G7P0T1_MACFA Loading...

Anterior gradient 3, protein disulphide isomerase family member

AlphaFold DB , UniProt , Accession G7P0T1, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene AGR3, Length 166 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	57.6	Low	50.3	Low	177 Å²	177	117 Å²	117	100%	1.086	67%	0.669	S	S	*	*				0	-17.7	0	45.9	0	0	0	0	114.4
2	M	53.5	Low	49.9	Very low	169 Å²	169	117.3 Å²	117.3	83%	0.833	67%	0.665	S	S	*	*			trans	-86.8	-23	179.7	-74.5	-84.7	169.9	0	0	115.6
3	L	48	Very low	49.5	Very low	137 Å²	137	118.6 Å²	118.6	72%	0.717	67%	0.669	S	S	*	*	H	α-helix	trans	-81.2	-25.9	-172.9	-165.2	61.7	0	0	0	114.3
4	H	48.3	Very low	49.3	Very low	162 Å²	162	117.6 Å²	117.6	75%	0.75	67%	0.666	S	S	*	*	H	α-helix	trans	-79.7	-23.7	-179.3	-70.6	57.7	0	0	0	112.4	A8	H4-A8 PolarHBondContact O-N 2.83Å
5	S	52.2	Low	49.3	Very low	86 Å²	86	114.6 Å²	114.6	60%	0.601	66%	0.661	S	S	*	*	H	α-helix	trans	-77.2	-27.4	-178.7	-153.1	0	0	0	0	112.8	L9	S5-L9 PolarHBondContact O-N 2.88Å
6	A	51.1	Low	49.1	Very low	56 Å²	56	115.4 Å²	115.4	46%	0.463	67%	0.668	S	S	.	*	H	α-helix	trans	-75.8	-37	177.5	0	0	0	0	0	112.3	L9 C10	A6-L9 PolarHBondContact O-N 2.94Å; A6-C10 PolarHBondContact O-N 3.45Å; A6-C10 VanDerWaalsContact O-N 3.11Å
7	L	49.6	Very low	49.2	Very low	121 Å²	121	114.3 Å²	114.3	63%	0.634	67%	0.669	S	S	*	*	H	α-helix	trans	-68.1	-37.4	178.6	-122.4	82.5	0	0	0	112.3	L9 C10 L11	L7-L9 VanDerWaalsContact C-N 3.35Å; L7-C10 PolarHBondContact O-N 3.38Å; L7-L11 PolarHBondContact O-N 2.8Å; L7-L11 VanDerWaalsContact O-N 3.17Å
8	A	51.8	Low	49.3	Very low	53 Å²	53	112.9 Å²	112.9	44%	0.438	67%	0.667	S	S	.	*	H	α-helix	trans	-68.7	-33.4	176.9	0	0	0	0	0	112.5	H4 L11 L12	H4-A8 PolarHBondContact O-N 2.83Å; A8-L11 PolarHBondContact O-N 2.77Å; A8-L12 PolarHBondContact O-N 3.31Å
9	L	46.8	Very low	49.4	Very low	115 Å²	115	114.8 Å²	114.8	60%	0.602	67%	0.674	S	S	*	*	H	α-helix	trans	-75.2	-33	177.7	-152.1	73.9	0	0	0	112.1	S5 A6 L7 L13	S5-L9 PolarHBondContact O-N 2.88Å; A6-L9 PolarHBondContact O-N 2.94Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L9-L13 PolarHBondContact O-N 2.97Å
10	C	47.6	Very low	49.3	Very low	84 Å²	84	117 Å²	117	57%	0.568	68%	0.681	S	S	*	*	H	α-helix	trans	-67.7	-35.8	171.3	-81.5	0	0	0	0	112.6	A6 L7 L12 L13 V14	A6-C10 PolarHBondContact O-N 3.45Å; A6-C10 VanDerWaalsContact O-N 3.11Å; L7-C10 PolarHBondContact O-N 3.38Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 3.38Å; C10-L13 PolarHBondContact O-N 3.43Å; C10-V14 WeakPolarHBondContact O-CG2 3.41Å
11	L	46.3	Very low	49.2	Very low	127 Å²	127	116 Å²	116	67%	0.665	69%	0.686	S	S	*	*	H	α-helix	trans	-70.6	-27.3	177.9	-77.7	163.4	0	0	0	113.3	L7 A8	L7-L11 PolarHBondContact O-N 2.8Å; L7-L11 VanDerWaalsContact O-N 3.17Å; A8-L11 PolarHBondContact O-N 2.77Å
12	L	45.5	Very low	48.6	Very low	120 Å²	120	114.1 Å²	114.1	63%	0.628	67%	0.669	S	S	*	*	H	α-helix	trans	-77.6	-22.5	175.3	-74.8	166.3	0	0	0	113.5	A8 C10	A8-L12 PolarHBondContact O-N 3.31Å; C10-L12 VanDerWaalsContact C-N 3.34Å; C10-L12 PolarHBondContact O-N 3.38Å
13	L	44.7	Very low	48.5	Very low	135 Å²	135	110 Å²	110	71%	0.707	66%	0.661	S	S	*	*	H	α-helix	trans	-81.9	-18.5	177.1	-80.7	161	0	0	0	113.6	L9 C10	L9-L13 PolarHBondContact O-N 2.97Å; C10-L13 PolarHBondContact O-N 3.43Å
14	V	47.6	Very low	48.6	Very low	105 Å²	105	110.4 Å²	110.4	64%	0.636	66%	0.662	S	S	*	*	H	α-helix	trans	-85.8	-20.4	179	-176.2	0	0	0	0	112.3	C10	C10-V14 WeakPolarHBondContact O-CG2 3.41Å
15	A	48	Very low	48.5	Very low	72 Å²	72	111.6 Å²	111.6	60%	0.595	67%	0.665	S	S	*	*	S	Bend	trans	-88.3	-11.6	-175.7	0	0	0	0	0	115.1
16	V	47	Very low	48.3	Very low	127 Å²	127	116.2 Å²	116.2	77%	0.77	68%	0.675	S	S	*	*	S	Bend	trans	-102.7	-5	-174.8	-175.5	0	0	0	0	113.5
17	S	50.1	Low	48.5	Very low	97 Å²	97	121.3 Å²	121.3	68%	0.678	69%	0.689	S	S	*	*	S	Bend	trans	-88.1	-2.1	179.8	54.9	0	0	0	0	115.1
18	S	50.8	Low	48.5	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	70%	0.701	S	S	*	*	S	Bend	trans	-94.5	-2.8	-166.8	-60.5	0	0	0	0	116.4
19	N	51.9	Low	49	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	71%	0.708	S	S	*	*	S	Bend	trans	-130.7	56.7	-171.8	-68.6	-35.5	0	0	0	113.9
20	L	48.1	Very low	49.8	Very low	157 Å²	157	129.7 Å²	129.7	82%	0.822	71%	0.712	S	S	*	*			trans	-158.5	48.7	154.4	-148	66.4	0	0	0	113.9
21	A	46.4	Very low	51	Low	96 Å²	96	131.5 Å²	131.5	79%	0.793	72%	0.723	S	S	*	*			trans	-111.6	75.9	153.5	0	0	0	0	0	107	A23	A21-A23 PolarHBondContact O-N 3.46Å
22	I	46	Very low	52.1	Low	139 Å²	139	130.9 Å²	130.9	71%	0.713	72%	0.716	S	S	*	*			trans	-65.3	83.7	155.9	-60.8	174.6	0	0	0	104.2	I24	I22-I24 HydrophobicContact CG2-CG1 4.26Å; I22-I24 PolarHBondContact O-N 2.86Å
23	A	50.1	Low	54.3	Low	81 Å²	81	128.7 Å²	128.7	67%	0.669	71%	0.708	S	S	*	*			trans	-60.8	93.4	162.6	0	0	0	0	0	104.8	A21 K25	A21-A23 PolarHBondContact O-N 3.46Å; A23-K25 PolarHBondContact O-N 2.64Å
24	I	49.8	Very low	56.5	Low	146 Å²	146	125.8 Å²	125.8	75%	0.749	69%	0.693	S	S	*	*			trans	-57.5	92.1	158.2	-59.4	172.7	0	0	0	103.3	I22 K26	I22-I24 HydrophobicContact CG2-CG1 4.26Å; I22-I24 PolarHBondContact O-N 2.86Å; I24-K26 PolarHBondContact O-N 2.93Å
25	K	46.9	Very low	58.8	Low	188 Å²	188	121.1 Å²	121.1	82%	0.817	67%	0.665	S	S	*	*			trans	-60.8	83.8	160.4	-90.9	-174.6	174.9	-177.1	0	104.1	A23 E27	A23-K25 PolarHBondContact O-N 2.64Å; K25-E27 PolarHBondContact O-N 3.25Å
26	K	47.8	Very low	61.1	Low	183 Å²	183	120.6 Å²	120.6	80%	0.796	65%	0.648	S	S	*	*			trans	-65.6	89	161.2	-161.8	176.3	-172.1	179.9	0	102.6	I24 K28	I24-K26 PolarHBondContact O-N 2.93Å; K26-K28 PolarHBondContact O-N 3.32Å
27	E	56.6	Low	63.5	Low	162 Å²	162	115.9 Å²	115.9	76%	0.757	63%	0.625	S	S	*	*			trans	-46.7	112.4	171.6	-77.7	-175.4	158.5	0	0	105.5	K25 R29	K25-E27 PolarHBondContact O-N 3.25Å; E27-R29 PolarHBondContact O-N 3.07Å
28	K	49.5	Very low	65.8	Low	206 Å²	206	111.3 Å²	111.3	90%	0.896	59%	0.593	S	S	*	*			trans	-66.4	91.1	174	-85.5	-176	174.5	-179	0	104.9	K26	K26-K28 PolarHBondContact O-N 3.32Å
29	R	61.2	Low	68	Low	154 Å²	154	107.2 Å²	107.2	58%	0.581	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-55	129.7	170.2	-65.3	-174.4	-175.7	-171.8	0.9	106.1	E27 E69	E27-R29 PolarHBondContact O-N 3.07Å; R29-E69 IonicContact NH1-OE2 2.97Å; R29-E69 PolarHBondContact NH1-OE2 2.79Å; R29-E69 VanDerWaalsContact NH1-OE2 3.17Å
30	P	63.9	Low	70.1	Confident	106 Å²	106	105.9 Å²	105.9	69%	0.688	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-55.1	155.3	175.2	24.5	-32.9	0	0	0	109.5	Q32	P30-Q32 PolarHBondContact O-N 3.46Å
31	P	72.7	Confident	72.5	Confident	122 Å²	122	104.5 Å²	104.5	79%	0.792	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-49.4	129.3	175	-22.6	31.5	0	0	0	109.9	T33	P31-T33 PolarHBondContact O-N 3.5Å
32	Q	70.5	Confident	74.9	Confident	113 Å²	113	100.3 Å²	100.3	53%	0.528	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-64.9	119.6	178.5	-79.2	-179.4	-12.9	0	0	109.2	P30 E69	P30-Q32 PolarHBondContact O-N 3.46Å; Q32-E69 PolarHBondContact NE2-OE1 3Å
33	T	89.8	Confident	77.4	Confident	75 Å²	75	100 Å²	100	46%	0.46	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-76	158	169.7	63.4	0	0	0	0	109.7	P31 S35 R36	P31-T33 PolarHBondContact O-N 3.5Å; T33-S35 PolarHBondContact O-N 3.27Å; T33-S35 PolarHBondContact OG1-OG 3.49Å; T33-R36 WeakPolarHBondContact O-CG 3.44Å; T33-R36 PolarHBondContact O-N 2.99Å; T33-R36 PolarHBondContact OG1-N 3.3Å; T33-R36 VanDerWaalsContact OG1-N 3.17Å
34	L	92.8	Very high	79.7	Confident	74 Å²	74	97.2 Å²	97.2	39%	0.387	49%	0.492	S	S	.	.	S	Bend	trans	-64.5	-31.4	172.7	-69.8	177.6	0	0	0	112	R36 W44 Q46 N99	L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.32Å; L34-R36 PolarHBondContact O-NH1 3.35Å; L34-W44 HydrophobicContact CB-CB 4.08Å; L34-Q46 HydrophobicContact CD1-CG 3.93Å; L34-Q46 HydrophobicContact CD2-CG 4Å; L34-N99 PolarHBondContact O-ND2 3.04Å
35	S	95.4	Very high	82	Confident	7 Å²	7	91 Å²	91	5%	0.049	46%	0.461	C	S	.	.	S	Bend	trans	-67.4	-32.9	178	64.4	0	0	0	0	113.3	T33 G37 W38 G39 D40	T33-S35 PolarHBondContact O-N 3.27Å; T33-S35 PolarHBondContact OG1-OG 3.49Å; S35-G37 PolarHBondContact O-N 2.84Å; S35-W38 WeakPolarHBondContact O-CB 3.22Å; S35-W38 PolarHBondContact O-N 3.19Å; S35-G39 VanDerWaalsContact CB-O 3.31Å; S35-G39 WeakPolarHBondContact CB-O 3.32Å; S35-D40 VanDerWaalsContact CB-OD1 3.25Å; S35-D40 WeakPolarHBondContact CB-OD1 3.41Å; S35-D40 PolarHBondContact OG-OD1 3.31Å
36	R	96.6	Very high	84.4	Confident	60 Å²	60	88.2 Å²	88.2	23%	0.226	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	23.2	-175.5	-54.5	-174.3	-177.9	87.4	1.4	113.8	T33 L34 K78 N99	T33-R36 WeakPolarHBondContact O-CG 3.44Å; T33-R36 PolarHBondContact O-N 2.99Å; T33-R36 PolarHBondContact OG1-N 3.3Å; T33-R36 VanDerWaalsContact OG1-N 3.17Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.32Å; L34-R36 PolarHBondContact O-NH1 3.35Å; R36-K78 WeakPolarHBondContact O-CD 3.31Å; R36-K78 WeakPolarHBondContact O-CE 3.5Å; R36-K78 PolarHBondContact O-NZ 2.87Å; R36-N99 WeakPolarHBondContact CD-OD1 3.46Å; R36-N99 PolarHBondContact NH1-O 3.09Å; R36-N99 VanDerWaalsContact NH1-O 3.17Å; R36-N99 PolarHBondContact NH1-OD1 2.76Å
37	G	96.6	Very high	86.8	Confident	29 Å²	29	82.3 Å²	82.3	30%	0.299	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	5.8	-177.7	0	0	0	0	0	116	S35 G39 K78 S82	S35-G37 PolarHBondContact O-N 2.84Å; G37-G39 VanDerWaalsContact C-N 3.28Å; G37-K78 VanDerWaalsContact O-CG 3.22Å; G37-K78 WeakPolarHBondContact O-CG 3.32Å; G37-S82 WeakPolarHBondContact O-CB 3.49Å
38	W	98.4	Very high	88.8	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-80.5	-5.3	176.1	-71.4	93.1	0	0	0	113.9	S35 W44 I65 H67 L77 K78 F81 Q88	S35-W38 WeakPolarHBondContact O-CB 3.22Å; S35-W38 PolarHBondContact O-N 3.19Å; W38-W44 HydrophobicContact CB-CH2 3.61Å; W38-W44 HydrophobicContact CB-CZ2 3.49Å; W38-W44 VanDerWaalsContact CB-CZ2 3.49Å; W38-W44 HydrophobicContact CG-CH2 4.38Å; W38-I65 HydrophobicContact CD2-CD1 4.11Å; W38-I65 HydrophobicContact CD2-CG2 4.06Å; W38-I65 HydrophobicContact CE3-CD1 3.72Å; W38-I65 HydrophobicContact CE3-CG2 4.11Å; W38-I65 HydrophobicContact CH2-CG2 3.55Å; W38-I65 HydrophobicContact CZ2-CG2 3.47Å; W38-I65 VanDerWaalsContact CZ2-CG2 3.47Å; W38-I65 HydrophobicContact CZ3-CD1 4.11Å; W38-I65 HydrophobicContact CZ3-CG2 3.86Å; W38-H67 AromaticContact CD1-CD2 3.94Å; W38-H67 AromaticContact CD1-NE2 3.79Å; W38-H67 AromaticContact CE2-CD2 3.84Å; W38-H67 HydrophobicContact CZ2-CB 3.82Å; W38-H67 AromaticContact NE1-CD2 3.09Å; W38-H67 PolarHBondContact NE1-CD2 3.09Å; W38-H67 AromaticContact NE1-CE1 3.77Å; W38-H67 AromaticContact NE1-CG 3.46Å; W38-H67 AromaticContact NE1-ND1 3.86Å; W38-H67 AromaticContact NE1-NE2 3.3Å; W38-H67 PolarHBondContact NE1-NE2 3.3Å; W38-L77 HydrophobicContact CH2-CB 4.41Å; W38-L77 HydrophobicContact CH2-CD2 4.02Å; W38-L77 HydrophobicContact CH2-CG 4.09Å; W38-L77 HydrophobicContact CZ3-CD2 4.34Å; W38-L77 HydrophobicContact CZ3-CG 4.18Å; W38-K78 HydrophobicContact CD2-CB 4.05Å; W38-K78 HydrophobicContact CD2-CD 4.22Å; W38-K78 HydrophobicContact CD2-CG 3.8Å; W38-K78 HydrophobicContact CE3-CB 4.26Å; W38-K78 HydrophobicContact CE3-CG 4.31Å; W38-K78 HydrophobicContact CG-CD 4.06Å; W38-K78 HydrophobicContact CG-CG 3.92Å; W38-K78 HydrophobicContact CH2-CB 4.11Å; W38-K78 HydrophobicContact CZ2-CB 3.89Å; W38-K78 HydrophobicContact CZ2-CG 4.43Å; W38-K78 HydrophobicContact CZ3-CB 4.3Å; W38-F81 HydrophobicContact CE3-CB 3.99Å; W38-F81 AromaticContact CE3-CD1 3.75Å; W38-F81 HydrophobicContact CE3-CD1 3.75Å; W38-F81 HydrophobicContact CE3-CD2 4.11Å; W38-F81 HydrophobicContact CE3-CE1 4.26Å; W38-F81 AromaticContact CE3-CG 3.68Å; W38-F81 HydrophobicContact CE3-CG 3.68Å; W38-F81 HydrophobicContact CZ3-CB 4Å; W38-F81 HydrophobicContact CZ3-CD1 4.45Å; W38-F81 HydrophobicContact CZ3-CD2 4.05Å; W38-F81 AromaticContact CZ3-CG 3.92Å; W38-F81 HydrophobicContact CZ3-CG 3.92Å; W38-F81 WeakPolarHBondContact O-CD1 3.23Å; W38-F81 VanDerWaalsContact O-CE1 3.27Å; W38-F81 WeakPolarHBondContact O-CE1 3.42Å; W38-Q88 PolarHBondContact O-NE2 3.04Å; W38-Q88 VanDerWaalsContact O-NE2 3.15Å
