A0A087Y4T6_POEFO Loading...

Ring finger and SPRY domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y4T6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	31	Very low	206 Å²	206	77.8 Å²	77.8	100%	1.015	44%	0.444	S	S	*	.				0	-55.6	0	-67.7	-82.7	-92	0	0	111	V3 A4	M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 3.32Å; M1-A4 PolarHBondContact O-N 3.48Å
2	I	27.9	Very low	31.3	Very low	113 Å²	113	76.3 Å²	76.3	58%	0.579	44%	0.44	S	S	*	.	H	α-helix	trans	-62.3	-34.1	173.2	-63.9	169.5	0	0	0	112.8	A4 W6	I2-A4 PolarHBondContact O-N 3.13Å; I2-W6 PolarHBondContact O-N 2.78Å
3	V	26.7	Very low	31.4	Very low	37 Å²	37	83.9 Å²	83.9	22%	0.224	46%	0.457	C	S	.	.	H	α-helix	trans	-64	-36.7	-178.6	-175.8	0	0	0	0	113.2	M1 W6 I7 L541 L567	M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 3.32Å; V3-W6 PolarHBondContact O-N 3.47Å; V3-I7 HydrophobicContact CG1-CD1 3.89Å; V3-I7 HydrophobicContact CG1-CG1 4.43Å; V3-I7 VanDerWaalsContact O-CD1 3.32Å; V3-I7 WeakPolarHBondContact O-CD1 3.12Å; V3-I7 WeakPolarHBondContact O-CG1 3.21Å; V3-I7 PolarHBondContact O-N 3.01Å; V3-I7 VanDerWaalsContact O-N 3.1Å; V3-L541 HydrophobicContact CG1-CD1 3.95Å; V3-L541 HydrophobicContact CG1-CD2 3.41Å; V3-L541 VanDerWaalsContact CG1-CD2 3.41Å; V3-L541 HydrophobicContact CG1-CG 4.23Å; V3-L567 HydrophobicContact CG2-CD2 3.61Å
4	A	27.2	Very low	31.7	Very low	61 Å²	61	79.9 Å²	79.9	50%	0.504	44%	0.438	S	S	.	.	H	α-helix	trans	-73.2	-37.2	-176.9	0	0	0	0	0	112.6	M1 I2 W6 T8	M1-A4 PolarHBondContact O-N 3.48Å; I2-A4 PolarHBondContact O-N 3.13Å; A4-W6 VanDerWaalsContact C-N 3.3Å; A4-W6 PolarHBondContact O-N 2.94Å; A4-T8 PolarHBondContact O-OG1 2.88Å
5	A	29.9	Very low	31.9	Very low	72 Å²	72	82.1 Å²	82.1	60%	0.595	45%	0.449	S	S	*	.	H	α-helix	trans	-69.2	-29.3	175.2	0	0	0	0	0	112.4	F9	A5-F9 PolarHBondContact O-N 2.89Å
6	W	33.5	Very low	32	Very low	54 Å²	54	79 Å²	79	21%	0.205	44%	0.437	C	S	.	.	H	α-helix	trans	-80.5	-36.7	-179.4	-132.8	79.2	0	0	0	113.5	I2 V3 A4 T8 F9 C10 D562 C563 Q566	I2-W6 PolarHBondContact O-N 2.78Å; V3-W6 PolarHBondContact O-N 3.47Å; A4-W6 VanDerWaalsContact C-N 3.3Å; A4-W6 PolarHBondContact O-N 2.94Å; W6-T8 PolarHBondContact O-N 3.15Å; W6-F9 PolarHBondContact O-N 2.87Å; W6-C10 WeakPolarHBondContact CZ3-SG 3.26Å; W6-C10 PolarHBondContact O-N 3.02Å; W6-D562 HydrophobicContact CH2-CB 3.82Å; W6-C563 HydrophobicContact CE3-CB 4.44Å; W6-C563 VanDerWaalsContact CE3-SG 3.58Å; W6-C563 HydrophobicContact CZ3-CB 4.08Å; W6-C563 WeakPolarHBondContact CZ3-SG 3.34Å; W6-Q566 HydrophobicContact CD2-CG 4.22Å; W6-Q566 HydrophobicContact CH2-CG 4.39Å; W6-Q566 HydrophobicContact CZ2-CG 3.64Å
7	I	33.2	Very low	32.1	Very low	69 Å²	69	82.3 Å²	82.3	35%	0.354	45%	0.449	S	S	.	.	H	α-helix	trans	-54.9	-43.2	171.4	-67.4	159	0	0	0	109.8	V3 A11 L541	V3-I7 HydrophobicContact CG1-CD1 3.89Å; V3-I7 HydrophobicContact CG1-CG1 4.43Å; V3-I7 VanDerWaalsContact O-CD1 3.32Å; V3-I7 WeakPolarHBondContact O-CD1 3.12Å; V3-I7 WeakPolarHBondContact O-CG1 3.21Å; V3-I7 PolarHBondContact O-N 3.01Å; V3-I7 VanDerWaalsContact O-N 3.1Å; I7-A11 WeakPolarHBondContact O-CB 3.24Å; I7-A11 PolarHBondContact O-N 3.41Å; I7-A11 VanDerWaalsContact O-N 3.12Å; I7-L541 WeakPolarHBondContact CG1-O 3.4Å
8	T	31.2	Very low	32.4	Very low	72 Å²	72	83.9 Å²	83.9	44%	0.442	46%	0.456	S	S	.	.	H	α-helix	trans	-68.5	-38.1	178.9	-43.4	0	0	0	0	112.7	A4 W6 C12	A4-T8 PolarHBondContact O-OG1 2.88Å; W6-T8 PolarHBondContact O-N 3.15Å; T8-C12 PolarHBondContact O-N 3.28Å; T8-C12 PolarHBondContact O-SG 2.82Å
9	F	33.3	Very low	32.6	Very low	113 Å²	113	83.2 Å²	83.2	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-39.9	177.8	-178.9	-102	0	0	0	112.7	A5 W6	A5-F9 PolarHBondContact O-N 2.89Å; W6-F9 PolarHBondContact O-N 2.87Å
10	C	31.5	Very low	32.7	Very low	13 Å²	13	85.8 Å²	85.8	9%	0.088	46%	0.464	C	S	.	.	H	α-helix	trans	-74	-40	179	-74.6	0	0	0	0	113.6	W6 C12 R13 S14 C542	W6-C10 WeakPolarHBondContact CZ3-SG 3.26Å; W6-C10 PolarHBondContact O-N 3.02Å; C10-C12 PolarHBondContact O-N 3.25Å; C10-R13 PolarHBondContact O-N 2.68Å; C10-S14 PolarHBondContact O-N 2.91Å; C10-S14 PolarHBondContact O-OG 2.77Å; C10-C542 HydrophobicContact CB-CB 3.34Å; C10-C542 WeakPolarHBondContact SG-CB 3.37Å
11	A	33.9	Very low	32.7	Very low	46 Å²	46	88.8 Å²	88.8	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-32.5	175.9	0	0	0	0	0	112.3	I7 L15	I7-A11 WeakPolarHBondContact O-CB 3.24Å; I7-A11 PolarHBondContact O-N 3.41Å; I7-A11 VanDerWaalsContact O-N 3.12Å; A11-L15 PolarHBondContact O-N 3.3Å
12	C	35.1	Very low	32.7	Very low	59 Å²	59	85.2 Å²	85.2	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-72.7	-29.4	177.8	-66.8	0	0	0	0	113.7	T8 C10 A16	T8-C12 PolarHBondContact O-N 3.28Å; T8-C12 PolarHBondContact O-SG 2.82Å; C10-C12 PolarHBondContact O-N 3.25Å; C12-A16 PolarHBondContact O-N 2.84Å
13	R	32.6	Very low	32.8	Very low	176 Å²	176	84.8 Å²	84.8	66%	0.664	47%	0.471	S	S	*	.	H	α-helix	trans	-75.4	-40	178.4	-102.9	-173.9	161.8	-160.9	-3	112.4	C10 L15 A16 Q17	C10-R13 PolarHBondContact O-N 2.68Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-A16 PolarHBondContact O-N 2.9Å; R13-Q17 PolarHBondContact O-N 2.78Å
14	S	35.1	Very low	33.1	Very low	27 Å²	27	89.1 Å²	89.1	19%	0.189	50%	0.5	C	S	.	.	H	α-helix	trans	-64.1	-39.7	175.5	-46.7	0	0	0	0	112.2	C10 A16 Q17 L18 D544	C10-S14 PolarHBondContact O-N 2.91Å; C10-S14 PolarHBondContact O-OG 2.77Å; S14-A16 VanDerWaalsContact C-N 3.29Å; S14-A16 PolarHBondContact O-N 2.89Å; S14-Q17 PolarHBondContact O-N 2.92Å; S14-L18 WeakPolarHBondContact O-CB 3.44Å; S14-L18 PolarHBondContact O-N 3.34Å; S14-D544 WeakPolarHBondContact CB-OD1 3.23Å; S14-D544 VanDerWaalsContact OG-CB 3.24Å; S14-D544 WeakPolarHBondContact OG-CB 3.49Å; S14-D544 PolarHBondContact OG-OD1 3.17Å; S14-D544 PolarHBondContact OG-OD2 2.78Å
15	L	35.3	Very low	33.2	Very low	114 Å²	114	91.9 Å²	91.9	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-59.8	-38.2	175.5	-99.8	152	0	0	0	112.2	A11 R13 L19	A11-L15 PolarHBondContact O-N 3.3Å; R13-L15 VanDerWaalsContact C-N 3.35Å; L15-L19 WeakPolarHBondContact O-CD1 3.3Å
16	A	33.8	Very low	33.2	Very low	32 Å²	32	92.7 Å²	92.7	26%	0.264	52%	0.521	S	S	.	.	H	α-helix	trans	-73.3	-29.8	179.7	0	0	0	0	0	113.8	C12 R13 S14	C12-A16 PolarHBondContact O-N 2.84Å; R13-A16 PolarHBondContact O-N 2.9Å; S14-A16 VanDerWaalsContact C-N 3.29Å; S14-A16 PolarHBondContact O-N 2.89Å
17	Q	33.9	Very low	32.9	Very low	135 Å²	135	95.8 Å²	95.8	63%	0.631	55%	0.552	S	S	*	*	H	α-helix	trans	-84	-32.9	176.4	-90.7	177.9	-25.1	0	0	113.1	R13 S14 L19 L20	R13-Q17 PolarHBondContact O-N 2.78Å; S14-Q17 PolarHBondContact O-N 2.92Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.82Å; Q17-L20 PolarHBondContact O-N 2.88Å
18	L	36.6	Very low	33	Very low	112 Å²	112	98.7 Å²	98.7	59%	0.586	58%	0.575	S	S	*	*	H	α-helix	trans	-68.2	-32.2	-179.9	-137.3	89	0	0	0	112.8	S14 L20 L21	S14-L18 WeakPolarHBondContact O-CB 3.44Å; S14-L18 PolarHBondContact O-N 3.34Å; L18-L20 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 2.87Å
19	L	36.4	Very low	32.6	Very low	70 Å²	70	100.1 Å²	100.1	37%	0.366	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	-15.3	177.9	-74.7	165.3	0	0	0	113.9	L15 Q17 T515	L15-L19 WeakPolarHBondContact O-CD1 3.3Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.82Å; L19-T515 HydrophobicContact CD1-CG2 3.81Å; L19-T515 WeakPolarHBondContact CD1-OG1 3.33Å; L19-T515 HydrophobicContact CD2-CG2 3.74Å; L19-T515 HydrophobicContact CG-CG2 4.45Å
20	L	34.6	Very low	32.2	Very low	135 Å²	135	106.5 Å²	106.5	71%	0.707	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-18.4	173.4	-78.3	156.9	0	0	0	112.9	Q17 L18	Q17-L20 PolarHBondContact O-N 2.88Å; L18-L20 PolarHBondContact O-N 2.85Å
21	L	32.7	Very low	31.9	Very low	148 Å²	148	115.3 Å²	115.3	78%	0.775	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-8.9	-176.4	-73.1	163.6	0	0	0	113.9	L18	L18-L21 PolarHBondContact O-N 2.87Å
22	L	32.3	Very low	31.4	Very low	132 Å²	132	119.2 Å²	119.2	69%	0.691	67%	0.674	S	S	*	*			trans	-111	59.6	-179	-66.9	167.9	0	0	0	111
23	S	29.5	Very low	30.8	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	70%	0.697	S	S	*	*			trans	-103.8	112	163.7	-66.7	0	0	0	0	108.8
24	P	34.1	Very low	30.3	Very low	128 Å²	128	120.5 Å²	120.5	83%	0.831	70%	0.702	S	S	*	*			trans	-85.6	117.5	175.6	27.6	-22.4	0	0	0	110.6	A26	P24-A26 PolarHBondContact O-N 2.86Å
25	S	29.7	Very low	29.8	Very low	119 Å²	119	124.1 Å²	124.1	83%	0.832	73%	0.734	S	S	*	*			trans	-70.5	118.2	160.3	50.9	0	0	0	0	110.4
26	A	28.6	Very low	29.2	Very low	88 Å²	88	123.6 Å²	123.6	73%	0.727	75%	0.746	S	S	*	*			trans	23.2	125.6	154.5	0	0	0	0	0	122.7	P24	P24-A26 PolarHBondContact O-N 2.86Å
27	S	27.4	Very low	28.7	Very low	120 Å²	120	133.6 Å²	133.6	84%	0.839	78%	0.777	S	S	*	*			trans	97.8	146.8	131.9	70.3	0	0	0	0	121.1
28	P	34.8	Very low	28.2	Very low	129 Å²	129	136 Å²	136	84%	0.838	79%	0.793	S	S	*	*			trans	-114.5	152.8	-150.9	38.4	-24.7	0	0	0	114.4
29	A	24.6	Very low	27.5	Very low	103 Å²	103	134 Å²	134	85%	0.851	80%	0.801	S	S	*	*			trans	-138.8	128.4	161.4	0	0	0	0	0	110.6
30	R	24.9	Very low	27	Very low	247 Å²	247	135.6 Å²	135.6	93%	0.932	82%	0.823	S	S	*	*			trans	-63.6	141.9	173.3	-80.2	167.8	141.8	166.1	-6.6	110.5
31	E	24.5	Very low	26.5	Very low	198 Å²	198	138.3 Å²	138.3	93%	0.925	84%	0.835	S	S	*	*			trans	-154.5	125.4	143.6	-112.6	167.8	-155.2	0	0	111.3
32	T	22.6	Very low	26.1	Very low	127 Å²	127	134.5 Å²	134.5	78%	0.779	83%	0.831	S	S	*	*			trans	-82.8	142.2	170.7	28.3	0	0	0	0	110.6
33	L	24.1	Very low	25.8	Very low	167 Å²	167	135.8 Å²	135.8	87%	0.874	84%	0.839	S	S	*	*			trans	-177	123.7	134	-99.7	147.6	0	0	0	114.2
34	A	21.9	Very low	25.7	Very low	95 Å²	95	136.3 Å²	136.3	79%	0.785	84%	0.842	S	S	*	*			trans	45.7	139.3	134.7	0	0	0	0	0	124
35	A	24.2	Very low	25.1	Very low	103 Å²	103	136.1 Å²	136.1	85%	0.851	84%	0.842	S	S	*	*			trans	-69.5	152.1	-179.7	0	0	0	0	0	115.6
36	A	22.8	Very low	24.9	Very low	104 Å²	104	136.8 Å²	136.8	86%	0.86	84%	0.841	S	S	*	*			trans	-142.4	124	149.8	0	0	0	0	0	110
37	R	22.1	Very low	24.7	Very low	242 Å²	242	138.4 Å²	138.4	91%	0.913	85%	0.846	S	S	*	*			trans	-81.6	140.9	167	-76.4	178.6	171	-174.3	-3	109.3
38	L	23.8	Very low	24.6	Very low	184 Å²	184	143.2 Å²	143.2	96%	0.963	85%	0.846	S	S	*	*			trans	176	135.2	155.2	-91	147.9	0	0	0	104.2
39	G	23	Very low	24.1	Very low	72 Å²	72	146.2 Å²	146.2	74%	0.742	85%	0.848	S	S	*	*			cis	-179	143.1	0.7	0	0	0	0	0	104.4
40	A	25	Very low	24.2	Very low	102 Å²	102	148.3 Å²	148.3	84%	0.843	85%	0.845	S	S	*	*			trans	-68.6	135.4	-178.8	0	0	0	0	0	111.6
41	M	24.6	Very low	24.4	Very low	193 Å²	193	141.1 Å²	141.1	95%	0.951	83%	0.833	S	S	*	*			trans	-147.7	122.4	150.6	-72.7	-155.8	107.9	0	0	109.3
42	G	23.9	Very low	24.5	Very low	67 Å²	67	138 Å²	138	69%	0.691	82%	0.823	S	S	*	*			trans	-79.9	169.2	169.7	0	0	0	0	0	112.2
43	N	26.2	Very low	24.8	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	83%	0.825	S	S	*	*			trans	-169.2	111.8	150.1	-91.5	-12.3	0	0	0	106.2
44	S	26.2	Very low	24.9	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	83%	0.829	S	S	*	*				68.1	114.8	78.2	-98.6	0	0	0	0	114.8
45	C	22.6	Very low	25.2	Very low	123 Å²	123	143.4 Å²	143.4	83%	0.831	83%	0.827	S	S	*	*			trans	-54.1	149.9	168.7	-68.6	0	0	0	0	112.9
46	V	25.2	Very low	25.3	Very low	133 Å²	133	144.6 Å²	144.6	81%	0.806	82%	0.815	S	S	*	*			trans	-120.1	100.9	165.6	178.3	0	0	0	0	108
47	C	24.9	Very low	25.3	Very low	122 Å²	122	149.2 Å²	149.2	82%	0.824	81%	0.81	S	S	*	*			trans	-85.8	139.8	157	-65.9	0	0	0	0	107.6
48	R	24	Very low	25.5	Very low	222 Å²	222	146 Å²	146	84%	0.838	81%	0.805	S	S	*	*			trans	-109.8	105.7	178.8	-130.2	178.7	170.1	165.5	-2.8	107.9
49	E	25.1	Very low	25.6	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	79%	0.792	S	S	*	*			trans	-118.2	129.3	157.8	-73.8	-175.7	146.3	0	0	105.8
50	D	27.4	Very low	25.7	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	79%	0.793	S	S	*	*			trans	-119.6	123.2	166.2	-81.6	-38.8	0	0	0	107.8
51	S	27.9	Very low	25.9	Very low	96 Å²	96	144.8 Å²	144.8	67%	0.671	79%	0.79	S	S	*	*			trans	-73.3	168.7	165.4	52.4	0	0	0	0	110.1
52	D	27	Very low	26	Very low	132 Å²	132	140.6 Å²	140.6	71%	0.706	78%	0.779	S	S	*	*			cis	-167.7	137.7	49.2	-80.1	-63.9	0	0	0	107.8
53	L	28.1	Very low	26.1	Very low	159 Å²	159	148.8 Å²	148.8	83%	0.832	79%	0.789	S	S	*	*				48.9	107.3	90	-67.6	178.6	0	0	0	117.5
54	E	27.2	Very low	26.2	Very low	205 Å²	205	145.8 Å²	145.8	96%	0.958	78%	0.781	S	S	*	*			trans	-142.3	143	138.9	-81	-162.4	152.5	0	0	110.1
55	D	27.5	Very low	26.1	Very low	139 Å²	139	146 Å²	146	74%	0.743	78%	0.778	S	S	*	*			trans	-119	158.8	-168	-162.7	-4.7	0	0	0	110.8
56	H	26.2	Very low	26.4	Very low	128 Å²	128	151.5 Å²	151.5	59%	0.593	78%	0.781	S	S	*	*			trans	106.3	106.1	156.7	-70	-8.5	0	0	0	123.3
57	R	24.2	Very low	26.4	Very low	200 Å²	200	148.3 Å²	148.3	76%	0.755	78%	0.775	S	S	*	*				75.8	120.2	125.2	-62.3	179.5	-165.3	-139.2	4.2	120.9
58	H	26.4	Very low	26.5	Very low	174 Å²	174	152.1 Å²	152.1	81%	0.806	78%	0.781	S	S	*	*				-169.9	121.8	115.7	-101.7	-65.1	0	0	0	113.8
59	D	24.6	Very low	26.6	Very low	131 Å²	131	145.2 Å²	145.2	70%	0.701	77%	0.771	S	S	*	*			trans	38.2	116.7	136.1	-67.9	-43	0	0	0	124.9
60	S	26	Very low	26.7	Very low	108 Å²	108	147 Å²	147	76%	0.755	77%	0.77	S	S	*	*				96.6	133.1	111.2	73.7	0	0	0	0	122.8
61	A	27.9	Very low	26.7	Very low	95 Å²	95	151.2 Å²	151.2	79%	0.785	78%	0.775	S	S	*	*			trans	70.4	138	148	0	0	0	0	0	118.1
62	S	27.1	Very low	26.7	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	78%	0.781	S	S	*	*			cis	-173.5	156.6	7.6	49.9	0	0	0	0	110.1
63	R	27.2	Very low	26.7	Very low	239 Å²	239	152.9 Å²	152.9	90%	0.902	78%	0.781	S	S	*	*			trans	34.9	140.2	137.1	-78.7	175.4	171.3	176.3	-2.9	119.2
64	S	26.6	Very low	26.7	Very low	97 Å²	97	154 Å²	154	68%	0.678	78%	0.781	S	S	*	*			cis	-174.1	149.3	29.6	45.7	0	0	0	0	111.3
65	T	25.9	Very low	26.7	Very low	120 Å²	120	147.5 Å²	147.5	74%	0.736	77%	0.769	S	S	*	*			trans	8.8	151.2	133.9	51.7	0	0	0	0	118.8
66	R	27.1	Very low	26.7	Very low	238 Å²	238	145.8 Å²	145.8	90%	0.898	78%	0.775	S	S	*	*			cis	-179.5	147.2	26.9	-127.9	167.7	-176.4	-177.3	-0.2	107.5
67	G	26.9	Very low	26.7	Very low	66 Å²	66	144 Å²	144	68%	0.68	78%	0.781	S	S	*	*				114.8	112.5	121.5	0	0	0	0	0	113.3
68	Q	26.7	Very low	26.9	Very low	202 Å²	202	141.7 Å²	141.7	94%	0.944	79%	0.79	S	S	*	*				54.1	131.8	86.1	-82.9	-173.8	8.9	0	0	112.9
69	A	26.5	Very low	27	Very low	78 Å²	78	137 Å²	137	65%	0.645	79%	0.788	S	S	*	*			cis	-174.1	166.8	16.7	0	0	0	0	0	111.4
70	R	26.9	Very low	27.1	Very low	229 Å²	229	135.2 Å²	135.2	86%	0.864	79%	0.791	S	S	*	*			trans	65.2	116.3	144.8	-77.1	171.5	175.8	-169.8	-2.3	119.3
71	R	27.1	Very low	27.2	Very low	236 Å²	236	137.4 Å²	137.4	89%	0.891	80%	0.795	S	S	*	*				64.8	120.2	83.4	-83.6	-164.2	-178.4	-162.9	1	113.7
72	V	28.2	Very low	27.2	Very low	131 Å²	131	138 Å²	138	79%	0.794	79%	0.793	S	S	*	*				168.5	145.6	98.8	173.2	0	0	0	0	110.6
73	D	26.6	Very low	27.3	Very low	132 Å²	132	138 Å²	138	71%	0.706	80%	0.799	S	S	*	*			trans	-37.3	171.3	174.9	-79	-54.6	0	0	0	125.2
74	H	28.9	Very low	27.5	Very low	181 Å²	181	134.3 Å²	134.3	84%	0.838	80%	0.797	S	S	*	*			trans	92.6	137.5	153.9	-58.5	-49.1	0	0	0	116.4
75	G	26.3	Very low	27.6	Very low	69 Å²	69	141 Å²	141	71%	0.711	81%	0.808	S	S	*	*			cis	171.7	147.8	1.4	0	0	0	0	0	109.9
76	A	26.6	Very low	28	Very low	104 Å²	104	141 Å²	141	86%	0.86	81%	0.813	S	S	*	*			trans	50	115.9	148.3	0	0	0	0	0	123.3
77	A	27.6	Very low	28.2	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	81%	0.806	S	S	*	*				108.3	127.3	114.3	0	0	0	0	0	122.3
78	V	28	Very low	28.5	Very low	153 Å²	153	143.2 Å²	143.2	93%	0.927	82%	0.817	S	S	*	*			trans	73.2	126.3	146.9	-145.2	0	0	0	0	122.1
79	G	27.7	Very low	28.9	Very low	74 Å²	74	139.5 Å²	139.5	76%	0.763	81%	0.811	S	S	*	*			trans	161.3	113.4	151.4	0	0	0	0	0	114.2
80	A	27.1	Very low	29.2	Very low	94 Å²	94	147.4 Å²	147.4	78%	0.777	82%	0.824	S	S	*	*			trans	-72.2	148.7	-179.1	0	0	0	0	0	113.9
81	D	27.6	Very low	29.7	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	82%	0.82	S	S	*	*				168	150.9	103.4	-108.3	-25.3	0	0	0	114.8
82	S	29.2	Very low	30.4	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	82%	0.817	S	S	*	*			trans	73.1	105.5	152.7	66.6	0	0	0	0	122
83	A	29.4	Very low	31	Very low	104 Å²	104	138.5 Å²	138.5	86%	0.86	82%	0.818	S	S	*	*				33.6	116	129.7	0	0	0	0	0	121
84	D	31.2	Very low	31.4	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	82%	0.824	S	S	*	*				-156.3	149.2	119.3	-152.7	0.2	0	0	0	112.1
85	R	29.1	Very low	31.8	Very low	237 Å²	237	139 Å²	139	89%	0.894	82%	0.817	S	S	*	*			trans	-81.2	132.5	-174	-71.2	169.4	166	-174.4	-4	111.2
86	S	32.8	Very low	32.2	Very low	122 Å²	122	141.3 Å²	141.3	85%	0.853	82%	0.819	S	S	*	*			trans	-156.7	121.4	155.5	176.1	0	0	0	0	110.8
87	S	30.9	Very low	32.8	Very low	108 Å²	108	147.7 Å²	147.7	76%	0.755	82%	0.821	S	S	*	*			trans	-79.5	132	-173.8	48.1	0	0	0	0	113.3
88	R	34.1	Very low	33.6	Very low	241 Å²	241	155.1 Å²	155.1	91%	0.909	83%	0.83	S	S	*	*			trans	-162.1	153	150.8	-103.2	161.9	-163	-152.4	5.3	110.9
89	P	35.2	Very low	33.9	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.1	146.8	-148.4	31.3	-32.8	0	0	0	114.4
90	R	33.5	Very low	34.5	Very low	244 Å²	244	158.7 Å²	158.7	92%	0.921	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-74.9	136.2	178.3	-80.7	175.1	169.8	158.5	-3.5	111.8
91	D	37.4	Very low	35	Very low	145 Å²	145	156.6 Å²	156.6	78%	0.775	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-51.5	140.5	158.7	-79.5	-48.8	0	0	0	111.7	V93	D91-V93 PolarHBondContact O-N 2.91Å; D91-V93 VanDerWaalsContact O-N 3.09Å
92	P	41.3	Very low	35.3	Very low	129 Å²	129	155.6 Å²	155.6	84%	0.838	82%	0.815	S	S	*	*			trans	-70.1	108.1	168.3	26.9	-28.4	0	0	0	109.8	R94	P92-R94 PolarHBondContact O-N 3.44Å
93	V	39.9	Very low	36	Very low	134 Å²	134	159 Å²	159	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-48.6	124.7	171.9	173.3	0	0	0	0	111.2	D91	D91-V93 PolarHBondContact O-N 2.91Å; D91-V93 VanDerWaalsContact O-N 3.09Å
94	R	36.7	Very low	36.5	Very low	216 Å²	216	158.9 Å²	158.9	82%	0.815	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-51.1	130	168.4	-162.7	179.7	-152.5	-177.5	7.5	110	P92	P92-R94 PolarHBondContact O-N 3.44Å
95	P	36.4	Very low	36.8	Very low	108 Å²	108	156.2 Å²	156.2	70%	0.701	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.4	145.9	179	-4.3	13.3	0	0	0	110.7	R97	P95-R97 PolarHBondContact O-N 3.08Å
96	P	33.6	Very low	37.4	Very low	117 Å²	117	156.9 Å²	156.9	76%	0.76	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.8	134.6	176.8	26.9	-32.1	0	0	0	110.1	R98	P96-R98 PolarHBondContact O-N 3.46Å
97	R	39.2	Very low	38.3	Very low	238 Å²	238	158.6 Å²	158.6	90%	0.898	78%	0.783	S	S	*	*			trans	-50.3	113.7	172.8	-72.6	179.1	174.4	-178.1	-3.2	109.1	P95 G99	P95-R97 PolarHBondContact O-N 3.08Å; R97-G99 PolarHBondContact O-N 2.95Å
98	R	44.5	Very low	39.2	Very low	246 Å²	246	162.4 Å²	162.4	93%	0.928	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62	124.2	172	-77.2	-176.5	176.9	-174.7	-0	108.6	P96	P96-R98 PolarHBondContact O-N 3.46Å
99	G	34.5	Very low	39.8	Very low	71 Å²	71	161.3 Å²	161.3	73%	0.732	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.2	146.6	174.4	0	0	0	0	0	111.6	R97 G101	R97-G99 PolarHBondContact O-N 2.95Å; G99-G101 PolarHBondContact O-N 3.24Å
100	R	40.4	Very low	41.2	Very low	231 Å²	231	159.7 Å²	159.7	87%	0.872	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-51.2	128.2	177.5	-69.6	179	-177.9	-156.7	-1.5	111.2
101	G	37.1	Very low	43.8	Very low	49 Å²	49	152.8 Å²	152.8	51%	0.505	75%	0.75	S	S	.	*	P	Polyproline II helix	trans	-73.6	159.4	169.8	0	0	0	0	0	112	G99 H103	G99-G101 PolarHBondContact O-N 3.24Å; G101-H103 PolarHBondContact O-N 2.79Å
102	P	35	Very low	46.4	Very low	133 Å²	133	146.6 Å²	146.6	86%	0.864	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	4.6	-169.8	-13.5	29.7	0	0	0	115.8
103	H	43.7	Very low	49	Very low	179 Å²	179	142 Å²	142	83%	0.829	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	15.3	-173.2	-84.8	-67.5	0	0	0	114.9	G101 P105	G101-H103 PolarHBondContact O-N 2.79Å; H103-P105 WeakPolarHBondContact O-CD 3.37Å
