact CB-CD1 4.46Å; Q268-Y285 HydrophobicContact CB-CD2 4.13Å; Q268-Y285 HydrophobicContact CB-CE1 4.27Å; Q268-Y285 HydrophobicContact CB-CE2 3.93Å; Q268-Y285 HydrophobicContact CB-CG 4.4Å; Q268-N287 PolarHBondContact NE2-OD1 3.48Å; Q268-N287 PolarHBondContact OE1-OD1 2.75Å; Q268-H296 PolarHBondContact O-NE2 3.35Å
269	E	95.3	Very high	93.9	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-70.9	-36.4	179.5	-153.6	64.5	-152.1	0	0	112.4	K267 K272 Q273 Y285	K267-E269 VanDerWaalsContact C-N 3.32Å; K267-E269 PolarHBondContact O-N 2.86Å; E269-K272 WeakPolarHBondContact O-CB 3.48Å; E269-K272 PolarHBondContact O-N 3.34Å; E269-K272 WeakPolarHBondContact OE1-CD 3.42Å; E269-K272 IonicContact OE1-NZ 3.93Å; E269-K272 PolarHBondContact OE1-NZ 2.85Å; E269-Q273 WeakPolarHBondContact O-CG 3.37Å; E269-Q273 PolarHBondContact O-N 2.94Å; E269-Y285 WeakPolarHBondContact OE2-CE1 3.48Å; E269-Y285 VanDerWaalsContact OE2-CZ 3.27Å; E269-Y285 PolarHBondContact OE2-OH 3.01Å
270	Q	96	Very high	94.6	Very high	106 Å²	106	50.8 Å²	50.8	50%	0.495	24%	0.241	S	C	.	.	H	α-helix	trans	-67.8	-42.7	175.4	-174.7	-176.8	0.6	0	0	110.9	P266 K267 K272 Q273 M274	P266-Q270 HydrophobicContact CB-CB 4.18Å; P266-Q270 HydrophobicContact CB-CG 4.08Å; K267-Q270 WeakPolarHBondContact O-CB 3.36Å; K267-Q270 PolarHBondContact O-N 2.84Å; Q270-K272 VanDerWaalsContact C-N 3.34Å; Q270-Q273 WeakPolarHBondContact O-CB 3.48Å; Q270-Q273 PolarHBondContact O-N 2.87Å; Q270-M274 WeakPolarHBondContact O-CG 3.48Å; Q270-M274 PolarHBondContact O-N 3.25Å
271	F	97.6	Very high	95.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-38.4	176.8	-173.2	-126.7	0	0	0	111.6	I193 V199 L203 C218 F265 P266 K267 Q268 Q273 M274 I275 H296	I193-F271 HydrophobicContact CD1-CE2 4.03Å; I193-F271 HydrophobicContact CD1-CZ 3.84Å; I193-F271 HydrophobicContact CG2-CZ 4.32Å; V199-F271 HydrophobicContact CG1-CD2 4.3Å; V199-F271 HydrophobicContact CG1-CE2 3.74Å; L203-F271 HydrophobicContact CD1-CE2 4.18Å; L203-F271 HydrophobicContact CD2-CE2 4.4Å; L203-F271 HydrophobicContact CD2-CZ 4.4Å; C218-F271 HydrophobicContact CB-CE1 4.07Å; C218-F271 HydrophobicContact CB-CZ 4.33Å; F265-F271 HydrophobicContact CE1-CD1 4.07Å; F265-F271 HydrophobicContact CE1-CD2 4.3Å; F265-F271 HydrophobicContact CE1-CE1 4.4Å; F265-F271 HydrophobicContact CE1-CG 4.04Å; F265-F271 HydrophobicContact CE2-CD2 4.49Å; F265-F271 HydrophobicContact CE2-CE2 4.45Å; F265-F271 HydrophobicContact CZ-CD1 4.05Å; F265-F271 AromaticContact CZ-CD2 3.71Å; F265-F271 HydrophobicContact CZ-CD2 3.71Å; F265-F271 HydrophobicContact CZ-CE1 4.07Å; F265-F271 AromaticContact CZ-CE2 3.74Å; F265-F271 HydrophobicContact CZ-CE2 3.74Å; F265-F271 AromaticContact CZ-CG 3.91Å; F265-F271 HydrophobicContact CZ-CG 3.91Å; F265-F271 AromaticContact CZ-CZ 3.93Å; F265-F271 HydrophobicContact CZ-CZ 3.93Å; P266-F271 HydrophobicContact CB-CB 4.2Å; K267-F271 PolarHBondContact O-N 3.28Å; Q268-F271 PolarHBondContact O-N 2.99Å; F271-Q273 PolarHBondContact O-N 2.86Å; F271-M274 HydrophobicContact CD2-SD 4.47Å; F271-M274 WeakPolarHBondContact O-CB 3.38Å; F271-M274 PolarHBondContact O-N 2.89Å; F271-I275 HydrophobicContact CD1-CD1 4.01Å; F271-I275 