39	G	97.7	Very high	91.1	Very high	4 Å²	4	70.9 Å²	70.9	4%	0.041	38%	0.38	C	S	.	.			trans	139.7	109.5	-179.1	0	0	0	0	0	109.8	S35 G37 W44	S35-G39 VanDerWaalsContact CB-O 3.31Å; S35-G39 WeakPolarHBondContact CB-O 3.32Å; G37-G39 VanDerWaalsContact C-N 3.28Å; G39-W44 PolarHBondContact O-NE1 3.37Å
40	D	96.5	Very high	92.9	Very high	121 Å²	121	66.7 Å²	66.7	65%	0.647	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.5	-172.2	-68	-17.6	0	0	0	112.6	S35 I42	S35-D40 VanDerWaalsContact CB-OD1 3.25Å; S35-D40 WeakPolarHBondContact CB-OD1 3.41Å; S35-D40 PolarHBondContact OG-OD1 3.31Å; D40-I42 VanDerWaalsContact C-N 3.31Å
41	D	96.8	Very high	94.6	Very high	129 Å²	129	61.6 Å²	61.6	69%	0.69	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.1	177.1	-61	-37.5	0	0	0	113
42	I	98.3	Very high	95.8	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.041	31%	0.305	C	S	.	.	S	Bend	trans	-76	134	174.5	-65	163.7	0	0	0	109.3	D40 W44 F81 A91 Q92 M97	D40-I42 VanDerWaalsContact C-N 3.31Å; I42-W44 HydrophobicContact CB-CZ2 4.16Å; I42-W44 HydrophobicContact CD1-CH2 4.45Å; I42-W44 HydrophobicContact CD1-CZ2 3.75Å; I42-W44 HydrophobicContact CG2-CD2 3.97Å; I42-W44 HydrophobicContact CG2-CG 4.19Å; I42-W44 HydrophobicContact CG2-CZ2 4.03Å; I42-W44 PolarHBondContact O-N 3.02Å; I42-W44 PolarHBondContact O-NE1 2.93Å; I42-F81 HydrophobicContact CD1-CE1 4.37Å; I42-A91 HydrophobicContact CD1-CB 3.52Å; I42-A91 HydrophobicContact CG1-CB 3.93Å; I42-Q92 HydrophobicContact CB-CG 4.45Å; I42-Q92 HydrophobicContact CG1-CG 3.76Å; I42-M97 HydrophobicContact CG2-CB 3.56Å; I42-M97 HydrophobicContact CG2-CG 3.61Å
43	T	97.8	Very high	97.2	Very high	132 Å²	132	57.5 Å²	57.5	81%	0.81	30%	0.303	S	S	*	.			trans	-81.8	102.6	168.9	-57.8	0	0	0	0	109.8
44	W	98.6	Very high	97.6	Very high	23 Å²	23	58.5 Å²	58.5	9%	0.087	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-87.2	133.9	-177.2	-64.3	89.5	0	0	0	112.2	L34 W38 G39 I42 I65 M97 N99	L34-W44 HydrophobicContact CB-CB 4.08Å; W38-W44 HydrophobicContact CB-CH2 3.61Å; W38-W44 HydrophobicContact CB-CZ2 3.49Å; W38-W44 VanDerWaalsContact CB-CZ2 3.49Å; W38-W44 HydrophobicContact CG-CH2 4.38Å; G39-W44 PolarHBondContact O-NE1 3.37Å; I42-W44 HydrophobicContact CB-CZ2 4.16Å; I42-W44 HydrophobicContact CD1-CH2 4.45Å; I42-W44 HydrophobicContact CD1-CZ2 3.75Å; I42-W44 HydrophobicContact CG2-CD2 3.97Å; I42-W44 HydrophobicContact CG2-CG 4.19Å; I42-W44 HydrophobicContact CG2-CZ2 4.03Å; I42-W44 PolarHBondContact O-N 3.02Å; I42-W44 PolarHBondContact O-NE1 2.93Å; W44-I65 HydrophobicContact CH2-CD1 4.14Å; W44-I65 HydrophobicContact CZ3-CD1 4.49Å; W44-M97 HydrophobicContact CD2-CB 4.31Å; W44-M97 HydrophobicContact CE3-CB 3.79Å; W44-M97 HydrophobicContact CH2-CB 4.43Å; W44-M97 HydrophobicContact CH2-CE 3.91Å; W44-M97 HydrophobicContact CZ3-CB 3.87Å; W44-M97 HydrophobicContact CZ3-CE 4.11Å; W44-N99 HydrophobicContact CE3-CB 4.19Å; W44-N99 HydrophobicContact CH2-CB 4.3Å; W44-N99 HydrophobicContact CZ3-CB 3.7Å; W44-N99 WeakPolarHBondContact CZ3-ND2 3.35Å
45	V	98.5	Very high	97.9	Very high	15 Å²	15	55 Å²	55	9%	0.091	28%	0.281	C	S	.	.			trans	-77.8	155.9	164.1	-66	0	0	0	0	110.2	E50 Y54 I96 M97 L98	V45-E50 HydrophobicContact CB-CB 4.47Å; V45-E50 HydrophobicContact CB-CG 4.05Å; V45-E50 HydrophobicContact CG1-CG 3.97Å; V45-Y54 HydrophobicContact CG1-CD2 3.95Å; V45-Y54 HydrophobicContact CG1-CE2 4.49Å; V45-I96 HydrophobicContact CG1-CG2 3.76Å; V45-I96 HydrophobicContact CG2-CG2 3.99Å; V45-M97 VanDerWaalsContact CG2-O 3.25Å; V45-M97 WeakPolarHBondContact CG2-O 3.23Å; V45-M97 PolarHBondContact N-O 3.48Å; V45-L98 HydrophobicContact CG2-CB 3.79Å; V45-L98 HydrophobicContact CG2-CD1 4.08Å; V45-L98 HydrophobicContact CG2-CG 4.42Å; V45-L98 WeakPolarHBondContact O-CD1 3.36Å
46	Q	97.2	Very high	98	Very high	130 Å²	130	60 Å²	60	61%	0.607	30%	0.303	S	S	*	.	S	Bend	trans	-93.9	-32.6	-174.6	-62.5	-171.2	10	0	0	113.3	L34 E50	L34-Q46 HydrophobicContact CD1-CG 3.93Å; L34-Q46 HydrophobicContact CD2-CG 4Å; Q46-E50 PolarHBondContact N-OE2 3.48Å
47	T	98.2	Very high	98.1	Very high	58 Å²	58	64.2 Å²	64.2	36%	0.356	32%	0.324	S	S	.	.	S	Bend	trans	-127.7	162.3	-176.3	89.4	0	0	0	0	112.4	E49 E50 G51	T47-E49 VanDerWaalsContact C-N 3.35Å; T47-E49 WeakPolarHBondContact CB-OE2 3.28Å; T47-E49 PolarHBondContact OG1-N 3.2Å; T47-E49 PolarHBondContact OG1-OE2 3.21Å; T47-E50 PolarHBondContact OG1-N 3.47Å; T47-G51 PolarHBondContact O-N 2.64Å
48	Y	98.5	Very high	98.1	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-41.5	177.5	-176.6	-130.9	0	0	0	111.5	E50 G51 L52 L62 V64 L98 T104 D106 L109 V122	Y48-E50 PolarHBondContact O-N 3.29Å; Y48-G51 CarbonylContact O-C 3.46Å; Y48-G51 WeakPolarHBondContact O-CA 2.98Å; Y48-G51 PolarHBondContact O-N 2.87Å; Y48-G51 VanDerWaalsContact O-N 3.13Å; Y48-L52 HydrophobicContact CD1-CD1 4.01Å; Y48-L52 HydrophobicContact CD2-CG 4.22Å; Y48-L52 HydrophobicContact CE1-CD1 3.66Å; Y48-L52 HydrophobicContact CE1-CG 4.26Å; Y48-L52 HydrophobicContact CE2-CD1 4.23Å; Y48-L52 HydrophobicContact CE2-CD2 3.79Å; Y48-L52 HydrophobicContact CE2-CG 3.92Å; Y48-L52 HydrophobicContact CG-CD1 4.46Å; Y48-L52 WeakPolarHBondContact O-CG 3.36Å; Y48-L52 PolarHBondContact O-N 3.43Å; Y48-L62 HydrophobicContact CD2-CD2 3.81Å; Y48-L62 HydrophobicContact CE2-CD2 3.71Å; Y48-V64 HydrophobicContact CD2-CG2 4.38Å; Y48-V64 HydrophobicContact CE2-CG2 4.27Å; Y48-L98 HydrophobicContact CD2-CD2 4.18Å; Y48-T104 HydrophobicContact CD1-CG2 4.27Å; Y48-T104 HydrophobicContact CG-CG2 4.03Å; Y48-D106 HydrophobicContact CD1-CB 4.37Å; Y48-D106 HydrophobicContact CE1-CB 3.59Å; Y48-D106 PolarHBondContact OH-OD2 3.32Å; Y48-L109 HydrophobicContact CD1-CD1 4.49Å; Y48-L109 HydrophobicContact CD2-CD1 4.06Å; Y48-L109 HydrophobicContact CE1-CD1 4.05Å; Y48-L109 HydrophobicContact CE2-CD1 3.61Å; Y48-L109 HydrophobicContact CG-CD1 4.48Å; Y48-V122 HydrophobicContact CE2-CG2 4.23Å
49	E	98.4	Very high	98.1	Very high	114 Å²	114	72.9 Å²	72.9	53%	0.533	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-42.2	179.7	-54.8	73.7	-161.7	0	0	111.6	T47 G51 L52 F53	T47-E49 VanDerWaalsContact C-N 3.35Å; T47-E49 WeakPolarHBondContact CB-OE2 3.28Å; T47-E49 PolarHBondContact OG1-N 3.2Å; T47-E49 PolarHBondContact OG1-OE2 3.21Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-L52 PolarHBondContact O-N 2.99Å; E49-F53 WeakPolarHBondContact O-CB 3.41Å; E49-F53 PolarHBondContact O-N 3Å
50	E	98.6	Very high	98.1	Very high	66 Å²	66	76 Å²	76	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-44.3	172.4	-177.8	-178.2	-153.9	0	0	110.9	V45 Q46 T47 Y48 F53 Y54	V45-E50 HydrophobicContact CB-CB 4.47Å; V45-E50 HydrophobicContact CB-CG 4.05Å; V45-E50 HydrophobicContact CG1-CG 3.97Å; Q46-E50 PolarHBondContact N-OE2 3.48Å; T47-E50 PolarHBondContact OG1-N 3.47Å; Y48-E50 PolarHBondContact O-N 3.29Å; E50-F53 PolarHBondContact O-N 3.04Å; E50-Y54 HydrophobicContact CG-CD2 3.69Å; E50-Y54 HydrophobicContact CG-CE2 3.51Å; E50-Y54 VanDerWaalsContact O-CD2 3.26Å; E50-Y54 WeakPolarHBondContact O-CD2 3.45Å; E50-Y54 PolarHBondContact O-N 3.3Å
51	G	98.7	Very high	98.2	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-48.1	175.8	0	0	0	0	0	112.9	T47 Y48 E49 Y54 A55	T47-G51 PolarHBondContact O-N 2.64Å; Y48-G51 CarbonylContact O-C 3.46Å; Y48-G51 WeakPolarHBondContact O-CA 2.98Å; Y48-G51 PolarHBondContact O-N 2.87Å; Y48-G51 VanDerWaalsContact O-N 3.13Å; E49-G51 VanDerWaalsContact C-N 3.33Å; G51-Y54 PolarHBondContact O-N 3.32Å; G51-A55 VanDerWaalsContact O-CB 3.23Å; G51-A55 WeakPolarHBondContact O-CB 3.37Å; G51-A55 PolarHBondContact O-N 2.98Å
52	L	98.7	Very high	98.3	Very high	35 Å²	35	64.2 Å²	64.2	18%	0.183	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-43.9	177.2	-68.9	179	0	0	0	111.8	Y48 E49 Y54 A55 Q56 L62 V122 L126	Y48-L52 HydrophobicContact CD1-CD1 4.01Å; Y48-L52 HydrophobicContact CD2-CG 4.22Å; Y48-L52 HydrophobicContact CE1-CD1 3.66Å; Y48-L52 HydrophobicContact CE1-CG 4.26Å; Y48-L52 HydrophobicContact CE2-CD1 4.23Å; Y48-L52 HydrophobicContact CE2-CD2 3.79Å; Y48-L52 HydrophobicContact CE2-CG 3.92Å; Y48-L52 HydrophobicContact CG-CD1 4.46Å; Y48-L52 WeakPolarHBondContact O-CG 3.36Å; Y48-L52 PolarHBondContact O-N 3.43Å; E49-L52 PolarHBondContact O-N 2.99Å; L52-Y54 PolarHBondContact O-N 3.06Å; L52-A55 PolarHBondContact O-N 3.26Å; L52-Q56 PolarHBondContact O-N 3.45Å; L52-L62 HydrophobicContact CD2-CD2 4.06Å; L52-L62 HydrophobicContact CG-CD2 4.43Å; L52-V122 HydrophobicContact CD2-CB 4.47Å; L52-V122 HydrophobicContact CD2-CG1 3.82Å; L52-L126 HydrophobicContact CB-CD2 4.11Å; L52-L126 HydrophobicContact CD2-CD2 4.08Å
53	F	98.6	Very high	98.4	Very high	114 Å²	114	63.9 Å²	63.9	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-57.7	-50.4	176.9	171.9	-97.7	0	0	0	111.6	E49 E50 K57	E49-F53 WeakPolarHBondContact O-CB 3.41Å; E49-F53 PolarHBondContact O-N 3Å; E50-F53 PolarHBondContact O-N 3.04Å; F53-K57 HydrophobicContact CE1-CD 3.94Å; F53-K57 HydrophobicContact CZ-CD 3.98Å; F53-K57 VanDerWaalsContact O-CB 3.26Å; F53-K57 WeakPolarHBondContact O-CB 3.35Å; F53-K57 PolarHBondContact O-N 2.83Å
54	Y	98.7	Very high	98.4	Very high	95 Å²	95	57.6 Å²	57.6	37%	0.373	27%	0.269	S	S	.	.	H	α-helix	trans	-71.2	-32.1	179.2	-74.6	-61.1	0	0	0	113	V45 E50 G51 L52 K57 S58	V45-Y54 HydrophobicContact CG1-CD2 3.95Å; V45-Y54 HydrophobicContact CG1-CE2 4.49Å; E50-Y54 HydrophobicContact CG-CD2 3.69Å; E50-Y54 HydrophobicContact CG-CE2 3.51Å; E50-Y54 VanDerWaalsContact O-CD2 3.26Å; E50-Y54 WeakPolarHBondContact O-CD2 3.45Å; E50-Y54 PolarHBondContact O-N 3.3Å; G51-Y54 PolarHBondContact O-N 3.32Å; L52-Y54 PolarHBondContact O-N 3.06Å; Y54-K57 PolarHBondContact O-N 3.21Å; Y54-S58 VanDerWaalsContact O-CB 3.28Å; Y54-S58 WeakPolarHBondContact O-CB 3.22Å; Y54-S58 PolarHBondContact O-N 3.23Å; Y54-S58 PolarHBondContact O-OG 2.96Å
55	A	98.5	Very high	98.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-49.5	176.7	0	0	0	0	0	110.8	G51 L52 K59 K60 L62 I96	G51-A55 VanDerWaalsContact O-CB 3.23Å; G51-A55 WeakPolarHBondContact O-CB 3.37Å; G51-A55 PolarHBondContact O-N 2.98Å; L52-A55 PolarHBondContact O-N 3.26Å; A55-K59 WeakPolarHBondContact O-CA 3.49Å; A55-K59 PolarHBondContact O-N 3.34Å; A55-K60 CarbonylContact C-O 3.56Å; A55-K60 WeakPolarHBondContact CA-O 3.39Å; A55-K60 VanDerWaalsContact CB-O 3.22Å; A55-K60 WeakPolarHBondContact CB-O 3.16Å; A55-K60 PolarHBondContact O-N 2.88Å; A55-L62 HydrophobicContact CB-CB 4.07Å; A55-I96 HydrophobicContact CB-CG1 4.29Å
56	Q	98	Very high	98.4	Very high	112 Å²	112	55.9 Å²	55.9	52%	0.523	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-46.6	176.4	-172.6	175.1	74.8	0	0	111.8	L52 S58 L126	L52-Q56 PolarHBondContact O-N 3.45Å; Q56-S58 PolarHBondContact O-N 3.26Å; Q56-L126 HydrophobicContact CB-CD2 4.27Å
57	K	98.2	Very high	98.5	Very high	150 Å²	150	49.8 Å²	49.8	65%	0.652	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-41.3	-177.8	-177.8	176.9	179.2	179.8	0	113	F53 Y54	F53-K57 HydrophobicContact CE1-CD 3.94Å; F53-K57 HydrophobicContact CZ-CD 3.98Å; F53-K57 VanDerWaalsContact O-CB 3.26Å; F53-K57 WeakPolarHBondContact O-CB 3.35Å; F53-K57 PolarHBondContact O-N 2.83Å; Y54-K57 PolarHBondContact O-N 3.21Å
58	S	97.7	Very high	98.5	Very high	51 Å²	51	51 Å²	51	36%	0.357	24%	0.236	S	C	.	.	H	α-helix	trans	-95.7	-3.9	-175.6	69.5	0	0	0	0	113.9	Y54 Q56 K60	Y54-S58 VanDerWaalsContact O-CB 3.28Å; Y54-S58 WeakPolarHBondContact O-CB 3.22Å; Y54-S58 PolarHBondContact O-N 3.23Å; Y54-S58 PolarHBondContact O-OG 2.96Å; Q56-S58 PolarHBondContact O-N 3.26Å; S58-K60 PolarHBondContact O-N 3.26Å; S58-K60 WeakPolarHBondContact OG-CB 3.46Å
59	K	97.8	Very high	98.3	Very high	160 Å²	160	52.8 Å²	52.8	70%	0.696	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.2	-172.7	-59.7	-174.8	176.3	-175.9	0	112.8	A55	A55-K59 WeakPolarHBondContact O-CA 3.49Å; A55-K59 PolarHBondContact O-N 3.34Å