104	E	40.3	Very low	51.7	Low	101 Å²	101	136.4 Å²	136.4	47%	0.472	66%	0.655	S	S	.	*			trans	-76.2	120	171.5	-141	-179.9	173	0	0	109.6	R106 R107	E104-R106 PolarHBondContact O-N 3.05Å; E104-R107 IonicContact OE1-CZ 3.61Å; E104-R107 IonicContact OE1-NE 2.72Å; E104-R107 IonicContact OE1-NH2 2.59Å; E104-R107 PolarHBondContact OE1-NH2 2.83Å
105	P	38.1	Very low	54.4	Low	106 Å²	106	126.4 Å²	126.4	69%	0.688	62%	0.618	S	S	*	*			trans	-54.8	135.2	176.5	-20.5	30.4	0	0	0	109.5	H103 R107	H103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-R107 PolarHBondContact O-N 2.94Å
106	R	40.5	Very low	57.3	Low	252 Å²	252	121.3 Å²	121.3	95%	0.951	59%	0.585	S	S	*	*			trans	-54.8	100.6	171.4	-90.7	177.4	159.2	157	-5.6	108.7	E104 K108	E104-R106 PolarHBondContact O-N 3.05Å; R106-K108 PolarHBondContact O-N 2.82Å
107	R	51.9	Low	60.2	Low	158 Å²	158	119.2 Å²	119.2	60%	0.596	57%	0.567	S	S	*	*			trans	-61	119.1	-179.4	-65.7	-175.6	-171.7	-167.1	2	108.8	E104 P105	E104-R107 IonicContact OE1-CZ 3.61Å; E104-R107 IonicContact OE1-NE 2.72Å; E104-R107 IonicContact OE1-NH2 2.59Å; E104-R107 PolarHBondContact OE1-NH2 2.83Å; P105-R107 PolarHBondContact O-N 2.94Å
108	K	49	Very low	62.8	Low	187 Å²	187	111 Å²	111	81%	0.813	54%	0.541	S	S	*	.			trans	-58.6	146.4	168.5	-75.8	177.9	177.1	176.4	0	107.8	R106 Q110	R106-K108 PolarHBondContact O-N 2.82Å; K108-Q110 VanDerWaalsContact C-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.79Å
109	K	47.3	Very low	65.1	Low	218 Å²	218	99.2 Å²	99.2	95%	0.948	50%	0.497	S	S	*	.			trans	-55.9	100.9	165.9	-122.8	-178.6	178	-173.1	0	106.4
110	Q	64.1	Low	67.8	Low	91 Å²	91	96.4 Å²	96.4	43%	0.425	47%	0.465	S	S	.	.			trans	-75.8	128.7	177.9	-75.9	177.9	-41.8	0	0	107.3	K108 L115 D118	K108-Q110 VanDerWaalsContact C-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.79Å; Q110-L115 HydrophobicContact CB-CD2 4.17Å; Q110-L115 HydrophobicContact CB-CG 4.36Å; Q110-D118 PolarHBondContact NE2-OD2 2.92Å
111	N	88.1	Confident	70.3	Confident	100 Å²	100	89.1 Å²	89.1	54%	0.535	45%	0.454	S	S	.	.			trans	-78.2	164.2	167.6	59.5	-8.6	0	0	0	109.1	D113 G114 L115	N111-D113 PolarHBondContact O-N 2.79Å; N111-D113 VanDerWaalsContact O-N 3.15Å; N111-G114 PolarHBondContact O-N 2.99Å; N111-G114 PolarHBondContact OD1-N 3.22Å; N111-L115 PolarHBondContact O-N 3.44Å
112	V	93.7	Very high	72.7	Confident	14 Å²	14	89.2 Å²	89.2	9%	0.085	45%	0.445	C	S	.	.	H	α-helix	trans	-52.7	-37.9	-178.4	-172.2	0	0	0	0	112	G114 L115 V116 L140 M143 E152 V153 S156	V112-G114 PolarHBondContact O-N 2.93Å; V112-L115 PolarHBondContact O-N 3.16Å; V112-L115 VanDerWaalsContact O-N 3.16Å; V112-V116 PolarHBondContact O-N 3.11Å; V112-L140 HydrophobicContact CG1-CD2 3.7Å; V112-M143 HydrophobicContact CG2-CE 3.36Å; V112-M143 HydrophobicContact CG2-SD 4.19Å; V112-E152 HydrophobicContact CG2-CB 4.28Å; V112-V153 HydrophobicContact CG1-CG2 4.12Å; V112-S156 PolarHBondContact O-OG 2.83Å
113	D	95.8	Very high	75.1	Confident	32 Å²	32	83.9 Å²	83.9	17%	0.171	41%	0.409	C	S	.	.	H	α-helix	trans	-55.9	-47.8	175.6	-65.5	31.8	0	0	0	112.1	N111 L115 V116 L117 S156 R159 V160	N111-D113 PolarHBondContact O-N 2.79Å; N111-D113 VanDerWaalsContact O-N 3.15Å; D113-L115 VanDerWaalsContact C-N 3.33Å; D113-L115 PolarHBondContact O-N 3.46Å; D113-V116 PolarHBondContact O-N 2.97Å; D113-L117 WeakPolarHBondContact O-CG 3.47Å; D113-L117 PolarHBondContact O-N 2.64Å; D113-S156 VanDerWaalsContact CA-OG 3.28Å; D113-S156 WeakPolarHBondContact CA-OG 3.49Å; D113-S156 PolarHBondContact N-OG 3.1Å; D113-S156 PolarHBondContact OD1-OG 3.33Å; D113-R159 VanDerWaalsContact CG-NH2 3.31Å; D113-R159 IonicContact OD1-CZ 3.63Å; D113-R159 IonicContact OD1-NE 3.44Å; D113-R159 IonicContact OD1-NH2 2.76Å; D113-R159 PolarHBondContact OD1-NH2 3.39Å; D113-R159 IonicContact OD2-CZ 2.62Å; D113-R159 IonicContact OD2-NE 2.93Å; D113-R159 PolarHBondContact OD2-NE 3.35Å; D113-R159 IonicContact OD2-NH2 3.72Å; D113-R159 PolarHBondContact OD2-NH2 3.31Å; D113-V160 HydrophobicContact CB-CG1 3.72Å; D113-V160 VanDerWaalsContact CG-CG1 3.49Å; D113-V160 WeakPolarHBondContact OD2-CG1 3.5Å
114	G	95	Very high	77.1	Confident	17 Å²	17	80 Å²	80	18%	0.175	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-40.7	176.4	0	0	0	0	0	112	N111 V112 L117 D118	N111-G114 PolarHBondContact O-N 2.99Å; N111-G114 PolarHBondContact OD1-N 3.22Å; V112-G114 PolarHBondContact O-N 2.93Å; G114-L117 PolarHBondContact O-N 3.48Å; G114-D118 VanDerWaalsContact O-CB 3.3Å; G114-D118 WeakPolarHBondContact O-CB 3.26Å; G114-D118 PolarHBondContact O-N 2.83Å
115	L	95.1	Very high	79	Confident	7 Å²	7	79.1 Å²	79.1	4%	0.037	39%	0.388	C	S	.	.	H	α-helix	trans	-66.5	-40.7	178.5	-62.2	172.4	0	0	0	112.1	Q110 N111 V112 D113 D118 T119 S136 T139 L140 M143	Q110-L115 HydrophobicContact CB-CD2 4.17Å; Q110-L115 HydrophobicContact CB-CG 4.36Å; N111-L115 PolarHBondContact O-N 3.44Å; V112-L115 PolarHBondContact O-N 3.16Å; V112-L115 VanDerWaalsContact O-N 3.16Å; D113-L115 VanDerWaalsContact C-N 3.33Å; D113-L115 PolarHBondContact O-N 3.46Å; L115-D118 PolarHBondContact O-N 2.91Å; L115-T119 PolarHBondContact O-N 3.26Å; L115-T119 PolarHBondContact O-OG1 3.23Å; L115-S136 WeakPolarHBondContact O-CB 3.32Å; L115-T139 HydrophobicContact CD1-CG2 3.69Å; L115-L140 HydrophobicContact CB-CD1 4.02Å; L115-L140 HydrophobicContact CB-CD2 3.85Å; L115-L140 HydrophobicContact CB-CG 3.8Å; L115-L140 HydrophobicContact CD1-CD2 4.28Å; L115-L140 HydrophobicContact CD1-CG 4.39Å; L115-M143 HydrophobicContact CD1-SD 4.17Å
116	V	95.6	Very high	80.9	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-45.7	176.6	168.7	0	0	0	0	110.8	V112 D113 T119 L120 L140 S156 L157 V160 I161	V112-V116 PolarHBondContact O-N 3.11Å; D113-V116 PolarHBondContact O-N 2.97Å; V116-T119 PolarHBondContact O-N 3.34Å; V116-L120 PolarHBondContact O-N 3.21Å; V116-L140 HydrophobicContact CG2-CD1 4.03Å; V116-L140 HydrophobicContact CG2-CD2 4.02Å; V116-S156 WeakPolarHBondContact CG2-OG 3.33Å; V116-L157 HydrophobicContact CG1-CD2 3.88Å; V116-L157 HydrophobicContact CG2-CD2 4.09Å; V116-V160 HydrophobicContact CB-CG2 3.88Å; V116-V160 HydrophobicContact CG1-CG2 3.51Å; V116-I161 HydrophobicContact CG1-CD1 4.07Å; V116-I161 HydrophobicContact CG1-CG1 3.83Å
117	L	95.3	Very high	82.5	Confident	74 Å²	74	65.4 Å²	65.4	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-38	178	-68.9	173.9	0	0	0	112.4	D113 G114 L120 A121 V160	D113-L117 WeakPolarHBondContact O-CG 3.47Å; D113-L117 PolarHBondContact O-N 2.64Å; G114-L117 PolarHBondContact O-N 3.48Å; L117-L120 PolarHBondContact O-N 3.29Å; L117-A121 WeakPolarHBondContact O-CB 3.4Å; L117-A121 PolarHBondContact O-N 2.65Å; L117-V160 HydrophobicContact CD1-CB 4.44Å; L117-V160 HydrophobicContact CD2-CB 4.23Å; L117-V160 HydrophobicContact CD2-CG2 4.05Å; L117-V160 HydrophobicContact CG-CB 4.23Å; L117-V160 HydrophobicContact CG-CG2 3.95Å
118	D	93.3	Very high	83.1	Confident	64 Å²	64	61.8 Å²	61.8	34%	0.342	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-43.3	174.7	-75.4	-11.2	0	0	0	110.7	Q110 G114 L115 A121 V122	Q110-D118 PolarHBondContact NE2-OD2 2.92Å; G114-D118 VanDerWaalsContact O-CB 3.3Å; G114-D118 WeakPolarHBondContact O-CB 3.26Å; G114-D118 PolarHBondContact O-N 2.83Å; L115-D118 PolarHBondContact O-N 2.91Å; D118-A121 PolarHBondContact O-N 2.74Å; D118-V122 WeakPolarHBondContact O-CG2 3.38Å; D118-V122 PolarHBondContact O-N 2.65Å
119	T	92.5	Very high	83.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-46.5	174.3	-60.1	0	0	0	0	111.2	L115 V116 A121 V122 I123 S136 M137 V171 L175	L115-T119 PolarHBondContact O-N 3.26Å; L115-T119 PolarHBondContact O-OG1 3.23Å; V116-T119 PolarHBondContact O-N 3.34Å; T119-A121 VanDerWaalsContact C-N 3.31Å; T119-A121 PolarHBondContact O-N 2.91Å; T119-V122 WeakPolarHBondContact O-CG2 3.31Å; T119-V122 PolarHBondContact O-N 3.01Å; T119-I123 WeakPolarHBondContact O-CB 3.49Å; T119-I123 PolarHBondContact O-N 3.46Å; T119-S136 PolarHBondContact N-OG 2.87Å; T119-S136 VanDerWaalsContact OG1-CB 3.32Å; T119-S136 WeakPolarHBondContact OG1-CB 3.29Å; T119-S136 PolarHBondContact OG1-OG 3.37Å; T119-M137 HydrophobicContact CG2-CB 4.37Å; T119-M137 PolarHBondContact OG1-N 3.38Å; T119-V171 HydrophobicContact CG2-CG1 4.36Å; T119-L175 HydrophobicContact CG2-CD1 4.27Å; T119-L175 HydrophobicContact CG2-CD2 4.26Å; T119-L175 HydrophobicContact CG2-CG 4.44Å
120	L	93	Very high	84.6	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-40.4	176.6	-178.5	63.2	0	0	0	112.2	V116 L117 V122 I123 P162 D165 L167 V171	V116-L120 PolarHBondContact O-N 3.21Å; L117-L120 PolarHBondContact O-N 3.29Å; L120-V122 VanDerWaalsContact C-N 3.28Å; L120-V122 PolarHBondContact O-N 2.92Å; L120-I123 HydrophobicContact CD1-CG2 4.49Å; L120-I123 VanDerWaalsContact O-CG2 3.32Å; L120-I123 WeakPolarHBondContact O-CG2 3.3Å; L120-P162 HydrophobicContact CD2-CG 4.04Å; L120-D165 HydrophobicContact CD2-CB 4.21Å; L120-L167 HydrophobicContact CD1-CB 4.46Å; L120-V171 HydrophobicContact CD1-CB 4.18Å; L120-V171 HydrophobicContact CD1-CG2 3.61Å
121	A	91.1	Very high	85.1	Confident	78 Å²	78	55.1 Å²	55.1	65%	0.645	31%	0.305	S	S	*	.	H	α-helix	trans	-66.2	-29.8	-179.5	0	0	0	0	0	113.2	L117 D118 T119	L117-A121 WeakPolarHBondContact O-CB 3.4Å; L117-A121 PolarHBondContact O-N 2.65Å; D118-A121 PolarHBondContact O-N 2.74Å; T119-A121 VanDerWaalsContact C-N 3.31Å; T119-A121 PolarHBondContact O-N 2.91Å
122	V	89.1	Confident	84.8	Confident	51 Å²	51	58.4 Å²	58.4	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-100.6	-11.6	-177.7	-56.5	0	0	0	0	113.6	D118 T119 L120 R124 T125 P134	D118-V122 WeakPolarHBondContact O-CG2 3.38Å; D118-V122 PolarHBondContact O-N 2.65Å; T119-V122 WeakPolarHBondContact O-CG2 3.31Å; T119-V122 PolarHBondContact O-N 3.01Å; L120-V122 VanDerWaalsContact C-N 3.28Å; L120-V122 PolarHBondContact O-N 2.92Å; V122-R124 VanDerWaalsContact C-N 3.26Å; V122-R124 PolarHBondContact O-N 3.35Å; V122-T125 WeakPolarHBondContact O-CA 3.34Å; V122-T125 WeakPolarHBondContact O-CB 3.11Å; V122-T125 PolarHBondContact O-N 3.04Å; V122-T125 PolarHBondContact O-OG1 2.81Å; V122-P134 HydrophobicContact CG2-CB 3.8Å; V122-P134 HydrophobicContact CG2-CG 3.53Å
123	I	85.5	Confident	84.3	Confident	21 Å²	21	61 Å²	61	11%	0.108	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-36.4	-172.5	-161	74.5	0	0	0	113.3	T119 L120 T125 L126 L167 V171 L174	T119-I123 WeakPolarHBondContact O-CB 3.49Å; T119-I123 PolarHBondContact O-N 3.46Å; L120-I123 HydrophobicContact CD1-CG2 4.49Å; L120-I123 VanDerWaalsContact O-CG2 3.32Å; L120-I123 WeakPolarHBondContact O-CG2 3.3Å; I123-T125 PolarHBondContact O-N 3.37Å; I123-T125 VanDerWaalsContact O-N 3.1Å; I123-L126 HydrophobicContact CD1-CD1 3.67Å; I123-L126 WeakPolarHBondContact O-CB 3.31Å; I123-L126 PolarHBondContact O-N 2.62Å; I123-L167 HydrophobicContact CG2-CB 3.94Å; I123-L167 HydrophobicContact CG2-CD1 3.63Å; I123-L167 HydrophobicContact CG2-CG 4.43Å; I123-V171 HydrophobicContact CB-CG2 3.96Å; I123-V171 HydrophobicContact CD1-CG2 4.36Å; I123-V171 HydrophobicContact CG1-CG2 3.89Å; I123-V171 HydrophobicContact CG2-CG2 3.8Å; I123-L174 HydrophobicContact CD1-CD2 3.2Å; I123-L174 HydrophobicContact CG1-CD2 4.34Å
124	R	84.4	Confident	84	Confident	96 Å²	96	60.6 Å²	60.6	36%	0.362	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	176.6	-170.8	179.8	-73.6	134	4.2	112.5	V122 L167 C416 R417	V122-R124 VanDerWaalsContact C-N 3.26Å; V122-R124 PolarHBondContact O-N 3.35Å; R124-L167 HydrophobicContact CB-CD1 3.92Å; R124-L167 HydrophobicContact CG-CD1 4.4Å; R124-C416 WeakPolarHBondContact CD-O 3.36Å; R124-R417 HydrophobicContact CG-CG 3.94Å; R124-R417 WeakPolarHBondContact O-CD 3.42Å; R124-R417 WeakPolarHBondContact O-CG 3.25Å
125	T	81.1	Confident	83.8	Confident	83 Å²	83	66.2 Å²	66.2	51%	0.509	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.5	179.6	73.5	0	0	0	0	113.5	V122 I123 V127 Q131	V122-T125 WeakPolarHBondContact O-CA 3.34Å; V122-T125 WeakPolarHBondContact O-CB 3.11Å; V122-T125 PolarHBondContact O-N 3.04Å; V122-T125 PolarHBondContact O-OG1 2.81Å; I123-T125 PolarHBondContact O-N 3.37Å; I123-T125 VanDerWaalsContact O-N 3.1Å; T125-V127 PolarHBondContact O-N 3.49Å; T125-Q131 PolarHBondContact O-OE1 3.2Å
126	L	78.4	Confident	83.6	Confident	42 Å²	42	66.3 Å²	66.3	22%	0.22	35%	0.351	C	S	.	.			trans	-80.3	102.1	171.8	-61.3	-175.9	0	0	0	108.7	I123 Q131 P134	I123-L126 HydrophobicContact CD1-CD1 3.67Å; I123-L126 WeakPolarHBondContact O-CB 3.31Å; I123-L126 PolarHBondContact O-N 2.62Å; L126-Q131 HydrophobicContact CD2-CG 4.49Å; L126-P134 HydrophobicContact CD1-CG 3.84Å; L126-P134 HydrophobicContact CD2-CG 3.88Å; L126-P134 HydrophobicContact CG-CG 4.24Å
127	V	72.9	Confident	83.4	Confident	29 Å²	29	67 Å²	67	18%	0.176	36%	0.355	C	S	.	.			trans	-115.8	-50.1	-167.8	169.1	0	0	0	0	109	T125 L419 W421 S426	T125-V127 PolarHBondContact O-N 3.49Å; V127-L419 HydrophobicContact CB-CD1 4.47Å; V127-L419 HydrophobicContact CG1-CD1 3.81Å; V127-L419 HydrophobicContact CG2-CD1 3.71Å; V127-W421 HydrophobicContact CB-CH2 4.19Å; V127-W421 HydrophobicContact CB-CZ2 4.44Å; V127-W421 HydrophobicContact CG1-CH2 3.16Å; V127-W421 HydrophobicContact CG1-CZ2 3.49Å; V127-W421 VanDerWaalsContact CG1-CZ2 3.49Å; V127-W421 HydrophobicContact CG1-CZ3 4.1Å; V127-W421 WeakPolarHBondContact O-CH2 3.45Å; V127-S426 WeakPolarHBondContact CG1-OG 3.4Å
128	D	65.9	Low	83.3	Confident	81 Å²	81	66.7 Å²	66.7	43%	0.433	35%	0.353	S	S	.	.			trans	-98	135.6	-175.9	-61.5	-30.1	0	0	0	111.4	D130 Q131	D128-D130 PolarHBondContact O-N 2.85Å; D128-Q131 HydrophobicContact CB-CB 4.41Å; D128-Q131 WeakPolarHBondContact O-CB 3.41Å; D128-Q131 PolarHBondContact O-N 2.98Å
129	N	62.9	Low	83.3	Confident	110 Å²	110	64.5 Å²	64.5	59%	0.588	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.4	174.6	-72.8	-20.8	0	0	0	113	Q131 E400	N129-Q131 VanDerWaalsContact C-N 3.32Å; N129-E400 PolarHBondContact ND2-O 2.99Å; N129-E400 VanDerWaalsContact ND2-O 3.14Å
130	D	64.3	Low	83.4	Confident	162 Å²	162	64.6 Å²	64.6	87%	0.866	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.4	176.8	-67.3	-33.9	0	0	0	113.3	D128	D128-D130 PolarHBondContact O-N 2.85Å
131	Q	75	Confident	83.4	Confident	84 Å²	84	65.8 Å²	65.8	39%	0.393	35%	0.347	S	S	.	.	S	Bend	trans	-72.8	132.7	179.6	-171.2	175.4	-5.4	0	0	110.4	T125 L126 D128 N129	T125-Q131 PolarHBondContact O-OE1 3.2Å; L126-Q131 HydrophobicContact CD2-CG 4.49Å; D128-Q131 HydrophobicContact CB-CB 4.41Å; D128-Q131 WeakPolarHBondContact O-CB 3.41Å; D128-Q131 PolarHBondContact O-N 2.98Å; N129-Q131 VanDerWaalsContact C-N 3.32Å
132	E	80.1	Confident	83.6	Confident	169 Å²	169	67.8 Å²	67.8	79%	0.79	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-59.2	132.8	174.1	-74.2	-172.9	169.5	0	0	110.4
133	P	84.9	Confident	83.8	Confident	70 Å²	70	68 Å²	68	46%	0.455	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-56.8	147.2	176.8	-25.3	33.5	0	0	0	111.7	M137 I138	P133-M137 HydrophobicContact CB-SD 4.29Å; P133-I138 HydrophobicContact CB-CD1 4.39Å; P133-I138 HydrophobicContact CB-CG1 4Å; P133-I138 WeakPolarHBondContact O-CD1 3.46Å
134	P	87.9	Confident	84.2	Confident	22 Å²	22	67.1 Å²	67.1	14%	0.143	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-57.3	146	177.3	-23.6	33.2	0	0	0	112	V122 L126 S136 M137 I138	V122-P134 HydrophobicContact CG2-CB 3.8Å; V122-P134 HydrophobicContact CG2-CG 3.53Å; L126-P134 HydrophobicContact CD1-CG 3.84Å; L126-P134 HydrophobicContact CD2-CG 3.88Å; L126-P134 HydrophobicContact CG-CG 4.24Å; P134-S136 PolarHBondContact O-N 2.9Å; P134-S136 VanDerWaalsContact O-N 3.11Å; P134-M137 HydrophobicContact CB-CB 4.44Å; P134-M137 WeakPolarHBondContact O-CB 3.26Å; P134-M137 PolarHBondContact O-N 3.12Å; P134-I138 PolarHBondContact O-N 2.64Å
135	Y	90.6	Very high	84.7	Confident	136 Å²	136	69.6 Å²	69.6	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-52	-37.8	176.6	172.6	-104	0	0	0	113	I138 T139	Y135-I138 PolarHBondContact O-N 3.38Å; Y135-T139 WeakPolarHBondContact CE2-OG1 3.39Å; Y135-T139 VanDerWaalsContact CZ-OG1 3.23Å; Y135-T139 WeakPolarHBondContact O-CB 3.41Å; Y135-T139 PolarHBondContact O-N 3.11Å; Y135-T139 PolarHBondContact O-OG1 3.49Å
136	S	92.3	Very high	85.4	Confident	8 Å²	8	69.7 Å²	69.7	6%	0.056	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-42.4	177.7	55.4	0	0	0	0	112.3	L115 T119 P134 T139 L140	L115-S136 WeakPolarHBondContact O-CB 3.32Å; T119-S136 PolarHBondContact N-OG 2.87Å; T119-S136 VanDerWaalsContact OG1-CB 3.32Å; T119-S136 WeakPolarHBondContact OG1-CB 3.29Å; T119-S136 PolarHBondContact OG1-OG 3.37Å; P134-S136 PolarHBondContact O-N 2.9Å; P134-S136 VanDerWaalsContact O-N 3.11Å; S136-T139 PolarHBondContact O-N 2.94Å; S136-L140 WeakPolarHBondContact O-CB 3.43Å; S136-L140 WeakPolarHBondContact O-CD1 3.35Å; S136-L140 WeakPolarHBondContact O-CG 3.45Å; S136-L140 PolarHBondContact O-N 2.74Å
137	M	91.6	Very high	86.1	Confident	15 Å²	15	70.2 Å²	70.2	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-47.1	177.3	-176.6	170.1	179.9	0	0	111.3	T119 P133 P134 T139 L140 H141 L174 L175 E178	T119-M137 HydrophobicContact CG2-CB 4.37Å; T119-M137 PolarHBondContact OG1-N 3.38Å; P133-M137 HydrophobicContact CB-SD 4.29Å; P134-M137 HydrophobicContact CB-CB 4.44Å; P134-M137 WeakPolarHBondContact O-CB 3.26Å; P134-M137 PolarHBondContact O-N 3.12Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 2.67Å; M137-L140 PolarHBondContact O-N 2.92Å; M137-H141 VanDerWaalsContact CE-CE1 3.43Å; M137-H141 WeakPolarHBondContact CE-CE1 3.41Å; M137-H141 PolarHBondContact O-N 2.98Å; M137-L174 HydrophobicContact CE-CD1 4.02Å; M137-L174 HydrophobicContact CE-CD2 3.86Å; M137-L174 HydrophobicContact CE-CG 3.7Å; M137-L174 HydrophobicContact SD-CD2 4.16Å; M137-L175 HydrophobicContact CB-CD2 4.44Å; M137-L175 HydrophobicContact CG-CD2 3.91Å; M137-E178 HydrophobicContact CE-CG 4.48Å
138	I	91.6	Very high	87.2	Confident	67 Å²	67	73.5 Å²	73.5	34%	0.344	37%	0.374	S	S	.	.	H	α-helix	trans	-57.2	-48.4	176.3	-62.1	171.5	0	0	0	110.4	P133 P134 Y135 L140 H141 E142	P133-I138 HydrophobicContact CB-CD1 4.39Å; P133-I138 HydrophobicContact CB-CG1 4Å; P133-I138 WeakPolarHBondContact O-CD1 3.46Å; P134-I138 PolarHBondContact O-N 2.64Å; Y135-I138 PolarHBondContact O-N 3.38Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.45Å; I138-H141 PolarHBondContact O-N 2.92Å; I138-E142 HydrophobicContact CG2-CG 4.46Å; I138-E142 WeakPolarHBondContact O-CG 3.44Å; I138-E142 PolarHBondContact O-N 3.01Å
139	T	93.8	Very high	88.6	Confident	19 Å²	19	70.1 Å²	70.1	12%	0.117	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-40.7	-179.5	-54	0	0	0	0	111.6	L115 Y135 S136 M137 E142 M143	L115-T139 HydrophobicContact CD1-CG2 3.69Å; Y135-T139 WeakPolarHBondContact CE2-OG1 3.39Å; Y135-T139 VanDerWaalsContact CZ-OG1 3.23Å; Y135-T139 WeakPolarHBondContact O-CB 3.41Å; Y135-T139 PolarHBondContact O-N 3.11Å; Y135-T139 PolarHBondContact O-OG1 3.49Å; S136-T139 PolarHBondContact O-N 2.94Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 2.67Å; T139-E142 PolarHBondContact O-N 2.76Å; T139-M143 HydrophobicContact CG2-SD 4.43Å; T139-M143 VanDerWaalsContact O-CG 3.25Å; T139-M143 WeakPolarHBondContact O-CG 3.46Å; T139-M143 PolarHBondContact O-N 2.76Å
140	L	94.6	Very high	90.2	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-41.7	176.6	-74.1	164.8	0	0	0	111.8	V112 L115 V116 S136 M137 I138 M143 A144 V153 L175	V112-L140 HydrophobicContact CG1-CD2 3.7Å; L115-L140 HydrophobicContact CB-CD1 4.02Å; L115-L140 HydrophobicContact CB-CD2 3.85Å; L115-L140 HydrophobicContact CB-CG 3.8Å; L115-L140 HydrophobicContact CD1-CD2 4.28Å; L115-L140 HydrophobicContact CD1-CG 4.39Å; V116-L140 HydrophobicContact CG2-CD1 4.03Å; V116-L140 HydrophobicContact CG2-CD2 4.02Å; S136-L140 WeakPolarHBondContact O-CB 3.43Å; S136-L140 WeakPolarHBondContact O-CD1 3.35Å; S136-L140 WeakPolarHBondContact O-CG 3.45Å; S136-L140 PolarHBondContact O-N 2.74Å; M137-L140 PolarHBondContact O-N 2.92Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.45Å; L140-M143 PolarHBondContact O-N 3.29Å; L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 3.35Å; L140-V153 HydrophobicContact CD2-CG1 4.43Å; L140-V153 HydrophobicContact CD2-CG2 3.94Å; L140-L175 HydrophobicContact CB-CD2 4.37Å; L140-L175 HydrophobicContact CD1-CD1 3.96Å; L140-L175 HydrophobicContact CD1-CD2 3.9Å