HydrophobicContact CE1-CD1 3.75Å; F271-I275 HydrophobicContact CE1-CG1 4.47Å; F271-I275 HydrophobicContact CE2-CG1 4.42Å; F271-I275 HydrophobicContact CG-CD1 4.49Å; F271-I275 HydrophobicContact CZ-CD1 4.02Å; F271-I275 HydrophobicContact CZ-CG1 4.27Å; F271-I275 WeakPolarHBondContact O-CG1 3.41Å; F271-I275 PolarHBondContact O-N 2.8Å; F271-H296 HydrophobicContact CD1-CB 4.23Å; F271-H296 AromaticContact CD1-CD2 3.6Å; F271-H296 AromaticContact CD1-CE1 3.74Å; F271-H296 AromaticContact CD1-CG 3.59Å; F271-H296 AromaticContact CD1-ND1 3.69Å; F271-H296 AromaticContact CD1-NE2 3.7Å; F271-H296 HydrophobicContact CE1-CB 4.02Å; F271-H296 AromaticContact CE1-CG 3.86Å
272	K	98.1	Very high	95.5	Very high	17 Å²	17	60.9 Å²	60.9	7%	0.074	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-48.5	170.1	-177.9	-165.3	167.7	-151.3	0	111.4	Q268 E269 Q270 M274 I275 E276 V283 Y285	Q268-K272 WeakPolarHBondContact O-CB 3.45Å; Q268-K272 PolarHBondContact O-N 2.89Å; E269-K272 WeakPolarHBondContact O-CB 3.48Å; E269-K272 PolarHBondContact O-N 3.34Å; E269-K272 WeakPolarHBondContact OE1-CD 3.42Å; E269-K272 IonicContact OE1-NZ 3.93Å; E269-K272 PolarHBondContact OE1-NZ 2.85Å; Q270-K272 VanDerWaalsContact C-N 3.34Å; K272-M274 VanDerWaalsContact C-N 3.3Å; K272-M274 PolarHBondContact O-N 2.74Å; K272-I275 WeakPolarHBondContact O-CB 3.39Å; K272-I275 PolarHBondContact O-N 3.33Å; K272-I275 VanDerWaalsContact O-N 3.13Å; K272-E276 WeakPolarHBondContact CE-OE1 3.47Å; K272-E276 IonicContact NZ-OE1 3.69Å; K272-E276 WeakPolarHBondContact O-CG 3.5Å; K272-E276 PolarHBondContact O-N 3.23Å; K272-V283 HydrophobicContact CB-CG1 4.46Å; K272-V283 WeakPolarHBondContact CE-O 3.47Å; K272-V283 HydrophobicContact CG-CB 4.14Å; K272-V283 HydrophobicContact CG-CG1 3.65Å; K272-Y285 HydrophobicContact CB-CD1 4.23Å; K272-Y285 HydrophobicContact CB-CE1 4.47Å; K272-Y285 HydrophobicContact CD-CD1 4.11Å; K272-Y285 HydrophobicContact CD-CE1 4.01Å; K272-Y285 HydrophobicContact CG-CD1 4.47Å
273	Q	98.2	Very high	96.1	Very high	90 Å²	90	61 Å²	61	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-37	176.5	-72.6	171	-4.1	0	0	112.7	E269 Q270 F271 I275 E276 Q277	E269-Q273 WeakPolarHBondContact O-CG 3.37Å; E269-Q273 PolarHBondContact O-N 2.94Å; Q270-Q273 WeakPolarHBondContact O-CB 3.48Å; Q270-Q273 PolarHBondContact O-N 2.87Å; F271-Q273 PolarHBondContact O-N 2.86Å; Q273-I275 VanDerWaalsContact C-N 3.33Å; Q273-E276 PolarHBondContact O-N 3.01Å; Q273-Q277 WeakPolarHBondContact O-CB 3.46Å; Q273-Q277 WeakPolarHBondContact O-CG 3.41Å; Q273-Q277 PolarHBondContact O-N 3.17Å
274	M	98.6	Very high	96.7	Very high	40 Å²	40	59.6 Å²	59.6	20%	0.197	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-38.9	175.1	-67.9	173.8	69	0	0	111.9	V199 L203 P266 Q270 F271 K272 Q277 A278	V199-M274 HydrophobicContact CB-CE 3.84Å; V199-M274 HydrophobicContact CG1-CE 3.68Å; L203-M274 HydrophobicContact CD1-CB 3.78Å; P266-M274 HydrophobicContact CB-SD 4.28Å; P266-M274 HydrophobicContact CG-SD 3.84Å; Q270-M274 WeakPolarHBondContact O-CG 3.48Å; Q270-M274 PolarHBondContact O-N 3.25Å; F271-M274 HydrophobicContact CD2-SD 4.47Å; F271-M274 WeakPolarHBondContact O-CB 3.38Å; F271-M274 PolarHBondContact O-N 2.89Å; K272-M274 VanDerWaalsContact C-N 3.3Å; K272-M274 PolarHBondContact O-N 2.74Å; M274-Q277 PolarHBondContact O-N 3.01Å; M274-A278 PolarHBondContact O-N 2.91Å; M274-A278 VanDerWaalsContact O-N 3.1Å