60	K	98.4	Very high	98.1	Very high	69 Å²	69	53.6 Å²	53.6	30%	0.3	25%	0.253	S	S	.	.			trans	-110.7	135.9	174.3	-67.5	-176.3	-175.1	-171.6	0	109	A55 S58 N93 K94 I96	A55-K60 CarbonylContact C-O 3.56Å; A55-K60 WeakPolarHBondContact CA-O 3.39Å; A55-K60 VanDerWaalsContact CB-O 3.22Å; A55-K60 WeakPolarHBondContact CB-O 3.16Å; A55-K60 PolarHBondContact O-N 2.88Å; S58-K60 PolarHBondContact O-N 3.26Å; S58-K60 WeakPolarHBondContact OG-CB 3.46Å; K60-N93 WeakPolarHBondContact CE-O 3.4Å; K60-N93 PolarHBondContact NZ-O 2.92Å; K60-K94 WeakPolarHBondContact CB-O 3.25Å; K60-I96 HydrophobicContact CB-CD1 4.37Å; K60-I96 HydrophobicContact CB-CG1 4.18Å; K60-I96 HydrophobicContact CD-CD1 4.33Å
61	P	98.8	Very high	98	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.019	24%	0.244	C	C	.	.			trans	-60.5	149.9	172.1	-17.3	29.4	0	0	0	110.9	F95 I96 V122 A158 L159 L161	P61-F95 HydrophobicContact CB-CD1 3.9Å; P61-F95 HydrophobicContact CB-CE1 3.74Å; P61-F95 HydrophobicContact CG-CD1 4.46Å; P61-F95 HydrophobicContact CG-CE1 4.12Å; P61-F95 WeakPolarHBondContact O-CA 3.31Å; P61-F95 WeakPolarHBondContact O-CD1 3.25Å; P61-I96 PolarHBondContact O-N 3.45Å; P61-V122 CarbonylContact C-O 3.55Å; P61-V122 VanDerWaalsContact CA-O 3.28Å; P61-V122 WeakPolarHBondContact CA-O 3.1Å; P61-V122 WeakPolarHBondContact CB-O 3.43Å; P61-A158 VanDerWaalsContact CG-O 3.27Å; P61-A158 WeakPolarHBondContact CG-O 3.41Å; P61-L159 HydrophobicContact CG-CD2 4.23Å; P61-L161 HydrophobicContact CG-CD2 3.7Å
62	L	98.9	Very high	98	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.1	170	169.8	65.3	0	0	0	109.1	Y48 L52 A55 V64 I96 L98 F121 V122	Y48-L62 HydrophobicContact CD2-CD2 3.81Å; Y48-L62 HydrophobicContact CE2-CD2 3.71Å; L52-L62 HydrophobicContact CD2-CD2 4.06Å; L52-L62 HydrophobicContact CG-CD2 4.43Å; A55-L62 HydrophobicContact CB-CB 4.07Å; L62-V64 HydrophobicContact CD1-CG2 4.3Å; L62-V64 HydrophobicContact CD2-CG2 3.8Å; L62-V64 HydrophobicContact CG-CG2 3.69Å; L62-I96 WeakPolarHBondContact CA-O 3.42Å; L62-I96 HydrophobicContact CB-CB 4.5Å; L62-I96 HydrophobicContact CD1-CB 4.04Å; L62-I96 HydrophobicContact CD1-CG2 3.88Å; L62-I96 WeakPolarHBondContact CD1-O 3.35Å; L62-L98 HydrophobicContact CD1-CB 3.89Å; L62-F121 CarbonylContact O-C 3.55Å; L62-F121 WeakPolarHBondContact O-CA 3.45Å; L62-V122 HydrophobicContact CB-CB 4.17Å; L62-V122 HydrophobicContact CD2-CG2 4.37Å; L62-V122 PolarHBondContact N-O 3.21Å; L62-V122 PolarHBondContact O-N 2.87Å
63	M	98.9	Very high	98	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.4	170.6	-174.6	176.1	-170.6	0	0	108.7	I65 F81 F95 I96 M97 L98 I119 F121 L151 M155	M63-I65 HydrophobicContact CG-CG1 4.47Å; M63-F81 HydrophobicContact CE-CE2 3.77Å; M63-F81 HydrophobicContact CE-CZ 4.26Å; M63-F95 HydrophobicContact CB-CB 4.46Å; M63-F95 HydrophobicContact CB-CD1 3.93Å; M63-F95 HydrophobicContact CB-CG 4.35Å; M63-I96 PolarHBondContact N-O 2.84Å; M63-M97 HydrophobicContact CB-CE 4.28Å; M63-M97 HydrophobicContact CB-SD 3.76Å; M63-M97 HydrophobicContact CG-CE 4.25Å; M63-M97 HydrophobicContact CG-SD 4.31Å; M63-M97 HydrophobicContact SD-CE 3.7Å; M63-M97 HydrophobicContact SD-SD 3.93Å; M63-L98 PolarHBondContact O-N 3.1Å; M63-I119 HydrophobicContact CE-CD1 4.24Å; M63-I119 HydrophobicContact CE-CG2 3.38Å; M63-I119 HydrophobicContact CG-CG2 4.09Å; M63-F121 HydrophobicContact CB-CD1 4.17Å; M63-F121 HydrophobicContact CB-CE1 4.19Å; M63-F121 HydrophobicContact CE-CE1 3.98Å; M63-F121 HydrophobicContact CE-CZ 4.05Å; M63-F121 HydrophobicContact CG-CD1 4.07Å; M63-F121 HydrophobicContact CG-CE1 3.69Å; M63-F121 HydrophobicContact SD-CE1 3.87Å; M63-L151 HydrophobicContact CE-CD1 4.16Å; M63-M155 HydrophobicContact CE-CE 4.37Å; M63-M155 HydrophobicContact CE-CG 4.08Å; M63-M155 HydrophobicContact CE-SD 4.03Å; M63-M155 HydrophobicContact SD-CE 3.98Å; M63-M155 HydrophobicContact SD-CG 4.39Å; M63-M155 HydrophobicContact SD-SD 4.39Å
64	V	98.9	Very high	98	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.5	-177.7	-170	0	0	0	0	109.7	Y48 L62 H66 L98 L100 L109 I119 M120 V122	Y48-V64 HydrophobicContact CD2-CG2 4.38Å; Y48-V64 HydrophobicContact CE2-CG2 4.27Å; L62-V64 HydrophobicContact CD1-CG2 4.3Å; L62-V64 HydrophobicContact CD2-CG2 3.8Å; L62-V64 HydrophobicContact CG-CG2 3.69Å; V64-H66 VanDerWaalsContact CG1-CE1 3.42Å; V64-H66 WeakPolarHBondContact CG1-CE1 3.13Å; V64-L98 WeakPolarHBondContact CA-O 3.22Å; V64-L98 HydrophobicContact CG1-CD2 4.15Å; V64-L98 HydrophobicContact CG1-CG 4.4Å; V64-L98 HydrophobicContact CG2-CD2 4.38Å; V64-L100 HydrophobicContact CG1-CD1 4.13Å; V64-L109 HydrophobicContact CG2-CD2 4.49Å; V64-I119 WeakPolarHBondContact O-CA 3.18Å; V64-M120 PolarHBondContact N-O 3.43Å; V64-M120 PolarHBondContact O-N 3.17Å; V64-V122 HydrophobicContact CG2-CG2 4.45Å
65	I	98.9	Very high	98	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.4	-179.8	-51.6	-180	0	0	0	109.4	W38 W44 M63 F81 M97 L98 N99 L100 I119	W38-I65 HydrophobicContact CD2-CD1 4.11Å; W38-I65 HydrophobicContact CD2-CG2 4.06Å; W38-I65 HydrophobicContact CE3-CD1 3.72Å; W38-I65 HydrophobicContact CE3-CG2 4.11Å; W38-I65 HydrophobicContact CH2-CG2 3.55Å; W38-I65 HydrophobicContact CZ2-CG2 3.47Å; W38-I65 VanDerWaalsContact CZ2-CG2 3.47Å; W38-I65 HydrophobicContact CZ3-CD1 4.11Å; W38-I65 HydrophobicContact CZ3-CG2 3.86Å; W44-I65 HydrophobicContact CH2-CD1 4.14Å; W44-I65 HydrophobicContact CZ3-CD1 4.49Å; M63-I65 HydrophobicContact CG-CG1 4.47Å; I65-F81 HydrophobicContact CD1-CE1 4.5Å; I65-F81 HydrophobicContact CD1-CE2 4.19Å; I65-F81 HydrophobicContact CD1-CZ 4Å; I65-M97 HydrophobicContact CD1-CE 4.28Å; I65-L98 PolarHBondContact N-O 3.43Å; I65-N99 HydrophobicContact CB-CB 4.07Å; I65-N99 CarbonylContact O-C 3.59Å; I65-N99 VanDerWaalsContact O-CA 3.22Å; I65-N99 WeakPolarHBondContact O-CA 3.41Å; I65-L100 PolarHBondContact O-N 3.44Å; I65-I119 HydrophobicContact CG1-CG1 4.28Å; I65-I119 HydrophobicContact CG2-CG1 4.23Å
66	H	98.9	Very high	98	Very high	3 Å²	3	57.9 Å²	57.9	1%	0.014	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.1	169.8	-58	82.5	0	0	0	109.4	V64 L100 E103 V116 P117 R118	V64-H66 VanDerWaalsContact CG1-CE1 3.42Å; V64-H66 WeakPolarHBondContact CG1-CE1 3.13Å; H66-L100 WeakPolarHBondContact CA-O 3.48Å; H66-E103 IonicContact CD2-OE2 2.76Å; H66-E103 IonicContact NE2-OE2 3.58Å; H66-V116 HydrophobicContact CB-CG1 4.33Å; H66-P117 WeakPolarHBondContact O-CA 3.26Å; H66-R118 HydrophobicContact CB-CB 4.2Å; H66-R118 PolarHBondContact N-O 3.49Å; H66-R118 PolarHBondContact O-N 3.09Å
67	H	98.7	Very high	98	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	26%	0.256	C	S	.	.			trans	-149.7	171.2	-178	71	84	0	0	0	111.9	W38 N99 L100 M101	W38-H67 AromaticContact CD1-CD2 3.94Å; W38-H67 AromaticContact CD1-NE2 3.79Å; W38-H67 AromaticContact CE2-CD2 3.84Å; W38-H67 HydrophobicContact CZ2-CB 3.82Å; W38-H67 AromaticContact NE1-CD2 3.09Å; W38-H67 PolarHBondContact NE1-CD2 3.09Å; W38-H67 AromaticContact NE1-CE1 3.77Å; W38-H67 AromaticContact NE1-CG 3.46Å; W38-H67 AromaticContact NE1-ND1 3.86Å; W38-H67 AromaticContact NE1-NE2 3.3Å; W38-H67 PolarHBondContact NE1-NE2 3.3Å; H67-N99 PolarHBondContact NE2-OD1 3.28Å; H67-L100 PolarHBondContact N-O 3.32Å; H67-M101 VanDerWaalsContact CE1-CG 3.46Å; H67-M101 WeakPolarHBondContact CE1-CG 3.32Å; H67-M101 VanDerWaalsContact O-CA 3.28Å; H67-M101 WeakPolarHBondContact O-CA 3.5Å
68	L	97.8	Very high	98	Very high	83 Å²	83	47.5 Å²	47.5	44%	0.435	23%	0.234	S	C	.	.			trans	-129.5	144.5	168.4	-68.6	173.4	0	0	0	109.5	D70 C71 S74 V116	L68-D70 VanDerWaalsContact C-N 3.31Å; L68-D70 PolarHBondContact O-N 3.31Å; L68-C71 HydrophobicContact CB-CB 3.91Å; L68-S74 PolarHBondContact N-OG 3.47Å; L68-S74 WeakPolarHBondContact O-CB 3.26Å; L68-V116 HydrophobicContact CB-CG2 4.28Å; L68-V116 HydrophobicContact CD1-CG2 3.82Å; L68-V116 HydrophobicContact CG-CG1 4.43Å; L68-V116 HydrophobicContact CG-CG2 3.91Å
69	E	93.4	Very high	98.1	Very high	51 Å²	51	50.5 Å²	50.5	24%	0.238	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-45.5	173.3	-80.3	-176	176.2	0	0	111.2	R29 Q32 C71 Q75 M101	R29-E69 IonicContact NH1-OE2 2.97Å; R29-E69 PolarHBondContact NH1-OE2 2.79Å; R29-E69 VanDerWaalsContact NH1-OE2 3.17Å; Q32-E69 PolarHBondContact NE2-OE1 3Å; E69-C71 VanDerWaalsContact C-N 3.29Å; E69-C71 PolarHBondContact O-N 3.35Å; E69-Q75 PolarHBondContact O-NE2 2.95Å; E69-M101 HydrophobicContact CG-SD 3.82Å
70	D	94.5	Very high	98.1	Very high	131 Å²	131	44.7 Å²	44.7	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	45.8	-175.3	-61	-32.3	0	0	0	111.7	L68	L68-D70 VanDerWaalsContact C-N 3.31Å; L68-D70 PolarHBondContact O-N 3.31Å
71	C	97.4	Very high	98.1	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.128	21%	0.206	C	C	.	.			trans	-132.2	115.5	176.6	174.6	0	0	0	0	111.2	L68 E69 Y73 S74 Q75 V116	L68-C71 HydrophobicContact CB-CB 3.91Å; E69-C71 VanDerWaalsContact C-N 3.29Å; E69-C71 PolarHBondContact O-N 3.35Å; C71-Y73 VanDerWaalsContact C-N 3.27Å; C71-Y73 PolarHBondContact O-N 3Å; C71-S74 WeakPolarHBondContact O-CB 3.26Å; C71-S74 PolarHBondContact O-N 2.9Å; C71-S74 VanDerWaalsContact O-N 3.1Å; C71-S74 PolarHBondContact SG-OG 3.14Å; C71-Q75 WeakPolarHBondContact O-CG 3.47Å; C71-Q75 PolarHBondContact O-N 3.04Å; C71-V116 HydrophobicContact CB-CG2 4.34Å
72	Q	98.3	Very high	98.1	Very high	131 Å²	131	43.3 Å²	43.3	61%	0.612	22%	0.219	S	C	*	.	H	α-helix	trans	-57	-38	-177.7	70	-177.5	13.9	0	0	113.4	Q75 A76	Q72-Q75 PolarHBondContact O-N 3.47Å; Q72-A76 WeakPolarHBondContact O-CB 3.48Å; Q72-A76 PolarHBondContact O-N 3.23Å
73	Y	98.3	Very high	98.1	Very high	117 Å²	117	49.8 Å²	49.8	46%	0.459	25%	0.25	S	C	.	.	H	α-helix	trans	-69.9	-39.5	179.6	-61	-81.7	0	0	0	111.5	C71 L77	C71-Y73 VanDerWaalsContact C-N 3.27Å; C71-Y73 PolarHBondContact O-N 3Å; Y73-L77 PolarHBondContact O-N 3.09Å; Y73-L77 VanDerWaalsContact O-N 3.08Å
74	S	98.4	Very high	98.1	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-43.8	174.7	-65.8	0	0	0	0	111.1	L68 C71 K78	L68-S74 PolarHBondContact N-OG 3.47Å; L68-S74 WeakPolarHBondContact O-CB 3.26Å; C71-S74 WeakPolarHBondContact O-CB 3.26Å; C71-S74 PolarHBondContact O-N 2.9Å; C71-S74 VanDerWaalsContact O-N 3.1Å; C71-S74 PolarHBondContact SG-OG 3.14Å; S74-K78 WeakPolarHBondContact O-CB 3.4Å; S74-K78 PolarHBondContact O-N 3.15Å
75	Q	98.6	Very high	98.1	Very high	95 Å²	95	60 Å²	60	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-45.7	178	-69.1	177.9	-0.9	0	0	112	E69 C71 Q72 K78 Q79	E69-Q75 PolarHBondContact O-NE2 2.95Å; C71-Q75 WeakPolarHBondContact O-CG 3.47Å; C71-Q75 PolarHBondContact O-N 3.04Å; Q72-Q75 PolarHBondContact O-N 3.47Å; Q75-K78 PolarHBondContact O-N 2.99Å; Q75-Q79 PolarHBondContact O-N 2.88Å
76	A	98.6	Very high	98	Very high	35 Å²	35	64 Å²	64	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-47.1	-179.7	0	0	0	0	0	112.1	Q72 Q79 V80 P145	Q72-A76 WeakPolarHBondContact O-CB 3.48Å; Q72-A76 PolarHBondContact O-N 3.23Å; A76-Q79 PolarHBondContact O-N 2.84Å; A76-V80 PolarHBondContact O-N 3.27Å; A76-P145 HydrophobicContact CB-CG 3.78Å
77	L	98.8	Very high	98	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-44.4	177.3	-179.2	62.7	0	0	0	111.4	W38 Y73 Q79 V80 F81 P117 I119 Y143 L148	W38-L77 HydrophobicContact CH2-CB 4.41Å; W38-L77 HydrophobicContact CH2-CD2 4.02Å; W38-L77 HydrophobicContact CH2-CG 4.09Å; W38-L77 HydrophobicContact CZ3-CD2 4.34Å; W38-L77 HydrophobicContact CZ3-CG 4.18Å; Y73-L77 PolarHBondContact O-N 3.09Å; Y73-L77 VanDerWaalsContact O-N 3.08Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-Q79 PolarHBondContact O-N 2.93Å; L77-V80 HydrophobicContact CD1-CG2 4.31Å; L77-V80 VanDerWaalsContact O-CG2 3.26Å; L77-V80 WeakPolarHBondContact O-CG2 3.28Å; L77-V80 PolarHBondContact O-N 2.87Å; L77-F81 VanDerWaalsContact O-CB 3.23Å; L77-F81 WeakPolarHBondContact O-CB 3.37Å; L77-F81 PolarHBondContact O-N 3.03Å; L77-P117 HydrophobicContact CB-CG 4.38Å; L77-P117 HydrophobicContact CD2-CB 3.98Å; L77-P117 HydrophobicContact CD2-CG 3.83Å; L77-I119 HydrophobicContact CD2-CD1 3.98Å; L77-Y143 WeakPolarHBondContact CD2-O 3.3Å; L77-L148 HydrophobicContact CD1-CD1 4.43Å