141	H	94	Very high	91.7	Very high	37 Å²	37	58 Å²	58	17%	0.171	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177	-63.9	171.4	0	0	0	112	M137 I138 M143 A144 E145 E178	M137-H141 VanDerWaalsContact CE-CE1 3.43Å; M137-H141 WeakPolarHBondContact CE-CE1 3.41Å; M137-H141 PolarHBondContact O-N 2.98Å; I138-H141 PolarHBondContact O-N 2.92Å; H141-M143 VanDerWaalsContact C-N 3.27Å; H141-M143 PolarHBondContact O-N 3.3Å; H141-A144 PolarHBondContact O-N 3.05Å; H141-A144 VanDerWaalsContact O-N 3.1Å; H141-E145 PolarHBondContact O-N 3.09Å; H141-E178 WeakPolarHBondContact CE1-CB 3.29Å
142	E	93.9	Very high	92.7	Very high	120 Å²	120	58.6 Å²	58.6	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-58.5	-39	174	-72.5	177.8	174.7	0	0	111.6	I138 T139 E145	I138-E142 HydrophobicContact CG2-CG 4.46Å; I138-E142 WeakPolarHBondContact O-CG 3.44Å; I138-E142 PolarHBondContact O-N 3.01Å; T139-E142 PolarHBondContact O-N 2.76Å; E142-E145 PolarHBondContact O-N 2.74Å
143	M	93.8	Very high	93.5	Very high	57 Å²	57	50.6 Å²	50.6	28%	0.281	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-38.3	175.4	-71	-179.1	66.1	0	0	112.4	V112 L115 T139 L140 H141 E145 T146 G149 V153	V112-M143 HydrophobicContact CG2-CE 3.36Å; V112-M143 HydrophobicContact CG2-SD 4.19Å; L115-M143 HydrophobicContact CD1-SD 4.17Å; T139-M143 HydrophobicContact CG2-SD 4.43Å; T139-M143 VanDerWaalsContact O-CG 3.25Å; T139-M143 WeakPolarHBondContact O-CG 3.46Å; T139-M143 PolarHBondContact O-N 2.76Å; L140-M143 PolarHBondContact O-N 3.29Å; H141-M143 VanDerWaalsContact C-N 3.27Å; H141-M143 PolarHBondContact O-N 3.3Å; M143-E145 PolarHBondContact O-N 2.8Å; M143-T146 PolarHBondContact O-OG1 2.94Å; M143-G149 CarbonylContact O-C 3.58Å; M143-G149 WeakPolarHBondContact O-CA 3.31Å; M143-V153 HydrophobicContact CB-CG2 4.44Å
144	A	95.1	Very high	94.1	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-2.5	-178.9	0	0	0	0	0	114.3	L140 H141 T146 W150 V153 C179	L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 3.35Å; H141-A144 PolarHBondContact O-N 3.05Å; H141-A144 VanDerWaalsContact O-N 3.1Å; A144-T146 PolarHBondContact O-N 3.16Å; A144-W150 HydrophobicContact CB-CB 4.38Å; A144-V153 HydrophobicContact CB-CG2 4.49Å; A144-C179 HydrophobicContact CB-CB 4.34Å; A144-C179 WeakPolarHBondContact CB-SG 3.36Å
145	E	94.3	Very high	94.5	Very high	147 Å²	147	49.5 Å²	49.5	69%	0.687	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.5	171.9	-66.7	-172	174.9	0	0	113.6	H141 E142 M143	H141-E145 PolarHBondContact O-N 3.09Å; E142-E145 PolarHBondContact O-N 2.74Å; M143-E145 PolarHBondContact O-N 2.8Å
146	T	94.9	Very high	94.8	Very high	85 Å²	85	43 Å²	43	52%	0.521	22%	0.219	S	C	.	.	S	Bend	trans	-115.4	148.2	176.4	66.7	0	0	0	0	111	M143 A144 D148 G149 W150	M143-T146 PolarHBondContact O-OG1 2.94Å; A144-T146 PolarHBondContact O-N 3.16Å; T146-D148 VanDerWaalsContact C-N 3.33Å; T146-D148 PolarHBondContact O-N 2.77Å; T146-G149 PolarHBondContact O-N 3Å; T146-G149 PolarHBondContact OG1-N 2.69Å; T146-W150 WeakPolarHBondContact O-CB 3.38Å; T146-W150 PolarHBondContact O-N 2.84Å
147	D	94.4	Very high	95.1	Very high	53 Å²	53	42.7 Å²	42.7	28%	0.283	22%	0.217	S	C	.	.	H	α-helix	trans	-56.3	-44.5	179.6	-77.8	-8.2	0	0	0	113	L151 T183 A186	D147-L151 VanDerWaalsContact O-CG 3.28Å; D147-L151 WeakPolarHBondContact O-CG 3.48Å; D147-L151 PolarHBondContact O-N 3.41Å; D147-T183 VanDerWaalsContact CG-OG1 3.26Å; D147-T183 VanDerWaalsContact OD1-CG2 3.31Å; D147-T183 WeakPolarHBondContact OD1-CG2 3.35Å; D147-T183 PolarHBondContact OD1-OG1 2.85Å; D147-T183 WeakPolarHBondContact OD2-CG2 3.29Å; D147-T183 PolarHBondContact OD2-OG1 3.3Å; D147-A186 HydrophobicContact CB-CB 4.06Å
148	D	94.6	Very high	95.4	Very high	99 Å²	99	42.3 Å²	42.3	53%	0.529	22%	0.215	S	C	.	.	H	α-helix	trans	-70.5	-39.1	-179.4	-66.7	-27.1	0	0	0	111.3	T146 L151 E152 K189	T146-D148 VanDerWaalsContact C-N 3.33Å; T146-D148 PolarHBondContact O-N 2.77Å; D148-L151 PolarHBondContact O-N 3.44Å; D148-E152 PolarHBondContact O-N 3.5Å; D148-K189 IonicContact OD1-NZ 2.87Å; D148-K189 PolarHBondContact OD1-NZ 2.99Å
149	G	95.1	Very high	95.6	Very high	9 Å²	9	45.3 Å²	45.3	9%	0.093	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-38.4	175.2	0	0	0	0	0	112.8	M143 T146 L151 E152 V153	M143-G149 CarbonylContact O-C 3.58Å; M143-G149 WeakPolarHBondContact O-CA 3.31Å; T146-G149 PolarHBondContact O-N 3Å; T146-G149 PolarHBondContact OG1-N 2.69Å; G149-L151 VanDerWaalsContact C-N 3.34Å; G149-L151 PolarHBondContact O-N 2.97Å; G149-E152 PolarHBondContact O-N 2.99Å; G149-V153 WeakPolarHBondContact O-CG2 3.31Å; G149-V153 PolarHBondContact O-N 2.97Å
150	W	96.6	Very high	95.7	Very high	6 Å²	6	45.6 Å²	45.6	2%	0.023	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-43.9	172.4	179.8	93	0	0	0	111.4	A144 T146 E152 V153 V154 P182 A186 L187 L190 L221	A144-W150 HydrophobicContact CB-CB 4.38Å; T146-W150 WeakPolarHBondContact O-CB 3.38Å; T146-W150 PolarHBondContact O-N 2.84Å; W150-E152 VanDerWaalsContact C-N 3.35Å; W150-E152 PolarHBondContact O-N 2.92Å; W150-V153 PolarHBondContact O-N 3.19Å; W150-V154 HydrophobicContact CD2-CG2 3.89Å; W150-V154 HydrophobicContact CE3-CG2 4.08Å; W150-V154 HydrophobicContact CH2-CG2 3.9Å; W150-V154 HydrophobicContact CZ2-CG2 3.69Å; W150-V154 HydrophobicContact CZ3-CG2 4.08Å; W150-V154 WeakPolarHBondContact O-CG2 3.21Å; W150-V154 PolarHBondContact O-N 2.95Å; W150-P182 HydrophobicContact CD2-CB 4.12Å; W150-P182 HydrophobicContact CE3-CB 4.15Å; W150-P182 HydrophobicContact CH2-CB 3.7Å; W150-P182 HydrophobicContact CH2-CG 3.84Å; W150-P182 HydrophobicContact CZ2-CB 3.64Å; W150-P182 HydrophobicContact CZ2-CG 3.6Å; W150-P182 HydrophobicContact CZ3-CB 3.96Å; W150-A186 HydrophobicContact CE3-CB 4.32Å; W150-A186 HydrophobicContact CZ3-CB 4.42Å; W150-L187 HydrophobicContact CH2-CD2 4.35Å; W150-L190 HydrophobicContact CH2-CD2 3.74Å; W150-L190 HydrophobicContact CZ3-CB 4.39Å; W150-L190 HydrophobicContact CZ3-CD2 4.05Å; W150-L221 HydrophobicContact CH2-CD1 4.23Å; W150-L221 HydrophobicContact CH2-CD2 4.27Å; W150-L221 HydrophobicContact CZ2-CD1 4.45Å; W150-L221 HydrophobicContact CZ2-CD2 3.71Å
151	L	96.6	Very high	95.8	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-42.1	175.1	-74	168.4	0	0	0	112	D147 D148 G149 V154 Q155 K189 L190 M193	D147-L151 VanDerWaalsContact O-CG 3.28Å; D147-L151 WeakPolarHBondContact O-CG 3.48Å; D147-L151 PolarHBondContact O-N 3.41Å; D148-L151 PolarHBondContact O-N 3.44Å; G149-L151 VanDerWaalsContact C-N 3.34Å; G149-L151 PolarHBondContact O-N 2.97Å; L151-V154 PolarHBondContact O-N 3.29Å; L151-Q155 WeakPolarHBondContact O-CB 3.08Å; L151-Q155 VanDerWaalsContact O-CG 3.26Å; L151-Q155 WeakPolarHBondContact O-CG 3.48Å; L151-Q155 PolarHBondContact O-N 2.95Å; L151-K189 HydrophobicContact CD1-CB 3.79Å; L151-K189 HydrophobicContact CD1-CD 3.6Å; L151-K189 HydrophobicContact CD1-CG 4.38Å; L151-K189 HydrophobicContact CD2-CB 4.41Å; L151-L190 HydrophobicContact CD2-CB 3.8Å; L151-L190 HydrophobicContact CD2-CD1 4.4Å; L151-M193 HydrophobicContact CD2-CE 4.01Å
152	E	95.9	Very high	95.9	Very high	98 Å²	98	45.9 Å²	45.9	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-42.4	175.4	-72.8	-173.5	-176.8	0	0	112.1	V112 D148 G149 W150 S156	V112-E152 HydrophobicContact CG2-CB 4.28Å; D148-E152 PolarHBondContact O-N 3.5Å; G149-E152 PolarHBondContact O-N 2.99Å; W150-E152 VanDerWaalsContact C-N 3.35Å; W150-E152 PolarHBondContact O-N 2.92Å; E152-S156 WeakPolarHBondContact O-CB 3.26Å; E152-S156 PolarHBondContact O-N 2.89Å
153	V	96.7	Very high	95.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-51	176	173.5	0	0	0	0	110.4	V112 L140 M143 A144 G149 W150 Q155 S156 L157	V112-V153 HydrophobicContact CG1-CG2 4.12Å; L140-V153 HydrophobicContact CD2-CG1 4.43Å; L140-V153 HydrophobicContact CD2-CG2 3.94Å; M143-V153 HydrophobicContact CB-CG2 4.44Å; A144-V153 HydrophobicContact CB-CG2 4.49Å; G149-V153 WeakPolarHBondContact O-CG2 3.31Å; G149-V153 PolarHBondContact O-N 2.97Å; W150-V153 PolarHBondContact O-N 3.19Å; V153-Q155 PolarHBondContact O-N 3.4Å; V153-S156 WeakPolarHBondContact O-CB 3.22Å; V153-S156 PolarHBondContact O-N 3Å; V153-S156 VanDerWaalsContact O-N 3.13Å; V153-L157 HydrophobicContact CG1-CD1 4.22Å; V153-L157 HydrophobicContact CG1-CG 4.45Å; V153-L157 WeakPolarHBondContact O-CG 3.37Å; V153-L157 PolarHBondContact O-N 3.41Å
154	V	97.3	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-45.3	178.6	172.3	0	0	0	0	111.7	W150 L151 S156 L157 I158 L176 L190 V217	W150-V154 HydrophobicContact CD2-CG2 3.89Å; W150-V154 HydrophobicContact CE3-CG2 4.08Å; W150-V154 HydrophobicContact CH2-CG2 3.9Å; W150-V154 HydrophobicContact CZ2-CG2 3.69Å; W150-V154 HydrophobicContact CZ3-CG2 4.08Å; W150-V154 WeakPolarHBondContact O-CG2 3.21Å; W150-V154 PolarHBondContact O-N 2.95Å; L151-V154 PolarHBondContact O-N 3.29Å; V154-S156 VanDerWaalsContact C-N 3.31Å; V154-S156 PolarHBondContact O-N 3.48Å; V154-L157 PolarHBondContact O-N 2.84Å; V154-I158 HydrophobicContact CG1-CD1 4.16Å; V154-I158 WeakPolarHBondContact O-CG1 3.32Å; V154-I158 PolarHBondContact O-N 2.93Å; V154-L176 HydrophobicContact CG2-CD2 3.93Å; V154-L190 HydrophobicContact CG1-CD1 3.79Å; V154-L190 HydrophobicContact CG1-CD2 4.24Å; V154-V217 HydrophobicContact CG1-CG1 3.76Å
155	Q	96.8	Very high	95.6	Very high	69 Å²	69	48.6 Å²	48.6	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-39.6	176.3	-76.4	-178.8	-12.8	0	0	112.4	L151 V153 I158 R159 M193	L151-Q155 WeakPolarHBondContact O-CB 3.08Å; L151-Q155 VanDerWaalsContact O-CG 3.26Å; L151-Q155 WeakPolarHBondContact O-CG 3.48Å; L151-Q155 PolarHBondContact O-N 2.95Å; V153-Q155 PolarHBondContact O-N 3.4Å; Q155-I158 PolarHBondContact O-N 3.11Å; Q155-R159 VanDerWaalsContact O-CB 3.29Å; Q155-R159 WeakPolarHBondContact O-CB 3.33Å; Q155-R159 PolarHBondContact O-N 3.23Å; Q155-M193 HydrophobicContact CG-CE 3.48Å; Q155-M193 VanDerWaalsContact CG-CE 3.48Å; Q155-M193 PolarHBondContact NE2-SD 2.92Å
156	S	97.6	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-49.2	176.5	-178.5	0	0	0	0	110.7	V112 D113 V116 E152 V153 V154 I158 R159 V160	V112-S156 PolarHBondContact O-OG 2.83Å; D113-S156 VanDerWaalsContact CA-OG 3.28Å; D113-S156 WeakPolarHBondContact CA-OG 3.49Å; D113-S156 PolarHBondContact N-OG 3.1Å; D113-S156 PolarHBondContact OD1-OG 3.33Å; V116-S156 WeakPolarHBondContact CG2-OG 3.33Å; E152-S156 WeakPolarHBondContact O-CB 3.26Å; E152-S156 PolarHBondContact O-N 2.89Å; V153-S156 WeakPolarHBondContact O-CB 3.22Å; V153-S156 PolarHBondContact O-N 3Å; V153-S156 VanDerWaalsContact O-N 3.13Å; V154-S156 VanDerWaalsContact C-N 3.31Å; V154-S156 PolarHBondContact O-N 3.48Å; S156-I158 PolarHBondContact O-N 2.86Å; S156-R159 PolarHBondContact O-N 3Å; S156-V160 WeakPolarHBondContact O-CG2 3.3Å; S156-V160 PolarHBondContact O-N 3.17Å
157	L	97.7	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-52.4	-43.2	174.9	-68	173	0	0	0	111.9	V116 V153 V154 I161 I172 L175 L176 N213	V116-L157 HydrophobicContact CG1-CD2 3.88Å; V116-L157 HydrophobicContact CG2-CD2 4.09Å; V153-L157 HydrophobicContact CG1-CD1 4.22Å; V153-L157 HydrophobicContact CG1-CG 4.45Å; V153-L157 WeakPolarHBondContact O-CG 3.37Å; V153-L157 PolarHBondContact O-N 3.41Å; V154-L157 PolarHBondContact O-N 2.84Å; L157-I161 HydrophobicContact CB-CD1 4.37Å; L157-I161 HydrophobicContact CD2-CD1 3.68Å; L157-I172 HydrophobicContact CB-CG1 4.47Å; L157-I172 HydrophobicContact CD2-CG1 4.44Å; L157-L175 HydrophobicContact CD2-CB 4.45Å; L157-L175 HydrophobicContact CD2-CD1 3.67Å; L157-L176 HydrophobicContact CD1-CD1 4.38Å; L157-L176 HydrophobicContact CD1-CD2 3.83Å; L157-L176 HydrophobicContact CD1-CG 3.88Å; L157-N213 PolarHBondContact O-ND2 2.81Å
158	I	97.7	Very high	95.1	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-41.6	177.5	-68.8	173.6	0	0	0	111.9	V154 Q155 S156 L194 K210 N213 T214 V217	V154-I158 HydrophobicContact CG1-CD1 4.16Å; V154-I158 WeakPolarHBondContact O-CG1 3.32Å; V154-I158 PolarHBondContact O-N 2.93Å; Q155-I158 PolarHBondContact O-N 3.11Å; S156-I158 PolarHBondContact O-N 2.86Å; I158-L194 HydrophobicContact CD1-CD2 3.77Å; I158-K210 HydrophobicContact CG2-CG 3.73Å; I158-N213 PolarHBondContact O-ND2 2.68Å; I158-T214 WeakPolarHBondContact CG2-OG1 3.42Å; I158-V217 HydrophobicContact CD1-CG2 4.35Å; I158-V217 HydrophobicContact CG1-CB 4.45Å; I158-V217 HydrophobicContact CG1-CG2 3.86Å
159	R	96	Very high	95	Very high	130 Å²	130	33.2 Å²	33.2	49%	0.491	17%	0.17	S	C	.	.	H	α-helix	trans	-79.8	-41.6	-170.7	177.4	174.2	53.3	-106.2	2.5	113.8	D113 Q155 S156	D113-R159 VanDerWaalsContact CG-NH2 3.31Å; D113-R159 IonicContact OD1-CZ 3.63Å; D113-R159 IonicContact OD1-NE 3.44Å; D113-R159 IonicContact OD1-NH2 2.76Å; D113-R159 PolarHBondContact OD1-NH2 3.39Å; D113-R159 IonicContact OD2-CZ 2.62Å; D113-R159 IonicContact OD2-NE 2.93Å; D113-R159 PolarHBondContact OD2-NE 3.35Å; D113-R159 IonicContact OD2-NH2 3.72Å; D113-R159 PolarHBondContact OD2-NH2 3.31Å; Q155-R159 VanDerWaalsContact O-CB 3.29Å; Q155-R159 WeakPolarHBondContact O-CB 3.33Å; Q155-R159 PolarHBondContact O-N 3.23Å; S156-R159 PolarHBondContact O-N 3Å
160	V	96.7	Very high	94.9	Very high	25 Å²	25	33 Å²	33	15%	0.152	17%	0.168	C	C	.	.	H	α-helix	trans	-107.1	-20.1	-160.6	-49.3	0	0	0	0	114.9	D113 V116 L117 S156 P162	D113-V160 HydrophobicContact CB-CG1 3.72Å; D113-V160 VanDerWaalsContact CG-CG1 3.49Å; D113-V160 WeakPolarHBondContact OD2-CG1 3.5Å; V116-V160 HydrophobicContact CB-CG2 3.88Å; V116-V160 HydrophobicContact CG1-CG2 3.51Å; L117-V160 HydrophobicContact CD1-CB 4.44Å; L117-V160 HydrophobicContact CD2-CB 4.23Å; L117-V160 HydrophobicContact CD2-CG2 4.05Å; L117-V160 HydrophobicContact CG-CB 4.23Å; L117-V160 HydrophobicContact CG-CG2 3.95Å; S156-V160 WeakPolarHBondContact O-CG2 3.3Å; S156-V160 PolarHBondContact O-N 3.17Å; V160-P162 WeakPolarHBondContact O-CD 3.12Å
161	I	97.1	Very high	94.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.			trans	-70.8	119.3	-176.6	-69.1	176.2	0	0	0	109.3	V116 L157 V171 I172 N213	V116-I161 HydrophobicContact CG1-CD1 4.07Å; V116-I161 HydrophobicContact CG1-CG1 3.83Å; L157-I161 HydrophobicContact CB-CD1 4.37Å; L157-I161 HydrophobicContact CD2-CD1 3.68Å; I161-V171 HydrophobicContact CD1-CG1 4.41Å; I161-I172 HydrophobicContact CD1-CD1 4Å; I161-I172 HydrophobicContact CD1-CG1 3.33Å; I161-N213 PolarHBondContact O-ND2 3.22Å
162	P	96.1	Very high	94.6	Very high	42 Å²	42	32.2 Å²	32.2	27%	0.273	16%	0.164	S	C	.	.			trans	-75.9	153.5	-173.4	33.6	-37.6	0	0	0	111.4	L120 V160 D164 D165 R212	L120-P162 HydrophobicContact CD2-CG 4.04Å; V160-P162 WeakPolarHBondContact O-CD 3.12Å; P162-D164 WeakPolarHBondContact CB-OD1 3.37Å; P162-D165 HydrophobicContact CG-CB 3.82Å; P162-R212 PolarHBondContact O-NH2 3.37Å
163	L	93.5	Very high	94.4	Very high	51 Å²	51	28 Å²	28	27%	0.267	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.5	-175.5	-172.3	64.9	0	0	0	113.1	P208 A209 R212 T253	L163-P208 HydrophobicContact CD2-CB 3.94Å; L163-P208 HydrophobicContact CD2-CG 3.84Å; L163-A209 HydrophobicContact CB-CB 4.05Å; L163-R212 HydrophobicContact CD1-CB 4.21Å; L163-R212 HydrophobicContact CD1-CG 4.42Å; L163-T253 HydrophobicContact CD1-CG2 4.07Å
164	D	90.5	Very high	94.1	Very high	145 Å²	145	30.3 Å²	30.3	78%	0.775	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.2	-173.8	58.2	-49.1	0	0	0	114.1	P162 P166	P162-D164 WeakPolarHBondContact CB-OD1 3.37Å; D164-P166 WeakPolarHBondContact O-CD 3.29Å
165	D	91.8	Very high	93.8	Very high	40 Å²	40	30.3 Å²	30.3	21%	0.214	16%	0.157	C	C	.	.			trans	-82.7	118	174.3	-166.5	-61.4	0	0	0	111	L120 P162 L167 G168	L120-D165 HydrophobicContact CD2-CB 4.21Å; P162-D165 HydrophobicContact CG-CB 3.82Å; D165-L167 PolarHBondContact O-N 2.79Å; D165-L167 WeakPolarHBondContact OD1-CA 3.19Å; D165-L167 PolarHBondContact OD1-N 3.33Å; D165-G168 PolarHBondContact O-N 2.9Å; D165-G168 VanDerWaalsContact O-N 3.12Å; D165-G168 PolarHBondContact OD1-N 2.99Å
166	P	87.1	Confident	93.7	Very high	43 Å²	43	27.3 Å²	27.3	28%	0.279	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.9	-176.2	27.8	-35.3	0	0	0	113.8	D164	D164-P166 WeakPolarHBondContact O-CD 3.29Å
167	L	91.4	Very high	93.2	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-6.5	177.8	-55.4	-177.9	0	0	0	112.2	L120 I123 R124 D165 A170 V171 V384	L120-L167 HydrophobicContact CD1-CB 4.46Å; I123-L167 HydrophobicContact CG2-CB 3.94Å; I123-L167 HydrophobicContact CG2-CD1 3.63Å; I123-L167 HydrophobicContact CG2-CG 4.43Å; R124-L167 HydrophobicContact CB-CD1 3.92Å; R124-L167 HydrophobicContact CG-CD1 4.4Å; D165-L167 PolarHBondContact O-N 2.79Å; D165-L167 WeakPolarHBondContact OD1-CA 3.19Å; D165-L167 PolarHBondContact OD1-N 3.33Å; L167-A170 WeakPolarHBondContact O-CB 3.44Å; L167-A170 PolarHBondContact O-N 2.74Å; L167-V171 PolarHBondContact O-N 3.46Å; L167-V384 HydrophobicContact CD2-CG2 3.92Å
168	G	94.2	Very high	92.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-48.3	-53.5	180	0	0	0	0	0	113.8	D165 A170 V171 I172	D165-G168 PolarHBondContact O-N 2.9Å; D165-G168 VanDerWaalsContact O-N 3.12Å; D165-G168 PolarHBondContact OD1-N 2.99Å; G168-A170 VanDerWaalsContact C-N 3.35Å; G168-A170 PolarHBondContact O-N 3.49Å; G168-V171 PolarHBondContact O-N 2.83Å; G168-I172 PolarHBondContact O-N 3.03Å
169	P	93.8	Very high	92.3	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-35.9	178	-13	22.7	0	0	0	113.4	V171 I172 T173 R212 F257 Y483	P169-V171 VanDerWaalsContact C-N 3.27Å; P169-V171 PolarHBondContact O-N 3.41Å; P169-I172 WeakPolarHBondContact O-CB 3.25Å; P169-I172 PolarHBondContact O-N 2.78Å; P169-T173 PolarHBondContact O-N 2.97Å; P169-T173 VanDerWaalsContact O-N 3.17Å; P169-T173 PolarHBondContact O-OG1 2.9Å; P169-R212 VanDerWaalsContact CD-NH1 3.27Å; P169-R212 VanDerWaalsContact N-NH1 3.14Å; P169-F257 HydrophobicContact CB-CE1 3.49Å; P169-F257 VanDerWaalsContact CB-CE1 3.49Å; P169-F257 HydrophobicContact CB-CE2 4.15Å; P169-F257 HydrophobicContact CB-CZ 3.22Å; P169-F257 HydrophobicContact CG-CE1 4.14Å; P169-F257 HydrophobicContact CG-CE2 3.85Å; P169-F257 HydrophobicContact CG-CZ 3.36Å; P169-Y483 HydrophobicContact CB-CD2 3.73Å; P169-Y483 HydrophobicContact CB-CE2 3.9Å
170	A	91.1	Very high	92	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-33.8	177.1	0	0	0	0	0	111.8	L167 G168 T173 L174 M481	L167-A170 WeakPolarHBondContact O-CB 3.44Å; L167-A170 PolarHBondContact O-N 2.74Å; G168-A170 VanDerWaalsContact C-N 3.35Å; G168-A170 PolarHBondContact O-N 3.49Å; A170-T173 PolarHBondContact O-N 2.86Å; A170-L174 WeakPolarHBondContact O-CB 3.36Å; A170-L174 PolarHBondContact O-N 3.21Å; A170-M481 HydrophobicContact CB-CE 4.24Å; A170-M481 HydrophobicContact CB-SD 4.45Å
171	V	92.1	Very high	91.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-35.6	174	169.7	0	0	0	0	112.3	T119 L120 I123 I161 L167 G168 P169 L175	T119-V171 HydrophobicContact CG2-CG1 4.36Å; L120-V171 HydrophobicContact CD1-CB 4.18Å; L120-V171 HydrophobicContact CD1-CG2 3.61Å; I123-V171 HydrophobicContact CB-CG2 3.96Å; I123-V171 HydrophobicContact CD1-CG2 4.36Å; I123-V171 HydrophobicContact CG1-CG2 3.89Å; I123-V171 HydrophobicContact CG2-CG2 3.8Å; I161-V171 HydrophobicContact CD1-CG1 4.41Å; L167-V171 PolarHBondContact O-N 3.46Å; G168-V171 PolarHBondContact O-N 2.83Å; P169-V171 VanDerWaalsContact C-N 3.27Å; P169-V171 PolarHBondContact O-N 3.41Å; V171-L175 HydrophobicContact CG1-CD1 3.71Å; V171-L175 HydrophobicContact CG1-CG 4.33Å; V171-L175 WeakPolarHBondContact O-CB 3.35Å; V171-L175 WeakPolarHBondContact O-CG 3.43Å; V171-L175 PolarHBondContact O-N 3.31Å
172	I	95.4	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-51.2	171.9	-63.2	173.6	0	0	0	109.4	L157 I161 G168 P169 L176 N213 A216 V217	L157-I172 HydrophobicContact CB-CG1 4.47Å; L157-I172 HydrophobicContact CD2-CG1 4.44Å; I161-I172 HydrophobicContact CD1-CD1 4Å; I161-I172 HydrophobicContact CD1-CG1 3.33Å; G168-I172 PolarHBondContact O-N 3.03Å; P169-I172 WeakPolarHBondContact O-CB 3.25Å; P169-I172 PolarHBondContact O-N 2.78Å; I172-L176 HydrophobicContact CG2-CD1 3.91Å; I172-L176 WeakPolarHBondContact O-CB 3.07Å; I172-L176 WeakPolarHBondContact O-CG 3.25Å; I172-L176 PolarHBondContact O-N 2.81Å; I172-N213 HydrophobicContact CD1-CB 3.92Å; I172-A216 HydrophobicContact CD1-CB 3.79Å; I172-A216 HydrophobicContact CG2-CB 4.38Å; I172-V217 HydrophobicContact CG2-CG2 3.68Å