275	I	98.7	Very high	97.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-44.1	175.3	-63.2	161.2	0	0	0	110.1	L203 F216 F271 K272 Q273 Q277 A278 F280 V283 H296	L203-I275 HydrophobicContact CD1-CG1 4.07Å; L203-I275 HydrophobicContact CD2-CG1 3.77Å; F216-I275 HydrophobicContact CD1-CG2 4.26Å; F216-I275 HydrophobicContact CE1-CD1 3.94Å; F216-I275 HydrophobicContact CE1-CG1 4.07Å; F271-I275 HydrophobicContact CD1-CD1 4.01Å; F271-I275 HydrophobicContact CE1-CD1 3.75Å; F271-I275 HydrophobicContact CE1-CG1 4.47Å; F271-I275 HydrophobicContact CE2-CG1 4.42Å; F271-I275 HydrophobicContact CG-CD1 4.49Å; F271-I275 HydrophobicContact CZ-CD1 4.02Å; F271-I275 HydrophobicContact CZ-CG1 4.27Å; F271-I275 WeakPolarHBondContact O-CG1 3.41Å; F271-I275 PolarHBondContact O-N 2.8Å; K272-I275 WeakPolarHBondContact O-CB 3.39Å; K272-I275 PolarHBondContact O-N 3.33Å; K272-I275 VanDerWaalsContact O-N 3.13Å; Q273-I275 VanDerWaalsContact C-N 3.33Å; I275-Q277 VanDerWaalsContact C-N 3.34Å; I275-Q277 PolarHBondContact O-N 3.07Å; I275-A278 PolarHBondContact O-N 3.47Å; I275-F280 HydrophobicContact CG2-CB 3.69Å; I275-F280 HydrophobicContact CG2-CD2 3.69Å; I275-F280 HydrophobicContact CG2-CG 3.87Å; I275-F280 WeakPolarHBondContact O-CD2 3.32Å; I275-F280 PolarHBondContact O-N 2.83Å; I275-V283 HydrophobicContact CB-CG1 3.86Å; I275-V283 HydrophobicContact CB-CG2 4.48Å; I275-V283 HydrophobicContact CD1-CG1 4.23Å; I275-V283 HydrophobicContact CG2-CB 4.44Å; I275-V283 HydrophobicContact CG2-CG1 3.66Å; I275-V283 HydrophobicContact CG2-CG2 3.82Å; I275-H296 HydrophobicContact CD1-CB 3.69Å
276	E	98.7	Very high	97.2	Very high	83 Å²	83	55.9 Å²	55.9	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-43.3	174.8	-67.6	170	163.6	0	0	111.5	K272 Q273 A278 G279 V283	K272-E276 WeakPolarHBondContact CE-OE1 3.47Å; K272-E276 IonicContact NZ-OE1 3.69Å; K272-E276 WeakPolarHBondContact O-CG 3.5Å; K272-E276 PolarHBondContact O-N 3.23Å; Q273-E276 PolarHBondContact O-N 3.01Å; E276-A278 VanDerWaalsContact C-N 3.28Å; E276-A278 PolarHBondContact O-N 2.85Å; E276-G279 PolarHBondContact O-N 3.46Å; E276-V283 HydrophobicContact CB-CG2 4.45Å; E276-V283 HydrophobicContact CG-CB 3.74Å; E276-V283 HydrophobicContact CG-CG1 4.42Å; E276-V283 HydrophobicContact CG-CG2 3.5Å
277	Q	98.2	Very high	97.3	Very high	155 Å²	155	54.8 Å²	54.8	72%	0.724	28%	0.277	S	S	*	.	H	α-helix	trans	-64.9	-28.1	178.2	-74.5	167.8	14.9	0	0	113.6	Q273 M274 I275 G279	Q273-Q277 WeakPolarHBondContact O-CB 3.46Å; Q273-Q277 WeakPolarHBondContact O-CG 3.41Å; Q273-Q277 PolarHBondContact O-N 3.17Å; M274-Q277 PolarHBondContact O-N 3.01Å; I275-Q277 VanDerWaalsContact C-N 3.34Å; I275-Q277 PolarHBondContact O-N 3.07Å; Q277-G279 PolarHBondContact O-N 2.76Å