78	K	98.6	Very high	98.1	Very high	44 Å²	44	64.7 Å²	64.7	19%	0.191	32%	0.321	C	S	.	.	H	α-helix	trans	-56.5	-40.8	178.6	179.4	173.6	74.6	178.5	0	112.7	R36 G37 W38 S74 Q75 F81 S82	R36-K78 WeakPolarHBondContact O-CD 3.31Å; R36-K78 WeakPolarHBondContact O-CE 3.5Å; R36-K78 PolarHBondContact O-NZ 2.87Å; G37-K78 VanDerWaalsContact O-CG 3.22Å; G37-K78 WeakPolarHBondContact O-CG 3.32Å; W38-K78 HydrophobicContact CD2-CB 4.05Å; W38-K78 HydrophobicContact CD2-CD 4.22Å; W38-K78 HydrophobicContact CD2-CG 3.8Å; W38-K78 HydrophobicContact CE3-CB 4.26Å; W38-K78 HydrophobicContact CE3-CG 4.31Å; W38-K78 HydrophobicContact CG-CD 4.06Å; W38-K78 HydrophobicContact CG-CG 3.92Å; W38-K78 HydrophobicContact CH2-CB 4.11Å; W38-K78 HydrophobicContact CZ2-CB 3.89Å; W38-K78 HydrophobicContact CZ2-CG 4.43Å; W38-K78 HydrophobicContact CZ3-CB 4.3Å; S74-K78 WeakPolarHBondContact O-CB 3.4Å; S74-K78 PolarHBondContact O-N 3.15Å; Q75-K78 PolarHBondContact O-N 2.99Å; K78-F81 PolarHBondContact O-N 2.6Å; K78-S82 WeakPolarHBondContact O-CB 3.27Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.42Å; K78-S82 VanDerWaalsContact O-OG 3.09Å
79	Q	98.4	Very high	98.1	Very high	114 Å²	114	64.6 Å²	64.6	53%	0.533	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-49.5	179	-179.9	179	-14.7	0	0	111.8	Q75 A76 L77 F81 S82 Q83	Q75-Q79 PolarHBondContact O-N 2.88Å; A76-Q79 PolarHBondContact O-N 2.84Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-Q79 PolarHBondContact O-N 2.93Å; Q79-F81 VanDerWaalsContact C-N 3.34Å; Q79-S82 PolarHBondContact O-OG 2.8Å; Q79-Q83 VanDerWaalsContact O-CG 3.28Å; Q79-Q83 WeakPolarHBondContact O-CG 3.39Å; Q79-Q83 PolarHBondContact O-N 2.51Å
80	V	98.7	Very high	98.4	Very high	38 Å²	38	62.5 Å²	62.5	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-73.7	-28.7	-179.5	-61.5	0	0	0	0	112.3	A76 L77 N84 P145 L148	A76-V80 PolarHBondContact O-N 3.27Å; L77-V80 HydrophobicContact CD1-CG2 4.31Å; L77-V80 VanDerWaalsContact O-CG2 3.26Å; L77-V80 WeakPolarHBondContact O-CG2 3.28Å; L77-V80 PolarHBondContact O-N 2.87Å; V80-N84 WeakPolarHBondContact O-CB 3.49Å; V80-N84 PolarHBondContact O-N 2.85Å; V80-P145 HydrophobicContact CG1-CB 4.12Å; V80-P145 HydrophobicContact CG2-CB 3.97Å; V80-P145 HydrophobicContact CG2-CG 4.49Å; V80-L148 HydrophobicContact CB-CD2 4.09Å; V80-L148 HydrophobicContact CG2-CD1 3.95Å; V80-L148 HydrophobicContact CG2-CD2 4.2Å
81	F	98.8	Very high	98.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-45.1	174.6	-175.7	-76.4	0	0	0	111.9	W38 I42 M63 I65 L77 K78 Q79 Q83 I87 Q88 M97 L151	W38-F81 HydrophobicContact CE3-CB 3.99Å; W38-F81 AromaticContact CE3-CD1 3.75Å; W38-F81 HydrophobicContact CE3-CD1 3.75Å; W38-F81 HydrophobicContact CE3-CD2 4.11Å; W38-F81 HydrophobicContact CE3-CE1 4.26Å; W38-F81 AromaticContact CE3-CG 3.68Å; W38-F81 HydrophobicContact CE3-CG 3.68Å; W38-F81 HydrophobicContact CZ3-CB 4Å; W38-F81 HydrophobicContact CZ3-CD1 4.45Å; W38-F81 HydrophobicContact CZ3-CD2 4.05Å; W38-F81 AromaticContact CZ3-CG 3.92Å; W38-F81 HydrophobicContact CZ3-CG 3.92Å; W38-F81 WeakPolarHBondContact O-CD1 3.23Å; W38-F81 VanDerWaalsContact O-CE1 3.27Å; W38-F81 WeakPolarHBondContact O-CE1 3.42Å; I42-F81 HydrophobicContact CD1-CE1 4.37Å; M63-F81 HydrophobicContact CE-CE2 3.77Å; M63-F81 HydrophobicContact CE-CZ 4.26Å; I65-F81 HydrophobicContact CD1-CE1 4.5Å; I65-F81 HydrophobicContact CD1-CE2 4.19Å; I65-F81 HydrophobicContact CD1-CZ 4Å; L77-F81 VanDerWaalsContact O-CB 3.23Å; L77-F81 WeakPolarHBondContact O-CB 3.37Å; L77-F81 PolarHBondContact O-N 3.03Å; K78-F81 PolarHBondContact O-N 2.6Å; Q79-F81 VanDerWaalsContact C-N 3.34Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 2.91Å; F81-I87 HydrophobicContact CD1-CG2 3.87Å; F81-I87 HydrophobicContact CD2-CD1 4.24Å; F81-I87 HydrophobicContact CD2-CG2 3.61Å; F81-I87 HydrophobicContact CE1-CG2 3.59Å; F81-I87 HydrophobicContact CE2-CG2 3.31Å; F81-I87 HydrophobicContact CG-CG2 3.88Å; F81-I87 HydrophobicContact CZ-CG2 3.3Å; F81-Q88 PolarHBondContact O-NE2 2.87Å; F81-M97 HydrophobicContact CZ-CE 4.07Å; F81-L151 HydrophobicContact CD2-CD2 3.95Å; F81-L151 HydrophobicContact CE2-CD2 4.23Å
82	S	98.4	Very high	98.6	Very high	43 Å²	43	59.2 Å²	59.2	30%	0.301	29%	0.287	S	S	.	.	H	α-helix	trans	-72.7	-23.8	-178.4	60.5	0	0	0	0	113.5	G37 K78 Q79	G37-S82 WeakPolarHBondContact O-CB 3.49Å; K78-S82 WeakPolarHBondContact O-CB 3.27Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.42Å; K78-S82 VanDerWaalsContact O-OG 3.09Å; Q79-S82 PolarHBondContact O-OG 2.8Å
83	Q	98.5	Very high	98.6	Very high	137 Å²	137	56.6 Å²	56.6	64%	0.64	28%	0.277	S	S	*	.	H	α-helix	trans	-90.1	-12.2	179.6	-67.7	175	-2.1	0	0	113.7	Q79 F81 E85	Q79-Q83 VanDerWaalsContact O-CG 3.28Å; Q79-Q83 WeakPolarHBondContact O-CG 3.39Å; Q79-Q83 PolarHBondContact O-N 2.51Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 2.91Å; Q83-E85 PolarHBondContact O-N 3.44Å
84	N	98.8	Very high	98.6	Very high	42 Å²	42	55.7 Å²	55.7	23%	0.225	28%	0.276	C	S	.	.			trans	-88.8	111.2	-176.8	-175.4	-81.5	0	0	0	111.5	V80 E86 I87 Q88 L148	V80-N84 WeakPolarHBondContact O-CB 3.49Å; V80-N84 PolarHBondContact O-N 2.85Å; N84-E86 VanDerWaalsContact C-N 3.32Å; N84-E86 PolarHBondContact O-N 2.82Å; N84-E86 PolarHBondContact OD1-N 2.9Å; N84-I87 HydrophobicContact CB-CB 4.18Å; N84-I87 HydrophobicContact CB-CD1 4.14Å; N84-I87 HydrophobicContact CB-CG1 4.31Å; N84-I87 PolarHBondContact O-N 3.34Å; N84-I87 WeakPolarHBondContact OD1-CG1 3.22Å; N84-I87 PolarHBondContact OD1-N 3.02Å; N84-Q88 WeakPolarHBondContact O-CG 3.5Å; N84-Q88 PolarHBondContact O-N 3.42Å; N84-L148 HydrophobicContact CB-CD2 4Å
85	E	98.6	Very high	98.7	Very high	173 Å²	173	55.9 Å²	55.9	81%	0.808	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-38.2	-176.1	-64.3	-179.5	178.3	0	0	113.5	Q83 Q88 E89	Q83-E85 PolarHBondContact O-N 3.44Å; E85-Q88 PolarHBondContact O-N 3.5Å; E85-E89 WeakPolarHBondContact O-CB 3.27Å; E85-E89 PolarHBondContact O-N 3.41Å
86	E	98.7	Very high	98.7	Very high	84 Å²	84	52.5 Å²	52.5	39%	0.393	26%	0.261	S	S	.	.	H	α-helix	trans	-68.2	-42.2	-179.2	-173	178.1	-172.3	0	0	111.7	N84 M90 I152 K156	N84-E86 VanDerWaalsContact C-N 3.32Å; N84-E86 PolarHBondContact O-N 2.82Å; N84-E86 PolarHBondContact OD1-N 2.9Å; E86-M90 HydrophobicContact CG-CE 4.26Å; E86-M90 PolarHBondContact O-N 3Å; E86-M90 VanDerWaalsContact O-N 3.09Å; E86-I152 HydrophobicContact CG-CG2 4.46Å; E86-K156 WeakPolarHBondContact OE1-CE 3.3Å; E86-K156 IonicContact OE1-NZ 2.64Å; E86-K156 PolarHBondContact OE1-NZ 2.71Å
87	I	98.8	Very high	98.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-46.4	173.4	-72.5	177.9	0	0	0	110.4	F81 N84 E89 M90 A91 L148 L151 I152 M155	F81-I87 HydrophobicContact CD1-CG2 3.87Å; F81-I87 HydrophobicContact CD2-CD1 4.24Å; F81-I87 HydrophobicContact CD2-CG2 3.61Å; F81-I87 HydrophobicContact CE1-CG2 3.59Å; F81-I87 HydrophobicContact CE2-CG2 3.31Å; F81-I87 HydrophobicContact CG-CG2 3.88Å; F81-I87 HydrophobicContact CZ-CG2 3.3Å; N84-I87 HydrophobicContact CB-CB 4.18Å; N84-I87 HydrophobicContact CB-CD1 4.14Å; N84-I87 HydrophobicContact CB-CG1 4.31Å; N84-I87 PolarHBondContact O-N 3.34Å; N84-I87 WeakPolarHBondContact OD1-CG1 3.22Å; N84-I87 PolarHBondContact OD1-N 3.02Å; I87-E89 PolarHBondContact O-N 3.48Å; I87-M90 PolarHBondContact O-N 3.43Å; I87-A91 WeakPolarHBondContact O-CB 3.16Å; I87-A91 PolarHBondContact O-N 2.93Å; I87-L148 HydrophobicContact CD1-CD1 3.38Å; I87-L148 HydrophobicContact CD1-CD2 4.3Å; I87-L148 HydrophobicContact CD1-CG 3.72Å; I87-L151 HydrophobicContact CD1-CD2 4.27Å; I87-I152 HydrophobicContact CD1-CD1 4.39Å; I87-I152 HydrophobicContact CD1-CG1 3.93Å; I87-I152 HydrophobicContact CG1-CD1 4.21Å; I87-I152 HydrophobicContact CG1-CG1 3.61Å; I87-M155 HydrophobicContact CB-SD 4.49Å; I87-M155 HydrophobicContact CG1-SD 3.99Å; I87-M155 HydrophobicContact CG2-CE 4.26Å; I87-M155 HydrophobicContact CG2-SD 4.24Å
88	Q	98.8	Very high	98.7	Very high	19 Å²	19	51 Å²	51	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-41.5	-179.5	-68.6	-60.1	-58.8	0	0	111.6	W38 F81 N84 E85 A91 Q92	W38-Q88 PolarHBondContact O-NE2 3.04Å; W38-Q88 VanDerWaalsContact O-NE2 3.15Å; F81-Q88 PolarHBondContact O-NE2 2.87Å; N84-Q88 WeakPolarHBondContact O-CG 3.5Å; N84-Q88 PolarHBondContact O-N 3.42Å; E85-Q88 PolarHBondContact O-N 3.5Å; Q88-A91 PolarHBondContact O-N 2.84Å; Q88-Q92 WeakPolarHBondContact O-CB 3.49Å; Q88-Q92 WeakPolarHBondContact O-CG 3.28Å; Q88-Q92 PolarHBondContact O-N 3.13Å
89	E	98.8	Very high	98.7	Very high	80 Å²	80	49.1 Å²	49.1	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-50.8	174.9	-170.2	-72.1	140.8	0	0	111.2	E85 I87 A91 Q92 N93	E85-E89 WeakPolarHBondContact O-CB 3.27Å; E85-E89 PolarHBondContact O-N 3.41Å; I87-E89 PolarHBondContact O-N 3.48Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-A91 PolarHBondContact O-N 3.19Å; E89-Q92 PolarHBondContact O-N 2.85Å; E89-N93 WeakPolarHBondContact O-CB 3.35Å; E89-N93 PolarHBondContact O-N 3.13Å; E89-N93 PolarHBondContact O-ND2 2.84Å; E89-N93 WeakPolarHBondContact OE1-CB 3.4Å; E89-N93 PolarHBondContact OE1-ND2 3.31Å
90	M	98.8	Very high	98.7	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.039	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-44	178.9	-74.7	-167.2	-70.9	0	0	111.2	E86 I87 Q92 N93 K94 F95 I152 M155 K156 L159	E86-M90 HydrophobicContact CG-CE 4.26Å; E86-M90 PolarHBondContact O-N 3Å; E86-M90 VanDerWaalsContact O-N 3.09Å; I87-M90 PolarHBondContact O-N 3.43Å; M90-Q92 PolarHBondContact O-N 3.29Å; M90-N93 PolarHBondContact O-N 3.37Å; M90-K94 WeakPolarHBondContact O-CA 3.13Å; M90-K94 VanDerWaalsContact O-CB 3.32Å; M90-K94 WeakPolarHBondContact O-CB 3.39Å; M90-K94 PolarHBondContact O-N 2.87Å; M90-F95 HydrophobicContact CB-CD2 4.29Å; M90-F95 HydrophobicContact CB-CE2 4.25Å; M90-F95 WeakPolarHBondContact O-CD2 3.39Å; M90-F95 PolarHBondContact O-N 2.87Å; M90-I152 HydrophobicContact CE-CG2 4.13Å; M90-M155 HydrophobicContact CB-CE 3.69Å; M90-M155 HydrophobicContact CE-CB 3.75Å; M90-M155 HydrophobicContact CE-CE 3.82Å; M90-M155 HydrophobicContact CE-CG 4.43Å; M90-M155 HydrophobicContact CE-SD 3.85Å; M90-M155 HydrophobicContact SD-CB 4.05Å; M90-M155 HydrophobicContact SD-CE 4.47Å; M90-K156 HydrophobicContact SD-CG 4.12Å; M90-L159 HydrophobicContact SD-CD1 4.21Å
91	A	98.8	Very high	98.6	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-42.7	-180	0	0	0	0	0	112.4	I42 I87 Q88 E89 M97	I42-A91 HydrophobicContact CD1-CB 3.52Å; I42-A91 HydrophobicContact CG1-CB 3.93Å; I87-A91 WeakPolarHBondContact O-CB 3.16Å; I87-A91 PolarHBondContact O-N 2.93Å; Q88-A91 PolarHBondContact O-N 2.84Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-A91 PolarHBondContact O-N 3.19Å; A91-M97 HydrophobicContact CB-CE 3.72Å; A91-M97 HydrophobicContact CB-CG 4.02Å; A91-M97 HydrophobicContact CB-SD 3.71Å; A91-M97 WeakPolarHBondContact O-CG 3.38Å
92	Q	98.7	Very high	98.5	Very high	78 Å²	78	52.4 Å²	52.4	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-71.2	-42.3	178.7	-69.7	172	31.8	0	0	112	I42 Q88 E89 M90	I42-Q92 HydrophobicContact CB-CG 4.45Å; I42-Q92 HydrophobicContact CG1-CG 3.76Å; Q88-Q92 WeakPolarHBondContact O-CB 3.49Å; Q88-Q92 WeakPolarHBondContact O-CG 3.28Å; Q88-Q92 PolarHBondContact O-N 3.13Å; E89-Q92 PolarHBondContact O-N 2.85Å; M90-Q92 PolarHBondContact O-N 3.29Å
93	N	98.4	Very high	98.5	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-104	-27.4	-164.5	-63.1	-40.9	0	0	0	114	K60 E89 M90	K60-N93 WeakPolarHBondContact CE-O 3.4Å; K60-N93 PolarHBondContact NZ-O 2.92Å; E89-N93 WeakPolarHBondContact O-CB 3.35Å; E89-N93 PolarHBondContact O-N 3.13Å; E89-N93 PolarHBondContact O-ND2 2.84Å; E89-N93 WeakPolarHBondContact OE1-CB 3.4Å; E89-N93 PolarHBondContact OE1-ND2 3.31Å; M90-N93 PolarHBondContact O-N 3.37Å
94	K	98.6	Very high	98.4	Very high	99 Å²	99	48.2 Å²	48.2	43%	0.43	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-17.8	-166.3	-49.7	-61.5	-179.5	-177.9	0	114.3	K60 M90 L159	K60-K94 WeakPolarHBondContact CB-O 3.25Å; M90-K94 WeakPolarHBondContact O-CA 3.13Å; M90-K94 VanDerWaalsContact O-CB 3.32Å; M90-K94 WeakPolarHBondContact O-CB 3.39Å; M90-K94 PolarHBondContact O-N 2.87Å; K94-L159 HydrophobicContact CB-CD1 4.1Å; K94-L159 HydrophobicContact CB-CD2 3.68Å; K94-L159 HydrophobicContact CG-CD1 4.38Å