173	T	92.4	Very high	91.3	Very high	10 Å²	10	39.2 Å²	39.2	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-50.8	179.5	-53	0	0	0	0	111.1	P169 A170 L175 L176 D177 C220 Y483	P169-T173 PolarHBondContact O-N 2.97Å; P169-T173 VanDerWaalsContact O-N 3.17Å; P169-T173 PolarHBondContact O-OG1 2.9Å; A170-T173 PolarHBondContact O-N 2.86Å; T173-L175 PolarHBondContact O-N 3.29Å; T173-L176 CarbonylContact O-C 3.59Å; T173-L176 PolarHBondContact O-N 3.04Å; T173-D177 WeakPolarHBondContact O-CB 3.35Å; T173-D177 PolarHBondContact O-N 2.87Å; T173-C220 PolarHBondContact OG1-SG 3.29Å; T173-C220 VanDerWaalsContact OG1-SG 3.39Å; T173-Y483 WeakPolarHBondContact OG1-CE2 3.3Å; T173-Y483 PolarHBondContact OG1-OH 2.84Å
174	L	89.8	Confident	91.3	Very high	49 Å²	49	45 Å²	45	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-49.2	-178.1	-179.5	71.7	0	0	0	112.7	I123 M137 A170 L176 D177	I123-L174 HydrophobicContact CD1-CD2 3.2Å; I123-L174 HydrophobicContact CG1-CD2 4.34Å; M137-L174 HydrophobicContact CE-CD1 4.02Å; M137-L174 HydrophobicContact CE-CD2 3.86Å; M137-L174 HydrophobicContact CE-CG 3.7Å; M137-L174 HydrophobicContact SD-CD2 4.16Å; A170-L174 WeakPolarHBondContact O-CB 3.36Å; A170-L174 PolarHBondContact O-N 3.21Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-L176 PolarHBondContact O-N 3.22Å; L174-D177 PolarHBondContact O-N 3.2Å; L174-D177 VanDerWaalsContact O-N 3.17Å
175	L	91.8	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-37.2	-178	-76	171.1	0	0	0	111.4	T119 M137 L140 L157 V171 T173 D177 C179	T119-L175 HydrophobicContact CG2-CD1 4.27Å; T119-L175 HydrophobicContact CG2-CD2 4.26Å; T119-L175 HydrophobicContact CG2-CG 4.44Å; M137-L175 HydrophobicContact CB-CD2 4.44Å; M137-L175 HydrophobicContact CG-CD2 3.91Å; L140-L175 HydrophobicContact CB-CD2 4.37Å; L140-L175 HydrophobicContact CD1-CD1 3.96Å; L140-L175 HydrophobicContact CD1-CD2 3.9Å; L157-L175 HydrophobicContact CD2-CB 4.45Å; L157-L175 HydrophobicContact CD2-CD1 3.67Å; V171-L175 HydrophobicContact CG1-CD1 3.71Å; V171-L175 HydrophobicContact CG1-CG 4.33Å; V171-L175 WeakPolarHBondContact O-CB 3.35Å; V171-L175 WeakPolarHBondContact O-CG 3.43Å; V171-L175 PolarHBondContact O-N 3.31Å; T173-L175 PolarHBondContact O-N 3.29Å; L175-D177 VanDerWaalsContact C-N 3.31Å; L175-C179 PolarHBondContact O-SG 3.13Å
176	L	93.3	Very high	91.6	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-75.2	-21.9	174.6	-65.8	-178.5	0	0	0	112.5	V154 L157 I172 T173 L174 C179 V217 C220 K224	V154-L176 HydrophobicContact CG2-CD2 3.93Å; L157-L176 HydrophobicContact CD1-CD1 4.38Å; L157-L176 HydrophobicContact CD1-CD2 3.83Å; L157-L176 HydrophobicContact CD1-CG 3.88Å; I172-L176 HydrophobicContact CG2-CD1 3.91Å; I172-L176 WeakPolarHBondContact O-CB 3.07Å; I172-L176 WeakPolarHBondContact O-CG 3.25Å; I172-L176 PolarHBondContact O-N 2.81Å; T173-L176 CarbonylContact O-C 3.59Å; T173-L176 PolarHBondContact O-N 3.04Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-L176 PolarHBondContact O-N 3.22Å; L176-C179 PolarHBondContact O-N 3.08Å; L176-V217 HydrophobicContact CD1-CB 4.47Å; L176-V217 HydrophobicContact CD1-CG1 4.3Å; L176-V217 HydrophobicContact CD1-CG2 4.19Å; L176-C220 HydrophobicContact CB-CB 4.41Å; L176-C220 HydrophobicContact CD1-CB 3.8Å; L176-K224 WeakPolarHBondContact O-CE 3.42Å; L176-K224 PolarHBondContact O-NZ 3.12Å
177	D	88.6	Confident	92	Very high	70 Å²	70	40 Å²	40	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-38.9	-176.4	-151.4	25.7	0	0	0	112.4	T173 L174 L175 K224	T173-D177 WeakPolarHBondContact O-CB 3.35Å; T173-D177 PolarHBondContact O-N 2.87Å; L174-D177 PolarHBondContact O-N 3.2Å; L174-D177 VanDerWaalsContact O-N 3.17Å; L175-D177 VanDerWaalsContact C-N 3.31Å; D177-K224 PolarHBondContact O-NZ 3.13Å; D177-K224 WeakPolarHBondContact OD1-CE 3.42Å; D177-K224 IonicContact OD1-NZ 3.43Å; D177-K224 PolarHBondContact OD1-NZ 3.13Å
178	E	84.8	Confident	92.1	Very high	122 Å²	122	44.6 Å²	44.6	57%	0.57	23%	0.232	S	C	*	.	S	Bend	trans	-93.3	-6.3	-178.9	-62.4	-60.3	133.2	0	0	113.3	M137 H141	M137-E178 HydrophobicContact CE-CG 4.48Å; H141-E178 WeakPolarHBondContact CE1-CB 3.29Å
179	C	89.9	Confident	92.2	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.068	25%	0.25	C	C	.	.	S	Bend	trans	-72.2	146.6	174.9	-78	0	0	0	0	111.7	A144 L175 L176	A144-C179 HydrophobicContact CB-CB 4.34Å; A144-C179 WeakPolarHBondContact CB-SG 3.36Å; L175-C179 PolarHBondContact O-SG 3.13Å; L176-C179 PolarHBondContact O-N 3.08Å
180	P	90	Very high	92.3	Very high	64 Å²	64	48.2 Å²	48.2	42%	0.416	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-54.4	148.3	167.6	-23.8	34.1	0	0	0	111.9
181	L	90.1	Very high	92.5	Very high	111 Å²	111	49.2 Å²	49.2	58%	0.581	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-64.5	132.5	173.1	-67.9	177.4	0	0	0	109.7	K224	L181-K224 HydrophobicContact CD2-CB 3.9Å; L181-K224 HydrophobicContact CD2-CD 4.41Å
182	P	92.5	Very high	92.6	Very high	18 Å²	18	53.6 Å²	53.6	12%	0.117	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-67.9	148.2	-177.7	28.7	-36.1	0	0	0	111.4	W150 A186 L187	W150-P182 HydrophobicContact CD2-CB 4.12Å; W150-P182 HydrophobicContact CE3-CB 4.15Å; W150-P182 HydrophobicContact CH2-CB 3.7Å; W150-P182 HydrophobicContact CH2-CG 3.84Å; W150-P182 HydrophobicContact CZ2-CB 3.64Å; W150-P182 HydrophobicContact CZ2-CG 3.6Å; W150-P182 HydrophobicContact CZ3-CB 3.96Å; P182-A186 HydrophobicContact CB-CB 4.05Å; P182-L187 HydrophobicContact CB-CD2 4.16Å; P182-L187 HydrophobicContact CB-CG 4.07Å; P182-L187 HydrophobicContact CG-CD1 4.25Å; P182-L187 HydrophobicContact CG-CD2 3.56Å; P182-L187 HydrophobicContact CG-CG 3.78Å
183	T	93.5	Very high	92.6	Very high	61 Å²	61	57.4 Å²	57.4	37%	0.374	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-68.1	164.4	170.4	69.6	0	0	0	0	111.1	D147 D185 A186 L187	D147-T183 VanDerWaalsContact CG-OG1 3.26Å; D147-T183 VanDerWaalsContact OD1-CG2 3.31Å; D147-T183 WeakPolarHBondContact OD1-CG2 3.35Å; D147-T183 PolarHBondContact OD1-OG1 2.85Å; D147-T183 WeakPolarHBondContact OD2-CG2 3.29Å; D147-T183 PolarHBondContact OD2-OG1 3.3Å; T183-D185 PolarHBondContact O-N 3.2Å; T183-D185 PolarHBondContact OG1-N 2.8Å; T183-A186 PolarHBondContact O-N 3.5Å; T183-A186 PolarHBondContact OG1-N 3.12Å; T183-A186 VanDerWaalsContact OG1-N 3.09Å; T183-L187 WeakPolarHBondContact O-CG 3.29Å; T183-L187 PolarHBondContact O-N 3.27Å
184	K	92.8	Very high	92.7	Very high	172 Å²	172	58.5 Å²	58.5	75%	0.748	30%	0.3	S	S	*	.	H	α-helix	trans	-56.2	-39	172.4	-176	-177.5	175.1	-175.3	0	111.9	L187 Q188	K184-L187 PolarHBondContact O-N 2.9Å; K184-Q188 PolarHBondContact O-N 2.84Å
185	D	94	Very high	93	Very high	113 Å²	113	60 Å²	60	60%	0.604	32%	0.315	S	S	*	.	H	α-helix	trans	-70.5	-39.7	-179.2	-67.4	-15.2	0	0	0	111.2	T183 Q188 K189	T183-D185 PolarHBondContact O-N 3.2Å; T183-D185 PolarHBondContact OG1-N 2.8Å; D185-Q188 PolarHBondContact O-N 3.18Å; D185-K189 WeakPolarHBondContact O-CB 3.08Å; D185-K189 WeakPolarHBondContact O-CG 3.12Å; D185-K189 PolarHBondContact O-N 2.83Å
186	A	95.1	Very high	93.3	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-43.1	172.3	0	0	0	0	0	111.8	D147 W150 P182 T183 Q188 K189 L190	D147-A186 HydrophobicContact CB-CB 4.06Å; W150-A186 HydrophobicContact CE3-CB 4.32Å; W150-A186 HydrophobicContact CZ3-CB 4.42Å; P182-A186 HydrophobicContact CB-CB 4.05Å; T183-A186 PolarHBondContact O-N 3.5Å; T183-A186 PolarHBondContact OG1-N 3.12Å; T183-A186 VanDerWaalsContact OG1-N 3.09Å; A186-Q188 PolarHBondContact O-N 3.44Å; A186-K189 PolarHBondContact O-N 2.92Å; A186-L190 WeakPolarHBondContact O-CB 3.16Å; A186-L190 PolarHBondContact O-N 3.35Å
187	L	95.1	Very high	93.5	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-38.8	175.7	-72.3	174.7	0	0	0	112.8	W150 P182 T183 K184 L190 S191 L225 A229 L233	W150-L187 HydrophobicContact CH2-CD2 4.35Å; P182-L187 HydrophobicContact CB-CD2 4.16Å; P182-L187 HydrophobicContact CB-CG 4.07Å; P182-L187 HydrophobicContact CG-CD1 4.25Å; P182-L187 HydrophobicContact CG-CD2 3.56Å; P182-L187 HydrophobicContact CG-CG 3.78Å; T183-L187 WeakPolarHBondContact O-CG 3.29Å; T183-L187 PolarHBondContact O-N 3.27Å; K184-L187 PolarHBondContact O-N 2.9Å; L187-L190 PolarHBondContact O-N 3.36Å; L187-S191 WeakPolarHBondContact O-CB 3.23Å; L187-S191 PolarHBondContact O-N 3.32Å; L187-S191 PolarHBondContact O-OG 2.68Å; L187-L225 HydrophobicContact CD1-CD1 3.76Å; L187-L225 HydrophobicContact CD1-CD2 4.3Å; L187-L225 HydrophobicContact CD2-CD1 3.9Å; L187-A229 HydrophobicContact CD1-CB 3.98Å; L187-L233 HydrophobicContact CD2-CD1 4.45Å
188	Q	94.4	Very high	93.8	Very high	101 Å²	101	60.4 Å²	60.4	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-48.4	175.4	-173	62.2	57.8	0	0	110.8	K184 D185 A186 L190 S191 D192	K184-Q188 PolarHBondContact O-N 2.84Å; D185-Q188 PolarHBondContact O-N 3.18Å; A186-Q188 PolarHBondContact O-N 3.44Å; Q188-L190 VanDerWaalsContact C-N 3.28Å; Q188-L190 PolarHBondContact O-N 3.4Å; Q188-S191 WeakPolarHBondContact O-CB 3.45Å; Q188-S191 PolarHBondContact O-N 3.21Å; Q188-S191 VanDerWaalsContact O-N 3.12Å; Q188-D192 PolarHBondContact NE2-OD1 2.94Å; Q188-D192 PolarHBondContact O-N 3.32Å
189	K	96.1	Very high	94.4	Very high	88 Å²	88	58.9 Å²	58.9	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-55.9	-43.8	174.6	-74.7	174.3	176.7	178.5	0	111.4	D148 L151 D185 A186 D192 M193	D148-K189 IonicContact OD1-NZ 2.87Å; D148-K189 PolarHBondContact OD1-NZ 2.99Å; L151-K189 HydrophobicContact CD1-CB 3.79Å; L151-K189 HydrophobicContact CD1-CD 3.6Å; L151-K189 HydrophobicContact CD1-CG 4.38Å; L151-K189 HydrophobicContact CD2-CB 4.41Å; D185-K189 WeakPolarHBondContact O-CB 3.08Å; D185-K189 WeakPolarHBondContact O-CG 3.12Å; D185-K189 PolarHBondContact O-N 2.83Å; A186-K189 PolarHBondContact O-N 2.92Å; K189-D192 PolarHBondContact O-N 2.87Å; K189-M193 WeakPolarHBondContact O-CB 3.38Å; K189-M193 WeakPolarHBondContact O-CG 3.31Å; K189-M193 PolarHBondContact O-N 3.17Å
190	L	95.8	Very high	94.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-47.5	176.5	179.3	62.8	0	0	0	111.4	W150 L151 V154 A186 L187 Q188 D192 M193 L194 L221	W150-L190 HydrophobicContact CH2-CD2 3.74Å; W150-L190 HydrophobicContact CZ3-CB 4.39Å; W150-L190 HydrophobicContact CZ3-CD2 4.05Å; L151-L190 HydrophobicContact CD2-CB 3.8Å; L151-L190 HydrophobicContact CD2-CD1 4.4Å; V154-L190 HydrophobicContact CG1-CD1 3.79Å; V154-L190 HydrophobicContact CG1-CD2 4.24Å; A186-L190 WeakPolarHBondContact O-CB 3.16Å; A186-L190 PolarHBondContact O-N 3.35Å; L187-L190 PolarHBondContact O-N 3.36Å; Q188-L190 VanDerWaalsContact C-N 3.28Å; Q188-L190 PolarHBondContact O-N 3.4Å; L190-D192 VanDerWaalsContact C-N 3.33Å; L190-D192 PolarHBondContact O-N 2.81Å; L190-M193 HydrophobicContact CD1-CE 4.03Å; L190-M193 PolarHBondContact O-N 3.06Å; L190-L194 HydrophobicContact CD1-CD1 3.91Å; L190-L194 HydrophobicContact CD1-CD2 4.48Å; L190-L194 HydrophobicContact CD1-CG 3.97Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 VanDerWaalsContact O-CG 3.3Å; L190-L194 WeakPolarHBondContact O-CG 3.43Å; L190-L194 PolarHBondContact O-N 3.37Å; L190-L221 HydrophobicContact CD2-CD1 3.73Å
191	S	95.1	Very high	94.9	Very high	26 Å²	26	57.2 Å²	57.2	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-44.6	179	-58.6	0	0	0	0	111.5	L187 Q188 L194 S195	L187-S191 WeakPolarHBondContact O-CB 3.23Å; L187-S191 PolarHBondContact O-N 3.32Å; L187-S191 PolarHBondContact O-OG 2.68Å; Q188-S191 WeakPolarHBondContact O-CB 3.45Å; Q188-S191 PolarHBondContact O-N 3.21Å; Q188-S191 VanDerWaalsContact O-N 3.12Å; S191-L194 PolarHBondContact O-N 3.19Å; S191-S195 PolarHBondContact O-N 3.25Å
192	D	95.1	Very high	95.1	Very high	93 Å²	93	57.7 Å²	57.7	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-42.8	178	-62.4	-16.2	0	0	0	111.3	Q188 K189 L190 S195	Q188-D192 PolarHBondContact NE2-OD1 2.94Å; Q188-D192 PolarHBondContact O-N 3.32Å; K189-D192 PolarHBondContact O-N 2.87Å; L190-D192 VanDerWaalsContact C-N 3.33Å; L190-D192 PolarHBondContact O-N 2.81Å; D192-S195 PolarHBondContact O-N 2.82Å; D192-S195 PolarHBondContact O-OG 3.15Å
193	M	94.3	Very high	95	Very high	79 Å²	79	61.2 Å²	61.2	39%	0.389	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-39.5	177.6	-75	178.6	-6.6	0	0	113.1	L151 Q155 K189 L190	L151-M193 HydrophobicContact CD2-CE 4.01Å; Q155-M193 HydrophobicContact CG-CE 3.48Å; Q155-M193 VanDerWaalsContact CG-CE 3.48Å; Q155-M193 PolarHBondContact NE2-SD 2.92Å; K189-M193 WeakPolarHBondContact O-CB 3.38Å; K189-M193 WeakPolarHBondContact O-CG 3.31Å; K189-M193 PolarHBondContact O-N 3.17Å; L190-M193 HydrophobicContact CD1-CE 4.03Å; L190-M193 PolarHBondContact O-N 3.06Å
194	L	94.8	Very high	94.8	Very high	33 Å²	33	58.7 Å²	58.7	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-74.6	-34.2	179.1	-65.8	177.9	0	0	0	111.4	I158 L190 S191 L196 T214	I158-L194 HydrophobicContact CD1-CD2 3.77Å; L190-L194 HydrophobicContact CD1-CD1 3.91Å; L190-L194 HydrophobicContact CD1-CD2 4.48Å; L190-L194 HydrophobicContact CD1-CG 3.97Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 VanDerWaalsContact O-CG 3.3Å; L190-L194 WeakPolarHBondContact O-CG 3.43Å; L190-L194 PolarHBondContact O-N 3.37Å; S191-L194 PolarHBondContact O-N 3.19Å; L194-L196 HydrophobicContact CB-CD1 4.31Å; L194-L196 HydrophobicContact CB-CD2 3.88Å; L194-L196 HydrophobicContact CB-CG 3.72Å; L194-L196 HydrophobicContact CD1-CD1 4.26Å; L194-L196 PolarHBondContact O-N 2.85Å; L194-L196 VanDerWaalsContact O-N 3.16Å; L194-T214 HydrophobicContact CD1-CG2 4.45Å; L194-T214 HydrophobicContact CD2-CG2 4.42Å
195	S	95.8	Very high	94.3	Very high	82 Å²	82	54.6 Å²	54.6	57%	0.573	31%	0.308	S	S	*	.			trans	45.9	46.4	178	-76.8	0	0	0	0	112.4	S191 D192	S191-S195 PolarHBondContact O-N 3.25Å; D192-S195 PolarHBondContact O-N 2.82Å; D192-S195 PolarHBondContact O-OG 3.15Å
196	L	97.6	Very high	94.2	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.11	32%	0.316	C	S	.	.			trans	-68.1	140.8	-171.1	-60.2	179.8	0	0	0	112	L194 T214 L218 G237 T238 Y241	L194-L196 HydrophobicContact CB-CD1 4.31Å; L194-L196 HydrophobicContact CB-CD2 3.88Å; L194-L196 HydrophobicContact CB-CG 3.72Å; L194-L196 HydrophobicContact CD1-CD1 4.26Å; L194-L196 PolarHBondContact O-N 2.85Å; L194-L196 VanDerWaalsContact O-N 3.16Å; L196-T214 HydrophobicContact CD1-CG2 4.38Å; L196-T214 HydrophobicContact CD2-CG2 4.08Å; L196-L218 HydrophobicContact CD1-CD1 3.75Å; L196-G237 CarbonylContact C-O 3.51Å; L196-G237 CarbonylContact O-C 3.5Å; L196-G237 VanDerWaalsContact O-CA 3.25Å; L196-G237 WeakPolarHBondContact O-CA 3.17Å; L196-T238 HydrophobicContact CD1-CG2 4.25Å; L196-Y241 HydrophobicContact CB-CD2 4.33Å; L196-Y241 HydrophobicContact CB-CG 4.01Å; L196-Y241 HydrophobicContact CD1-CD1 4.06Å; L196-Y241 HydrophobicContact CD1-CG 4.3Å; L196-Y241 HydrophobicContact CD2-CD1 4.25Å; L196-Y241 HydrophobicContact CD2-CD2 3.9Å; L196-Y241 HydrophobicContact CD2-CE1 4.33Å; L196-Y241 HydrophobicContact CD2-CE2 3.99Å; L196-Y241 HydrophobicContact CD2-CG 4.05Å; L196-Y241 HydrophobicContact CG-CG 4.34Å
197	S	97.5	Very high	94.1	Very high	34 Å²	34	59.7 Å²	59.7	24%	0.238	33%	0.334	C	S	.	.			trans	-161.6	170.3	176.1	58.7	0	0	0	0	110.2	T199 V200 A201	S197-T199 VanDerWaalsContact C-N 3.27Å; S197-T199 PolarHBondContact O-N 3.18Å; S197-V200 PolarHBondContact O-N 3.25Å; S197-V200 VanDerWaalsContact O-N 3.14Å; S197-V200 WeakPolarHBondContact OG-CG2 3.41Å; S197-V200 PolarHBondContact OG-N 3.14Å; S197-A201 PolarHBondContact O-N 2.83Å
198	A	96.6	Very high	94.2	Very high	27 Å²	27	60.6 Å²	60.6	22%	0.223	34%	0.34	C	S	.	.	H	α-helix	trans	-55.5	-41	171.6	0	0	0	0	0	112.5	V200 A201 Q202 E240 E244	A198-V200 VanDerWaalsContact C-N 3.28Å; A198-V200 PolarHBondContact O-N 2.7Å; A198-A201 WeakPolarHBondContact O-CB 3.46Å; A198-A201 PolarHBondContact O-N 2.72Å; A198-A201 VanDerWaalsContact O-N 3.1Å; A198-Q202 WeakPolarHBondContact O-CG 2.98Å; A198-Q202 PolarHBondContact O-N 3.38Å; A198-E240 HydrophobicContact CB-CB 4.45Å; A198-E244 HydrophobicContact CB-CB 4.12Å; A198-E244 HydrophobicContact CB-CG 4.14Å
199	T	95.7	Very high	94.3	Very high	90 Å²	90	56.6 Å²	56.6	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-61.6	-36.2	177.7	-51.4	0	0	0	0	112.5	S197 Q203	S197-T199 VanDerWaalsContact C-N 3.27Å; S197-T199 PolarHBondContact O-N 3.18Å; T199-Q203 PolarHBondContact O-NE2 3.19Å
200	V	95.9	Very high	94.3	Very high	39 Å²	39	57.3 Å²	57.3	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-69.6	-44	174.5	175.4	0	0	0	0	109.6	S197 A198 Q202 Q203 H211 Y241	S197-V200 PolarHBondContact O-N 3.25Å; S197-V200 VanDerWaalsContact O-N 3.14Å; S197-V200 WeakPolarHBondContact OG-CG2 3.41Å; S197-V200 PolarHBondContact OG-N 3.14Å; A198-V200 VanDerWaalsContact C-N 3.28Å; A198-V200 PolarHBondContact O-N 2.7Å; V200-Q202 VanDerWaalsContact C-N 3.27Å; V200-Q202 PolarHBondContact O-N 3.4Å; V200-Q203 WeakPolarHBondContact O-CB 3.38Å; V200-Q203 PolarHBondContact O-N 3.46Å; V200-H211 PolarHBondContact O-CE1 2.92Å; V200-Y241 HydrophobicContact CB-CD2 4.28Å; V200-Y241 HydrophobicContact CG1-CD2 4.19Å; V200-Y241 HydrophobicContact CG1-CE2 3.98Å
201	A	95.7	Very high	94.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-38.4	179.2	0	0	0	0	0	113	S197 A198 Q203 D204 Y241 E244	S197-A201 PolarHBondContact O-N 2.83Å; A198-A201 WeakPolarHBondContact O-CB 3.46Å; A198-A201 PolarHBondContact O-N 2.72Å; A198-A201 VanDerWaalsContact O-N 3.1Å; A201-Q203 PolarHBondContact O-N 3.22Å; A201-Q203 VanDerWaalsContact O-N 3.09Å; A201-D204 WeakPolarHBondContact O-CB 3.36Å; A201-D204 PolarHBondContact O-N 3.22Å; A201-D204 VanDerWaalsContact O-N 3.09Å; A201-Y241 HydrophobicContact CB-CD2 3.6Å; A201-Y241 HydrophobicContact CB-CE2 3.95Å; A201-Y241 HydrophobicContact CB-CG 4.25Å; A201-Y241 WeakPolarHBondContact CB-O 3.36Å; A201-E244 HydrophobicContact CB-CB 3.83Å; A201-E244 HydrophobicContact CB-CG 3.97Å
202	Q	93.4	Very high	94.5	Very high	120 Å²	120	56.7 Å²	56.7	56%	0.561	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.1	177.9	-69.7	171.5	-9.5	0	0	114.4	A198 V200 D204 E244	A198-Q202 WeakPolarHBondContact O-CG 2.98Å; A198-Q202 PolarHBondContact O-N 3.38Å; V200-Q202 VanDerWaalsContact C-N 3.27Å; V200-Q202 PolarHBondContact O-N 3.4Å; Q202-D204 VanDerWaalsContact C-N 3.31Å; Q202-E244 HydrophobicContact CG-CG 3.98Å; Q202-E244 PolarHBondContact NE2-OE1 2.94Å
203	Q	91.6	Very high	94.7	Very high	92 Å²	92	52.3 Å²	52.3	43%	0.43	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.8	175.3	-61.1	173.1	18	0	0	112.4	T199 V200 A201 A205 L206	T199-Q203 PolarHBondContact O-NE2 3.19Å; V200-Q203 WeakPolarHBondContact O-CB 3.38Å; V200-Q203 PolarHBondContact O-N 3.46Å; A201-Q203 PolarHBondContact O-N 3.22Å; A201-Q203 VanDerWaalsContact O-N 3.09Å; Q203-A205 PolarHBondContact O-N 3.17Å; Q203-L206 HydrophobicContact CB-CD1 4.21Å; Q203-L206 VanDerWaalsContact O-CB 3.29Å; Q203-L206 WeakPolarHBondContact O-CB 3.25Å; Q203-L206 PolarHBondContact O-N 3.41Å
204	D	88.1	Confident	94.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.043	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58.1	-35.2	-176.1	77.3	-36.9	0	0	0	113.3	A201 Q202 L206 N207 P208 H211 S250 H251	A201-D204 WeakPolarHBondContact O-CB 3.36Å; A201-D204 PolarHBondContact O-N 3.22Å; A201-D204 VanDerWaalsContact O-N 3.09Å; Q202-D204 VanDerWaalsContact C-N 3.31Å; D204-L206 PolarHBondContact O-N 3.23Å; D204-L206 VanDerWaalsContact O-N 3.08Å; D204-N207 CarbonylContact O-C 3.49Å; D204-N207 VanDerWaalsContact O-C 3.22Å; D204-N207 PolarHBondContact O-N 2.87Å; D204-P208 WeakPolarHBondContact O-CA 3.49Å; D204-P208 WeakPolarHBondContact O-CD 3.34Å; D204-H211 HydrophobicContact CB-CB 4.07Å; D204-S250 VanDerWaalsContact OD2-CA 3.24Å; D204-S250 WeakPolarHBondContact OD2-CA 3.33Å; D204-S250 WeakPolarHBondContact OD2-CB 3.37Å; D204-H251 PolarHBondContact OD2-N 2.96Å
205	A	83.6	Confident	95.1	Very high	87 Å²	87	47.2 Å²	47.2	72%	0.719	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-56.1	-25.5	174.5	0	0	0	0	0	113.4	Q203	Q203-A205 PolarHBondContact O-N 3.17Å
206	L	90.4	Very high	95.2	Very high	147 Å²	147	43.4 Å²	43.4	77%	0.77	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-77.5	-33.8	176.9	-59.2	176.4	0	0	0	112.5	Q203 D204	Q203-L206 HydrophobicContact CB-CD1 4.21Å; Q203-L206 VanDerWaalsContact O-CB 3.29Å; Q203-L206 WeakPolarHBondContact O-CB 3.25Å; Q203-L206 PolarHBondContact O-N 3.41Å; D204-L206 PolarHBondContact O-N 3.23Å; D204-L206 VanDerWaalsContact O-N 3.08Å