278	A	98.4	Very high	97.2	Very high	24 Å²	24	48.3 Å²	48.3	20%	0.198	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.6	173.5	0	0	0	0	0	113.2	L203 M274 I275 E276 F280	L203-A278 HydrophobicContact CB-CB 3.64Å; M274-A278 PolarHBondContact O-N 2.91Å; M274-A278 VanDerWaalsContact O-N 3.1Å; I275-A278 PolarHBondContact O-N 3.47Å; E276-A278 VanDerWaalsContact C-N 3.28Å; E276-A278 PolarHBondContact O-N 2.85Å; A278-F280 HydrophobicContact CB-CD2 4.2Å; A278-F280 HydrophobicContact CB-CE2 4.39Å
279	G	98.4	Very high	96.9	Very high	32 Å²	32	48.7 Å²	48.7	33%	0.33	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.1	2.6	176.1	0	0	0	0	0	114.7	Y207 E276 Q277	Y207-G279 WeakPolarHBondContact CE2-O 3.44Å; E276-G279 PolarHBondContact O-N 3.46Å; Q277-G279 PolarHBondContact O-N 2.76Å
280	F	98.8	Very high	96.3	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	26%	0.259	C	S	.	.			trans	-76.6	142.4	177.1	-68.9	-82.2	0	0	0	112.1	A206 Y207 L210 F216 I275 A278 V283 F299	A206-F280 HydrophobicContact CB-CZ 4.32Å; Y207-F280 HydrophobicContact CD2-CD1 4.02Å; Y207-F280 HydrophobicContact CD2-CD2 4.05Å; Y207-F280 AromaticContact CD2-CE1 3.94Å; Y207-F280 HydrophobicContact CD2-CE1 3.94Å; Y207-F280 HydrophobicContact CD2-CE2 4Å; Y207-F280 HydrophobicContact CD2-CG 4.08Å; Y207-F280 AromaticContact CD2-CZ 3.95Å; Y207-F280 HydrophobicContact CD2-CZ 3.95Å; Y207-F280 HydrophobicContact CG-CE2 4.38Å; Y207-F280 HydrophobicContact CG-CZ 4.37Å; L210-F280 HydrophobicContact CD1-CE1 3.61Å; L210-F280 HydrophobicContact CD1-CZ 3.94Å; F216-F280 HydrophobicContact CB-CD1 3.98Å; F216-F280 HydrophobicContact CB-CE1 3.35Å; F216-F280 HydrophobicContact CB-CE2 4.28Å; F216-F280 HydrophobicContact CB-CZ 3.51Å; F216-F280 HydrophobicContact CD2-CZ 4.34Å; F216-F280 HydrophobicContact CG-CE1 4.26Å; F216-F280 HydrophobicContact CG-CE2 4.36Å; F216-F280 AromaticContact CG-CZ 3.97Å; F216-F280 HydrophobicContact CG-CZ 3.97Å; I275-F280 HydrophobicContact CG2-CB 3.69Å; I275-F280 HydrophobicContact CG2-CD2 3.69Å; I275-F280 HydrophobicContact CG2-CG 3.87Å; I275-F280 WeakPolarHBondContact O-CD2 3.32Å; I275-F280 PolarHBondContact O-N 2.83Å; A278-F280 HydrophobicContact CB-CD2 4.2Å; A278-F280 HydrophobicContact CB-CE2 4.39Å; F280-V283 HydrophobicContact CB-CG2 3.88Å; F280-V283 WeakPolarHBondContact O-CG2 3.01Å; F280-F299 WeakPolarHBondContact CA-O 3.4Å
281	D	98.2	Very high	95.8	Very high	88 Å²	88	45.4 Å²	45.4	47%	0.471	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	167.3	174.1	-86.1	-41.3	0	0	0	112.1	V283 F299 L301	D281-V283 PolarHBondContact O-N 2.73Å; D281-F299 PolarHBondContact N-O 2.98Å; D281-F299 PolarHBondContact O-N 2.99Å; D281-L301 HydrophobicContact CB-CB 4.29Å; D281-L301 HydrophobicContact CB-CD1 3.6Å; D281-L301 HydrophobicContact CB-CG 3.91Å
282	Q	97.9	Very high	95.3	Very high	143 Å²	143	46.4 Å²	46.4	67%	0.668	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.1	37.6	179.5	-61.1	-66.1	-23	0	0	112.2	S284 F299 L301	Q282-S284 PolarHBondContact O-N 3.42Å; Q282-F299 HydrophobicContact CB-CD2 4.1Å; Q282-L301 HydrophobicContact CG-CD1 4.15Å