95	F	98.9	Very high	98.2	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.031	26%	0.258	C	S	.	.			trans	-117	157.7	-179.6	-73.5	-89	0	0	0	112.6	P61 M63 M90 M97 F121 M155 A158 L159	P61-F95 HydrophobicContact CB-CD1 3.9Å; P61-F95 HydrophobicContact CB-CE1 3.74Å; P61-F95 HydrophobicContact CG-CD1 4.46Å; P61-F95 HydrophobicContact CG-CE1 4.12Å; P61-F95 WeakPolarHBondContact O-CA 3.31Å; P61-F95 WeakPolarHBondContact O-CD1 3.25Å; M63-F95 HydrophobicContact CB-CB 4.46Å; M63-F95 HydrophobicContact CB-CD1 3.93Å; M63-F95 HydrophobicContact CB-CG 4.35Å; M90-F95 HydrophobicContact CB-CD2 4.29Å; M90-F95 HydrophobicContact CB-CE2 4.25Å; M90-F95 WeakPolarHBondContact O-CD2 3.39Å; M90-F95 PolarHBondContact O-N 2.87Å; F95-M97 HydrophobicContact CB-CG 4.24Å; F95-M97 HydrophobicContact CB-SD 3.55Å; F95-M97 VanDerWaalsContact CB-SD 3.55Å; F95-M97 HydrophobicContact CG-SD 4.37Å; F95-F121 HydrophobicContact CD1-CD1 4.5Å; F95-F121 AromaticContact CE1-CD1 3.78Å; F95-F121 HydrophobicContact CE1-CD1 3.78Å; F95-F121 AromaticContact CE1-CE1 3.97Å; F95-F121 HydrophobicContact CE1-CE1 3.97Å; F95-F121 HydrophobicContact CZ-CD1 4.43Å; F95-F121 HydrophobicContact CZ-CE1 4.24Å; F95-M155 HydrophobicContact CD2-CE 4.24Å; F95-M155 HydrophobicContact CE2-CB 4.16Å; F95-M155 HydrophobicContact CE2-CE 4.05Å; F95-M155 HydrophobicContact CZ-CB 4.14Å; F95-M155 WeakPolarHBondContact CZ-O 3.42Å; F95-A158 HydrophobicContact CE1-CB 3.96Å; F95-A158 HydrophobicContact CZ-CB 4.06Å; F95-L159 HydrophobicContact CD2-CD2 4.2Å; F95-L159 HydrophobicContact CE1-CD2 4.25Å; F95-L159 HydrophobicContact CE2-CD1 4.18Å; F95-L159 HydrophobicContact CE2-CD2 3.62Å; F95-L159 HydrophobicContact CE2-CG 3.82Å; F95-L159 HydrophobicContact CZ-CD2 3.64Å; F95-L159 HydrophobicContact CZ-CG 3.75Å
96	I	98.9	Very high	98.2	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.3	152.9	-54.1	-54.5	0	0	0	106.7	V45 A55 K60 P61 L62 M63	V45-I96 HydrophobicContact CG1-CG2 3.76Å; V45-I96 HydrophobicContact CG2-CG2 3.99Å; A55-I96 HydrophobicContact CB-CG1 4.29Å; K60-I96 HydrophobicContact CB-CD1 4.37Å; K60-I96 HydrophobicContact CB-CG1 4.18Å; K60-I96 HydrophobicContact CD-CD1 4.33Å; P61-I96 PolarHBondContact O-N 3.45Å; L62-I96 WeakPolarHBondContact CA-O 3.42Å; L62-I96 HydrophobicContact CB-CB 4.5Å; L62-I96 HydrophobicContact CD1-CB 4.04Å; L62-I96 HydrophobicContact CD1-CG2 3.88Å; L62-I96 WeakPolarHBondContact CD1-O 3.35Å; M63-I96 PolarHBondContact N-O 2.84Å
97	M	98.9	Very high	98.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.6	-169.4	-64.7	-61.8	-61.8	0	0	111.3	I42 W44 V45 M63 I65 F81 A91 F95	I42-M97 HydrophobicContact CG2-CB 3.56Å; I42-M97 HydrophobicContact CG2-CG 3.61Å; W44-M97 HydrophobicContact CD2-CB 4.31Å; W44-M97 HydrophobicContact CE3-CB 3.79Å; W44-M97 HydrophobicContact CH2-CB 4.43Å; W44-M97 HydrophobicContact CH2-CE 3.91Å; W44-M97 HydrophobicContact CZ3-CB 3.87Å; W44-M97 HydrophobicContact CZ3-CE 4.11Å; V45-M97 VanDerWaalsContact CG2-O 3.25Å; V45-M97 WeakPolarHBondContact CG2-O 3.23Å; V45-M97 PolarHBondContact N-O 3.48Å; M63-M97 HydrophobicContact CB-CE 4.28Å; M63-M97 HydrophobicContact CB-SD 3.76Å; M63-M97 HydrophobicContact CG-CE 4.25Å; M63-M97 HydrophobicContact CG-SD 4.31Å; M63-M97 HydrophobicContact SD-CE 3.7Å; M63-M97 HydrophobicContact SD-SD 3.93Å; I65-M97 HydrophobicContact CD1-CE 4.28Å; F81-M97 HydrophobicContact CZ-CE 4.07Å; A91-M97 HydrophobicContact CB-CE 3.72Å; A91-M97 HydrophobicContact CB-CG 4.02Å; A91-M97 HydrophobicContact CB-SD 3.71Å; A91-M97 WeakPolarHBondContact O-CG 3.38Å; F95-M97 HydrophobicContact CB-CG 4.24Å; F95-M97 HydrophobicContact CB-SD 3.55Å; F95-M97 VanDerWaalsContact CB-SD 3.55Å; F95-M97 HydrophobicContact CG-SD 4.37Å
98	L	98.8	Very high	98	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.4	176.4	177.8	61.7	0	0	0	109.9	V45 Y48 L62 M63 V64 I65 L100	V45-L98 HydrophobicContact CG2-CB 3.79Å; V45-L98 HydrophobicContact CG2-CD1 4.08Å; V45-L98 HydrophobicContact CG2-CG 4.42Å; V45-L98 WeakPolarHBondContact O-CD1 3.36Å; Y48-L98 HydrophobicContact CD2-CD2 4.18Å; L62-L98 HydrophobicContact CD1-CB 3.89Å; M63-L98 PolarHBondContact O-N 3.1Å; V64-L98 WeakPolarHBondContact CA-O 3.22Å; V64-L98 HydrophobicContact CG1-CD2 4.15Å; V64-L98 HydrophobicContact CG1-CG 4.4Å; V64-L98 HydrophobicContact CG2-CD2 4.38Å; I65-L98 PolarHBondContact N-O 3.43Å; L98-L100 HydrophobicContact CD1-CD2 3.92Å; L98-L100 HydrophobicContact CD1-CG 4.14Å; L98-L100 HydrophobicContact CD2-CD1 3.96Å; L98-L100 HydrophobicContact CD2-CD2 4.46Å; L98-L100 HydrophobicContact CD2-CG 4.14Å; L98-L100 HydrophobicContact CG-CD1 4.31Å; L98-L100 HydrophobicContact CG-CD2 4.29Å; L98-L100 HydrophobicContact CG-CG 3.96Å
99	N	98.7	Very high	98	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.7	166.1	75.7	91.5	0	0	0	110.7	L34 R36 W44 I65 H67	L34-N99 PolarHBondContact O-ND2 3.04Å; R36-N99 WeakPolarHBondContact CD-OD1 3.46Å; R36-N99 PolarHBondContact NH1-O 3.09Å; R36-N99 VanDerWaalsContact NH1-O 3.17Å; R36-N99 PolarHBondContact NH1-OD1 2.76Å; W44-N99 HydrophobicContact CE3-CB 4.19Å; W44-N99 HydrophobicContact CH2-CB 4.3Å; W44-N99 HydrophobicContact CZ3-CB 3.7Å; W44-N99 WeakPolarHBondContact CZ3-ND2 3.35Å; I65-N99 HydrophobicContact CB-CB 4.07Å; I65-N99 CarbonylContact O-C 3.59Å; I65-N99 VanDerWaalsContact O-CA 3.22Å; I65-N99 WeakPolarHBondContact O-CA 3.41Å; H67-N99 PolarHBondContact NE2-OD1 3.28Å
100	L	98.1	Very high	97.9	Very high	30 Å²	30	51.3 Å²	51.3	16%	0.157	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.6	-172.8	-65.5	173.6	0	0	0	110.5	V64 I65 H66 H67 L98 H102 T104	V64-L100 HydrophobicContact CG1-CD1 4.13Å; I65-L100 PolarHBondContact O-N 3.44Å; H66-L100 WeakPolarHBondContact CA-O 3.48Å; H67-L100 PolarHBondContact N-O 3.32Å; L98-L100 HydrophobicContact CD1-CD2 3.92Å; L98-L100 HydrophobicContact CD1-CG 4.14Å; L98-L100 HydrophobicContact CD2-CD1 3.96Å; L98-L100 HydrophobicContact CD2-CD2 4.46Å; L98-L100 HydrophobicContact CD2-CG 4.14Å; L98-L100 HydrophobicContact CG-CD1 4.31Å; L98-L100 HydrophobicContact CG-CD2 4.29Å; L98-L100 HydrophobicContact CG-CG 3.96Å; L100-H102 WeakPolarHBondContact CB-O 3.37Å; L100-T104 HydrophobicContact CD1-CG2 3.4Å; L100-T104 VanDerWaalsContact CD1-CG2 3.4Å
101	M	97.4	Very high	97.9	Very high	40 Å²	40	54.5 Å²	54.5	20%	0.197	28%	0.279	C	S	.	.	S	Bend	trans	-105.1	-1.6	169.6	-61.1	-175.3	-60.7	0	0	113.2	H67 E69	H67-M101 VanDerWaalsContact CE1-CG 3.46Å; H67-M101 WeakPolarHBondContact CE1-CG 3.32Å; H67-M101 VanDerWaalsContact O-CA 3.28Å; H67-M101 WeakPolarHBondContact O-CA 3.5Å; E69-M101 HydrophobicContact CG-SD 3.82Å
102	H	96.6	Very high	97.8	Very high	151 Å²	151	56.7 Å²	56.7	70%	0.699	29%	0.291	S	S	*	.	S	Bend	trans	-130.5	151.3	176.8	-56.4	98.5	0	0	0	108.3	L100	L100-H102 WeakPolarHBondContact CB-O 3.37Å
103	E	97.6	Very high	97.7	Very high	64 Å²	64	54.4 Å²	54.4	30%	0.299	29%	0.288	S	S	.	.			trans	-69.1	151	-179.8	-67.3	-67.7	154.5	0	0	111.6	H66 Q114 R118	H66-E103 IonicContact CD2-OE2 2.76Å; H66-E103 IonicContact NE2-OE2 3.58Å; E103-Q114 HydrophobicContact CG-CB 4.36Å; E103-Q114 HydrophobicContact CG-CG 4.02Å; E103-R118 VanDerWaalsContact CD-NH2 3.26Å; E103-R118 IonicContact OE1-CZ 2.96Å; E103-R118 IonicContact OE1-NH1 3.96Å; E103-R118 PolarHBondContact OE1-NH1 3.17Å; E103-R118 IonicContact OE1-NH2 3.98Å; E103-R118 PolarHBondContact OE1-NH2 2.77Å; E103-R118 IonicContact OE2-CZ 3.77Å; E103-R118 IonicContact OE2-NH2 3.78Å; E103-R118 PolarHBondContact OE2-NH2 3.18Å
104	T	96.4	Very high	97.7	Very high	29 Å²	29	57.2 Å²	57.2	18%	0.178	30%	0.298	C	S	.	.			trans	-80.6	173.5	170.3	76.2	0	0	0	0	110.8	Y48 L100 D106 L109	Y48-T104 HydrophobicContact CD1-CG2 4.27Å; Y48-T104 HydrophobicContact CG-CG2 4.03Å; L100-T104 HydrophobicContact CD1-CG2 3.4Å; L100-T104 VanDerWaalsContact CD1-CG2 3.4Å; T104-D106 VanDerWaalsContact C-N 3.27Å; T104-D106 PolarHBondContact OG1-N 3.42Å; T104-D106 VanDerWaalsContact OG1-N 3.09Å; T104-D106 PolarHBondContact OG1-O 3.06Å; T104-L109 HydrophobicContact CG2-CD1 3.72Å; T104-L109 WeakPolarHBondContact OG1-CD1 3.42Å
105	T	95.8	Very high	97.7	Very high	127 Å²	127	54.1 Å²	54.1	78%	0.779	28%	0.284	S	S	*	.	S	Bend	trans	-76.3	-15.3	170	53.9	0	0	0	0	112.9	K107	T105-K107 PolarHBondContact O-N 3.43Å
106	D	97.1	Very high	97.7	Very high	36 Å²	36	55.5 Å²	55.5	19%	0.193	29%	0.293	C	S	.	.			trans	-84.5	105.5	-178.3	-175.9	3.1	0	0	0	111.4	Y48 T104 N108 L109	Y48-D106 HydrophobicContact CD1-CB 4.37Å; Y48-D106 HydrophobicContact CE1-CB 3.59Å; Y48-D106 PolarHBondContact OH-OD2 3.32Å; T104-D106 VanDerWaalsContact C-N 3.27Å; T104-D106 PolarHBondContact OG1-N 3.42Å; T104-D106 VanDerWaalsContact OG1-N 3.09Å; T104-D106 PolarHBondContact OG1-O 3.06Å; D106-N108 PolarHBondContact O-N 2.96Å; D106-N108 VanDerWaalsContact O-N 3.17Å; D106-N108 VanDerWaalsContact OD1-CB 3.25Å; D106-N108 WeakPolarHBondContact OD1-CB 3.4Å; D106-N108 PolarHBondContact OD1-N 3.4Å; D106-N108 PolarHBondContact OD1-ND2 2.82Å; D106-L109 PolarHBondContact O-N 2.96Å; D106-L109 VanDerWaalsContact O-N 3.16Å
107	K	97.1	Very high	97.7	Very high	175 Å²	175	54.4 Å²	54.4	76%	0.761	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.9	-17.7	180	-63.8	-177.4	178.9	179.5	0	113.3	T105 L109 S110	T105-K107 PolarHBondContact O-N 3.43Å; K107-L109 PolarHBondContact O-N 2.88Å; K107-S110 PolarHBondContact O-N 2.86Å; K107-S110 VanDerWaalsContact O-N 3.17Å; K107-S110 PolarHBondContact O-OG 2.95Å
108	N	97.8	Very high	97.6	Very high	103 Å²	103	54.3 Å²	54.3	55%	0.551	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15.5	177.1	-58.4	-54.2	0	0	0	112.3	D106 S110 P111 V128	D106-N108 PolarHBondContact O-N 2.96Å; D106-N108 VanDerWaalsContact O-N 3.17Å; D106-N108 VanDerWaalsContact OD1-CB 3.25Å; D106-N108 WeakPolarHBondContact OD1-CB 3.4Å; D106-N108 PolarHBondContact OD1-N 3.4Å; D106-N108 PolarHBondContact OD1-ND2 2.82Å; N108-S110 VanDerWaalsContact C-N 3.3Å; N108-P111 WeakPolarHBondContact O-CD 3.48Å; N108-V128 HydrophobicContact CB-CB 4.16Å; N108-V128 HydrophobicContact CB-CG2 3.68Å; N108-V128 WeakPolarHBondContact O-CG1 3.42Å
109	L	97.8	Very high	97.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-84.2	0.6	173.9	-69.1	178.1	0	0	0	114.3	Y48 V64 T104 D106 K107 R118 M120 V122 V128	Y48-L109 HydrophobicContact CD1-CD1 4.49Å; Y48-L109 HydrophobicContact CD2-CD1 4.06Å; Y48-L109 HydrophobicContact CE1-CD1 4.05Å; Y48-L109 HydrophobicContact CE2-CD1 3.61Å; Y48-L109 HydrophobicContact CG-CD1 4.48Å; V64-L109 HydrophobicContact CG2-CD2 4.49Å; T104-L109 HydrophobicContact CG2-CD1 3.72Å; T104-L109 WeakPolarHBondContact OG1-CD1 3.42Å; D106-L109 PolarHBondContact O-N 2.96Å; D106-L109 VanDerWaalsContact O-N 3.16Å; K107-L109 PolarHBondContact O-N 2.88Å; L109-R118 PolarHBondContact O-NE 3.36Å; L109-R118 PolarHBondContact O-NH2 3.45Å; L109-R118 VanDerWaalsContact O-NH2 3.1Å; L109-M120 HydrophobicContact CD2-CB 3.71Å; L109-M120 HydrophobicContact CD2-CG 4.08Å; L109-V122 HydrophobicContact CD2-CG2 4.09Å; L109-V128 HydrophobicContact CD2-CG1 4.24Å; L109-V128 HydrophobicContact CD2-CG2 4.08Å
110	S	97.4	Very high	97.7	Very high	22 Å²	22	54.1 Å²	54.1	15%	0.154	29%	0.286	C	S	.	.			trans	-142.9	50.3	177.5	66.5	0	0	0	0	112.4	K107 N108 D112 G113	K107-S110 PolarHBondContact O-N 2.86Å; K107-S110 VanDerWaalsContact O-N 3.17Å; K107-S110 PolarHBondContact O-OG 2.95Å; N108-S110 VanDerWaalsContact C-N 3.3Å; S110-D112 PolarHBondContact O-N 2.83Å; S110-G113 WeakPolarHBondContact CB-O 3.31Å; S110-G113 PolarHBondContact O-N 2.97Å
111	P	97.4	Very high	97.7	Very high	75 Å²	75	52.7 Å²	52.7	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.2	-170.6	31.6	-34.7	0	0	0	112.9	N108 M120 Y141	N108-P111 WeakPolarHBondContact O-CD 3.48Å; P111-M120 HydrophobicContact CG-CE 4.41Å; P111-Y141 HydrophobicContact CG-CE2 3.54Å