207	N	94.2	Very high	95.2	Very high	73 Å²	73	42.4 Å²	42.4	39%	0.39	24%	0.242	S	C	.	.			trans	-154.1	74.2	-178.4	-168.5	-19.7	0	0	0	112.3	D204 A209 K210 H211	D204-N207 CarbonylContact O-C 3.49Å; D204-N207 VanDerWaalsContact O-C 3.22Å; D204-N207 PolarHBondContact O-N 2.87Å; N207-A209 PolarHBondContact O-N 3.04Å; N207-A209 VanDerWaalsContact O-N 3.15Å; N207-K210 HydrophobicContact CB-CB 4.18Å; N207-K210 PolarHBondContact O-N 2.79Å; N207-K210 VanDerWaalsContact O-N 3.16Å; N207-K210 PolarHBondContact OD1-N 3.25Å; N207-H211 PolarHBondContact O-CD2 3.36Å; N207-H211 VanDerWaalsContact O-CD2 3.25Å; N207-H211 PolarHBondContact O-N 2.64Å
208	P	96	Very high	95.2	Very high	30 Å²	30	40.9 Å²	40.9	20%	0.195	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-27.6	-175.7	22	-32.6	0	0	0	113	L163 D204 H211 R212 H251 V254	L163-P208 HydrophobicContact CD2-CB 3.94Å; L163-P208 HydrophobicContact CD2-CG 3.84Å; D204-P208 WeakPolarHBondContact O-CA 3.49Å; D204-P208 WeakPolarHBondContact O-CD 3.34Å; P208-H211 PolarHBondContact O-N 3.22Å; P208-R212 VanDerWaalsContact O-CB 3.31Å; P208-R212 WeakPolarHBondContact O-CB 3.26Å; P208-R212 PolarHBondContact O-N 3.39Å; P208-H251 HydrophobicContact CB-CB 3.9Å; P208-V254 HydrophobicContact CB-CG2 4.3Å; P208-V254 WeakPolarHBondContact O-CG2 3.49Å
209	A	96.9	Very high	95.2	Very high	18 Å²	18	39.7 Å²	39.7	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-52	175.1	0	0	0	0	0	111.4	L163 N207 H211 R212 N213	L163-A209 HydrophobicContact CB-CB 4.05Å; N207-A209 PolarHBondContact O-N 3.04Å; N207-A209 VanDerWaalsContact O-N 3.15Å; A209-H211 VanDerWaalsContact C-N 3.3Å; A209-H211 PolarHBondContact O-N 3.27Å; A209-R212 PolarHBondContact O-N 2.91Å; A209-N213 WeakPolarHBondContact O-CB 3.39Å; A209-N213 PolarHBondContact O-N 2.86Å; A209-N213 PolarHBondContact O-ND2 3.33Å; A209-N213 VanDerWaalsContact O-ND2 3.17Å; A209-N213 PolarHBondContact O-OD1 2.75Å
210	K	97.1	Very high	95.3	Very high	103 Å²	103	35.7 Å²	35.7	45%	0.448	20%	0.197	S	C	.	.	H	α-helix	trans	-58.2	-44.5	178.8	-175.1	-172.5	176.1	-169.7	0	111.4	I158 N207 N213 T214	I158-K210 HydrophobicContact CG2-CG 3.73Å; N207-K210 HydrophobicContact CB-CB 4.18Å; N207-K210 PolarHBondContact O-N 2.79Å; N207-K210 VanDerWaalsContact O-N 3.16Å; N207-K210 PolarHBondContact OD1-N 3.25Å; K210-N213 PolarHBondContact O-N 3.4Å; K210-T214 WeakPolarHBondContact O-CB 3.35Å; K210-T214 PolarHBondContact O-N 3.17Å; K210-T214 PolarHBondContact O-OG1 3.1Å
211	H	97.9	Very high	95.3	Very high	13 Å²	13	34 Å²	34	6%	0.06	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-44.7	-179.7	-77.8	-94.5	0	0	0	112.2	V200 D204 N207 P208 A209 N213 T214 T215 Y241 V254	V200-H211 PolarHBondContact O-CE1 2.92Å; D204-H211 HydrophobicContact CB-CB 4.07Å; N207-H211 PolarHBondContact O-CD2 3.36Å; N207-H211 VanDerWaalsContact O-CD2 3.25Å; N207-H211 PolarHBondContact O-N 2.64Å; P208-H211 PolarHBondContact O-N 3.22Å; A209-H211 VanDerWaalsContact C-N 3.3Å; A209-H211 PolarHBondContact O-N 3.27Å; H211-N213 PolarHBondContact O-N 3.21Å; H211-T214 WeakPolarHBondContact O-CB 3.33Å; H211-T214 PolarHBondContact O-N 2.94Å; H211-T215 WeakPolarHBondContact O-CG2 3.3Å; H211-T215 PolarHBondContact O-N 2.86Å; H211-T215 PolarHBondContact O-OG1 3.18Å; H211-Y241 AromaticContact CE1-CE2 3.89Å; H211-Y241 AromaticContact ND1-CE2 3.58Å; H211-Y241 AromaticContact ND1-CZ 3.63Å; H211-Y241 PolarHBondContact ND1-OH 3.25Å; H211-V254 HydrophobicContact CB-CG1 3.86Å; H211-V254 HydrophobicContact CB-CG2 3.76Å
212	R	97.3	Very high	95.3	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-43.8	174.4	-177.8	-86.7	-68	-174.4	-8.5	111.8	P162 L163 P169 P208 A209 T214 T215 A216 T253 V254 F257	P162-R212 PolarHBondContact O-NH2 3.37Å; L163-R212 HydrophobicContact CD1-CB 4.21Å; L163-R212 HydrophobicContact CD1-CG 4.42Å; P169-R212 VanDerWaalsContact CD-NH1 3.27Å; P169-R212 VanDerWaalsContact N-NH1 3.14Å; P208-R212 VanDerWaalsContact O-CB 3.31Å; P208-R212 WeakPolarHBondContact O-CB 3.26Å; P208-R212 PolarHBondContact O-N 3.39Å; A209-R212 PolarHBondContact O-N 2.91Å; R212-T214 VanDerWaalsContact C-N 3.28Å; R212-T214 PolarHBondContact O-N 3.02Å; R212-T215 PolarHBondContact O-N 3.08Å; R212-T215 PolarHBondContact O-OG1 3.05Å; R212-A216 WeakPolarHBondContact O-CB 3.42Å; R212-A216 PolarHBondContact O-N 2.73Å; R212-T253 HydrophobicContact CG-CG2 3.68Å; R212-V254 HydrophobicContact CB-CG2 4.19Å; R212-F257 HydrophobicContact CG-CB 4.42Å; R212-F257 HydrophobicContact CG-CD2 3.61Å; R212-F257 HydrophobicContact CG-CE2 4.16Å; R212-F257 HydrophobicContact CG-CG 4.13Å
213	N	98.4	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-35.4	179.7	-61.3	-22.6	0	0	0	110.8	L157 I158 I161 I172 A209 K210 H211 A216 V217	L157-N213 PolarHBondContact O-ND2 2.81Å; I158-N213 PolarHBondContact O-ND2 2.68Å; I161-N213 PolarHBondContact O-ND2 3.22Å; I172-N213 HydrophobicContact CD1-CB 3.92Å; A209-N213 WeakPolarHBondContact O-CB 3.39Å; A209-N213 PolarHBondContact O-N 2.86Å; A209-N213 PolarHBondContact O-ND2 3.33Å; A209-N213 VanDerWaalsContact O-ND2 3.17Å; A209-N213 PolarHBondContact O-OD1 2.75Å; K210-N213 PolarHBondContact O-N 3.4Å; H211-N213 PolarHBondContact O-N 3.21Å; N213-A216 PolarHBondContact O-N 3.12Å; N213-V217 WeakPolarHBondContact O-CB 3.1Å; N213-V217 VanDerWaalsContact O-CG2 3.3Å; N213-V217 WeakPolarHBondContact O-CG2 3.47Å; N213-V217 PolarHBondContact O-N 2.78Å
214	T	98.4	Very high	95.3	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-46.8	175.7	-58.3	0	0	0	0	110.6	I158 L194 L196 K210 H211 R212 V217 L218 Y241	I158-T214 WeakPolarHBondContact CG2-OG1 3.42Å; L194-T214 HydrophobicContact CD1-CG2 4.45Å; L194-T214 HydrophobicContact CD2-CG2 4.42Å; L196-T214 HydrophobicContact CD1-CG2 4.38Å; L196-T214 HydrophobicContact CD2-CG2 4.08Å; K210-T214 WeakPolarHBondContact O-CB 3.35Å; K210-T214 PolarHBondContact O-N 3.17Å; K210-T214 PolarHBondContact O-OG1 3.1Å; H211-T214 WeakPolarHBondContact O-CB 3.33Å; H211-T214 PolarHBondContact O-N 2.94Å; R212-T214 VanDerWaalsContact C-N 3.28Å; R212-T214 PolarHBondContact O-N 3.02Å; T214-V217 PolarHBondContact O-N 3.37Å; T214-L218 HydrophobicContact CG2-CD1 4.35Å; T214-L218 VanDerWaalsContact O-CG 3.29Å; T214-L218 WeakPolarHBondContact O-CG 3.42Å; T214-L218 PolarHBondContact O-N 2.94Å; T214-Y241 HydrophobicContact CG2-CE1 4.21Å
215	T	98.3	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-37.8	177.7	54.3	0	0	0	0	112.3	H211 R212 L218 G219 Y241 L242 F257 A258	H211-T215 WeakPolarHBondContact O-CG2 3.3Å; H211-T215 PolarHBondContact O-N 2.86Å; H211-T215 PolarHBondContact O-OG1 3.18Å; R212-T215 PolarHBondContact O-N 3.08Å; R212-T215 PolarHBondContact O-OG1 3.05Å; T215-L218 PolarHBondContact O-N 2.84Å; T215-G219 PolarHBondContact O-N 2.95Å; T215-Y241 HydrophobicContact CG2-CE1 3.79Å; T215-L242 HydrophobicContact CG2-CD2 3.88Å; T215-F257 WeakPolarHBondContact OG1-CB 3.41Å; T215-A258 HydrophobicContact CG2-CB 3.98Å
216	A	97.8	Very high	95.9	Very high	2 Å²	2	29 Å²	29	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-48.1	173	0	0	0	0	0	112.2	I172 R212 N213 L218 G219 C220 F257	I172-A216 HydrophobicContact CD1-CB 3.79Å; I172-A216 HydrophobicContact CG2-CB 4.38Å; R212-A216 WeakPolarHBondContact O-CB 3.42Å; R212-A216 PolarHBondContact O-N 2.73Å; N213-A216 PolarHBondContact O-N 3.12Å; A216-L218 PolarHBondContact O-N 2.9Å; A216-G219 PolarHBondContact O-N 3.22Å; A216-C220 PolarHBondContact O-N 3.11Å; A216-C220 PolarHBondContact O-SG 2.92Å; A216-F257 HydrophobicContact CB-CD1 3.76Å; A216-F257 HydrophobicContact CB-CE1 4.21Å; A216-F257 HydrophobicContact CB-CG 4.43Å
217	V	98.1	Very high	96	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-57.6	-48.5	175.1	165.6	0	0	0	0	110.8	V154 I158 I172 L176 N213 T214 G219 C220 L221	V154-V217 HydrophobicContact CG1-CG1 3.76Å; I158-V217 HydrophobicContact CD1-CG2 4.35Å; I158-V217 HydrophobicContact CG1-CB 4.45Å; I158-V217 HydrophobicContact CG1-CG2 3.86Å; I172-V217 HydrophobicContact CG2-CG2 3.68Å; L176-V217 HydrophobicContact CD1-CB 4.47Å; L176-V217 HydrophobicContact CD1-CG1 4.3Å; L176-V217 HydrophobicContact CD1-CG2 4.19Å; N213-V217 WeakPolarHBondContact O-CB 3.1Å; N213-V217 VanDerWaalsContact O-CG2 3.3Å; N213-V217 WeakPolarHBondContact O-CG2 3.47Å; N213-V217 PolarHBondContact O-N 2.78Å; T214-V217 PolarHBondContact O-N 3.37Å; V217-G219 VanDerWaalsContact C-N 3.28Å; V217-G219 PolarHBondContact O-N 2.91Å; V217-C220 PolarHBondContact O-N 3.22Å; V217-L221 HydrophobicContact CG1-CD1 3.95Å; V217-L221 HydrophobicContact CG1-CG 4.35Å; V217-L221 VanDerWaalsContact O-CG 3.32Å; V217-L221 WeakPolarHBondContact O-CG 3.32Å; V217-L221 PolarHBondContact O-N 3.49Å
218	L	98.1	Very high	95.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-41.8	177.5	-71.5	172.3	0	0	0	111.7	L196 T214 T215 A216 L221 A222 L233 T238 L242 A261 F265	L196-L218 HydrophobicContact CD1-CD1 3.75Å; T214-L218 HydrophobicContact CG2-CD1 4.35Å; T214-L218 VanDerWaalsContact O-CG 3.29Å; T214-L218 WeakPolarHBondContact O-CG 3.42Å; T214-L218 PolarHBondContact O-N 2.94Å; T215-L218 PolarHBondContact O-N 2.84Å; A216-L218 PolarHBondContact O-N 2.9Å; L218-L221 PolarHBondContact O-N 3.16Å; L218-A222 WeakPolarHBondContact O-CB 3.48Å; L218-A222 PolarHBondContact O-N 2.64Å; L218-L233 HydrophobicContact CD2-CD1 4.13Å; L218-L233 HydrophobicContact CD2-CG 4.36Å; L218-T238 HydrophobicContact CD1-CG2 3.96Å; L218-T238 HydrophobicContact CD2-CG2 4.12Å; L218-L242 HydrophobicContact CD1-CD2 4.15Å; L218-L242 HydrophobicContact CD1-CG 4.49Å; L218-A261 HydrophobicContact CB-CB 4.47Å; L218-F265 HydrophobicContact CB-CE2 4.25Å
219	G	97.1	Very high	95.8	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.7	0	0	0	0	0	113.2	T215 A216 V217 L221 A222 E223	T215-G219 PolarHBondContact O-N 2.95Å; A216-G219 PolarHBondContact O-N 3.22Å; V217-G219 VanDerWaalsContact C-N 3.28Å; V217-G219 PolarHBondContact O-N 2.91Å; G219-L221 PolarHBondContact O-N 3.1Å; G219-A222 PolarHBondContact O-N 3.05Å; G219-E223 PolarHBondContact O-N 3.25Å; G219-E223 VanDerWaalsContact O-N 3.08Å
220	C	96.2	Very high	95.7	Very high	5 Å²	5	25 Å²	25	3%	0.034	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-42.8	176.6	-63.4	0	0	0	0	112	T173 L176 A216 V217 K224	T173-C220 PolarHBondContact OG1-SG 3.29Å; T173-C220 VanDerWaalsContact OG1-SG 3.39Å; L176-C220 HydrophobicContact CB-CB 4.41Å; L176-C220 HydrophobicContact CD1-CB 3.8Å; A216-C220 PolarHBondContact O-N 3.11Å; A216-C220 PolarHBondContact O-SG 2.92Å; V217-C220 PolarHBondContact O-N 3.22Å; C220-K224 WeakPolarHBondContact O-CG 3.46Å; C220-K224 PolarHBondContact O-N 3.03Å
221	L	96.2	Very high	95.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-40.7	177	-63.5	177.8	0	0	0	111.5	W150 L190 V217 L218 G219 E223 K224 L225 L233	W150-L221 HydrophobicContact CH2-CD1 4.23Å; W150-L221 HydrophobicContact CH2-CD2 4.27Å; W150-L221 HydrophobicContact CZ2-CD1 4.45Å; W150-L221 HydrophobicContact CZ2-CD2 3.71Å; L190-L221 HydrophobicContact CD2-CD1 3.73Å; V217-L221 HydrophobicContact CG1-CD1 3.95Å; V217-L221 HydrophobicContact CG1-CG 4.35Å; V217-L221 VanDerWaalsContact O-CG 3.32Å; V217-L221 WeakPolarHBondContact O-CG 3.32Å; V217-L221 PolarHBondContact O-N 3.49Å; L218-L221 PolarHBondContact O-N 3.16Å; G219-L221 PolarHBondContact O-N 3.1Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3.3Å; L221-K224 PolarHBondContact O-N 3.16Å; L221-K224 VanDerWaalsContact O-N 3.17Å; L221-L225 HydrophobicContact CB-CD1 4.19Å; L221-L225 VanDerWaalsContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CB 3.16Å; L221-L225 VanDerWaalsContact O-CG 3.22Å; L221-L225 WeakPolarHBondContact O-CG 3.21Å; L221-L225 PolarHBondContact O-N 3.15Å; L221-L233 HydrophobicContact CB-CD2 3.56Å; L221-L233 HydrophobicContact CD1-CD2 4.1Å; L221-L233 HydrophobicContact CG-CD2 4.49Å
222	A	95.9	Very high	95.4	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-34.6	178.8	0	0	0	0	0	113.1	L218 G219 K224 K264 F265	L218-A222 WeakPolarHBondContact O-CB 3.48Å; L218-A222 PolarHBondContact O-N 2.64Å; G219-A222 PolarHBondContact O-N 3.05Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K264 HydrophobicContact CB-CB 3.83Å; A222-F265 HydrophobicContact CB-CB 4.32Å; A222-F265 HydrophobicContact CB-CD1 3.51Å; A222-F265 HydrophobicContact CB-CD2 3.83Å; A222-F265 HydrophobicContact CB-CE1 3.65Å; A222-F265 HydrophobicContact CB-CE2 3.94Å; A222-F265 HydrophobicContact CB-CG 3.61Å; A222-F265 HydrophobicContact CB-CZ 3.86Å
223	E	93.1	Very high	95.4	Very high	57 Å²	57	25.2 Å²	25.2	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-68.9	-31.7	175.7	-176.7	153.2	-137	0	0	112.8	G219 L221 K264	G219-E223 PolarHBondContact O-N 3.25Å; G219-E223 VanDerWaalsContact O-N 3.08Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3.3Å; E223-K264 HydrophobicContact CB-CB 4.49Å; E223-K264 HydrophobicContact CB-CD 4.12Å; E223-K264 HydrophobicContact CB-CG 4.45Å; E223-K264 HydrophobicContact CG-CD 4.37Å; E223-K264 IonicContact OE1-NZ 2.84Å; E223-K264 PolarHBondContact OE1-NZ 2.76Å; E223-K264 WeakPolarHBondContact OE2-CE 3.32Å; E223-K264 IonicContact OE2-NZ 3.23Å; E223-K264 PolarHBondContact OE2-NZ 3.03Å
224	K	92.1	Very high	95.3	Very high	59 Å²	59	25.8 Å²	25.8	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-91.8	-31.6	-175.8	-72.5	177.9	160.2	-128.7	0	114.1	L176 D177 L181 C220 L221 A222	L176-K224 WeakPolarHBondContact O-CE 3.42Å; L176-K224 PolarHBondContact O-NZ 3.12Å; D177-K224 PolarHBondContact O-NZ 3.13Å; D177-K224 WeakPolarHBondContact OD1-CE 3.42Å; D177-K224 IonicContact OD1-NZ 3.43Å; D177-K224 PolarHBondContact OD1-NZ 3.13Å; L181-K224 HydrophobicContact CD2-CB 3.9Å; L181-K224 HydrophobicContact CD2-CD 4.41Å; C220-K224 WeakPolarHBondContact O-CG 3.46Å; C220-K224 PolarHBondContact O-N 3.03Å; L221-K224 PolarHBondContact O-N 3.16Å; L221-K224 VanDerWaalsContact O-N 3.17Å; A222-K224 VanDerWaalsContact C-N 3.34Å
225	L	93.6	Very high	95.2	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	19%	0.185	C	C	.	.			trans	-90.1	137.6	-175.6	-63.4	173.9	0	0	0	110.5	L187 L221 A229 S230 L233	L187-L225 HydrophobicContact CD1-CD1 3.76Å; L187-L225 HydrophobicContact CD1-CD2 4.3Å; L187-L225 HydrophobicContact CD2-CD1 3.9Å; L221-L225 HydrophobicContact CB-CD1 4.19Å; L221-L225 VanDerWaalsContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CB 3.16Å; L221-L225 VanDerWaalsContact O-CG 3.22Å; L221-L225 WeakPolarHBondContact O-CG 3.21Å; L221-L225 PolarHBondContact O-N 3.15Å; L225-A229 HydrophobicContact CD2-CB 4.16Å; L225-S230 VanDerWaalsContact O-CB 3.23Å; L225-S230 WeakPolarHBondContact O-CB 3.35Å; L225-S230 PolarHBondContact O-OG 3.01Å; L225-L233 HydrophobicContact CD1-CD2 3.9Å
226	A	91.3	Very high	95.2	Very high	72 Å²	72	32.1 Å²	32.1	60%	0.595	22%	0.216	S	C	*	.			trans	-128.9	166.1	172.6	0	0	0	0	0	111.2	T268	A226-T268 HydrophobicContact CB-CG2 4.49Å
227	G	91.6	Very high	95.2	Very high	27 Å²	27	32.8 Å²	32.8	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	60.1	-142.9	176.6	0	0	0	0	0	113	A229 S230 I231	G227-A229 PolarHBondContact O-N 2.88Å; G227-A229 VanDerWaalsContact O-N 3.14Å; G227-S230 PolarHBondContact O-N 2.92Å; G227-S230 VanDerWaalsContact O-N 3.16Å; G227-I231 WeakPolarHBondContact O-CG1 3.24Å; G227-I231 PolarHBondContact O-N 3.48Å; G227-I231 VanDerWaalsContact O-N 3.11Å
228	P	92.6	Very high	95.2	Very high	118 Å²	118	33 Å²	33	77%	0.766	22%	0.224	S	C	*	.	H	α-helix	trans	-58.4	-30.1	-172.6	-27.1	35.3	0	0	0	115.3	G232	P228-G232 PolarHBondContact O-N 2.97Å
229	A	93.6	Very high	95.2	Very high	39 Å²	39	34 Å²	34	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-69.9	-43.1	179	0	0	0	0	0	111.8	L187 L225 G227 G232 L233	L187-A229 HydrophobicContact CD1-CB 3.98Å; L225-A229 HydrophobicContact CD2-CB 4.16Å; G227-A229 PolarHBondContact O-N 2.88Å; G227-A229 VanDerWaalsContact O-N 3.14Å; A229-G232 PolarHBondContact O-N 3.3Å; A229-L233 PolarHBondContact O-N 3.36Å
230	S	94.8	Very high	95.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-42	176.6	-163.3	0	0	0	0	111.6	L225 G227 L233 L234 N271	L225-S230 VanDerWaalsContact O-CB 3.23Å; L225-S230 WeakPolarHBondContact O-CB 3.35Å; L225-S230 PolarHBondContact O-OG 3.01Å; G227-S230 PolarHBondContact O-N 2.92Å; G227-S230 VanDerWaalsContact O-N 3.16Å; S230-L233 PolarHBondContact O-N 3.34Å; S230-L234 PolarHBondContact O-N 2.87Å; S230-N271 PolarHBondContact O-ND2 2.97Å; S230-N271 PolarHBondContact OG-ND2 3.48Å
231	I	94.7	Very high	95.4	Very high	71 Å²	71	38.6 Å²	38.6	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-63.8	-43.5	176.5	-64	166.4	0	0	0	110.5	G227 L233 L234 E270	G227-I231 WeakPolarHBondContact O-CG1 3.24Å; G227-I231 PolarHBondContact O-N 3.48Å; G227-I231 VanDerWaalsContact O-N 3.11Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.37Å; I231-L234 CarbonylContact O-C 3.54Å; I231-L234 PolarHBondContact O-N 2.68Å; I231-E270 HydrophobicContact CD1-CB 3.85Å; I231-E270 HydrophobicContact CD1-CG 3.93Å; I231-E270 HydrophobicContact CG1-CB 4.07Å
232	G	94.3	Very high	95.5	Very high	49 Å²	49	38.4 Å²	38.4	51%	0.505	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-36.3	178	0	0	0	0	0	113.4	P228 A229	P228-G232 PolarHBondContact O-N 2.97Å; A229-G232 PolarHBondContact O-N 3.3Å
233	L	96.4	Very high	95.6	Very high	2 Å²	2	39 Å²	39	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-69.1	-37.2	178.1	-176.1	64.6	0	0	0	112.3	L187 L218 L221 L225 A229 S230 I231 S235 T238 F265	L187-L233 HydrophobicContact CD2-CD1 4.45Å; L218-L233 HydrophobicContact CD2-CD1 4.13Å; L218-L233 HydrophobicContact CD2-CG 4.36Å; L221-L233 HydrophobicContact CB-CD2 3.56Å; L221-L233 HydrophobicContact CD1-CD2 4.1Å; L221-L233 HydrophobicContact CG-CD2 4.49Å; L225-L233 HydrophobicContact CD1-CD2 3.9Å; A229-L233 PolarHBondContact O-N 3.36Å; S230-L233 PolarHBondContact O-N 3.34Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.37Å; L233-S235 PolarHBondContact O-N 3.35Å; L233-T238 WeakPolarHBondContact O-CB 3.2Å; L233-T238 PolarHBondContact O-OG1 3.22Å; L233-F265 HydrophobicContact CB-CE1 4.22Å; L233-F265 HydrophobicContact CD2-CE1 4.02Å; L233-F265 HydrophobicContact CD2-CZ 3.94Å; L233-F265 HydrophobicContact CG-CE1 4.06Å; L233-F265 HydrophobicContact CG-CZ 3.96Å
234	L	97.7	Very high	95.8	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.058	25%	0.248	C	C	.	.	S	Bend	trans	-78.6	56.8	171.4	-166.6	66.7	0	0	0	111.2	S230 I231 T238 L239 L242 F265 N271 V275	S230-L234 PolarHBondContact O-N 2.87Å; I231-L234 CarbonylContact O-C 3.54Å; I231-L234 PolarHBondContact O-N 2.68Å; L234-T238 HydrophobicContact CD1-CG2 4.38Å; L234-L239 HydrophobicContact CD1-CB 4.22Å; L234-L239 HydrophobicContact CD1-CD1 4.37Å; L234-L242 HydrophobicContact CD1-CD1 4.25Å; L234-F265 HydrophobicContact CB-CD1 3.81Å; L234-F265 HydrophobicContact CB-CE1 3.82Å; L234-F265 HydrophobicContact CB-CG 4.39Å; L234-F265 HydrophobicContact CB-CZ 4.42Å; L234-F265 HydrophobicContact CD1-CB 4.49Å; L234-F265 HydrophobicContact CD1-CD1 4.14Å; L234-F265 HydrophobicContact CD1-CD2 3.8Å; L234-F265 HydrophobicContact CD1-CE1 4.3Å; L234-F265 HydrophobicContact CD1-CE2 3.99Å; L234-F265 HydrophobicContact CD1-CG 3.89Å; L234-F265 HydrophobicContact CD1-CZ 4.23Å; L234-F265 HydrophobicContact CD2-CB 4.24Å; L234-F265 HydrophobicContact CD2-CD1 4.4Å; L234-F265 HydrophobicContact CD2-CG 4.31Å; L234-F265 HydrophobicContact CG-CD1 4.33Å; L234-F265 HydrophobicContact CG-CG 4.42Å; L234-N271 HydrophobicContact CD2-CB 3.76Å; L234-V275 HydrophobicContact CD2-CG2 3.76Å
235	S	96.6	Very high	96.1	Very high	38 Å²	38	35.3 Å²	35.3	27%	0.266	24%	0.235	S	C	.	.			trans	-60.6	160.5	172.8	79.5	0	0	0	0	111.3	L233 G237 T238 L239	L233-S235 PolarHBondContact O-N 3.35Å; S235-G237 PolarHBondContact O-N 2.88Å; S235-G237 PolarHBondContact OG-N 2.99Å; S235-T238 WeakPolarHBondContact O-CB 3.24Å; S235-T238 PolarHBondContact O-N 2.94Å; S235-T238 PolarHBondContact OG-N 3.08Å; S235-T238 VanDerWaalsContact OG-N 3.1Å; S235-T238 PolarHBondContact OG-OG1 2.9Å; S235-L239 PolarHBondContact O-N 3.09Å
236	P	97.2	Very high	96.3	Very high	100 Å²	100	34.9 Å²	34.9	65%	0.649	23%	0.233	S	C	*	.	H	α-helix	trans	-52.2	-41.5	173.6	-28	35.7	0	0	0	113.1	L239 E240	P236-L239 PolarHBondContact O-N 3.04Å; P236-E240 WeakPolarHBondContact O-CB 3.49Å; P236-E240 WeakPolarHBondContact O-CG 3.48Å; P236-E240 PolarHBondContact O-N 2.85Å