283	V	98.6	Very high	95	Very high	13 Å²	13	45.6 Å²	45.6	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.4	-175.4	-167.7	0	0	0	0	109.9	K272 I275 E276 F280 D281 S297	K272-V283 HydrophobicContact CB-CG1 4.46Å; K272-V283 WeakPolarHBondContact CE-O 3.47Å; K272-V283 HydrophobicContact CG-CB 4.14Å; K272-V283 HydrophobicContact CG-CG1 3.65Å; I275-V283 HydrophobicContact CB-CG1 3.86Å; I275-V283 HydrophobicContact CB-CG2 4.48Å; I275-V283 HydrophobicContact CD1-CG1 4.23Å; I275-V283 HydrophobicContact CG2-CB 4.44Å; I275-V283 HydrophobicContact CG2-CG1 3.66Å; I275-V283 HydrophobicContact CG2-CG2 3.82Å; E276-V283 HydrophobicContact CB-CG2 4.45Å; E276-V283 HydrophobicContact CG-CB 3.74Å; E276-V283 HydrophobicContact CG-CG1 4.42Å; E276-V283 HydrophobicContact CG-CG2 3.5Å; F280-V283 HydrophobicContact CB-CG2 3.88Å; F280-V283 WeakPolarHBondContact O-CG2 3.01Å; D281-V283 PolarHBondContact O-N 2.73Å; V283-S297 CarbonylContact C-O 3.48Å; V283-S297 VanDerWaalsContact CA-O 3.25Å; V283-S297 WeakPolarHBondContact CA-O 3.37Å
284	S	97.8	Very high	94.9	Very high	66 Å²	66	41.4 Å²	41.4	46%	0.462	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.5	178.9	56.6	0	0	0	0	110.8	Q282 H296 S297	Q282-S284 PolarHBondContact O-N 3.42Å; S284-H296 WeakPolarHBondContact O-CA 3.34Å; S284-S297 PolarHBondContact N-O 3.06Å; S284-S297 PolarHBondContact O-N 2.74Å
285	Y	97.3	Very high	94.9	Very high	37 Å²	37	39.8 Å²	39.8	15%	0.145	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.1	170	60.1	-91.2	0	0	0	112.7	Q268 E269 K272 I295 H296	Q268-Y285 HydrophobicContact CB-CD1 4.46Å; Q268-Y285 HydrophobicContact CB-CD2 4.13Å; Q268-Y285 HydrophobicContact CB-CE1 4.27Å; Q268-Y285 HydrophobicContact CB-CE2 3.93Å; Q268-Y285 HydrophobicContact CB-CG 4.4Å; E269-Y285 WeakPolarHBondContact OE2-CE1 3.48Å; E269-Y285 VanDerWaalsContact OE2-CZ 3.27Å; E269-Y285 PolarHBondContact OE2-OH 3.01Å; K272-Y285 HydrophobicContact CB-CD1 4.23Å; K272-Y285 HydrophobicContact CB-CE1 4.47Å; K272-Y285 HydrophobicContact CD-CD1 4.11Å; K272-Y285 HydrophobicContact CD-CE1 4.01Å; K272-Y285 HydrophobicContact CG-CD1 4.47Å; Y285-I295 CarbonylContact C-O 3.45Å; Y285-I295 WeakPolarHBondContact CA-O 3.21Å; Y285-H296 AromaticContact CD1-NE2 3.9Å; Y285-H296 AromaticContact CG-NE2 3.87Å
286	E	95.4	Very high	94.8	Very high	33 Å²	33	39.9 Å²	39.9	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.8	175.9	178.4	178.2	-174.3	0	0	109.8	H18 R95 L288 S294 I295	H18-E286 IonicContact CD2-OE1 3.44Å; R95-E286 IonicContact CZ-OE1 3.28Å; R95-E286 IonicContact CZ-OE2 3.38Å; R95-E286 IonicContact NE-OE1 3.91Å; R95-E286 IonicContact NE-OE2 3.42Å; R95-E286 PolarHBondContact NE-OE2 2.75Å; R95-E286 IonicContact NH2-OE1 3.94Å; R95-E286 PolarHBondContact NH2-OE1 2.73Å; R95-E286 IonicContact NH2-OE2 3.89Å; E286-L288 HydrophobicContact CG-CD2 4.42Å; E286-S294 CarbonylContact O-C 3.46Å; E286-S294 VanDerWaalsContact O-CA 3.25Å; E286-S294 WeakPolarHBondContact O-CA 3.41Å; E286-I295 PolarHBondContact N-O 3.36Å; E286-I295 PolarHBondContact O-N 2.75Å
287	N	94.1	Very high	94.8	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.9	178.8	-70.8	-17.5	0	0	0	111.4	Q268	Q268-N287 PolarHBondContact NE2-OD1 3.48Å; Q268-N287 PolarHBondContact OE1-OD1 2.75Å