112	D	97.5	Very high	97.8	Very high	48 Å²	48	50.8 Å²	50.8	26%	0.257	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	14.9	175.4	72.5	-28.5	0	0	0	113.3	S110 Y115 R139 L140 Y141	S110-D112 PolarHBondContact O-N 2.83Å; D112-Y115 WeakPolarHBondContact OD1-CE1 3.47Å; D112-Y115 PolarHBondContact OD1-OH 2.76Å; D112-Y115 WeakPolarHBondContact OD2-CE1 3.49Å; D112-Y115 PolarHBondContact OD2-OH 2.78Å; D112-R139 WeakPolarHBondContact OD2-CA 3.47Å; D112-L140 HydrophobicContact CB-CD1 4.47Å; D112-L140 PolarHBondContact OD2-N 2.96Å; D112-Y141 VanDerWaalsContact OD1-CD2 3.3Å; D112-Y141 WeakPolarHBondContact OD1-CD2 3.44Å; D112-Y141 WeakPolarHBondContact OD1-CE2 3.38Å
113	G	97.4	Very high	97.9	Very high	30 Å²	30	43.9 Å²	43.9	31%	0.309	24%	0.238	S	C	.	.			trans	118.4	177.3	174.7	0	0	0	0	0	115.3	S110	S110-G113 WeakPolarHBondContact CB-O 3.31Å; S110-G113 PolarHBondContact O-N 2.97Å
114	Q	97.9	Very high	97.9	Very high	134 Å²	134	41.6 Å²	41.6	63%	0.626	23%	0.228	S	C	*	.			trans	-107.1	43	-171.8	-64.1	178.3	-8.9	0	0	112.3	E103	E103-Q114 HydrophobicContact CG-CB 4.36Å; E103-Q114 HydrophobicContact CG-CG 4.02Å
115	Y	98.1	Very high	97.9	Very high	35 Å²	35	43.1 Å²	43.1	14%	0.137	24%	0.24	C	C	.	.			trans	-79.4	163.7	174.9	56.2	-97.4	0	0	0	111.4	D112 R118 R139 L140 Y141	D112-Y115 WeakPolarHBondContact OD1-CE1 3.47Å; D112-Y115 PolarHBondContact OD1-OH 2.76Å; D112-Y115 WeakPolarHBondContact OD2-CE1 3.49Å; D112-Y115 PolarHBondContact OD2-OH 2.78Å; Y115-R118 HydrophobicContact CD2-CB 4.36Å; Y115-R118 HydrophobicContact CD2-CG 4.43Å; Y115-R118 HydrophobicContact CE2-CB 4.13Å; Y115-R118 HydrophobicContact CE2-CG 3.8Å; Y115-R118 WeakPolarHBondContact O-CB 3.43Å; Y115-R118 PolarHBondContact O-NH1 2.9Å; Y115-R139 HydrophobicContact CD1-CB 4.4Å; Y115-R139 HydrophobicContact CD1-CG 4.01Å; Y115-R139 HydrophobicContact CD2-CB 4.33Å; Y115-R139 HydrophobicContact CD2-CG 4.4Å; Y115-R139 HydrophobicContact CE1-CB 3.97Å; Y115-R139 HydrophobicContact CE1-CG 4.01Å; Y115-R139 HydrophobicContact CE2-CB 3.91Å; Y115-R139 HydrophobicContact CE2-CG 4.42Å; Y115-R139 HydrophobicContact CG-CG 4.22Å; Y115-R139 WeakPolarHBondContact OH-CA 3.23Å; Y115-L140 PolarHBondContact OH-N 2.86Å; Y115-L140 VanDerWaalsContact OH-N 3.09Å; Y115-Y141 PolarHBondContact OH-N 2.87Å
116	V	98.4	Very high	98	Very high	35 Å²	35	40.8 Å²	40.8	21%	0.212	22%	0.222	C	C	.	.	S	Bend	trans	-133.4	150.9	174.7	-66	0	0	0	0	111.4	H66 L68 C71	H66-V116 HydrophobicContact CB-CG1 4.33Å; L68-V116 HydrophobicContact CB-CG2 4.28Å; L68-V116 HydrophobicContact CD1-CG2 3.82Å; L68-V116 HydrophobicContact CG-CG1 4.43Å; L68-V116 HydrophobicContact CG-CG2 3.91Å; C71-V116 HydrophobicContact CB-CG2 4.34Å
117	P	98.6	Very high	98.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.234	C	C	.	.	S	Bend	cis	-71	149.4	-7.2	30.8	-33.8	0	0	0	111.6	H66 L77 T142	H66-P117 WeakPolarHBondContact O-CA 3.26Å; L77-P117 HydrophobicContact CB-CG 4.38Å; L77-P117 HydrophobicContact CD2-CB 3.98Å; L77-P117 HydrophobicContact CD2-CG 3.83Å; P117-T142 WeakPolarHBondContact O-CA 3.36Å; P117-T142 VanDerWaalsContact O-CB 3.3Å; P117-T142 WeakPolarHBondContact O-CB 3.48Å; P117-T142 PolarHBondContact O-OG1 3.3Å
118	R	98.8	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	121.5	179.3	-164.3	173.9	70	-106.9	9.2	110.3	H66 E103 L109 Y115 Y141	H66-R118 HydrophobicContact CB-CB 4.2Å; H66-R118 PolarHBondContact N-O 3.49Å; H66-R118 PolarHBondContact O-N 3.09Å; E103-R118 VanDerWaalsContact CD-NH2 3.26Å; E103-R118 IonicContact OE1-CZ 2.96Å; E103-R118 IonicContact OE1-NH1 3.96Å; E103-R118 PolarHBondContact OE1-NH1 3.17Å; E103-R118 IonicContact OE1-NH2 3.98Å; E103-R118 PolarHBondContact OE1-NH2 2.77Å; E103-R118 IonicContact OE2-CZ 3.77Å; E103-R118 IonicContact OE2-NH2 3.78Å; E103-R118 PolarHBondContact OE2-NH2 3.18Å; L109-R118 PolarHBondContact O-NE 3.36Å; L109-R118 PolarHBondContact O-NH2 3.45Å; L109-R118 VanDerWaalsContact O-NH2 3.1Å; Y115-R118 HydrophobicContact CD2-CB 4.36Å; Y115-R118 HydrophobicContact CD2-CG 4.43Å; Y115-R118 HydrophobicContact CE2-CB 4.13Å; Y115-R118 HydrophobicContact CE2-CG 3.8Å; Y115-R118 WeakPolarHBondContact O-CB 3.43Å; Y115-R118 PolarHBondContact O-NH1 2.9Å; R118-Y141 CarbonylContact C-O 3.53Å; R118-Y141 WeakPolarHBondContact CA-O 3.37Å
119	I	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.4	-177.7	-59.3	-179.4	0	0	0	109	M63 V64 I65 L77 F121 Y141 Y143 L151	M63-I119 HydrophobicContact CE-CD1 4.24Å; M63-I119 HydrophobicContact CE-CG2 3.38Å; M63-I119 HydrophobicContact CG-CG2 4.09Å; V64-I119 WeakPolarHBondContact O-CA 3.18Å; I65-I119 HydrophobicContact CG1-CG1 4.28Å; I65-I119 HydrophobicContact CG2-CG1 4.23Å; L77-I119 HydrophobicContact CD2-CD1 3.98Å; I119-F121 HydrophobicContact CG2-CE2 4.35Å; I119-F121 HydrophobicContact CG2-CZ 4.1Å; I119-Y141 PolarHBondContact N-O 3.17Å; I119-Y143 HydrophobicContact CB-CD2 4.18Å; I119-Y143 HydrophobicContact CB-CE2 3.97Å; I119-Y143 HydrophobicContact CD1-CD2 4.16Å; I119-Y143 HydrophobicContact CG1-CD2 4.33Å; I119-L151 HydrophobicContact CD1-CD1 3.93Å; I119-L151 HydrophobicContact CD1-CD2 3.8Å; I119-L151 HydrophobicContact CG2-CD1 4.21Å
120	M	98.8	Very high	98.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	150.1	178.1	-60.6	-63	-71.8	0	0	110.3	V64 L109 P111 V128 Y141	V64-M120 PolarHBondContact N-O 3.43Å; V64-M120 PolarHBondContact O-N 3.17Å; L109-M120 HydrophobicContact CD2-CB 3.71Å; L109-M120 HydrophobicContact CD2-CG 4.08Å; P111-M120 HydrophobicContact CG-CE 4.41Å; M120-V128 HydrophobicContact CE-CG1 3.54Å; M120-Y141 HydrophobicContact CE-CD1 4.04Å; M120-Y141 HydrophobicContact CE-CD2 4.19Å; M120-Y141 HydrophobicContact CE-CE1 3.91Å; M120-Y141 HydrophobicContact CE-CE2 4.09Å; M120-Y141 HydrophobicContact CE-CG 4.18Å; M120-Y141 VanDerWaalsContact SD-CB 3.55Å; M120-Y141 HydrophobicContact SD-CD1 3.37Å; M120-Y141 WeakPolarHBondContact SD-CD1 3.49Å; M120-Y141 HydrophobicContact SD-CD2 3.51Å; M120-Y141 VanDerWaalsContact SD-CD2 3.51Å; M120-Y141 HydrophobicContact SD-CE1 3.88Å; M120-Y141 HydrophobicContact SD-CE2 4.03Å; M120-Y141 HydrophobicContact SD-CG 3.15Å
121	F	98.9	Very high	98.1	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.2	172.9	-57.7	-81.4	0	0	0	110.2	L62 M63 F95 I119 R129 I132 L151 N154 M155 A158	L62-F121 CarbonylContact O-C 3.55Å; L62-F121 WeakPolarHBondContact O-CA 3.45Å; M63-F121 HydrophobicContact CB-CD1 4.17Å; M63-F121 HydrophobicContact CB-CE1 4.19Å; M63-F121 HydrophobicContact CE-CE1 3.98Å; M63-F121 HydrophobicContact CE-CZ 4.05Å; M63-F121 HydrophobicContact CG-CD1 4.07Å; M63-F121 HydrophobicContact CG-CE1 3.69Å; M63-F121 HydrophobicContact SD-CE1 3.87Å; F95-F121 HydrophobicContact CD1-CD1 4.5Å; F95-F121 AromaticContact CE1-CD1 3.78Å; F95-F121 HydrophobicContact CE1-CD1 3.78Å; F95-F121 AromaticContact CE1-CE1 3.97Å; F95-F121 HydrophobicContact CE1-CE1 3.97Å; F95-F121 HydrophobicContact CZ-CD1 4.43Å; F95-F121 HydrophobicContact CZ-CE1 4.24Å; I119-F121 HydrophobicContact CG2-CE2 4.35Å; I119-F121 HydrophobicContact CG2-CZ 4.1Å; F121-R129 HydrophobicContact CB-CB 4.13Å; F121-R129 HydrophobicContact CB-CG 4.48Å; F121-R129 WeakPolarHBondContact O-CB 3.35Å; F121-R129 PolarHBondContact O-N 2.89Å; F121-I132 HydrophobicContact CD2-CB 4.19Å; F121-I132 HydrophobicContact CD2-CD1 4.26Å; F121-I132 HydrophobicContact CD2-CG2 3.77Å; F121-I132 HydrophobicContact CE2-CG2 3.83Å; F121-L151 HydrophobicContact CZ-CD1 4.39Å; F121-N154 HydrophobicContact CE2-CB 4.26Å; F121-M155 HydrophobicContact CE1-CG 3.92Å; F121-M155 HydrophobicContact CZ-CG 3.78Å; F121-A158 HydrophobicContact CB-CB 3.9Å; F121-A158 HydrophobicContact CD1-CB 3.6Å; F121-A158 HydrophobicContact CD2-CB 4.2Å; F121-A158 HydrophobicContact CE1-CB 4.13Å; F121-A158 HydrophobicContact CG-CB 3.63Å
122	V	98.8	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.5	173.5	-168.3	0	0	0	0	108.4	Y48 L52 P61 L62 V64 L109 V128	Y48-V122 HydrophobicContact CE2-CG2 4.23Å; L52-V122 HydrophobicContact CD2-CB 4.47Å; L52-V122 HydrophobicContact CD2-CG1 3.82Å; P61-V122 CarbonylContact C-O 3.55Å; P61-V122 VanDerWaalsContact CA-O 3.28Å; P61-V122 WeakPolarHBondContact CA-O 3.1Å; P61-V122 WeakPolarHBondContact CB-O 3.43Å; L62-V122 HydrophobicContact CB-CB 4.17Å; L62-V122 HydrophobicContact CD2-CG2 4.37Å; L62-V122 PolarHBondContact N-O 3.21Å; L62-V122 PolarHBondContact O-N 2.87Å; V64-V122 HydrophobicContact CG2-CG2 4.45Å; L109-V122 HydrophobicContact CD2-CG2 4.09Å; V122-V128 HydrophobicContact CG2-CG2 4.2Å
123	D	98.6	Very high	98.2	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.032	19%	0.192	C	C	.	.			trans	-69.6	151.9	176.9	-174.5	-93.9	0	0	0	110.6	S125 L126 T127 R129 L161 I162	D123-S125 PolarHBondContact O-N 2.68Å; D123-S125 WeakPolarHBondContact OD1-CB 3.22Å; D123-S125 PolarHBondContact OD1-N 2.91Å; D123-S125 PolarHBondContact OD1-OG 2.96Å; D123-L126 WeakPolarHBondContact O-CA 3.37Å; D123-L126 PolarHBondContact O-N 3.09Å; D123-T127 PolarHBondContact N-O 2.79Å; D123-R129 HydrophobicContact CB-CG 4.24Å; D123-L161 WeakPolarHBondContact OD2-CA 3.48Å; D123-I162 HydrophobicContact CB-CD1 3.89Å; D123-I162 HydrophobicContact CB-CG1 4.26Å; D123-I162 PolarHBondContact OD2-N 3.48Å
124	P	98.3	Very high	98.2	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.4	173.4	-27.7	37.2	0	0	0	115.1	L126 L161	P124-L126 PolarHBondContact O-N 3.08Å; P124-L161 HydrophobicContact CG-CD1 4.24Å; P124-L161 HydrophobicContact CG-CD2 3.95Å
125	S	97.3	Very high	98.2	Very high	62 Å²	62	32 Å²	32	43%	0.434	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	1.3	168	65.4	0	0	0	0	114.3	D123 T127	D123-S125 PolarHBondContact O-N 2.68Å; D123-S125 WeakPolarHBondContact OD1-CB 3.22Å; D123-S125 PolarHBondContact OD1-N 2.91Å; D123-S125 PolarHBondContact OD1-OG 2.96Å; S125-T127 PolarHBondContact O-N 2.69Å; S125-T127 PolarHBondContact OG-OG1 3.09Å
126	L	97.6	Very high	98.2	Very high	77 Å²	77	32 Å²	32	40%	0.403	18%	0.181	S	C	.	.	S	Bend	trans	69.1	15.3	-174.6	-45.2	-179.2	0	0	0	113.9	L52 Q56 D123 P124	L52-L126 HydrophobicContact CB-CD2 4.11Å; L52-L126 HydrophobicContact CD2-CD2 4.08Å; Q56-L126 HydrophobicContact CB-CD2 4.27Å; D123-L126 WeakPolarHBondContact O-CA 3.37Å; D123-L126 PolarHBondContact O-N 3.09Å; P124-L126 PolarHBondContact O-N 3.08Å
127	T	97.9	Very high	98.1	Very high	70 Å²	70	35.7 Å²	35.7	43%	0.429	21%	0.208	S	C	.	.			trans	-89.5	124.8	176.9	-58.3	0	0	0	0	110.5	D123 S125 R129 I162	D123-T127 PolarHBondContact N-O 2.79Å; S125-T127 PolarHBondContact O-N 2.69Å; S125-T127 PolarHBondContact OG-OG1 3.09Å; T127-R129 PolarHBondContact O-N 2.69Å; T127-I162 HydrophobicContact CG2-CD1 3.96Å
128	V	98.4	Very high	97.9	Very high	20 Å²	20	41.2 Å²	41.2	12%	0.121	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-66.5	126.9	170.6	-178.2	0	0	0	0	109.7	N108 L109 M120 V122 A130	N108-V128 HydrophobicContact CB-CB 4.16Å; N108-V128 HydrophobicContact CB-CG2 3.68Å; N108-V128 WeakPolarHBondContact O-CG1 3.42Å; L109-V128 HydrophobicContact CD2-CG1 4.24Å; L109-V128 HydrophobicContact CD2-CG2 4.08Å; M120-V128 HydrophobicContact CE-CG1 3.54Å; V122-V128 HydrophobicContact CG2-CG2 4.2Å; V128-A130 VanDerWaalsContact C-N 3.25Å; V128-A130 PolarHBondContact O-N 2.96Å
129	R	98.2	Very high	97.9	Very high	23 Å²	23	47.1 Å²	47.1	9%	0.087	26%	0.26	C	S	.	.			trans	-81.4	65.6	-179	-68.2	-65.2	-57.8	-88.9	-1.2	111.7	F121 D123 T127 D131 I132 R160	F121-R129 HydrophobicContact CB-CB 4.13Å; F121-R129 HydrophobicContact CB-CG 4.48Å; F121-R129 WeakPolarHBondContact O-CB 3.35Å; F121-R129 PolarHBondContact O-N 2.89Å; D123-R129 HydrophobicContact CB-CG 4.24Å; T127-R129 PolarHBondContact O-N 2.69Å; R129-D131 WeakPolarHBondContact CA-OD1 3.17Å; R129-D131 IonicContact CZ-OD1 3.59Å; R129-D131 IonicContact CZ-OD2 3.63Å; R129-D131 IonicContact NE-OD1 3.86Å; R129-D131 PolarHBondContact NE-OD1 3.1Å; R129-D131 IonicContact NE-OD2 3.17Å; R129-D131 IonicContact NH2-OD1 3.53Å; R129-D131 IonicContact NH2-OD2 2.79Å; R129-D131 PolarHBondContact NH2-OD2 2.91Å; R129-D131 PolarHBondContact O-N 2.96Å; R129-D131 VanDerWaalsContact O-N 3.09Å; R129-I132 HydrophobicContact CB-CD1 3.78Å; R129-I132 HydrophobicContact CB-CG1 3.99Å; R129-I132 HydrophobicContact CG-CD1 4.2Å; R129-I132 PolarHBondContact O-N 3.5Å; R129-R160 PolarHBondContact NH1-O 3.5Å