237	G	97.8	Very high	96.4	Very high	17 Å²	17	32.8 Å²	32.8	18%	0.175	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-37.8	176.9	0	0	0	0	0	113.3	L196 S235 Y241	L196-G237 CarbonylContact C-O 3.51Å; L196-G237 CarbonylContact O-C 3.5Å; L196-G237 VanDerWaalsContact O-CA 3.25Å; L196-G237 WeakPolarHBondContact O-CA 3.17Å; S235-G237 PolarHBondContact O-N 2.88Å; S235-G237 PolarHBondContact OG-N 2.99Å; G237-Y241 VanDerWaalsContact O-CB 3.25Å; G237-Y241 WeakPolarHBondContact O-CB 3.24Å; G237-Y241 PolarHBondContact O-N 2.86Å
238	T	98.4	Very high	96.1	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-46.5	173.2	-51.6	0	0	0	0	110.8	L196 L218 L233 L234 S235 Y241 L242	L196-T238 HydrophobicContact CD1-CG2 4.25Å; L218-T238 HydrophobicContact CD1-CG2 3.96Å; L218-T238 HydrophobicContact CD2-CG2 4.12Å; L233-T238 WeakPolarHBondContact O-CB 3.2Å; L233-T238 PolarHBondContact O-OG1 3.22Å; L234-T238 HydrophobicContact CD1-CG2 4.38Å; S235-T238 WeakPolarHBondContact O-CB 3.24Å; S235-T238 PolarHBondContact O-N 2.94Å; S235-T238 PolarHBondContact OG-N 3.08Å; S235-T238 VanDerWaalsContact OG-N 3.1Å; S235-T238 PolarHBondContact OG-OG1 2.9Å; T238-Y241 PolarHBondContact O-N 3.43Å; T238-L242 HydrophobicContact CG2-CD1 4.14Å; T238-L242 VanDerWaalsContact O-CG 3.31Å; T238-L242 WeakPolarHBondContact O-CG 3.38Å; T238-L242 PolarHBondContact O-N 3.18Å
239	L	98.6	Very high	95.8	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-46.9	179.1	179.6	61.2	0	0	0	111.4	L234 S235 P236 Y241 L242 L243 L262 T274 V275	L234-L239 HydrophobicContact CD1-CB 4.22Å; L234-L239 HydrophobicContact CD1-CD1 4.37Å; S235-L239 PolarHBondContact O-N 3.09Å; P236-L239 PolarHBondContact O-N 3.04Å; L239-Y241 VanDerWaalsContact C-N 3.32Å; L239-Y241 PolarHBondContact O-N 3.49Å; L239-L242 PolarHBondContact O-N 3.49Å; L239-L243 HydrophobicContact CD1-CD1 3.9Å; L239-L243 HydrophobicContact CD1-CG 4.01Å; L239-L243 HydrophobicContact CG-CD1 3.84Å; L239-L243 HydrophobicContact CG-CG 4.35Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 VanDerWaalsContact O-CG 3.29Å; L239-L243 WeakPolarHBondContact O-CG 3.36Å; L239-L243 PolarHBondContact O-N 3.37Å; L239-L262 HydrophobicContact CD1-CD2 3.83Å; L239-T274 HydrophobicContact CD2-CG2 3.97Å; L239-V275 HydrophobicContact CD1-CG2 4.09Å
240	E	98	Very high	95.9	Very high	103 Å²	103	34.9 Å²	34.9	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-57.8	-45	175.4	-77.2	176.1	-171	0	0	111.8	A198 P236 L242 L243 E244	A198-E240 HydrophobicContact CB-CB 4.45Å; P236-E240 WeakPolarHBondContact O-CB 3.49Å; P236-E240 WeakPolarHBondContact O-CG 3.48Å; P236-E240 PolarHBondContact O-N 2.85Å; E240-L242 PolarHBondContact O-N 2.92Å; E240-L243 PolarHBondContact O-N 3.4Å; E240-E244 VanDerWaalsContact O-CB 3.24Å; E240-E244 WeakPolarHBondContact O-CB 3.39Å; E240-E244 PolarHBondContact O-N 2.8Å
241	Y	98.6	Very high	96	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.6	172.8	-91.4	0	0	0	112.1	L196 V200 A201 H211 T214 T215 G237 T238 L239 S245	L196-Y241 HydrophobicContact CB-CD2 4.33Å; L196-Y241 HydrophobicContact CB-CG 4.01Å; L196-Y241 HydrophobicContact CD1-CD1 4.06Å; L196-Y241 HydrophobicContact CD1-CG 4.3Å; L196-Y241 HydrophobicContact CD2-CD1 4.25Å; L196-Y241 HydrophobicContact CD2-CD2 3.9Å; L196-Y241 HydrophobicContact CD2-CE1 4.33Å; L196-Y241 HydrophobicContact CD2-CE2 3.99Å; L196-Y241 HydrophobicContact CD2-CG 4.05Å; L196-Y241 HydrophobicContact CG-CG 4.34Å; V200-Y241 HydrophobicContact CB-CD2 4.28Å; V200-Y241 HydrophobicContact CG1-CD2 4.19Å; V200-Y241 HydrophobicContact CG1-CE2 3.98Å; A201-Y241 HydrophobicContact CB-CD2 3.6Å; A201-Y241 HydrophobicContact CB-CE2 3.95Å; A201-Y241 HydrophobicContact CB-CG 4.25Å; A201-Y241 WeakPolarHBondContact CB-O 3.36Å; H211-Y241 AromaticContact CE1-CE2 3.89Å; H211-Y241 AromaticContact ND1-CE2 3.58Å; H211-Y241 AromaticContact ND1-CZ 3.63Å; H211-Y241 PolarHBondContact ND1-OH 3.25Å; T214-Y241 HydrophobicContact CG2-CE1 4.21Å; T215-Y241 HydrophobicContact CG2-CE1 3.79Å; G237-Y241 VanDerWaalsContact O-CB 3.25Å; G237-Y241 WeakPolarHBondContact O-CB 3.24Å; G237-Y241 PolarHBondContact O-N 2.86Å; T238-Y241 PolarHBondContact O-N 3.43Å; L239-Y241 VanDerWaalsContact C-N 3.32Å; L239-Y241 PolarHBondContact O-N 3.49Å; Y241-S245 WeakPolarHBondContact O-CB 3.2Å; Y241-S245 PolarHBondContact O-N 2.89Å; Y241-S245 PolarHBondContact O-OG 2.74Å
242	L	98.6	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-42.1	179.5	-70.1	172.2	0	0	0	112.1	T215 L218 L234 T238 L239 E240 S245 A258 A261 L262 F265	T215-L242 HydrophobicContact CG2-CD2 3.88Å; L218-L242 HydrophobicContact CD1-CD2 4.15Å; L218-L242 HydrophobicContact CD1-CG 4.49Å; L234-L242 HydrophobicContact CD1-CD1 4.25Å; T238-L242 HydrophobicContact CG2-CD1 4.14Å; T238-L242 VanDerWaalsContact O-CG 3.31Å; T238-L242 WeakPolarHBondContact O-CG 3.38Å; T238-L242 PolarHBondContact O-N 3.18Å; L239-L242 PolarHBondContact O-N 3.49Å; E240-L242 PolarHBondContact O-N 2.92Å; L242-S245 WeakPolarHBondContact O-CB 3.29Å; L242-S245 PolarHBondContact O-N 3.16Å; L242-A258 HydrophobicContact CD2-CB 4.1Å; L242-A261 HydrophobicContact CD1-CB 4.43Å; L242-A261 HydrophobicContact CD2-CB 3.97Å; L242-L262 HydrophobicContact CB-CD1 4.02Å; L242-L262 HydrophobicContact CB-CD2 3.88Å; L242-L262 HydrophobicContact CB-CG 3.92Å; L242-L262 HydrophobicContact CD1-CD2 3.9Å; L242-L262 HydrophobicContact CD1-CG 4.11Å; L242-F265 HydrophobicContact CD1-CD2 4.04Å; L242-F265 HydrophobicContact CD1-CE2 3.84Å
243	L	98.4	Very high	96.2	Very high	15 Å²	15	33.7 Å²	33.7	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-41.1	178.3	-68.9	173.3	0	0	0	112	L239 E240 S245 L246 L262 I280 R283	L239-L243 HydrophobicContact CD1-CD1 3.9Å; L239-L243 HydrophobicContact CD1-CG 4.01Å; L239-L243 HydrophobicContact CG-CD1 3.84Å; L239-L243 HydrophobicContact CG-CG 4.35Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 VanDerWaalsContact O-CG 3.29Å; L239-L243 WeakPolarHBondContact O-CG 3.36Å; L239-L243 PolarHBondContact O-N 3.37Å; E240-L243 PolarHBondContact O-N 3.4Å; L243-S245 VanDerWaalsContact C-N 3.28Å; L243-S245 PolarHBondContact O-N 3.48Å; L243-L246 WeakPolarHBondContact O-CB 3.45Å; L243-L246 PolarHBondContact O-N 2.86Å; L243-L246 VanDerWaalsContact O-N 3.1Å; L243-L262 HydrophobicContact CD2-CD1 4.27Å; L243-I280 HydrophobicContact CD2-CB 3.77Å; L243-I280 HydrophobicContact CD2-CG1 4.22Å; L243-R283 WeakPolarHBondContact O-CD 3.27Å; L243-R283 PolarHBondContact O-NE 2.92Å; L243-R283 PolarHBondContact O-NH1 3.21Å
244	E	97.9	Very high	96.2	Very high	37 Å²	37	33.6 Å²	33.6	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-31.2	177.1	-170.9	62.8	-177.9	0	0	111.8	A198 A201 Q202 E240 L246 S247 S250 R283	A198-E244 HydrophobicContact CB-CB 4.12Å; A198-E244 HydrophobicContact CB-CG 4.14Å; A201-E244 HydrophobicContact CB-CB 3.83Å; A201-E244 HydrophobicContact CB-CG 3.97Å; Q202-E244 HydrophobicContact CG-CG 3.98Å; Q202-E244 PolarHBondContact NE2-OE1 2.94Å; E240-E244 VanDerWaalsContact O-CB 3.24Å; E240-E244 WeakPolarHBondContact O-CB 3.39Å; E240-E244 PolarHBondContact O-N 2.8Å; E244-L246 PolarHBondContact O-N 3.48Å; E244-L246 VanDerWaalsContact O-N 3.11Å; E244-S247 WeakPolarHBondContact O-CB 3.24Å; E244-S247 PolarHBondContact O-N 3.09Å; E244-S250 PolarHBondContact O-OG 3.41Å; E244-R283 IonicContact OE2-CZ 3.31Å; E244-R283 IonicContact OE2-NH1 3.13Å; E244-R283 IonicContact OE2-NH2 2.88Å; E244-R283 PolarHBondContact OE2-NH2 2.86Å
245	S	97.9	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.2	170.9	-62.7	0	0	0	0	113.9	Y241 L242 L243 S250 M255	Y241-S245 WeakPolarHBondContact O-CB 3.2Å; Y241-S245 PolarHBondContact O-N 2.89Å; Y241-S245 PolarHBondContact O-OG 2.74Å; L242-S245 WeakPolarHBondContact O-CB 3.29Å; L242-S245 PolarHBondContact O-N 3.16Å; L243-S245 VanDerWaalsContact C-N 3.28Å; L243-S245 PolarHBondContact O-N 3.48Å; S245-S250 WeakPolarHBondContact O-CB 3.29Å; S245-S250 PolarHBondContact O-OG 2.9Å; S245-M255 WeakPolarHBondContact O-CA 2.92Å; S245-M255 VanDerWaalsContact O-CG 3.24Å; S245-M255 WeakPolarHBondContact O-CG 2.85Å
246	L	97.8	Very high	96.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.7	172.6	-57.7	177.7	0	0	0	113.4	L243 E244 M255 A258 L259 L262 I280 R283 L284 L287	L243-L246 WeakPolarHBondContact O-CB 3.45Å; L243-L246 PolarHBondContact O-N 2.86Å; L243-L246 VanDerWaalsContact O-N 3.1Å; E244-L246 PolarHBondContact O-N 3.48Å; E244-L246 VanDerWaalsContact O-N 3.11Å; L246-M255 HydrophobicContact CD2-CB 4.44Å; L246-M255 WeakPolarHBondContact CD2-O 3.43Å; L246-A258 HydrophobicContact CD2-CB 4.12Å; L246-L259 HydrophobicContact CD2-CB 3.94Å; L246-L262 HydrophobicContact CD1-CD1 3.75Å; L246-L262 HydrophobicContact CG-CD1 4.47Å; L246-I280 HydrophobicContact CD1-CG1 4.27Å; L246-R283 HydrophobicContact CB-CB 4.34Å; L246-L284 HydrophobicContact CD1-CD2 4.2Å; L246-L287 HydrophobicContact CB-CD1 4.27Å; L246-L287 HydrophobicContact CD2-CD1 4.44Å
247	S	93.6	Very high	96.4	Very high	28 Å²	28	27.1 Å²	27.1	20%	0.196	16%	0.156	C	C	.	.	S	Bend	trans	-62.8	149.5	173	-176.4	0	0	0	0	111.2	E244 D249 S250 M255	E244-S247 WeakPolarHBondContact O-CB 3.24Å; E244-S247 PolarHBondContact O-N 3.09Å; S247-D249 PolarHBondContact O-N 3.41Å; S247-D249 VanDerWaalsContact O-N 3.15Å; S247-S250 WeakPolarHBondContact O-CB 3.47Å; S247-S250 PolarHBondContact O-N 3.29Å; S247-S250 VanDerWaalsContact O-N 3.12Å; S247-S250 PolarHBondContact O-OG 3.29Å; S247-M255 WeakPolarHBondContact O-CE 3.47Å
248	A	84.5	Confident	96.5	Very high	65 Å²	65	26.3 Å²	26.3	54%	0.537	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.7	-179.4	0	0	0	0	0	114
249	D	87.5	Confident	96.5	Very high	152 Å²	152	26.1 Å²	26.1	81%	0.813	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-15.4	179.9	-62.1	-41.6	0	0	0	113.2	S247	S247-D249 PolarHBondContact O-N 3.41Å; S247-D249 VanDerWaalsContact O-N 3.15Å
250	S	94.8	Very high	96.5	Very high	12 Å²	12	25.2 Å²	25.2	8%	0.084	14%	0.141	C	C	.	.	S	Bend	trans	-72.3	159.5	-176.8	-48.9	0	0	0	0	112.1	D204 E244 S245 S247 M255	D204-S250 VanDerWaalsContact OD2-CA 3.24Å; D204-S250 WeakPolarHBondContact OD2-CA 3.33Å; D204-S250 WeakPolarHBondContact OD2-CB 3.37Å; E244-S250 PolarHBondContact O-OG 3.41Å; S245-S250 WeakPolarHBondContact O-CB 3.29Å; S245-S250 PolarHBondContact O-OG 2.9Å; S247-S250 WeakPolarHBondContact O-CB 3.47Å; S247-S250 PolarHBondContact O-N 3.29Å; S247-S250 VanDerWaalsContact O-N 3.12Å; S247-S250 PolarHBondContact O-OG 3.29Å; S250-M255 WeakPolarHBondContact O-CE 3.29Å
251	H	96.4	Very high	96.5	Very high	59 Å²	59	20.3 Å²	20.3	27%	0.273	12%	0.118	S	C	.	.			trans	-67.4	131.6	175.8	-169.9	-79	0	0	0	110.7	D204 P208 T253 V254 M255	D204-H251 PolarHBondContact OD2-N 2.96Å; P208-H251 HydrophobicContact CB-CB 3.9Å; H251-T253 VanDerWaalsContact C-N 3.29Å; H251-T253 PolarHBondContact CE1-OG1 3Å; H251-T253 PolarHBondContact ND1-N 3.49Å; H251-T253 PolarHBondContact ND1-OG1 3.44Å; H251-T253 PolarHBondContact O-N 2.88Å; H251-T253 VanDerWaalsContact O-N 3.12Å; H251-V254 HydrophobicContact CB-CB 4.4Å; H251-V254 HydrophobicContact CB-CG2 3.96Å; H251-V254 WeakPolarHBondContact O-CA 3.36Å; H251-V254 WeakPolarHBondContact O-CB 3.31Å; H251-V254 PolarHBondContact O-N 3.47Å; H251-M255 PolarHBondContact O-N 3.42Å
252	P	97	Very high	96.5	Very high	21 Å²	21	20.2 Å²	20.2	14%	0.136	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-37.8	-175	-31.3	37.1	0	0	0	115.3	V254 M255 L256 L297 K298 V301	P252-V254 VanDerWaalsContact C-N 3.34Å; P252-V254 PolarHBondContact O-N 2.7Å; P252-M255 WeakPolarHBondContact O-CB 3.33Å; P252-M255 PolarHBondContact O-N 3.12Å; P252-L256 WeakPolarHBondContact O-CB 3.25Å; P252-L256 PolarHBondContact O-N 2.97Å; P252-L297 HydrophobicContact CB-CB 3.88Å; P252-K298 HydrophobicContact CB-CG 4.36Å; P252-K298 HydrophobicContact CG-CG 4.02Å; P252-V301 HydrophobicContact CB-CG2 4.39Å; P252-V301 VanDerWaalsContact O-CG2 3.26Å; P252-V301 WeakPolarHBondContact O-CG2 3.35Å
253	T	96.1	Very high	96.5	Very high	15 Å²	15	20.9 Å²	20.9	9%	0.092	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-36.1	175.2	-36	0	0	0	0	112.3	L163 R212 H251 L256 F257	L163-T253 HydrophobicContact CD1-CG2 4.07Å; R212-T253 HydrophobicContact CG-CG2 3.68Å; H251-T253 VanDerWaalsContact C-N 3.29Å; H251-T253 PolarHBondContact CE1-OG1 3Å; H251-T253 PolarHBondContact ND1-N 3.49Å; H251-T253 PolarHBondContact ND1-OG1 3.44Å; H251-T253 PolarHBondContact O-N 2.88Å; H251-T253 VanDerWaalsContact O-N 3.12Å; T253-L256 PolarHBondContact O-N 2.96Å; T253-F257 HydrophobicContact CG2-CD2 4.06Å; T253-F257 HydrophobicContact CG2-CE2 4.06Å; T253-F257 WeakPolarHBondContact O-CD2 3.44Å; T253-F257 PolarHBondContact O-N 3.11Å
254	V	97.9	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-44.9	175.8	-179.5	0	0	0	0	109.5	P208 H211 R212 H251 P252 L256 F257 A258	P208-V254 HydrophobicContact CB-CG2 4.3Å; P208-V254 WeakPolarHBondContact O-CG2 3.49Å; H211-V254 HydrophobicContact CB-CG1 3.86Å; H211-V254 HydrophobicContact CB-CG2 3.76Å; R212-V254 HydrophobicContact CB-CG2 4.19Å; H251-V254 HydrophobicContact CB-CB 4.4Å; H251-V254 HydrophobicContact CB-CG2 3.96Å; H251-V254 WeakPolarHBondContact O-CA 3.36Å; H251-V254 WeakPolarHBondContact O-CB 3.31Å; H251-V254 PolarHBondContact O-N 3.47Å; P252-V254 VanDerWaalsContact C-N 3.34Å; P252-V254 PolarHBondContact O-N 2.7Å; V254-L256 PolarHBondContact O-N 2.87Å; V254-F257 PolarHBondContact O-N 3.1Å; V254-A258 VanDerWaalsContact O-CB 3.29Å; V254-A258 WeakPolarHBondContact O-CB 3.37Å; V254-A258 PolarHBondContact O-N 3.03Å
255	M	98.3	Very high	96.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-55.7	-48.7	174.7	-60.8	169.3	176.9	0	0	111.7	S245 L246 S247 S250 H251 P252 F257 A258 L259 L287 W290 V301	S245-M255 WeakPolarHBondContact O-CA 2.92Å; S245-M255 VanDerWaalsContact O-CG 3.24Å; S245-M255 WeakPolarHBondContact O-CG 2.85Å; L246-M255 HydrophobicContact CD2-CB 4.44Å; L246-M255 WeakPolarHBondContact CD2-O 3.43Å; S247-M255 WeakPolarHBondContact O-CE 3.47Å; S250-M255 WeakPolarHBondContact O-CE 3.29Å; H251-M255 PolarHBondContact O-N 3.42Å; P252-M255 WeakPolarHBondContact O-CB 3.33Å; P252-M255 PolarHBondContact O-N 3.12Å; M255-F257 PolarHBondContact O-N 3.4Å; M255-A258 PolarHBondContact O-N 3.36Å; M255-L259 WeakPolarHBondContact O-CB 3.49Å; M255-L259 PolarHBondContact O-N 3.49Å; M255-L287 HydrophobicContact SD-CD2 4.36Å; M255-W290 HydrophobicContact CE-CH2 3.75Å; M255-W290 HydrophobicContact CE-CZ3 4.08Å; M255-W290 HydrophobicContact SD-CH2 3.89Å; M255-W290 HydrophobicContact SD-CZ3 3.58Å; M255-W290 VanDerWaalsContact SD-CZ3 3.58Å; M255-V301 HydrophobicContact CB-CG1 4.32Å; M255-V301 HydrophobicContact CB-CG2 4.09Å; M255-V301 HydrophobicContact SD-CG1 4.39Å
256	L	98.4	Very high	96.4	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-58	-50.6	-178.4	178.5	60.3	0	0	0	111.4	P252 T253 V254 L259 I260 Q300 V301 C304	P252-L256 WeakPolarHBondContact O-CB 3.25Å; P252-L256 PolarHBondContact O-N 2.97Å; T253-L256 PolarHBondContact O-N 2.96Å; V254-L256 PolarHBondContact O-N 2.87Å; L256-L259 PolarHBondContact O-N 3.16Å; L256-I260 HydrophobicContact CD1-CD1 4.06Å; L256-I260 HydrophobicContact CG-CD1 3.97Å; L256-I260 VanDerWaalsContact O-CG1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.44Å; L256-I260 PolarHBondContact O-N 3.43Å; L256-Q300 HydrophobicContact CD1-CB 4.2Å; L256-Q300 HydrophobicContact CD2-CB 3.87Å; L256-V301 HydrophobicContact CB-CG2 3.9Å; L256-C304 HydrophobicContact CD1-CB 4.31Å
257	F	98.4	Very high	96.1	Very high	9 Å²	9	24.2 Å²	24.2	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-74.1	-27.2	-179.3	-79.3	-86.6	0	0	0	112.9	P169 R212 T215 A216 T253 V254 M255 I260 A261 Y483	P169-F257 HydrophobicContact CB-CE1 3.49Å; P169-F257 VanDerWaalsContact CB-CE1 3.49Å; P169-F257 HydrophobicContact CB-CE2 4.15Å; P169-F257 HydrophobicContact CB-CZ 3.22Å; P169-F257 HydrophobicContact CG-CE1 4.14Å; P169-F257 HydrophobicContact CG-CE2 3.85Å; P169-F257 HydrophobicContact CG-CZ 3.36Å; R212-F257 HydrophobicContact CG-CB 4.42Å; R212-F257 HydrophobicContact CG-CD2 3.61Å; R212-F257 HydrophobicContact CG-CE2 4.16Å; R212-F257 HydrophobicContact CG-CG 4.13Å; T215-F257 WeakPolarHBondContact OG1-CB 3.41Å; A216-F257 HydrophobicContact CB-CD1 3.76Å; A216-F257 HydrophobicContact CB-CE1 4.21Å; A216-F257 HydrophobicContact CB-CG 4.43Å; T253-F257 HydrophobicContact CG2-CD2 4.06Å; T253-F257 HydrophobicContact CG2-CE2 4.06Å; T253-F257 WeakPolarHBondContact O-CD2 3.44Å; T253-F257 PolarHBondContact O-N 3.11Å; V254-F257 PolarHBondContact O-N 3.1Å; M255-F257 PolarHBondContact O-N 3.4Å; F257-I260 HydrophobicContact CD1-CD1 4.41Å; F257-A261 VanDerWaalsContact O-CB 3.32Å; F257-A261 WeakPolarHBondContact O-CB 3.15Å; F257-A261 PolarHBondContact O-N 3Å; F257-Y483 HydrophobicContact CD1-CE1 4.49Å; F257-Y483 AromaticContact CE1-CD1 3.75Å; F257-Y483 HydrophobicContact CE1-CD1 3.75Å; F257-Y483 AromaticContact CE1-CD2 3.95Å; F257-Y483 HydrophobicContact CE1-CD2 3.95Å; F257-Y483 AromaticContact CE1-CE1 3.75Å; F257-Y483 HydrophobicContact CE1-CE1 3.75Å; F257-Y483 AromaticContact CE1-CE2 3.91Å; F257-Y483 HydrophobicContact CE1-CE2 3.91Å; F257-Y483 AromaticContact CE1-CG 3.84Å; F257-Y483 HydrophobicContact CE1-CG 3.84Å; F257-Y483 AromaticContact CE1-CZ 3.82Å; F257-Y483 HydrophobicContact CZ-CD1 4.09Å; F257-Y483 HydrophobicContact CZ-CD2 4.06Å; F257-Y483 HydrophobicContact CZ-CE2 4.47Å; F257-Y483 AromaticContact CZ-CG 3.83Å; F257-Y483 HydrophobicContact CZ-CG 3.83Å
258	A	98.7	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-44.1	170.2	0	0	0	0	0	111.3	T215 L242 L246 V254 M255 A261 L262	T215-A258 HydrophobicContact CG2-CB 3.98Å; L242-A258 HydrophobicContact CD2-CB 4.1Å; L246-A258 HydrophobicContact CD2-CB 4.12Å; V254-A258 VanDerWaalsContact O-CB 3.29Å; V254-A258 WeakPolarHBondContact O-CB 3.37Å; V254-A258 PolarHBondContact O-N 3.03Å; M255-A258 PolarHBondContact O-N 3.36Å; A258-A261 PolarHBondContact O-N 2.81Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 2.81Å
259	L	98.7	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-49.2	174.5	175.2	52	0	0	0	111	L246 M255 L256 A261 L262 E263 L284 C304	L246-L259 HydrophobicContact CD2-CB 3.94Å; M255-L259 WeakPolarHBondContact O-CB 3.49Å; M255-L259 PolarHBondContact O-N 3.49Å; L256-L259 PolarHBondContact O-N 3.16Å; L259-A261 VanDerWaalsContact C-N 3.29Å; L259-A261 PolarHBondContact O-N 3.28Å; L259-L262 PolarHBondContact O-N 2.9Å; L259-L262 VanDerWaalsContact O-N 3.16Å; L259-E263 HydrophobicContact CD1-CG 4.32Å; L259-E263 WeakPolarHBondContact O-CG 3.5Å; L259-E263 PolarHBondContact O-N 3.36Å; L259-L284 HydrophobicContact CD1-CD1 3.92Å; L259-L284 HydrophobicContact CD1-CD2 3.7Å; L259-L284 HydrophobicContact CD1-CG 4.45Å; L259-L284 HydrophobicContact CD2-CD2 3.92Å; L259-L284 HydrophobicContact CG-CD2 4.37Å; L259-C304 HydrophobicContact CD2-CB 3.54Å; L259-C304 HydrophobicContact CG-CB 4.4Å
260	I	98.4	Very high	96.8	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-58	-44.2	176.9	-66.9	163.1	0	0	0	110.4	L256 F257 L262 E263 K264 D355 Y483	L256-I260 HydrophobicContact CD1-CD1 4.06Å; L256-I260 HydrophobicContact CG-CD1 3.97Å; L256-I260 VanDerWaalsContact O-CG1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.44Å; L256-I260 PolarHBondContact O-N 3.43Å; F257-I260 HydrophobicContact CD1-CD1 4.41Å; I260-L262 PolarHBondContact O-N 3.06Å; I260-E263 WeakPolarHBondContact O-CB 3.47Å; I260-E263 PolarHBondContact O-N 2.65Å; I260-K264 HydrophobicContact CG2-CG 4.36Å; I260-K264 WeakPolarHBondContact O-CG 3.4Å; I260-K264 PolarHBondContact O-N 3.3Å; I260-D355 VanDerWaalsContact CD1-OD1 3.27Å; I260-D355 WeakPolarHBondContact CD1-OD1 3.39Å; I260-D355 HydrophobicContact CG1-CB 4.47Å; I260-D355 HydrophobicContact CG2-CB 4.39Å; I260-Y483 HydrophobicContact CD1-CD1 3.99Å; I260-Y483 HydrophobicContact CD1-CE1 4.27Å; I260-Y483 HydrophobicContact CG2-CE1 4.23Å