288	L	91.6	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.7	173.2	-54	-174.4	0	0	0	109.5	V17 W88 V91 L219 E286 F290 G291 V292 V293 I295	V17-L288 HydrophobicContact CG1-CB 3.7Å; V17-L288 HydrophobicContact CG1-CD2 3.71Å; V17-L288 HydrophobicContact CG1-CG 4.18Å; W88-L288 HydrophobicContact CB-CD1 3.99Å; W88-L288 HydrophobicContact CG-CD1 4.09Å; V91-L288 HydrophobicContact CG1-CD1 4.48Å; V91-L288 HydrophobicContact CG1-CD2 3.98Å; L219-L288 HydrophobicContact CD1-CD1 4.05Å; E286-L288 HydrophobicContact CG-CD2 4.42Å; L288-F290 PolarHBondContact O-N 3.23Å; L288-G291 PolarHBondContact O-N 3.45Å; L288-V292 PolarHBondContact O-N 3.07Å; L288-V293 HydrophobicContact CB-CB 4.43Å; L288-V293 PolarHBondContact N-O 3.32Å; L288-V293 PolarHBondContact O-N 3.3Å; L288-I295 HydrophobicContact CD1-CD1 3.94Å; L288-I295 HydrophobicContact CD1-CG1 4.09Å; L288-I295 HydrophobicContact CD2-CD1 4.38Å; L288-I295 HydrophobicContact CG-CD1 4.42Å; L288-I295 HydrophobicContact CG-CG1 4.48Å
289	T	88.5	Confident	94.9	Very high	25 Å²	25	31 Å²	31	15%	0.153	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	50.5	58.7	176.7	-54.8	0	0	0	0	111.3	V17 W88 G291 V292	V17-T289 PolarHBondContact O-N 2.99Å; W88-T289 HydrophobicContact CZ2-CG2 4.31Å; W88-T289 PolarHBondContact NE1-OG1 3.01Å; T289-G291 PolarHBondContact O-N 3.22Å; T289-G291 VanDerWaalsContact O-N 3.08Å; T289-V292 HydrophobicContact CG2-CG2 4.36Å; T289-V292 WeakPolarHBondContact O-CG2 3.24Å; T289-V292 PolarHBondContact O-N 2.71Å
290	F	83.8	Confident	94.9	Very high	102 Å²	102	30.8 Å²	30.8	45%	0.447	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	63.4	9.6	-179.8	-49.2	-78.3	0	0	0	115.9	L224 M229 L288	L224-F290 HydrophobicContact CD2-CB 4.17Å; L224-F290 VanDerWaalsContact CD2-O 3.24Å; L224-F290 WeakPolarHBondContact CD2-O 3.3Å; M229-F290 HydrophobicContact CE-CD2 4.47Å; L288-F290 PolarHBondContact O-N 3.23Å
291	G	85.6	Confident	94.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	99.4	16.1	-179	0	0	0	0	0	114.3	S222 L288 T289 V293	S222-G291 CarbonylContact C-O 3.55Å; S222-G291 PolarHBondContact OG-O 2.76Å; L288-G291 PolarHBondContact O-N 3.45Å; T289-G291 PolarHBondContact O-N 3.22Å; T289-G291 VanDerWaalsContact O-N 3.08Å; G291-V293 PolarHBondContact O-N 3.03Å
292	V	86.5	Confident	94.5	Very high	21 Å²	21	34.6 Å²	34.6	13%	0.127	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.4	166.2	176.6	0	0	0	0	110.3	W88 F221 S222 L224 Y233 L288 T289	W88-V292 HydrophobicContact CH2-CG1 3.96Å; W88-V292 HydrophobicContact CZ2-CB 4.47Å; W88-V292 HydrophobicContact CZ2-CG1 4.26Å; F221-V292 WeakPolarHBondContact CA-O 3.41Å; F221-V292 HydrophobicContact CD1-CG1 4.3Å; S222-V292 PolarHBondContact N-O 3.17Å; L224-V292 HydrophobicContact CD1-CG2 4.46Å; L224-V292 HydrophobicContact CD2-CG2 3.85Å; L224-V292 HydrophobicContact CG-CG2 4.45Å; Y233-V292 HydrophobicContact CD2-CG2 4.34Å; Y233-V292 HydrophobicContact CE2-CG1 3.85Å; Y233-V292 HydrophobicContact CE2-CG2 4.44Å; L288-V292 PolarHBondContact O-N 3.07Å; T289-V292 HydrophobicContact CG2-CG2 4.36Å; T289-V292 WeakPolarHBondContact O-CG2 3.24Å; T289-V292 PolarHBondContact O-N 2.71Å