130	A	97.4	Very high	97.8	Very high	51 Å²	51	49.8 Å²	49.8	42%	0.421	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.8	178.3	0	0	0	0	0	113.5	V128 I132 Y141	V128-A130 VanDerWaalsContact C-N 3.25Å; V128-A130 PolarHBondContact O-N 2.96Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.46Å; A130-Y141 PolarHBondContact O-OH 2.76Å; A130-Y141 VanDerWaalsContact O-OH 3.09Å
131	D	97.4	Very high	97.8	Very high	84 Å²	84	50.2 Å²	50.2	45%	0.449	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.3	173.9	70.7	-67	0	0	0	114.3	R129 K157	R129-D131 WeakPolarHBondContact CA-OD1 3.17Å; R129-D131 IonicContact CZ-OD1 3.59Å; R129-D131 IonicContact CZ-OD2 3.63Å; R129-D131 IonicContact NE-OD1 3.86Å; R129-D131 PolarHBondContact NE-OD1 3.1Å; R129-D131 IonicContact NE-OD2 3.17Å; R129-D131 IonicContact NH2-OD1 3.53Å; R129-D131 IonicContact NH2-OD2 2.79Å; R129-D131 PolarHBondContact NH2-OD2 2.91Å; R129-D131 PolarHBondContact O-N 2.96Å; R129-D131 VanDerWaalsContact O-N 3.09Å; D131-K157 PolarHBondContact O-NZ 2.77Å; D131-K157 VanDerWaalsContact OD2-CE 3.31Å; D131-K157 WeakPolarHBondContact OD2-CE 3.35Å; D131-K157 IonicContact OD2-NZ 3.29Å; D131-K157 PolarHBondContact OD2-NZ 2.82Å
132	I	98.4	Very high	97.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.278	C	S	.	.			trans	-102.9	90.4	178.6	-54.3	-177.9	0	0	0	108.5	F121 R129 A130 Y141 N154 K157 A158	F121-I132 HydrophobicContact CD2-CB 4.19Å; F121-I132 HydrophobicContact CD2-CD1 4.26Å; F121-I132 HydrophobicContact CD2-CG2 3.77Å; F121-I132 HydrophobicContact CE2-CG2 3.83Å; R129-I132 HydrophobicContact CB-CD1 3.78Å; R129-I132 HydrophobicContact CB-CG1 3.99Å; R129-I132 HydrophobicContact CG-CD1 4.2Å; R129-I132 PolarHBondContact O-N 3.5Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.46Å; I132-Y141 WeakPolarHBondContact O-CD1 3.21Å; I132-N154 HydrophobicContact CG2-CB 3.47Å; I132-N154 VanDerWaalsContact CG2-CB 3.47Å; I132-N154 VanDerWaalsContact CG2-CG 3.43Å; I132-K157 HydrophobicContact CD1-CB 4.4Å; I132-K157 HydrophobicContact CD1-CD 4.46Å; I132-K157 HydrophobicContact CD1-CG 4.17Å; I132-K157 HydrophobicContact CG1-CD 3.99Å; I132-K157 HydrophobicContact CG1-CG 4.24Å; I132-A158 HydrophobicContact CD1-CB 3.69Å
133	A	98.3	Very high	97.8	Very high	31 Å²	31	50.8 Å²	50.8	26%	0.256	28%	0.279	S	S	.	.			trans	-109.2	151.3	179.5	0	0	0	0	0	111.6	L140 N154	A133-L140 CarbonylContact C-O 3.59Å; A133-L140 WeakPolarHBondContact CA-O 3.33Å; A133-L140 HydrophobicContact CB-CB 4.1Å; A133-L140 HydrophobicContact CB-CD2 4.27Å; A133-L140 WeakPolarHBondContact CB-O 3.45Å; A133-N154 PolarHBondContact O-ND2 3.5Å
134	G	98.1	Very high	97.8	Very high	14 Å²	14	53.5 Å²	53.5	14%	0.144	29%	0.291	C	S	.	.			trans	-73.9	-162.1	162.7	0	0	0	0	0	112.1	L140	G134-L140 PolarHBondContact N-O 3.09Å
135	R	97.4	Very high	97.8	Very high	144 Å²	144	55 Å²	55	54%	0.543	30%	0.301	S	S	.	.	S	Bend	trans	-84.6	-19.2	-169.9	65.7	-179.9	-93.8	-178	-7.8	115.5	D147 L150	R135-D147 VanDerWaalsContact CD-CG 3.4Å; R135-D147 WeakPolarHBondContact CD-OD1 3.48Å; R135-D147 WeakPolarHBondContact CD-OD2 2.9Å; R135-D147 IonicContact CZ-OD1 3.44Å; R135-D147 IonicContact NE-OD1 2.96Å; R135-D147 IonicContact NH1-OD1 2.75Å; R135-D147 PolarHBondContact NH1-OD1 3.09Å; R135-L150 HydrophobicContact CB-CD2 4.12Å
136	Y	97.5	Very high	97.9	Very high	37 Å²	37	57 Å²	57	15%	0.145	30%	0.303	C	S	.	.			trans	-94.8	113	-167.6	-52	-78.9	0	0	0	110.5	N138 R139 L140 T142 E144 D147	Y136-N138 PolarHBondContact O-N 2.83Å; Y136-R139 CarbonylContact O-C 3.05Å; Y136-R139 PolarHBondContact O-N 3.27Å; Y136-R139 VanDerWaalsContact O-N 3.07Å; Y136-L140 WeakPolarHBondContact O-CA 3.39Å; Y136-L140 PolarHBondContact O-N 3.38Å; Y136-T142 HydrophobicContact CD2-CG2 3.46Å; Y136-T142 VanDerWaalsContact CD2-CG2 3.46Å; Y136-T142 HydrophobicContact CE2-CG2 3.98Å; Y136-T142 HydrophobicContact CG-CG2 4.26Å; Y136-E144 HydrophobicContact CE2-CG 4.26Å; Y136-E144 VanDerWaalsContact OH-CD 3.27Å; Y136-E144 WeakPolarHBondContact OH-CG 3.48Å; Y136-D147 VanDerWaalsContact CE2-OD2 3.23Å; Y136-D147 WeakPolarHBondContact CE2-OD2 3.45Å; Y136-D147 PolarHBondContact OH-OD2 2.94Å
137	S	95.6	Very high	97.9	Very high	112 Å²	112	53.8 Å²	53.8	78%	0.783	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.5	-177.4	56	0	0	0	0	114.3
138	N	96	Very high	98	Very high	117 Å²	117	51.4 Å²	51.4	63%	0.626	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.7	176.7	66.9	-34.4	0	0	0	113.7	Y136	Y136-N138 PolarHBondContact O-N 2.83Å
139	R	97.6	Very high	98	Very high	123 Å²	123	54.5 Å²	54.5	46%	0.464	29%	0.291	S	S	.	.	S	Bend	trans	-151.4	74	179.8	-65.2	-175.3	-176.4	163.6	0.3	108.6	D112 Y115 Y136 Y141 T142	D112-R139 WeakPolarHBondContact OD2-CA 3.47Å; Y115-R139 HydrophobicContact CD1-CB 4.4Å; Y115-R139 HydrophobicContact CD1-CG 4.01Å; Y115-R139 HydrophobicContact CD2-CB 4.33Å; Y115-R139 HydrophobicContact CD2-CG 4.4Å; Y115-R139 HydrophobicContact CE1-CB 3.97Å; Y115-R139 HydrophobicContact CE1-CG 4.01Å; Y115-R139 HydrophobicContact CE2-CB 3.91Å; Y115-R139 HydrophobicContact CE2-CG 4.42Å; Y115-R139 HydrophobicContact CG-CG 4.22Å; Y115-R139 WeakPolarHBondContact OH-CA 3.23Å; Y136-R139 CarbonylContact O-C 3.05Å; Y136-R139 PolarHBondContact O-N 3.27Å; Y136-R139 VanDerWaalsContact O-N 3.07Å; R139-Y141 PolarHBondContact O-N 3.16Å; R139-Y141 VanDerWaalsContact O-N 3.08Å; R139-T142 HydrophobicContact CB-CG2 3.64Å; R139-T142 PolarHBondContact O-N 3.47Å
140	L	98.3	Very high	98	Very high	57 Å²	57	55.9 Å²	55.9	30%	0.298	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.9	-166.9	-67.3	173.9	0	0	0	113.6	D112 Y115 A133 G134 Y136	D112-L140 HydrophobicContact CB-CD1 4.47Å; D112-L140 PolarHBondContact OD2-N 2.96Å; Y115-L140 PolarHBondContact OH-N 2.86Å; Y115-L140 VanDerWaalsContact OH-N 3.09Å; A133-L140 CarbonylContact C-O 3.59Å; A133-L140 WeakPolarHBondContact CA-O 3.33Å; A133-L140 HydrophobicContact CB-CB 4.1Å; A133-L140 HydrophobicContact CB-CD2 4.27Å; A133-L140 WeakPolarHBondContact CB-O 3.45Å; G134-L140 PolarHBondContact N-O 3.09Å; Y136-L140 WeakPolarHBondContact O-CA 3.39Å; Y136-L140 PolarHBondContact O-N 3.38Å
141	Y	98.7	Very high	98.1	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.039	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	15.5	-170.5	-46.5	-76.5	0	0	0	113	P111 D112 Y115 R118 I119 M120 A130 I132 R139	P111-Y141 HydrophobicContact CG-CE2 3.54Å; D112-Y141 VanDerWaalsContact OD1-CD2 3.3Å; D112-Y141 WeakPolarHBondContact OD1-CD2 3.44Å; D112-Y141 WeakPolarHBondContact OD1-CE2 3.38Å; Y115-Y141 PolarHBondContact OH-N 2.87Å; R118-Y141 CarbonylContact C-O 3.53Å; R118-Y141 WeakPolarHBondContact CA-O 3.37Å; I119-Y141 PolarHBondContact N-O 3.17Å; M120-Y141 HydrophobicContact CE-CD1 4.04Å; M120-Y141 HydrophobicContact CE-CD2 4.19Å; M120-Y141 HydrophobicContact CE-CE1 3.91Å; M120-Y141 HydrophobicContact CE-CE2 4.09Å; M120-Y141 HydrophobicContact CE-CG 4.18Å; M120-Y141 VanDerWaalsContact SD-CB 3.55Å; M120-Y141 HydrophobicContact SD-CD1 3.37Å; M120-Y141 WeakPolarHBondContact SD-CD1 3.49Å; M120-Y141 HydrophobicContact SD-CD2 3.51Å; M120-Y141 VanDerWaalsContact SD-CD2 3.51Å; M120-Y141 HydrophobicContact SD-CE1 3.88Å; M120-Y141 HydrophobicContact SD-CE2 4.03Å; M120-Y141 HydrophobicContact SD-CG 3.15Å; A130-Y141 PolarHBondContact O-OH 2.76Å; A130-Y141 VanDerWaalsContact O-OH 3.09Å; I132-Y141 WeakPolarHBondContact O-CD1 3.21Å; R139-Y141 PolarHBondContact O-N 3.16Å; R139-Y141 VanDerWaalsContact O-N 3.08Å
142	T	98.6	Very high	98.1	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.262	C	S	.	.			trans	-93.5	153.2	171.1	-153.6	0	0	0	0	111.7	P117 Y136 R139	P117-T142 WeakPolarHBondContact O-CA 3.36Å; P117-T142 VanDerWaalsContact O-CB 3.3Å; P117-T142 WeakPolarHBondContact O-CB 3.48Å; P117-T142 PolarHBondContact O-OG1 3.3Å; Y136-T142 HydrophobicContact CD2-CG2 3.46Å; Y136-T142 VanDerWaalsContact CD2-CG2 3.46Å; Y136-T142 HydrophobicContact CE2-CG2 3.98Å; Y136-T142 HydrophobicContact CG-CG2 4.26Å; R139-T142 HydrophobicContact CB-CG2 3.64Å; R139-T142 PolarHBondContact O-N 3.47Å
143	Y	98.8	Very high	98.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	29%	0.289	C	S	.	.			trans	-138.1	138.6	178.5	-60.6	-97	0	0	0	108.4	L77 I119 D147 L150 L151 N154	L77-Y143 WeakPolarHBondContact CD2-O 3.3Å; I119-Y143 HydrophobicContact CB-CD2 4.18Å; I119-Y143 HydrophobicContact CB-CE2 3.97Å; I119-Y143 HydrophobicContact CD1-CD2 4.16Å; I119-Y143 HydrophobicContact CG1-CD2 4.33Å; Y143-D147 HydrophobicContact CD1-CB 4.24Å; Y143-L150 HydrophobicContact CE1-CG 4.43Å; Y143-L151 HydrophobicContact CD1-CB 3.81Å; Y143-L151 HydrophobicContact CD1-CD1 4.23Å; Y143-L151 HydrophobicContact CD2-CD1 4.18Å; Y143-L151 HydrophobicContact CE1-CB 3.99Å; Y143-L151 HydrophobicContact CE1-CD1 3.99Å; Y143-L151 HydrophobicContact CE2-CD1 3.97Å; Y143-L151 HydrophobicContact CG-CB 4.38Å; Y143-L151 HydrophobicContact CG-CD1 4.32Å; Y143-N154 PolarHBondContact OH-ND2 3.17Å
144	E	98.4	Very high	98.2	Very high	62 Å²	62	55 Å²	55	29%	0.29	28%	0.28	S	S	.	.			trans	-101	166.8	168.3	-65.5	-174.4	-165.3	0	0	109.7	Y136 Q146 D147	Y136-E144 HydrophobicContact CE2-CG 4.26Å; Y136-E144 VanDerWaalsContact OH-CD 3.27Å; Y136-E144 WeakPolarHBondContact OH-CG 3.48Å; E144-Q146 PolarHBondContact O-N 2.88Å; E144-Q146 VanDerWaalsContact O-N 3.13Å; E144-Q146 PolarHBondContact OE2-NE2 2.77Å; E144-D147 WeakPolarHBondContact CB-OD2 3.42Å; E144-D147 PolarHBondContact N-OD2 2.77Å; E144-D147 WeakPolarHBondContact O-CA 3.41Å; E144-D147 WeakPolarHBondContact O-CB 3.41Å; E144-D147 PolarHBondContact O-N 2.71Å
145	P	98.6	Very high	98.2	Very high	46 Å²	46	54.4 Å²	54.4	30%	0.299	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.6	-35.8	-178.3	-30	37.1	0	0	0	114.7	A76 V80 D147 L148	A76-P145 HydrophobicContact CB-CG 3.78Å; V80-P145 HydrophobicContact CG1-CB 4.12Å; V80-P145 HydrophobicContact CG2-CB 3.97Å; V80-P145 HydrophobicContact CG2-CG 4.49Å; P145-D147 PolarHBondContact O-N 3.21Å; P145-L148 WeakPolarHBondContact O-CB 3.37Å; P145-L148 PolarHBondContact O-N 2.74Å
146	Q	98.4	Very high	98.3	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-69.2	-16.5	176.4	64.9	-87.4	14.4	0	0	114.1	E144 L148	E144-Q146 PolarHBondContact O-N 2.88Å; E144-Q146 VanDerWaalsContact O-N 3.13Å; E144-Q146 PolarHBondContact OE2-NE2 2.77Å; Q146-L148 VanDerWaalsContact C-N 3.3Å
147	D	98.5	Very high	98.3	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.053	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-91.7	6.3	-178.9	-50.9	-42.7	0	0	0	112	R135 Y136 Y143 E144 P145 P149 L150 L151	R135-D147 VanDerWaalsContact CD-CG 3.4Å; R135-D147 WeakPolarHBondContact CD-OD1 3.48Å; R135-D147 WeakPolarHBondContact CD-OD2 2.9Å; R135-D147 IonicContact CZ-OD1 3.44Å; R135-D147 IonicContact NE-OD1 2.96Å; R135-D147 IonicContact NH1-OD1 2.75Å; R135-D147 PolarHBondContact NH1-OD1 3.09Å; Y136-D147 VanDerWaalsContact CE2-OD2 3.23Å; Y136-D147 WeakPolarHBondContact CE2-OD2 3.45Å; Y136-D147 PolarHBondContact OH-OD2 2.94Å; Y143-D147 HydrophobicContact CD1-CB 4.24Å; E144-D147 WeakPolarHBondContact CB-OD2 3.42Å; E144-D147 PolarHBondContact N-OD2 2.77Å; E144-D147 WeakPolarHBondContact O-CA 3.41Å; E144-D147 WeakPolarHBondContact O-CB 3.41Å; E144-D147 PolarHBondContact O-N 2.71Å; P145-D147 PolarHBondContact O-N 3.21Å; D147-P149 VanDerWaalsContact C-CD 3.43Å; D147-P149 VanDerWaalsContact C-N 3.33Å; D147-L150 WeakPolarHBondContact O-CA 3.25Å; D147-L150 WeakPolarHBondContact O-CB 3.46Å; D147-L150 PolarHBondContact O-N 3.22Å; D147-L151 PolarHBondContact O-N 2.67Å
148	L	98.4	Very high	98.5	Very high	20 Å²	20	48.3 Å²	48.3	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-54.3	-40.1	179.3	-155.9	69.3	0	0	0	113.7	L77 V80 N84 I87 P145 Q146 L150 L151 I152	L77-L148 HydrophobicContact CD1-CD1 4.43Å; V80-L148 HydrophobicContact CB-CD2 4.09Å; V80-L148 HydrophobicContact CG2-CD1 3.95Å; V80-L148 HydrophobicContact CG2-CD2 4.2Å; N84-L148 HydrophobicContact CB-CD2 4Å; I87-L148 HydrophobicContact CD1-CD1 3.38Å; I87-L148 HydrophobicContact CD1-CD2 4.3Å; I87-L148 HydrophobicContact CD1-CG 3.72Å; P145-L148 WeakPolarHBondContact O-CB 3.37Å; P145-L148 PolarHBondContact O-N 2.74Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.43Å; L148-L151 HydrophobicContact CD1-CD2 4.22Å; L148-L151 WeakPolarHBondContact O-CB 3.34Å; L148-L151 PolarHBondContact O-N 3.08Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 3.32Å