261	A	98.5	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-44.5	177	0	0	0	0	0	112.3	L218 L242 F257 A258 L259 E263 K264 F265	L218-A261 HydrophobicContact CB-CB 4.47Å; L242-A261 HydrophobicContact CD1-CB 4.43Å; L242-A261 HydrophobicContact CD2-CB 3.97Å; F257-A261 VanDerWaalsContact O-CB 3.32Å; F257-A261 WeakPolarHBondContact O-CB 3.15Å; F257-A261 PolarHBondContact O-N 3Å; A258-A261 PolarHBondContact O-N 2.81Å; L259-A261 VanDerWaalsContact C-N 3.29Å; L259-A261 PolarHBondContact O-N 3.28Å; A261-E263 VanDerWaalsContact C-N 3.31Å; A261-E263 PolarHBondContact O-N 3.17Å; A261-K264 PolarHBondContact O-N 3.46Å; A261-K264 VanDerWaalsContact O-N 3.16Å; A261-F265 WeakPolarHBondContact O-CD2 3.44Å; A261-F265 PolarHBondContact O-N 3.11Å
262	L	98.7	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-37.8	175.9	-71.5	161.4	0	0	0	112.2	L239 L242 L243 L246 A258 L259 I260 S266 V275 I280 F313	L239-L262 HydrophobicContact CD1-CD2 3.83Å; L242-L262 HydrophobicContact CB-CD1 4.02Å; L242-L262 HydrophobicContact CB-CD2 3.88Å; L242-L262 HydrophobicContact CB-CG 3.92Å; L242-L262 HydrophobicContact CD1-CD2 3.9Å; L242-L262 HydrophobicContact CD1-CG 4.11Å; L243-L262 HydrophobicContact CD2-CD1 4.27Å; L246-L262 HydrophobicContact CD1-CD1 3.75Å; L246-L262 HydrophobicContact CG-CD1 4.47Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 2.81Å; L259-L262 PolarHBondContact O-N 2.9Å; L259-L262 VanDerWaalsContact O-N 3.16Å; I260-L262 PolarHBondContact O-N 3.06Å; L262-S266 WeakPolarHBondContact O-CB 3.32Å; L262-S266 PolarHBondContact O-N 3.16Å; L262-S266 VanDerWaalsContact O-N 3.12Å; L262-S266 PolarHBondContact O-OG 3.47Å; L262-V275 HydrophobicContact CB-CG1 4.41Å; L262-V275 HydrophobicContact CD2-CG1 3.97Å; L262-V275 HydrophobicContact CD2-CG2 4.06Å; L262-I280 HydrophobicContact CB-CD1 3.96Å; L262-I280 HydrophobicContact CD1-CD1 3.78Å; L262-I280 HydrophobicContact CG-CD1 4.31Å; L262-F313 HydrophobicContact CB-CZ 4.46Å
263	E	97.9	Very high	97	Very high	15 Å²	15	27.5 Å²	27.5	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-44.9	171.9	-67.8	-179.4	168	0	0	111.9	L259 I260 A261 S266 Q267 S308 L312 F313 K344	L259-E263 HydrophobicContact CD1-CG 4.32Å; L259-E263 WeakPolarHBondContact O-CG 3.5Å; L259-E263 PolarHBondContact O-N 3.36Å; I260-E263 WeakPolarHBondContact O-CB 3.47Å; I260-E263 PolarHBondContact O-N 2.65Å; A261-E263 VanDerWaalsContact C-N 3.31Å; A261-E263 PolarHBondContact O-N 3.17Å; E263-S266 CarbonylContact O-C 3.59Å; E263-S266 PolarHBondContact O-N 3.25Å; E263-Q267 PolarHBondContact O-N 3.08Å; E263-S308 PolarHBondContact OE1-OG 2.72Å; E263-L312 HydrophobicContact CB-CD2 4.04Å; E263-L312 HydrophobicContact CG-CD2 3.93Å; E263-F313 HydrophobicContact CG-CE2 4.21Å; E263-K344 VanDerWaalsContact CD-NZ 3.33Å; E263-K344 IonicContact OE1-NZ 3.6Å; E263-K344 PolarHBondContact OE1-NZ 3.43Å; E263-K344 IonicContact OE2-NZ 3.65Å; E263-K344 PolarHBondContact OE2-NZ 3.19Å
264	K	97.2	Very high	97	Very high	14 Å²	14	29.8 Å²	29.8	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-44.2	178.5	-63.6	-57.7	-177.6	161.2	0	111.9	A222 E223 I260 A261 S266 Q267 D355	A222-K264 HydrophobicContact CB-CB 3.83Å; E223-K264 HydrophobicContact CB-CB 4.49Å; E223-K264 HydrophobicContact CB-CD 4.12Å; E223-K264 HydrophobicContact CB-CG 4.45Å; E223-K264 HydrophobicContact CG-CD 4.37Å; E223-K264 IonicContact OE1-NZ 2.84Å; E223-K264 PolarHBondContact OE1-NZ 2.76Å; E223-K264 WeakPolarHBondContact OE2-CE 3.32Å; E223-K264 IonicContact OE2-NZ 3.23Å; E223-K264 PolarHBondContact OE2-NZ 3.03Å; I260-K264 HydrophobicContact CG2-CG 4.36Å; I260-K264 WeakPolarHBondContact O-CG 3.4Å; I260-K264 PolarHBondContact O-N 3.3Å; A261-K264 PolarHBondContact O-N 3.46Å; A261-K264 VanDerWaalsContact O-N 3.16Å; K264-S266 PolarHBondContact O-N 3.49Å; K264-Q267 VanDerWaalsContact O-CB 3.29Å; K264-Q267 WeakPolarHBondContact O-CB 3.45Å; K264-Q267 VanDerWaalsContact O-CG 3.31Å; K264-Q267 WeakPolarHBondContact O-CG 3.46Å; K264-Q267 PolarHBondContact O-N 2.59Å; K264-Q267 VanDerWaalsContact O-N 3.08Å; K264-D355 VanDerWaalsContact CE-O 3.3Å; K264-D355 WeakPolarHBondContact CE-O 3.17Å; K264-D355 PolarHBondContact NZ-O 3.47Å
265	F	98.1	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57	-38.4	173.5	-82.8	-66.1	0	0	0	111.8	L218 A222 L233 L234 L242 A261 Q267 T268 N271	L218-F265 HydrophobicContact CB-CE2 4.25Å; A222-F265 HydrophobicContact CB-CB 4.32Å; A222-F265 HydrophobicContact CB-CD1 3.51Å; A222-F265 HydrophobicContact CB-CD2 3.83Å; A222-F265 HydrophobicContact CB-CE1 3.65Å; A222-F265 HydrophobicContact CB-CE2 3.94Å; A222-F265 HydrophobicContact CB-CG 3.61Å; A222-F265 HydrophobicContact CB-CZ 3.86Å; L233-F265 HydrophobicContact CB-CE1 4.22Å; L233-F265 HydrophobicContact CD2-CE1 4.02Å; L233-F265 HydrophobicContact CD2-CZ 3.94Å; L233-F265 HydrophobicContact CG-CE1 4.06Å; L233-F265 HydrophobicContact CG-CZ 3.96Å; L234-F265 HydrophobicContact CB-CD1 3.81Å; L234-F265 HydrophobicContact CB-CE1 3.82Å; L234-F265 HydrophobicContact CB-CG 4.39Å; L234-F265 HydrophobicContact CB-CZ 4.42Å; L234-F265 HydrophobicContact CD1-CB 4.49Å; L234-F265 HydrophobicContact CD1-CD1 4.14Å; L234-F265 HydrophobicContact CD1-CD2 3.8Å; L234-F265 HydrophobicContact CD1-CE1 4.3Å; L234-F265 HydrophobicContact CD1-CE2 3.99Å; L234-F265 HydrophobicContact CD1-CG 3.89Å; L234-F265 HydrophobicContact CD1-CZ 4.23Å; L234-F265 HydrophobicContact CD2-CB 4.24Å; L234-F265 HydrophobicContact CD2-CD1 4.4Å; L234-F265 HydrophobicContact CD2-CG 4.31Å; L234-F265 HydrophobicContact CG-CD1 4.33Å; L234-F265 HydrophobicContact CG-CG 4.42Å; L242-F265 HydrophobicContact CD1-CD2 4.04Å; L242-F265 HydrophobicContact CD1-CE2 3.84Å; A261-F265 WeakPolarHBondContact O-CD2 3.44Å; A261-F265 PolarHBondContact O-N 3.11Å; F265-Q267 PolarHBondContact O-N 3.19Å; F265-Q267 VanDerWaalsContact O-N 3.16Å; F265-T268 PolarHBondContact O-N 3.17Å; F265-T268 PolarHBondContact O-OG1 3.24Å; F265-T268 VanDerWaalsContact O-OG1 3.09Å; F265-N271 HydrophobicContact CB-CB 4.33Å; F265-N271 WeakPolarHBondContact O-CB 3.39Å
266	S	96.9	Very high	97	Very high	6 Å²	6	32 Å²	32	4%	0.042	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	7.2	-179.1	-58.9	0	0	0	0	114.6	L262 E263 K264 T268 F313	L262-S266 WeakPolarHBondContact O-CB 3.32Å; L262-S266 PolarHBondContact O-N 3.16Å; L262-S266 VanDerWaalsContact O-N 3.12Å; L262-S266 PolarHBondContact O-OG 3.47Å; E263-S266 CarbonylContact O-C 3.59Å; E263-S266 PolarHBondContact O-N 3.25Å; K264-S266 PolarHBondContact O-N 3.49Å; S266-T268 VanDerWaalsContact C-N 3.26Å; S266-F313 VanDerWaalsContact OG-CE1 3.27Å; S266-F313 WeakPolarHBondContact OG-CE1 3.43Å; S266-F313 WeakPolarHBondContact OG-CZ 3.49Å
267	Q	92.8	Very high	96.8	Very high	105 Å²	105	39.8 Å²	39.8	49%	0.491	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.9	166.9	-66.6	177.9	-7.7	0	0	111.9	E263 K264 F265	E263-Q267 PolarHBondContact O-N 3.08Å; K264-Q267 VanDerWaalsContact O-CB 3.29Å; K264-Q267 WeakPolarHBondContact O-CB 3.45Å; K264-Q267 VanDerWaalsContact O-CG 3.31Å; K264-Q267 WeakPolarHBondContact O-CG 3.46Å; K264-Q267 PolarHBondContact O-N 2.59Å; K264-Q267 VanDerWaalsContact O-N 3.08Å; F265-Q267 PolarHBondContact O-N 3.19Å; F265-Q267 VanDerWaalsContact O-N 3.16Å
268	T	93.3	Very high	96.8	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	22%	0.216	C	C	.	.	S	Bend	trans	-94.5	143.3	172.2	61	0	0	0	0	110.9	A226 F265 S266 E270 N271 K272	A226-T268 HydrophobicContact CB-CG2 4.49Å; F265-T268 PolarHBondContact O-N 3.17Å; F265-T268 PolarHBondContact O-OG1 3.24Å; F265-T268 VanDerWaalsContact O-OG1 3.09Å; S266-T268 VanDerWaalsContact C-N 3.26Å; T268-E270 PolarHBondContact O-N 3.06Å; T268-N271 WeakPolarHBondContact OG1-CB 3.43Å; T268-N271 PolarHBondContact OG1-ND2 3.4Å; T268-K272 WeakPolarHBondContact O-CB 3.31Å; T268-K272 PolarHBondContact O-N 3.07Å
269	S	91.9	Very high	96.6	Very high	90 Å²	90	42.7 Å²	42.7	63%	0.629	23%	0.231	S	C	*	.	H	α-helix	trans	-61.7	-42	-172.8	-61.7	0	0	0	0	112.9	K272 L273	S269-K272 PolarHBondContact O-N 3.35Å; S269-L273 WeakPolarHBondContact O-CG 3.37Å; S269-L273 PolarHBondContact O-N 2.96Å
270	E	95.3	Very high	96.6	Very high	100 Å²	100	42.8 Å²	42.8	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-48.1	-176.5	-64.4	87.6	158.7	0	0	111.9	I231 T268 K272 L273 T274	I231-E270 HydrophobicContact CD1-CB 3.85Å; I231-E270 HydrophobicContact CD1-CG 3.93Å; I231-E270 HydrophobicContact CG1-CB 4.07Å; T268-E270 PolarHBondContact O-N 3.06Å; E270-K272 VanDerWaalsContact C-N 3.33Å; E270-L273 PolarHBondContact O-N 3.33Å; E270-T274 PolarHBondContact O-N 3.22Å; E270-T274 PolarHBondContact O-OG1 2.8Å
271	N	97.6	Very high	96.6	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-36.3	176.1	-74.7	-16	0	0	0	110.9	S230 L234 F265 T268 L273 T274 V275	S230-N271 PolarHBondContact O-ND2 2.97Å; S230-N271 PolarHBondContact OG-ND2 3.48Å; L234-N271 HydrophobicContact CD2-CB 3.76Å; F265-N271 HydrophobicContact CB-CB 4.33Å; F265-N271 WeakPolarHBondContact O-CB 3.39Å; T268-N271 WeakPolarHBondContact OG1-CB 3.43Å; T268-N271 PolarHBondContact OG1-ND2 3.4Å; N271-L273 VanDerWaalsContact C-N 3.33Å; N271-L273 PolarHBondContact O-N 2.73Å; N271-T274 PolarHBondContact O-N 3.29Å; N271-V275 WeakPolarHBondContact O-CB 3.43Å; N271-V275 VanDerWaalsContact O-CG2 3.27Å; N271-V275 WeakPolarHBondContact O-CG2 3.11Å; N271-V275 PolarHBondContact O-N 3.45Å
272	K	96.6	Very high	96.5	Very high	82 Å²	82	47.9 Å²	47.9	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-45.8	174.3	-178	174.1	176.7	172.8	0	111.9	T268 S269 E270 S276 L312	T268-K272 WeakPolarHBondContact O-CB 3.31Å; T268-K272 PolarHBondContact O-N 3.07Å; S269-K272 PolarHBondContact O-N 3.35Å; E270-K272 VanDerWaalsContact C-N 3.33Å; K272-S276 WeakPolarHBondContact O-CB 3.5Å; K272-S276 PolarHBondContact O-N 3.45Å; K272-S276 PolarHBondContact O-OG 2.98Å; K272-L312 HydrophobicContact CD-CD1 4.13Å
273	L	96.2	Very high	96.5	Very high	109 Å²	109	51 Å²	51	57%	0.571	27%	0.272	S	S	*	.	H	α-helix	trans	-59.8	-51.3	175.4	-72.1	169.3	0	0	0	110.5	S269 E270 N271 V275 S276 E277	S269-L273 WeakPolarHBondContact O-CG 3.37Å; S269-L273 PolarHBondContact O-N 2.96Å; E270-L273 PolarHBondContact O-N 3.33Å; N271-L273 VanDerWaalsContact C-N 3.33Å; N271-L273 PolarHBondContact O-N 2.73Å; L273-V275 VanDerWaalsContact C-N 3.34Å; L273-V275 PolarHBondContact O-N 3.43Å; L273-S276 PolarHBondContact O-N 2.86Å; L273-S276 VanDerWaalsContact O-N 3.11Å; L273-E277 WeakPolarHBondContact O-CG 3.47Å; L273-E277 PolarHBondContact O-N 2.96Å
274	T	97.7	Very high	96.5	Very high	62 Å²	62	50.3 Å²	50.3	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-55.3	-46.3	179.8	-54.9	0	0	0	0	112.5	L239 E270 N271	L239-T274 HydrophobicContact CD2-CG2 3.97Å; E270-T274 PolarHBondContact O-N 3.22Å; E270-T274 PolarHBondContact O-OG1 2.8Å; N271-T274 PolarHBondContact O-N 3.29Å
275	V	98.1	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-40.6	178.3	177.4	0	0	0	0	111	L234 L239 L262 N271 L273 E277 S278 I280 F313	L234-V275 HydrophobicContact CD2-CG2 3.76Å; L239-V275 HydrophobicContact CD1-CG2 4.09Å; L262-V275 HydrophobicContact CB-CG1 4.41Å; L262-V275 HydrophobicContact CD2-CG1 3.97Å; L262-V275 HydrophobicContact CD2-CG2 4.06Å; N271-V275 WeakPolarHBondContact O-CB 3.43Å; N271-V275 VanDerWaalsContact O-CG2 3.27Å; N271-V275 WeakPolarHBondContact O-CG2 3.11Å; N271-V275 PolarHBondContact O-N 3.45Å; L273-V275 VanDerWaalsContact C-N 3.34Å; L273-V275 PolarHBondContact O-N 3.43Å; V275-E277 VanDerWaalsContact C-N 3.32Å; V275-E277 PolarHBondContact O-N 3.33Å; V275-S278 VanDerWaalsContact O-CB 3.27Å; V275-S278 WeakPolarHBondContact O-CB 3.39Å; V275-S278 PolarHBondContact O-N 3.03Å; V275-S278 VanDerWaalsContact O-N 3.13Å; V275-S278 PolarHBondContact O-OG 3.23Å; V275-I280 HydrophobicContact CG1-CB 4.45Å; V275-I280 HydrophobicContact CG1-CD1 3.52Å; V275-I280 HydrophobicContact CG1-CG2 4.14Å; V275-I280 WeakPolarHBondContact O-CG2 3.3Å; V275-F313 HydrophobicContact CB-CE1 4.09Å; V275-F313 HydrophobicContact CG1-CD1 4.15Å; V275-F313 HydrophobicContact CG1-CE1 3.41Å; V275-F313 VanDerWaalsContact CG1-CE1 3.41Å; V275-F313 HydrophobicContact CG1-CZ 3.69Å
276	S	96.5	Very high	96.4	Very high	48 Å²	48	55.3 Å²	55.3	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-29.5	-178	-58	0	0	0	0	113.1	K272 L273 S278	K272-S276 WeakPolarHBondContact O-CB 3.5Å; K272-S276 PolarHBondContact O-N 3.45Å; K272-S276 PolarHBondContact O-OG 2.98Å; L273-S276 PolarHBondContact O-N 2.86Å; L273-S276 VanDerWaalsContact O-N 3.11Å; S276-S278 PolarHBondContact O-N 3.16Å
277	E	96.3	Very high	96.4	Very high	166 Å²	166	55.1 Å²	55.1	78%	0.776	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.7	174.9	-70.8	175.7	174.3	0	0	113	L273 V275	L273-E277 WeakPolarHBondContact O-CG 3.47Å; L273-E277 PolarHBondContact O-N 2.96Å; V275-E277 VanDerWaalsContact C-N 3.32Å; V275-E277 PolarHBondContact O-N 3.33Å
278	S	97.1	Very high	96.6	Very high	26 Å²	26	51.4 Å²	51.4	18%	0.182	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-177.7	177.9	84	0	0	0	0	113.1	V275 S276 I280	V275-S278 VanDerWaalsContact O-CB 3.27Å; V275-S278 WeakPolarHBondContact O-CB 3.39Å; V275-S278 PolarHBondContact O-N 3.03Å; V275-S278 VanDerWaalsContact O-N 3.13Å; V275-S278 PolarHBondContact O-OG 3.23Å; S276-S278 PolarHBondContact O-N 3.16Å; S278-I280 PolarHBondContact O-N 2.93Å; S278-I280 VanDerWaalsContact O-N 3.13Å; S278-I280 PolarHBondContact OG-N 2.82Å
279	S	95.8	Very high	96.8	Very high	45 Å²	45	54.6 Å²	54.6	32%	0.315	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	9.9	175.7	62.8	0	0	0	0	115	S281 D282 R283	S279-S281 PolarHBondContact O-N 3.01Å; S279-D282 PolarHBondContact O-N 2.84Å; S279-R283 WeakPolarHBondContact O-CG 3.2Å; S279-R283 PolarHBondContact O-N 3.17Å; S279-R283 VanDerWaalsContact O-N 3.15Å; S279-R283 PolarHBondContact OG-NE 3.18Å; S279-R283 VanDerWaalsContact OG-NE 3.15Å
280	I	98.1	Very high	97	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-46	-173.5	-168.5	170.4	0	0	0	112.7	L243 L246 L262 V275 S278 D282 R283 L284 F313	L243-I280 HydrophobicContact CD2-CB 3.77Å; L243-I280 HydrophobicContact CD2-CG1 4.22Å; L246-I280 HydrophobicContact CD1-CG1 4.27Å; L262-I280 HydrophobicContact CB-CD1 3.96Å; L262-I280 HydrophobicContact CD1-CD1 3.78Å; L262-I280 HydrophobicContact CG-CD1 4.31Å; V275-I280 HydrophobicContact CG1-CB 4.45Å; V275-I280 HydrophobicContact CG1-CD1 3.52Å; V275-I280 HydrophobicContact CG1-CG2 4.14Å; V275-I280 WeakPolarHBondContact O-CG2 3.3Å; S278-I280 PolarHBondContact O-N 2.93Å; S278-I280 VanDerWaalsContact O-N 3.13Å; S278-I280 PolarHBondContact OG-N 2.82Å; I280-D282 VanDerWaalsContact C-N 3.26Å; I280-D282 PolarHBondContact O-N 3.37Å; I280-R283 PolarHBondContact O-N 3Å; I280-R283 VanDerWaalsContact O-N 3.16Å; I280-L284 HydrophobicContact CD1-CD1 4.44Å; I280-L284 HydrophobicContact CG1-CD1 3.96Å; I280-L284 HydrophobicContact CG1-CG 4.07Å; I280-L284 VanDerWaalsContact O-CG 3.3Å; I280-L284 WeakPolarHBondContact O-CG 3.33Å; I280-L284 PolarHBondContact O-N 3.31Å; I280-F313 HydrophobicContact CD1-CD1 4.22Å; I280-F313 HydrophobicContact CD1-CD2 3.52Å; I280-F313 HydrophobicContact CD1-CE1 4.1Å; I280-F313 HydrophobicContact CD1-CE2 3.36Å; I280-F313 HydrophobicContact CD1-CG 3.95Å; I280-F313 HydrophobicContact CD1-CZ 3.68Å; I280-F313 HydrophobicContact CG1-CD2 4.17Å; I280-F313 HydrophobicContact CG1-CE2 4.46Å; I280-F313 HydrophobicContact CG1-CG 4.42Å; I280-F313 HydrophobicContact CG2-CB 4.11Å; I280-F313 HydrophobicContact CG2-CD1 4.06Å; I280-F313 HydrophobicContact CG2-CG 4Å
281	S	97.9	Very high	97.1	Very high	20 Å²	20	47.8 Å²	47.8	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-31.1	-176.9	63.9	0	0	0	0	112.1	S279 A285	S279-S281 PolarHBondContact O-N 3.01Å; S281-A285 WeakPolarHBondContact O-CB 3.45Å; S281-A285 PolarHBondContact O-N 3.4Å; S281-A285 VanDerWaalsContact O-N 3.11Å
282	D	96.9	Very high	96.9	Very high	91 Å²	91	54.1 Å²	54.1	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-68.1	-44.4	173.3	-67.1	-36.6	0	0	0	112.1	S279 I280 A285 K315	S279-D282 PolarHBondContact O-N 2.84Å; I280-D282 VanDerWaalsContact C-N 3.26Å; I280-D282 PolarHBondContact O-N 3.37Å; D282-A285 PolarHBondContact O-N 3.37Å; D282-K315 IonicContact OD1-NZ 2.75Å; D282-K315 PolarHBondContact OD1-NZ 3.35Å
283	R	97.4	Very high	96.9	Very high	66 Å²	66	53.5 Å²	53.5	25%	0.249	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-46.3	177.7	-65.6	175.5	-177.5	-100.2	4.1	111.2	L243 E244 L246 S279 I280 A285 V286 L287	L243-R283 WeakPolarHBondContact O-CD 3.27Å; L243-R283 PolarHBondContact O-NE 2.92Å; L243-R283 PolarHBondContact O-NH1 3.21Å; E244-R283 IonicContact OE2-CZ 3.31Å; E244-R283 IonicContact OE2-NH1 3.13Å; E244-R283 IonicContact OE2-NH2 2.88Å; E244-R283 PolarHBondContact OE2-NH2 2.86Å; L246-R283 HydrophobicContact CB-CB 4.34Å; S279-R283 WeakPolarHBondContact O-CG 3.2Å; S279-R283 PolarHBondContact O-N 3.17Å; S279-R283 VanDerWaalsContact O-N 3.15Å; S279-R283 PolarHBondContact OG-NE 3.18Å; S279-R283 VanDerWaalsContact OG-NE 3.15Å; I280-R283 PolarHBondContact O-N 3Å; I280-R283 VanDerWaalsContact O-N 3.16Å; R283-A285 VanDerWaalsContact C-N 3.3Å; R283-A285 PolarHBondContact O-N 3.42Å; R283-V286 PolarHBondContact O-N 3.31Å; R283-V286 VanDerWaalsContact O-N 3.16Å; R283-L287 PolarHBondContact O-N 2.86Å
284	L	98.3	Very high	96.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-32.8	179.3	-63.1	-174.6	0	0	0	112.8	L246 L259 I280 V286 L287 E288 L309 F313	L246-L284 HydrophobicContact CD1-CD2 4.2Å; L259-L284 HydrophobicContact CD1-CD1 3.92Å; L259-L284 HydrophobicContact CD1-CD2 3.7Å; L259-L284 HydrophobicContact CD1-CG 4.45Å; L259-L284 HydrophobicContact CD2-CD2 3.92Å; L259-L284 HydrophobicContact CG-CD2 4.37Å; I280-L284 HydrophobicContact CD1-CD1 4.44Å; I280-L284 HydrophobicContact CG1-CD1 3.96Å; I280-L284 HydrophobicContact CG1-CG 4.07Å; I280-L284 VanDerWaalsContact O-CG 3.3Å; I280-L284 WeakPolarHBondContact O-CG 3.33Å; I280-L284 PolarHBondContact O-N 3.31Å; L284-V286 PolarHBondContact O-N 2.93Å; L284-L287 HydrophobicContact CD2-CD1 4.36Å; L284-L287 PolarHBondContact O-N 3.34Å; L284-L287 VanDerWaalsContact O-N 3.14Å; L284-E288 PolarHBondContact O-N 3.03Å; L284-L309 HydrophobicContact CB-CD1 3.99Å; L284-L309 HydrophobicContact CB-CD2 3.91Å; L284-L309 HydrophobicContact CB-CG 3.81Å; L284-F313 HydrophobicContact CD1-CB 4.41Å; L284-F313 HydrophobicContact CD1-CD2 3.78Å
285	A	97.4	Very high	96.8	Very high	28 Å²	28	56.7 Å²	56.7	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-24.6	177.1	0	0	0	0	0	113.1	S281 D282 R283 E288 L309 K315	S281-A285 WeakPolarHBondContact O-CB 3.45Å; S281-A285 PolarHBondContact O-N 3.4Å; S281-A285 VanDerWaalsContact O-N 3.11Å; D282-A285 PolarHBondContact O-N 3.37Å; R283-A285 VanDerWaalsContact C-N 3.3Å; R283-A285 PolarHBondContact O-N 3.42Å; A285-E288 WeakPolarHBondContact O-CG 3.26Å; A285-L309 HydrophobicContact CB-CD1 4.49Å; A285-K315 HydrophobicContact CB-CD 3.69Å
286	V	96.6	Very high	96.8	Very high	91 Å²	91	59.4 Å²	59.4	55%	0.552	32%	0.318	S	S	*	.	H	α-helix	trans	-77.5	-47	170.6	-179.6	0	0	0	0	109.9	R283 L284 E288 S289	R283-V286 PolarHBondContact O-N 3.31Å; R283-V286 VanDerWaalsContact O-N 3.16Å; L284-V286 PolarHBondContact O-N 2.93Å; V286-E288 PolarHBondContact O-N 3.17Å; V286-S289 WeakPolarHBondContact O-CB 3.4Å; V286-S289 PolarHBondContact O-N 3.48Å; V286-S289 PolarHBondContact O-OG 3.45Å
287	L	97.8	Very high	96.7	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-28.2	-174.5	-65	177.4	0	0	0	113.9	L246 M255 R283 L284 S289 W290 V301 G302 S305	L246-L287 HydrophobicContact CB-CD1 4.27Å; L246-L287 HydrophobicContact CD2-CD1 4.44Å; M255-L287 HydrophobicContact SD-CD2 4.36Å; R283-L287 PolarHBondContact O-N 2.86Å; L284-L287 HydrophobicContact CD2-CD1 4.36Å; L284-L287 PolarHBondContact O-N 3.34Å; L284-L287 VanDerWaalsContact O-N 3.14Å; L287-S289 PolarHBondContact O-N 3.48Å; L287-W290 HydrophobicContact CD2-CD2 4.33Å; L287-W290 HydrophobicContact CD2-CE3 4.09Å; L287-W290 HydrophobicContact CD2-CH2 3.83Å; L287-W290 HydrophobicContact CD2-CZ2 4.07Å; L287-W290 HydrophobicContact CD2-CZ3 3.84Å; L287-W290 WeakPolarHBondContact O-CB 3.39Å; L287-W290 PolarHBondContact O-N 2.9Å; L287-V301 HydrophobicContact CB-CG1 4.16Å; L287-V301 HydrophobicContact CD1-CG1 3.96Å; L287-V301 HydrophobicContact CD2-CG1 4.2Å; L287-V301 HydrophobicContact CG-CG1 4.34Å; L287-G302 VanDerWaalsContact O-CA 3.25Å; L287-G302 WeakPolarHBondContact O-CA 3.41Å; L287-S305 VanDerWaalsContact CB-OG 3.31Å; L287-S305 WeakPolarHBondContact CB-OG 3.42Å