293	V	92	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.5	177.6	-179.4	0	0	0	0	108.8	W88 F191 L219 E220 F221 L288 G291	W88-V293 HydrophobicContact CD2-CB 4.32Å; W88-V293 HydrophobicContact CD2-CG2 3.84Å; W88-V293 HydrophobicContact CE3-CB 4.45Å; W88-V293 HydrophobicContact CE3-CG2 3.55Å; W88-V293 HydrophobicContact CH2-CG2 3.83Å; W88-V293 HydrophobicContact CZ2-CG2 4.06Å; W88-V293 HydrophobicContact CZ3-CG2 3.56Å; F191-V293 HydrophobicContact CE1-CG1 4.05Å; F191-V293 HydrophobicContact CE1-CG2 4.09Å; F191-V293 HydrophobicContact CZ-CG1 4.09Å; F191-V293 HydrophobicContact CZ-CG2 4.31Å; L219-V293 HydrophobicContact CD1-CG1 3.36Å; L219-V293 HydrophobicContact CG-CG1 3.87Å; E220-V293 WeakPolarHBondContact O-CA 3.12Å; E220-V293 WeakPolarHBondContact O-CG1 3.45Å; F221-V293 HydrophobicContact CD1-CG2 3.73Å; F221-V293 HydrophobicContact CE1-CG2 3.97Å; L288-V293 HydrophobicContact CB-CB 4.43Å; L288-V293 PolarHBondContact N-O 3.32Å; L288-V293 PolarHBondContact O-N 3.3Å; G291-V293 PolarHBondContact O-N 3.03Å
294	S	95.5	Very high	94.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.5	172.9	55.9	0	0	0	0	112	E220 S222 E286 H296	E220-S294 PolarHBondContact N-O 3.13Å; E220-S294 VanDerWaalsContact N-O 3.09Å; E220-S294 PolarHBondContact O-N 2.92Å; S222-S294 WeakPolarHBondContact CB-OG 3.41Å; S222-S294 PolarHBondContact OG-N 3.19Å; E286-S294 CarbonylContact O-C 3.46Å; E286-S294 VanDerWaalsContact O-CA 3.25Å; E286-S294 WeakPolarHBondContact O-CA 3.41Å; S294-H296 PolarHBondContact OG-CE1 2.92Å; S294-H296 PolarHBondContact OG-ND1 3.09Å
295	I	98.2	Very high	93.9	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.6	166.9	-61.2	172.5	0	0	0	107.5	V91 F92 R95 M217 C218 L219 Y285 E286 L288	V91-I295 HydrophobicContact CG1-CD1 4.1Å; F92-I295 HydrophobicContact CB-CD1 4.26Å; F92-I295 HydrophobicContact CD2-CD1 4.18Å; F92-I295 HydrophobicContact CD2-CG1 4.02Å; F92-I295 HydrophobicContact CD2-CG2 3.98Å; F92-I295 HydrophobicContact CE2-CG2 4.21Å; R95-I295 HydrophobicContact CG-CD1 4.15Å; M217-I295 HydrophobicContact CE-CG2 3.62Å; C218-I295 CarbonylContact O-C 3.55Å; C218-I295 VanDerWaalsContact O-CA 3.29Å; C218-I295 WeakPolarHBondContact O-CA 3.22Å; L219-I295 HydrophobicContact CD1-CD1 4.34Å; L219-I295 HydrophobicContact CD1-CG1 3.54Å; Y285-I295 CarbonylContact C-O 3.45Å; Y285-I295 WeakPolarHBondContact CA-O 3.21Å; E286-I295 PolarHBondContact N-O 3.36Å; E286-I295 PolarHBondContact O-N 2.75Å; L288-I295 HydrophobicContact CD1-CD1 3.94Å; L288-I295 HydrophobicContact CD1-CG1 4.09Å; L288-I295 HydrophobicContact CD2-CD1 4.38Å; L288-I295 HydrophobicContact CG-CD1 4.42Å; L288-I295 HydrophobicContact CG-CG1 4.48Å
296	H	98.5	Very high	93.6	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.8	167.1	-69.1	71.1	0	0	0	109.8	M217 C218 Q268 F271 I275 S284 Y285 S294	M217-H296 CarbonylContact C-O 3.45Å; M217-H296 WeakPolarHBondContact CA-O 3.45Å; C218-H296 HydrophobicContact CB-CB 4.37Å; C218-H296 PolarHBondContact N-O 2.85Å; C218-H296 PolarHBondContact O-N 2.84Å; Q268-H296 PolarHBondContact O-NE2 3.35Å; F271-H296 HydrophobicContact CD1-CB 4.23Å; F271-H296 AromaticContact CD1-CD2 3.6Å; F271-H296 AromaticContact CD1-CE1 3.74Å; F271-H296 AromaticContact CD1-CG 3.59Å; F271-H296 AromaticContact CD1-ND1 3.69Å; F271-H296 AromaticContact CD1-NE2 3.7Å; F271-H296 HydrophobicContact CE1-CB 4.02Å; F271-H296 AromaticContact CE1-CG 3.86Å; I275-H296 HydrophobicContact CD1-CB 3.69Å; S284-H296 WeakPolarHBondContact O-CA 3.34Å; Y285-H296 AromaticContact CD1-NE2 3.9Å; Y285-H296 AromaticContact CG-NE2 3.87Å; S294-H296 PolarHBondContact OG-CE1 2.92Å; S294-H296 PolarHBondContact OG-ND1 3.09Å