149	P	98.8	Very high	98.6	Very high	84 Å²	84	45.6 Å²	45.6	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-40.9	173.7	-24.4	36	0	0	0	112.8	D147 I152 E153	D147-P149 VanDerWaalsContact C-CD 3.43Å; D147-P149 VanDerWaalsContact C-N 3.33Å; P149-I152 WeakPolarHBondContact O-CB 3.45Å; P149-I152 PolarHBondContact O-N 3.07Å; P149-E153 PolarHBondContact O-N 3.21Å
150	L	98.8	Very high	98.5	Very high	52 Å²	52	48.8 Å²	48.8	27%	0.272	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-38.2	175.9	177.1	61.8	0	0	0	111.4	R135 Y143 D147 L148 I152 E153 N154	R135-L150 HydrophobicContact CB-CD2 4.12Å; Y143-L150 HydrophobicContact CE1-CG 4.43Å; D147-L150 WeakPolarHBondContact O-CA 3.25Å; D147-L150 WeakPolarHBondContact O-CB 3.46Å; D147-L150 PolarHBondContact O-N 3.22Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.43Å; L150-I152 VanDerWaalsContact C-N 3.31Å; L150-I152 PolarHBondContact O-N 3.22Å; L150-E153 PolarHBondContact O-N 2.85Å; L150-N154 WeakPolarHBondContact O-CB 3.28Å; L150-N154 PolarHBondContact O-N 2.96Å
151	L	98.9	Very high	98.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-43.1	173.7	179.6	59.6	0	0	0	111.1	M63 F81 I87 I119 F121 Y143 D147 L148 N154 M155	M63-L151 HydrophobicContact CE-CD1 4.16Å; F81-L151 HydrophobicContact CD2-CD2 3.95Å; F81-L151 HydrophobicContact CE2-CD2 4.23Å; I87-L151 HydrophobicContact CD1-CD2 4.27Å; I119-L151 HydrophobicContact CD1-CD1 3.93Å; I119-L151 HydrophobicContact CD1-CD2 3.8Å; I119-L151 HydrophobicContact CG2-CD1 4.21Å; F121-L151 HydrophobicContact CZ-CD1 4.39Å; Y143-L151 HydrophobicContact CD1-CB 3.81Å; Y143-L151 HydrophobicContact CD1-CD1 4.23Å; Y143-L151 HydrophobicContact CD2-CD1 4.18Å; Y143-L151 HydrophobicContact CE1-CB 3.99Å; Y143-L151 HydrophobicContact CE1-CD1 3.99Å; Y143-L151 HydrophobicContact CE2-CD1 3.97Å; Y143-L151 HydrophobicContact CG-CB 4.38Å; Y143-L151 HydrophobicContact CG-CD1 4.32Å; D147-L151 PolarHBondContact O-N 2.67Å; L148-L151 HydrophobicContact CD1-CD2 4.22Å; L148-L151 WeakPolarHBondContact O-CB 3.34Å; L148-L151 PolarHBondContact O-N 3.08Å; L151-N154 PolarHBondContact O-N 2.99Å; L151-M155 HydrophobicContact CD1-CG 4.46Å; L151-M155 HydrophobicContact CG-SD 4.36Å; L151-M155 VanDerWaalsContact O-CG 3.31Å; L151-M155 WeakPolarHBondContact O-CG 3.35Å; L151-M155 PolarHBondContact O-N 3.27Å
152	I	98.9	Very high	97.9	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-45.4	175.5	-69.9	164.5	0	0	0	110.9	E86 I87 M90 L148 P149 L150 N154 M155 K156	E86-I152 HydrophobicContact CG-CG2 4.46Å; I87-I152 HydrophobicContact CD1-CD1 4.39Å; I87-I152 HydrophobicContact CD1-CG1 3.93Å; I87-I152 HydrophobicContact CG1-CD1 4.21Å; I87-I152 HydrophobicContact CG1-CG1 3.61Å; M90-I152 HydrophobicContact CE-CG2 4.13Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 3.32Å; P149-I152 WeakPolarHBondContact O-CB 3.45Å; P149-I152 PolarHBondContact O-N 3.07Å; L150-I152 VanDerWaalsContact C-N 3.31Å; L150-I152 PolarHBondContact O-N 3.22Å; I152-N154 VanDerWaalsContact C-N 3.31Å; I152-N154 PolarHBondContact O-N 3.1Å; I152-M155 PolarHBondContact O-N 2.98Å; I152-K156 HydrophobicContact CG2-CD 4.2Å; I152-K156 WeakPolarHBondContact O-CG 3.48Å; I152-K156 PolarHBondContact O-N 3.17Å
153	E	98.8	Very high	97	Very high	123 Å²	123	60.8 Å²	60.8	58%	0.575	29%	0.293	S	S	*	.	H	α-helix	trans	-60.3	-41.7	175.3	-71.6	-179.3	179.8	0	0	112.1	P149 L150 K156 K157	P149-E153 PolarHBondContact O-N 3.21Å; L150-E153 PolarHBondContact O-N 2.85Å; E153-K156 WeakPolarHBondContact O-CB 3.46Å; E153-K156 PolarHBondContact O-N 3.39Å; E153-K157 WeakPolarHBondContact O-CB 3.43Å; E153-K157 PolarHBondContact O-N 2.75Å
154	N	98.9	Very high	95.1	Very high	13 Å²	13	65 Å²	65	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-37.2	178	-82.9	-16.2	0	0	0	112.7	F121 I132 A133 Y143 L150 L151 I152 K157 A158	F121-N154 HydrophobicContact CE2-CB 4.26Å; I132-N154 HydrophobicContact CG2-CB 3.47Å; I132-N154 VanDerWaalsContact CG2-CB 3.47Å; I132-N154 VanDerWaalsContact CG2-CG 3.43Å; A133-N154 PolarHBondContact O-ND2 3.5Å; Y143-N154 PolarHBondContact OH-ND2 3.17Å; L150-N154 WeakPolarHBondContact O-CB 3.28Å; L150-N154 PolarHBondContact O-N 2.96Å; L151-N154 PolarHBondContact O-N 2.99Å; I152-N154 VanDerWaalsContact C-N 3.31Å; I152-N154 PolarHBondContact O-N 3.1Å; N154-K157 WeakPolarHBondContact O-CB 3.45Å; N154-K157 PolarHBondContact O-N 2.97Å; N154-A158 PolarHBondContact O-N 2.96Å
155	M	98.9	Very high	93.1	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-47.8	169.3	-70.4	173.8	75	0	0	110.3	M63 I87 M90 F95 F121 L151 I152 K157 A158 L159	M63-M155 HydrophobicContact CE-CE 4.37Å; M63-M155 HydrophobicContact CE-CG 4.08Å; M63-M155 HydrophobicContact CE-SD 4.03Å; M63-M155 HydrophobicContact SD-CE 3.98Å; M63-M155 HydrophobicContact SD-CG 4.39Å; M63-M155 HydrophobicContact SD-SD 4.39Å; I87-M155 HydrophobicContact CB-SD 4.49Å; I87-M155 HydrophobicContact CG1-SD 3.99Å; I87-M155 HydrophobicContact CG2-CE 4.26Å; I87-M155 HydrophobicContact CG2-SD 4.24Å; M90-M155 HydrophobicContact CB-CE 3.69Å; M90-M155 HydrophobicContact CE-CB 3.75Å; M90-M155 HydrophobicContact CE-CE 3.82Å; M90-M155 HydrophobicContact CE-CG 4.43Å; M90-M155 HydrophobicContact CE-SD 3.85Å; M90-M155 HydrophobicContact SD-CB 4.05Å; M90-M155 HydrophobicContact SD-CE 4.47Å; F95-M155 HydrophobicContact CD2-CE 4.24Å; F95-M155 HydrophobicContact CE2-CB 4.16Å; F95-M155 HydrophobicContact CE2-CE 4.05Å; F95-M155 HydrophobicContact CZ-CB 4.14Å; F95-M155 WeakPolarHBondContact CZ-O 3.42Å; F121-M155 HydrophobicContact CE1-CG 3.92Å; F121-M155 HydrophobicContact CZ-CG 3.78Å; L151-M155 HydrophobicContact CD1-CG 4.46Å; L151-M155 HydrophobicContact CG-SD 4.36Å; L151-M155 VanDerWaalsContact O-CG 3.31Å; L151-M155 WeakPolarHBondContact O-CG 3.35Å; L151-M155 PolarHBondContact O-N 3.27Å; I152-M155 PolarHBondContact O-N 2.98Å; M155-K157 VanDerWaalsContact C-N 3.27Å; M155-K157 PolarHBondContact O-N 3.25Å; M155-A158 WeakPolarHBondContact O-CB 3.38Å; M155-A158 PolarHBondContact O-N 3.49Å; M155-A158 VanDerWaalsContact O-N 3.1Å; M155-L159 WeakPolarHBondContact O-CG 3.47Å; M155-L159 PolarHBondContact O-N 3.17Å; M155-L159 VanDerWaalsContact O-N 3.09Å
156	K	98.8	Very high	90.5	Very high	89 Å²	89	80.3 Å²	80.3	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-36.5	175.5	-70.1	168.8	-179.1	169.6	0	112.4	E86 M90 I152 E153 L159	E86-K156 WeakPolarHBondContact OE1-CE 3.3Å; E86-K156 IonicContact OE1-NZ 2.64Å; E86-K156 PolarHBondContact OE1-NZ 2.71Å; M90-K156 HydrophobicContact SD-CG 4.12Å; I152-K156 HydrophobicContact CG2-CD 4.2Å; I152-K156 WeakPolarHBondContact O-CG 3.48Å; I152-K156 PolarHBondContact O-N 3.17Å; E153-K156 WeakPolarHBondContact O-CB 3.46Å; E153-K156 PolarHBondContact O-N 3.39Å; K156-L159 PolarHBondContact O-N 2.82Å
157	K	98.5	Very high	90.1	Very high	76 Å²	76	79.1 Å²	79.1	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-39.7	174.5	-174.1	179.2	172.7	-167.5	0	111.7	D131 I132 E153 N154 M155 L159 R160	D131-K157 PolarHBondContact O-NZ 2.77Å; D131-K157 VanDerWaalsContact OD2-CE 3.31Å; D131-K157 WeakPolarHBondContact OD2-CE 3.35Å; D131-K157 IonicContact OD2-NZ 3.29Å; D131-K157 PolarHBondContact OD2-NZ 2.82Å; I132-K157 HydrophobicContact CD1-CB 4.4Å; I132-K157 HydrophobicContact CD1-CD 4.46Å; I132-K157 HydrophobicContact CD1-CG 4.17Å; I132-K157 HydrophobicContact CG1-CD 3.99Å; I132-K157 HydrophobicContact CG1-CG 4.24Å; E153-K157 WeakPolarHBondContact O-CB 3.43Å; E153-K157 PolarHBondContact O-N 2.75Å; N154-K157 WeakPolarHBondContact O-CB 3.45Å; N154-K157 PolarHBondContact O-N 2.97Å; M155-K157 VanDerWaalsContact C-N 3.27Å; M155-K157 PolarHBondContact O-N 3.25Å; K157-L159 VanDerWaalsContact C-N 3.28Å; K157-L159 PolarHBondContact O-N 2.73Å; K157-R160 WeakPolarHBondContact O-CB 3.42Å; K157-R160 PolarHBondContact O-N 3.37Å
158	A	98.5	Very high	89.7	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.008	41%	0.409	C	S	.	.	H	α-helix	trans	-65.7	-31	177.2	0	0	0	0	0	112.6	P61 F95 F121 I132 N154 M155 R160	P61-A158 VanDerWaalsContact CG-O 3.27Å; P61-A158 WeakPolarHBondContact CG-O 3.41Å; F95-A158 HydrophobicContact CE1-CB 3.96Å; F95-A158 HydrophobicContact CZ-CB 4.06Å; F121-A158 HydrophobicContact CB-CB 3.9Å; F121-A158 HydrophobicContact CD1-CB 3.6Å; F121-A158 HydrophobicContact CD2-CB 4.2Å; F121-A158 HydrophobicContact CE1-CB 4.13Å; F121-A158 HydrophobicContact CG-CB 3.63Å; I132-A158 HydrophobicContact CD1-CB 3.69Å; N154-A158 PolarHBondContact O-N 2.96Å; M155-A158 WeakPolarHBondContact O-CB 3.38Å; M155-A158 PolarHBondContact O-N 3.49Å; M155-A158 VanDerWaalsContact O-N 3.1Å; A158-R160 PolarHBondContact O-N 3.46Å
159	L	98.1	Very high	89.2	Confident	60 Å²	60	86.2 Å²	86.2	31%	0.314	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.2	172.5	-64.8	176.9	0	0	0	113.5	P61 M90 K94 F95 M155 K156 K157 L161	P61-L159 HydrophobicContact CG-CD2 4.23Å; M90-L159 HydrophobicContact SD-CD1 4.21Å; K94-L159 HydrophobicContact CB-CD1 4.1Å; K94-L159 HydrophobicContact CB-CD2 3.68Å; K94-L159 HydrophobicContact CG-CD1 4.38Å; F95-L159 HydrophobicContact CD2-CD2 4.2Å; F95-L159 HydrophobicContact CE1-CD2 4.25Å; F95-L159 HydrophobicContact CE2-CD1 4.18Å; F95-L159 HydrophobicContact CE2-CD2 3.62Å; F95-L159 HydrophobicContact CE2-CG 3.82Å; F95-L159 HydrophobicContact CZ-CD2 3.64Å; F95-L159 HydrophobicContact CZ-CG 3.75Å; M155-L159 WeakPolarHBondContact O-CG 3.47Å; M155-L159 PolarHBondContact O-N 3.17Å; M155-L159 VanDerWaalsContact O-N 3.09Å; K156-L159 PolarHBondContact O-N 2.82Å; K157-L159 VanDerWaalsContact C-N 3.28Å; K157-L159 PolarHBondContact O-N 2.73Å; L159-L161 PolarHBondContact O-N 3.48Å
160	R	97.1	Very high	88.6	Confident	190 Å²	190	86.3 Å²	86.3	72%	0.717	42%	0.419	S	S	*	.	S	Bend	trans	-82.5	92.4	168.5	-57.5	179.9	-170.9	167.2	3	108	R129 K157 A158	R129-R160 PolarHBondContact NH1-O 3.5Å; K157-R160 WeakPolarHBondContact O-CB 3.42Å; K157-R160 PolarHBondContact O-N 3.37Å; A158-R160 PolarHBondContact O-N 3.46Å
161	L	93.4	Very high	88	Confident	74 Å²	74	88.4 Å²	88.4	39%	0.387	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-60.2	149.7	-176.5	-52.9	-172	0	0	0	111.5	P61 D123 P124 L159 Q163	P61-L161 HydrophobicContact CG-CD2 3.7Å; D123-L161 WeakPolarHBondContact OD2-CA 3.48Å; P124-L161 HydrophobicContact CG-CD1 4.24Å; P124-L161 HydrophobicContact CG-CD2 3.95Å; L159-L161 PolarHBondContact O-N 3.48Å; L161-Q163 PolarHBondContact O-N 3.33Å
162	I	89.9	Confident	87.2	Confident	76 Å²	76	94.3 Å²	94.3	39%	0.39	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.1	127.4	172.1	-62.6	172.6	0	0	0	108.1	D123 T127 S164	D123-I162 HydrophobicContact CB-CD1 3.89Å; D123-I162 HydrophobicContact CB-CG1 4.26Å; D123-I162 PolarHBondContact OD2-N 3.48Å; T127-I162 HydrophobicContact CG2-CD1 3.96Å; I162-S164 PolarHBondContact O-N 3.43Å
163	Q	79.1	Confident	86.4	Confident	180 Å²	180	100.1 Å²	100.1	84%	0.841	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-67.9	122.8	171.5	-69.1	-178.6	-2.3	0	0	107.9	L161 E165	L161-Q163 PolarHBondContact O-N 3.33Å; Q163-E165 PolarHBondContact O-N 3.38Å
164	S	60.2	Low	85.5	Confident	91 Å²	91	98.3 Å²	98.3	64%	0.636	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-64.5	119.5	166	56.7	0	0	0	0	107.3	I162 L166	I162-S164 PolarHBondContact O-N 3.43Å; S164-L166 PolarHBondContact O-N 3.11Å
165	E	56.5	Low	84.3	Confident	197 Å²	197	105.4 Å²	105.4	92%	0.921	51%	0.512	S	S	*	.			trans	-57.9	112.4	161.8	-64.1	-167.6	166	0	0	106.6	Q163	Q163-E165 PolarHBondContact O-N 3.38Å
166	L	43.2	Very low	83	Confident	231 Å²	231	115 Å²	115	100%	1.209	56%	0.558	S	S	*	*			trans	-86.3	0	173.3	-78.6	169	0	0	0	109.3	S164	S164-L166 PolarHBondContact O-N 3.11Å

Retrieved 166 of 166 residues in 103.1 ms (Link to these results)

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