297	S	98.6	Very high	93.5	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.035	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.5	-179.3	179.1	0	0	0	0	110.2	R215 F216 V283 S284	R215-S297 PolarHBondContact NE-OG 2.89Å; R215-S297 PolarHBondContact NH2-OG 3.42Å; R215-S297 VanDerWaalsContact NH2-OG 3.12Å; F216-S297 VanDerWaalsContact O-CA 3.29Å; F216-S297 WeakPolarHBondContact O-CA 3.48Å; V283-S297 CarbonylContact C-O 3.48Å; V283-S297 VanDerWaalsContact CA-O 3.25Å; V283-S297 WeakPolarHBondContact CA-O 3.37Å; S284-S297 PolarHBondContact N-O 3.06Å; S284-S297 PolarHBondContact O-N 2.74Å
298	G	98.6	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.2	173.2	0	0	0	0	0	111.2	F216	F216-G298 PolarHBondContact N-O 3Å; F216-G298 PolarHBondContact O-N 2.9Å
299	F	98.7	Very high	93.6	Very high	69 Å²	69	30.5 Å²	30.5	30%	0.303	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.1	179.7	-65.7	-92	0	0	0	110.4	G214 R215 F280 D281 Q282 L301	G214-F299 WeakPolarHBondContact O-CA 3.49Å; R215-F299 HydrophobicContact CB-CD1 3.92Å; R215-F299 HydrophobicContact CB-CE1 3.83Å; R215-F299 HydrophobicContact CG-CD1 3.97Å; R215-F299 HydrophobicContact CG-CE1 3.65Å; R215-F299 HydrophobicContact CG-CZ 3.98Å; F280-F299 WeakPolarHBondContact CA-O 3.4Å; D281-F299 PolarHBondContact N-O 2.98Å; D281-F299 PolarHBondContact O-N 2.99Å; Q282-F299 HydrophobicContact CB-CD2 4.1Å; F299-L301 HydrophobicContact CB-CD2 3.83Å; F299-L301 HydrophobicContact CB-CG 4.06Å
300	K	98.6	Very high	94.1	Very high	29 Å²	29	30.9 Å²	30.9	13%	0.126	15%	0.15	C	C	.	.			trans	-84.4	109.1	165.7	175.2	169.5	-177.2	173.8	0	107.5	Y207 L210 G213 G214	Y207-K300 HydrophobicContact CD2-CB 4.25Å; Y207-K300 HydrophobicContact CD2-CD 4.25Å; Y207-K300 HydrophobicContact CD2-CG 4.21Å; Y207-K300 HydrophobicContact CE1-CD 4.32Å; Y207-K300 HydrophobicContact CE2-CB 3.89Å; Y207-K300 HydrophobicContact CE2-CD 3.99Å; Y207-K300 HydrophobicContact CE2-CG 3.58Å; Y207-K300 WeakPolarHBondContact O-CD 3.32Å; Y207-K300 PolarHBondContact O-NZ 2.95Å; L210-K300 HydrophobicContact CB-CD 4.07Å; L210-K300 VanDerWaalsContact O-CD 3.3Å; L210-K300 WeakPolarHBondContact O-CD 3.47Å; L210-K300 WeakPolarHBondContact O-CE 3.1Å; L210-K300 PolarHBondContact O-NZ 2.72Å; G213-K300 WeakPolarHBondContact CA-O 3.41Å; G213-K300 PolarHBondContact N-O 3.25Å; G214-K300 PolarHBondContact O-N 2.72Å
301	L	94.4	Very high	95	Very high	135 Å²	135	24.5 Å²	24.5	71%	0.707	12%	0.123	S	C	*	.			trans	-105.8	0	-176.8	-62.1	-174.3	0	0	0	112.5	D281 Q282 F299	D281-L301 HydrophobicContact CB-CB 4.29Å; D281-L301 HydrophobicContact CB-CD1 3.6Å; D281-L301 HydrophobicContact CB-CG 3.91Å; Q282-L301 HydrophobicContact CG-CD1 4.15Å; F299-L301 HydrophobicContact CB-CD2 3.83Å; F299-L301 HydrophobicContact CB-CG 4.06Å

Retrieved 301 of 301 residues in 270.4 ms (Link to these results)

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