288	E	96.9	Very high	96.8	Very high	27 Å²	27	55.4 Å²	55.4	13%	0.126	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.3	-22.7	178	71.2	167	125.2	0	0	113	L284 A285 V286 W290 A291 Q306 L309 R318 K324	L284-E288 PolarHBondContact O-N 3.03Å; A285-E288 WeakPolarHBondContact O-CG 3.26Å; V286-E288 PolarHBondContact O-N 3.17Å; E288-W290 PolarHBondContact O-N 3.26Å; E288-W290 VanDerWaalsContact O-N 3.17Å; E288-A291 WeakPolarHBondContact O-CB 3.36Å; E288-A291 PolarHBondContact O-N 3.49Å; E288-Q306 HydrophobicContact CB-CB 4.1Å; E288-L309 HydrophobicContact CB-CD1 4.05Å; E288-L309 HydrophobicContact CG-CD1 4.14Å; E288-L309 WeakPolarHBondContact OE1-CD1 3.44Å; E288-R318 IonicContact OE1-CZ 3.29Å; E288-R318 IonicContact OE1-NE 2.92Å; E288-R318 PolarHBondContact OE1-NE 3.02Å; E288-R318 IonicContact OE1-NH2 3.15Å; E288-R318 IonicContact OE2-CZ 3.51Å; E288-R318 IonicContact OE2-NE 3.48Å; E288-R318 PolarHBondContact OE2-NE 3.32Å; E288-R318 IonicContact OE2-NH2 3.43Å; E288-R318 PolarHBondContact OE2-NH2 3.03Å; E288-K324 IonicContact OE2-NZ 3.51Å; E288-K324 PolarHBondContact OE2-NZ 2.96Å
289	S	96	Very high	96.8	Very high	90 Å²	90	55.3 Å²	55.3	63%	0.629	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.6	-16.5	174.9	68.4	0	0	0	0	113.1	V286 L287 A291	V286-S289 WeakPolarHBondContact O-CB 3.4Å; V286-S289 PolarHBondContact O-N 3.48Å; V286-S289 PolarHBondContact O-OG 3.45Å; L287-S289 PolarHBondContact O-N 3.48Å; S289-A291 VanDerWaalsContact C-N 3.31Å
290	W	97.4	Very high	97	Very high	38 Å²	38	53.7 Å²	53.7	14%	0.144	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-85.4	-0.2	178.7	-61.5	-0.2	0	0	0	113.5	M255 L287 E288 D292 H293 K298 R299 V301	M255-W290 HydrophobicContact CE-CH2 3.75Å; M255-W290 HydrophobicContact CE-CZ3 4.08Å; M255-W290 HydrophobicContact SD-CH2 3.89Å; M255-W290 HydrophobicContact SD-CZ3 3.58Å; M255-W290 VanDerWaalsContact SD-CZ3 3.58Å; L287-W290 HydrophobicContact CD2-CD2 4.33Å; L287-W290 HydrophobicContact CD2-CE3 4.09Å; L287-W290 HydrophobicContact CD2-CH2 3.83Å; L287-W290 HydrophobicContact CD2-CZ2 4.07Å; L287-W290 HydrophobicContact CD2-CZ3 3.84Å; L287-W290 WeakPolarHBondContact O-CB 3.39Å; L287-W290 PolarHBondContact O-N 2.9Å; E288-W290 PolarHBondContact O-N 3.26Å; E288-W290 VanDerWaalsContact O-N 3.17Å; W290-D292 PolarHBondContact O-N 3.46Å; W290-H293 HydrophobicContact CB-CB 4.22Å; W290-H293 WeakPolarHBondContact O-CB 3.49Å; W290-H293 PolarHBondContact O-N 3.41Å; W290-K298 HydrophobicContact CB-CB 4.33Å; W290-K298 WeakPolarHBondContact CB-O 3.4Å; W290-K298 HydrophobicContact CD2-CB 4.13Å; W290-K298 HydrophobicContact CD2-CD 4.29Å; W290-K298 HydrophobicContact CD2-CG 4.31Å; W290-K298 HydrophobicContact CE3-CB 3.7Å; W290-K298 HydrophobicContact CE3-CD 4.15Å; W290-K298 HydrophobicContact CE3-CG 3.74Å; W290-K298 HydrophobicContact CG-CB 4.43Å; W290-K298 HydrophobicContact CH2-CD 4.49Å; W290-K298 HydrophobicContact CZ3-CB 4.34Å; W290-K298 HydrophobicContact CZ3-CD 4.25Å; W290-K298 HydrophobicContact CZ3-CG 3.87Å; W290-R299 WeakPolarHBondContact O-CA 3.13Å; W290-V301 HydrophobicContact CE3-CB 4.15Å; W290-V301 HydrophobicContact CE3-CG1 4.06Å; W290-V301 HydrophobicContact CZ3-CG1 4.27Å
291	A	95.9	Very high	97	Very high	8 Å²	8	53.7 Å²	53.7	7%	0.066	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25	-174.4	0	0	0	0	0	114.4	E288 S289 R299	E288-A291 WeakPolarHBondContact O-CB 3.36Å; E288-A291 PolarHBondContact O-N 3.49Å; S289-A291 VanDerWaalsContact C-N 3.31Å; A291-R299 VanDerWaalsContact O-CG 3.29Å; A291-R299 WeakPolarHBondContact O-CG 3.36Å
292	D	93.6	Very high	97	Very high	136 Å²	136	52.7 Å²	52.7	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	19.9	177.2	-60.4	-59.7	0	0	0	112.6	W290	W290-D292 PolarHBondContact O-N 3.46Å
293	H	96.9	Very high	97.1	Very high	69 Å²	69	48.7 Å²	48.7	32%	0.319	25%	0.249	S	C	.	.			trans	-67.8	144.7	-177.5	-166.3	-77.5	0	0	0	111.5	W290 D295 K298	W290-H293 HydrophobicContact CB-CB 4.22Å; W290-H293 WeakPolarHBondContact O-CB 3.49Å; W290-H293 PolarHBondContact O-N 3.41Å; H293-D295 VanDerWaalsContact CE1-CB 3.44Å; H293-D295 WeakPolarHBondContact CE1-CB 3.43Å; H293-D295 WeakPolarHBondContact ND1-CB 3.29Å; H293-D295 PolarHBondContact ND1-N 2.7Å; H293-K298 HydrophobicContact CB-CB 4.08Å
294	Q	95.6	Very high	97.1	Very high	167 Å²	167	45.5 Å²	45.5	78%	0.78	24%	0.237	S	C	*	.	S	Bend	trans	-69.7	-33.9	-178.1	-64.8	-62.8	-38.6	0	0	113.1	Y296	Q294-Y296 PolarHBondContact O-N 2.94Å
295	D	97	Very high	97.2	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	24%	0.237	S	C	.	.	S	Bend	trans	-67.9	117.7	166.4	-176.3	-67	0	0	0	110.3	H293 L297 K298 R299	H293-D295 VanDerWaalsContact CE1-CB 3.44Å; H293-D295 WeakPolarHBondContact CE1-CB 3.43Å; H293-D295 WeakPolarHBondContact ND1-CB 3.29Å; H293-D295 PolarHBondContact ND1-N 2.7Å; D295-L297 VanDerWaalsContact C-N 3.31Å; D295-L297 PolarHBondContact O-N 2.93Å; D295-L297 WeakPolarHBondContact OD1-CA 3.44Å; D295-L297 WeakPolarHBondContact OD1-CB 3.44Å; D295-L297 PolarHBondContact OD1-N 2.72Å; D295-K298 HydrophobicContact CB-CB 4.25Å; D295-K298 HydrophobicContact CB-CD 4.39Å; D295-K298 HydrophobicContact CB-CG 4.31Å; D295-K298 PolarHBondContact O-N 2.92Å; D295-K298 PolarHBondContact OD1-N 3.44Å; D295-R299 PolarHBondContact O-N 2.63Å
296	Y	96.8	Very high	97.2	Very high	57 Å²	57	45.5 Å²	45.5	22%	0.224	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-26.8	-175.9	-68.8	-69.7	0	0	0	114	Q294 Q300 V380 E436 G437	Q294-Y296 PolarHBondContact O-N 2.94Å; Y296-Q300 VanDerWaalsContact O-CG 3.24Å; Y296-Q300 WeakPolarHBondContact O-CG 3.31Å; Y296-Q300 PolarHBondContact O-N 3.39Å; Y296-Q300 VanDerWaalsContact O-N 3.13Å; Y296-Q300 PolarHBondContact O-NE2 3Å; Y296-Q300 VanDerWaalsContact O-NE2 3.13Å; Y296-V380 HydrophobicContact CD1-CB 4.33Å; Y296-V380 HydrophobicContact CD1-CG1 4.07Å; Y296-V380 HydrophobicContact CD1-CG2 4.19Å; Y296-V380 HydrophobicContact CE1-CG2 4.4Å; Y296-E436 HydrophobicContact CD2-CB 3.66Å; Y296-E436 HydrophobicContact CE2-CB 4.26Å; Y296-E436 HydrophobicContact CG-CB 4.06Å; Y296-G437 WeakPolarHBondContact OH-CA 3.39Å
297	L	95.7	Very high	97.2	Very high	65 Å²	65	44.6 Å²	44.6	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-71.9	-44.7	175	-66.1	172.9	0	0	0	110.4	P252 D295 R299 Q300 V301	P252-L297 HydrophobicContact CB-CB 3.88Å; D295-L297 VanDerWaalsContact C-N 3.31Å; D295-L297 PolarHBondContact O-N 2.93Å; D295-L297 WeakPolarHBondContact OD1-CA 3.44Å; D295-L297 WeakPolarHBondContact OD1-CB 3.44Å; D295-L297 PolarHBondContact OD1-N 2.72Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.26Å; L297-Q300 WeakPolarHBondContact O-CB 3.44Å; L297-Q300 PolarHBondContact O-N 3.13Å; L297-V301 PolarHBondContact O-N 3.29Å
298	K	97.7	Very high	97.2	Very high	65 Å²	65	44.5 Å²	44.5	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-38.3	173.9	-69	-172.9	175.7	-176.6	0	111.9	P252 W290 H293 D295 Q300 V301 G302	P252-K298 HydrophobicContact CB-CG 4.36Å; P252-K298 HydrophobicContact CG-CG 4.02Å; W290-K298 HydrophobicContact CB-CB 4.33Å; W290-K298 WeakPolarHBondContact CB-O 3.4Å; W290-K298 HydrophobicContact CD2-CB 4.13Å; W290-K298 HydrophobicContact CD2-CD 4.29Å; W290-K298 HydrophobicContact CD2-CG 4.31Å; W290-K298 HydrophobicContact CE3-CB 3.7Å; W290-K298 HydrophobicContact CE3-CD 4.15Å; W290-K298 HydrophobicContact CE3-CG 3.74Å; W290-K298 HydrophobicContact CG-CB 4.43Å; W290-K298 HydrophobicContact CH2-CD 4.49Å; W290-K298 HydrophobicContact CZ3-CB 4.34Å; W290-K298 HydrophobicContact CZ3-CD 4.25Å; W290-K298 HydrophobicContact CZ3-CG 3.87Å; H293-K298 HydrophobicContact CB-CB 4.08Å; D295-K298 HydrophobicContact CB-CB 4.25Å; D295-K298 HydrophobicContact CB-CD 4.39Å; D295-K298 HydrophobicContact CB-CG 4.31Å; D295-K298 PolarHBondContact O-N 2.92Å; D295-K298 PolarHBondContact OD1-N 3.44Å; K298-Q300 VanDerWaalsContact C-N 3.33Å; K298-Q300 PolarHBondContact O-N 2.87Å; K298-V301 PolarHBondContact O-N 2.89Å; K298-G302 PolarHBondContact O-N 3.46Å
299	R	98.2	Very high	97.3	Very high	25 Å²	25	43.3 Å²	43.3	9%	0.094	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-46.4	173.6	-168.9	178.8	172.3	165.7	0.3	112.1	W290 A291 D295 L297 V301 G302 F303 E351 E487	W290-R299 WeakPolarHBondContact O-CA 3.13Å; A291-R299 VanDerWaalsContact O-CG 3.29Å; A291-R299 WeakPolarHBondContact O-CG 3.36Å; D295-R299 PolarHBondContact O-N 2.63Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.26Å; R299-V301 PolarHBondContact O-N 3.47Å; R299-G302 PolarHBondContact O-N 3.15Å; R299-F303 VanDerWaalsContact O-CB 3.29Å; R299-F303 WeakPolarHBondContact O-CB 3.24Å; R299-F303 PolarHBondContact O-N 3.48Å; R299-E351 IonicContact CZ-OE1 2.98Å; R299-E351 IonicContact CZ-OE2 3.35Å; R299-E351 IonicContact NE-OE1 2.62Å; R299-E351 PolarHBondContact NE-OE1 3.02Å; R299-E351 IonicContact NE-OE2 2.65Å; R299-E351 PolarHBondContact NE-OE2 3.46Å; R299-E351 IonicContact NH2-OE1 2.92Å; R299-E351 PolarHBondContact NH2-OE1 3.07Å; R299-E351 IonicContact NH2-OE2 3.48Å; R299-E351 PolarHBondContact NH2-OE2 3.47Å; R299-E487 IonicContact CZ-OE2 2.66Å; R299-E487 IonicContact NH1-OE2 3.95Å; R299-E487 PolarHBondContact NH1-OE2 3.35Å; R299-E487 VanDerWaalsContact NH1-OE2 3.09Å; R299-E487 VanDerWaalsContact NH2-CD 3.25Å; R299-E487 IonicContact NH2-OE1 3.09Å; R299-E487 IonicContact NH2-OE2 3.2Å; R299-E487 PolarHBondContact NH2-OE2 3.2Å
300	Q	98.4	Very high	97.3	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-45.3	176.1	-68.3	171.3	72.9	0	0	112.1	L256 Y296 L297 K298 G302 F303 C304 V380 T381 Q485	L256-Q300 HydrophobicContact CD1-CB 4.2Å; L256-Q300 HydrophobicContact CD2-CB 3.87Å; Y296-Q300 VanDerWaalsContact O-CG 3.24Å; Y296-Q300 WeakPolarHBondContact O-CG 3.31Å; Y296-Q300 PolarHBondContact O-N 3.39Å; Y296-Q300 VanDerWaalsContact O-N 3.13Å; Y296-Q300 PolarHBondContact O-NE2 3Å; Y296-Q300 VanDerWaalsContact O-NE2 3.13Å; L297-Q300 WeakPolarHBondContact O-CB 3.44Å; L297-Q300 PolarHBondContact O-N 3.13Å; K298-Q300 VanDerWaalsContact C-N 3.33Å; K298-Q300 PolarHBondContact O-N 2.87Å; Q300-G302 PolarHBondContact O-N 3.28Å; Q300-F303 PolarHBondContact O-N 3.02Å; Q300-C304 PolarHBondContact O-N 3.4Å; Q300-V380 HydrophobicContact CG-CG1 3.85Å; Q300-T381 VanDerWaalsContact CD-CG2 3.41Å; Q300-T381 HydrophobicContact CG-CG2 4.31Å; Q300-Q485 VanDerWaalsContact CG-OE1 3.32Å
301	V	98.6	Very high	97.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-46.7	176.7	175.1	0	0	0	0	110.9	P252 M255 L256 L287 W290 L297 K298 R299 C304 S305	P252-V301 HydrophobicContact CB-CG2 4.39Å; P252-V301 VanDerWaalsContact O-CG2 3.26Å; P252-V301 WeakPolarHBondContact O-CG2 3.35Å; M255-V301 HydrophobicContact CB-CG1 4.32Å; M255-V301 HydrophobicContact CB-CG2 4.09Å; M255-V301 HydrophobicContact SD-CG1 4.39Å; L256-V301 HydrophobicContact CB-CG2 3.9Å; L287-V301 HydrophobicContact CB-CG1 4.16Å; L287-V301 HydrophobicContact CD1-CG1 3.96Å; L287-V301 HydrophobicContact CD2-CG1 4.2Å; L287-V301 HydrophobicContact CG-CG1 4.34Å; W290-V301 HydrophobicContact CE3-CB 4.15Å; W290-V301 HydrophobicContact CE3-CG1 4.06Å; W290-V301 HydrophobicContact CZ3-CG1 4.27Å; L297-V301 PolarHBondContact O-N 3.29Å; K298-V301 PolarHBondContact O-N 2.89Å; R299-V301 PolarHBondContact O-N 3.47Å; V301-C304 PolarHBondContact O-N 2.91Å; V301-S305 VanDerWaalsContact O-CB 3.29Å; V301-S305 WeakPolarHBondContact O-CB 3.49Å; V301-S305 PolarHBondContact O-N 2.72Å; V301-S305 PolarHBondContact O-OG 3.33Å
302	G	98.3	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-41.5	179.5	0	0	0	0	0	113.2	L287 K298 R299 Q300 S305 Q306	L287-G302 VanDerWaalsContact O-CA 3.25Å; L287-G302 WeakPolarHBondContact O-CA 3.41Å; K298-G302 PolarHBondContact O-N 3.46Å; R299-G302 PolarHBondContact O-N 3.15Å; Q300-G302 PolarHBondContact O-N 3.28Å; G302-S305 PolarHBondContact O-N 3.36Å; G302-Q306 VanDerWaalsContact O-CB 3.31Å; G302-Q306 WeakPolarHBondContact O-CB 3.46Å; G302-Q306 PolarHBondContact O-N 3.18Å
303	F	98.6	Very high	97.2	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-57.5	-51.8	174	177.1	-81.6	0	0	0	111	R299 Q300 Q306 W307 K344 E351 R353	R299-F303 VanDerWaalsContact O-CB 3.29Å; R299-F303 WeakPolarHBondContact O-CB 3.24Å; R299-F303 PolarHBondContact O-N 3.48Å; Q300-F303 PolarHBondContact O-N 3.02Å; F303-Q306 PolarHBondContact O-N 3.35Å; F303-W307 WeakPolarHBondContact O-CB 3.38Å; F303-W307 PolarHBondContact O-N 2.71Å; F303-K344 HydrophobicContact CE1-CB 3.78Å; F303-K344 HydrophobicContact CE1-CD 4.4Å; F303-K344 HydrophobicContact CZ-CB 4.11Å; F303-E351 HydrophobicContact CD2-CG 3.95Å; F303-E351 HydrophobicContact CE2-CB 4.06Å; F303-E351 HydrophobicContact CE2-CG 3.73Å; F303-R353 HydrophobicContact CD1-CB 4.12Å; F303-R353 HydrophobicContact CE1-CB 3.54Å; F303-R353 HydrophobicContact CZ-CB 4.07Å
304	C	98.6	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-44.6	178.5	-75.5	0	0	0	0	111.1	L256 L259 Q300 V301 Q306 W307 S308 R353	L256-C304 HydrophobicContact CD1-CB 4.31Å; L259-C304 HydrophobicContact CD2-CB 3.54Å; L259-C304 HydrophobicContact CG-CB 4.4Å; Q300-C304 PolarHBondContact O-N 3.4Å; V301-C304 PolarHBondContact O-N 2.91Å; C304-Q306 VanDerWaalsContact C-N 3.33Å; C304-Q306 PolarHBondContact O-N 3.06Å; C304-W307 CarbonylContact O-C 3.45Å; C304-W307 WeakPolarHBondContact O-CB 3.27Å; C304-W307 PolarHBondContact O-N 3.4Å; C304-W307 VanDerWaalsContact O-N 3.1Å; C304-S308 PolarHBondContact O-N 3.28Å; C304-S308 PolarHBondContact O-OG 2.71Å; C304-R353 WeakPolarHBondContact SG-CD 3.45Å; C304-R353 PolarHBondContact SG-NE 3.03Å
305	S	98.4	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-45	-179.9	-59.4	0	0	0	0	112	L287 V301 G302 S308 L309	L287-S305 VanDerWaalsContact CB-OG 3.31Å; L287-S305 WeakPolarHBondContact CB-OG 3.42Å; V301-S305 VanDerWaalsContact O-CB 3.29Å; V301-S305 WeakPolarHBondContact O-CB 3.49Å; V301-S305 PolarHBondContact O-N 2.72Å; V301-S305 PolarHBondContact O-OG 3.33Å; G302-S305 PolarHBondContact O-N 3.36Å; S305-S308 PolarHBondContact O-N 3.37Å; S305-L309 WeakPolarHBondContact O-CB 3.49Å; S305-L309 VanDerWaalsContact O-CG 3.29Å; S305-L309 WeakPolarHBondContact O-CG 3.35Å; S305-L309 PolarHBondContact O-N 3.14Å
306	Q	97.6	Very high	97	Very high	28 Å²	28	34.1 Å²	34.1	13%	0.131	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-45.5	175.4	-175	180	94.8	0	0	111.4	E288 G302 F303 C304 L309 D310 T321	E288-Q306 HydrophobicContact CB-CB 4.1Å; G302-Q306 VanDerWaalsContact O-CB 3.31Å; G302-Q306 WeakPolarHBondContact O-CB 3.46Å; G302-Q306 PolarHBondContact O-N 3.18Å; F303-Q306 PolarHBondContact O-N 3.35Å; C304-Q306 VanDerWaalsContact C-N 3.33Å; C304-Q306 PolarHBondContact O-N 3.06Å; Q306-L309 PolarHBondContact O-N 3.1Å; Q306-D310 PolarHBondContact O-N 3.05Å; Q306-D310 VanDerWaalsContact O-N 3.16Å; Q306-T321 HydrophobicContact CG-CG2 3.81Å; Q306-T321 WeakPolarHBondContact CG-OG1 3.44Å
307	W	97.6	Very high	96.8	Very high	72 Å²	72	35.5 Å²	35.5	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-62.5	-44.1	177.5	-174.1	96.3	0	0	0	112.1	F303 C304 D310 N311 K344	F303-W307 WeakPolarHBondContact O-CB 3.38Å; F303-W307 PolarHBondContact O-N 2.71Å; C304-W307 CarbonylContact O-C 3.45Å; C304-W307 WeakPolarHBondContact O-CB 3.27Å; C304-W307 PolarHBondContact O-N 3.4Å; C304-W307 VanDerWaalsContact O-N 3.1Å; W307-D310 PolarHBondContact O-N 2.99Å; W307-N311 HydrophobicContact CD2-CB 4.33Å; W307-N311 HydrophobicContact CE3-CB 4.27Å; W307-N311 HydrophobicContact CH2-CB 3.97Å; W307-N311 HydrophobicContact CZ2-CB 4.04Å; W307-N311 HydrophobicContact CZ3-CB 4.09Å; W307-N311 WeakPolarHBondContact O-CB 3.34Å; W307-N311 PolarHBondContact O-N 3.48Å; W307-N311 PolarHBondContact O-ND2 3.36Å; W307-K344 HydrophobicContact CD2-CD 3.84Å; W307-K344 HydrophobicContact CD2-CG 3.95Å; W307-K344 HydrophobicContact CE3-CD 4.13Å; W307-K344 HydrophobicContact CG-CB 4.28Å; W307-K344 HydrophobicContact CG-CD 4.02Å; W307-K344 HydrophobicContact CG-CG 4.16Å; W307-K344 HydrophobicContact CZ2-CG 4.19Å
308	S	97.9	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.4	-37	-179.3	-32	0	0	0	0	111.6	E263 C304 S305 D310 N311 L312 F313	E263-S308 PolarHBondContact OE1-OG 2.72Å; C304-S308 PolarHBondContact O-N 3.28Å; C304-S308 PolarHBondContact O-OG 2.71Å; S305-S308 PolarHBondContact O-N 3.37Å; S308-D310 VanDerWaalsContact C-N 3.27Å; S308-D310 PolarHBondContact O-N 2.93Å; S308-N311 PolarHBondContact O-N 2.98Å; S308-L312 CarbonylContact O-C 3.56Å; S308-L312 WeakPolarHBondContact O-CA 3.34Å; S308-L312 PolarHBondContact O-N 3.33Å; S308-F313 PolarHBondContact O-N 2.96Å
309	L	97.8	Very high	96.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-30.7	174.5	-74.2	168.5	0	0	0	112.8	L284 A285 E288 S305 Q306 F313 L314 K315	L284-L309 HydrophobicContact CB-CD1 3.99Å; L284-L309 HydrophobicContact CB-CD2 3.91Å; L284-L309 HydrophobicContact CB-CG 3.81Å; A285-L309 HydrophobicContact CB-CD1 4.49Å; E288-L309 HydrophobicContact CB-CD1 4.05Å; E288-L309 HydrophobicContact CG-CD1 4.14Å; E288-L309 WeakPolarHBondContact OE1-CD1 3.44Å; S305-L309 WeakPolarHBondContact O-CB 3.49Å; S305-L309 VanDerWaalsContact O-CG 3.29Å; S305-L309 WeakPolarHBondContact O-CG 3.35Å; S305-L309 PolarHBondContact O-N 3.14Å; Q306-L309 PolarHBondContact O-N 3.1Å; L309-F313 WeakPolarHBondContact CD2-O 3.44Å; L309-L314 WeakPolarHBondContact O-CD2 3.37Å; L309-K315 HydrophobicContact CD2-CB 4.18Å
310	D	96.6	Very high	96.6	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-80.2	-30.7	176.4	-76.3	-14	0	0	0	112.5	Q306 W307 S308 R318 F320 T321 P521 H523	Q306-D310 PolarHBondContact O-N 3.05Å; Q306-D310 VanDerWaalsContact O-N 3.16Å; W307-D310 PolarHBondContact O-N 2.99Å; S308-D310 VanDerWaalsContact C-N 3.27Å; S308-D310 PolarHBondContact O-N 2.93Å; D310-R318 IonicContact OD1-CZ 2.76Å; D310-R318 IonicContact OD1-NH1 3.56Å; D310-R318 PolarHBondContact OD1-NH1 3.36Å; D310-R318 IonicContact OD1-NH2 2.68Å; D310-F320 HydrophobicContact CB-CD1 4.21Å; D310-F320 WeakPolarHBondContact O-CE1 3.33Å; D310-T321 VanDerWaalsContact CG-OG1 3.26Å; D310-T321 PolarHBondContact OD1-N 2.66Å; D310-T321 VanDerWaalsContact OD1-N 3.08Å; D310-T321 PolarHBondContact OD1-OG1 3.42Å; D310-T321 WeakPolarHBondContact OD2-CB 3.2Å; D310-T321 PolarHBondContact OD2-N 3.2Å; D310-T321 PolarHBondContact OD2-OG1 3.15Å; D310-P521 HydrophobicContact CB-CG 4.16Å; D310-P521 VanDerWaalsContact O-CB 3.26Å; D310-P521 WeakPolarHBondContact O-CB 3.29Å; D310-H523 PolarHBondContact O-CE1 3.16Å
311	N	94.8	Very high	96.5	Very high	31 Å²	31	37.1 Å²	37.1	17%	0.166	20%	0.201	C	C	.	.	H	α-helix	trans	-113	-32.2	-167.6	-72.2	-81.2	0	0	0	115.4	W307 S308 P521 R522	W307-N311 HydrophobicContact CD2-CB 4.33Å; W307-N311 HydrophobicContact CE3-CB 4.27Å; W307-N311 HydrophobicContact CH2-CB 3.97Å; W307-N311 HydrophobicContact CZ2-CB 4.04Å; W307-N311 HydrophobicContact CZ3-CB 4.09Å; W307-N311 WeakPolarHBondContact O-CB 3.34Å; W307-N311 PolarHBondContact O-N 3.48Å; W307-N311 PolarHBondContact O-ND2 3.36Å; S308-N311 PolarHBondContact O-N 2.98Å; N311-P521 VanDerWaalsContact OD1-CA 3.26Å; N311-P521 WeakPolarHBondContact OD1-CA 3.45Å; N311-P521 WeakPolarHBondContact OD1-CB 3.26Å; N311-R522 PolarHBondContact OD1-N 2.6Å
312	L	94.6	Very high	96.3	Very high	29 Å²	29	39 Å²	39	15%	0.152	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-56.4	-162.7	-168	62	0	0	0	113.5	E263 K272 S308	E263-L312 HydrophobicContact CB-CD2 4.04Å; E263-L312 HydrophobicContact CG-CD2 3.93Å; K272-L312 HydrophobicContact CD-CD1 4.13Å; S308-L312 CarbonylContact O-C 3.56Å; S308-L312 WeakPolarHBondContact O-CA 3.34Å; S308-L312 PolarHBondContact O-N 3.33Å
313	F	96.8	Very high	96.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.23	C	C	.	.	S	Bend	trans	-108.1	73.4	-174.9	-53.5	-55.4	0	0	0	109.9	L262 E263 S266 V275 I280 L284 S308 L309	L262-F313 HydrophobicContact CB-CZ 4.46Å; E263-F313 HydrophobicContact CG-CE2 4.21Å; S266-F313 VanDerWaalsContact OG-CE1 3.27Å; S266-F313 WeakPolarHBondContact OG-CE1 3.43Å; S266-F313 WeakPolarHBondContact OG-CZ 3.49Å; V275-F313 HydrophobicContact CB-CE1 4.09Å; V275-F313 HydrophobicContact CG1-CD1 4.15Å; V275-F313 HydrophobicContact CG1-CE1 3.41Å; V275-F313 VanDerWaalsContact CG1-CE1 3.41Å; V275-F313 HydrophobicContact CG1-CZ 3.69Å; I280-F313 HydrophobicContact CD1-CD1 4.22Å; I280-F313 HydrophobicContact CD1-CD2 3.52Å; I280-F313 HydrophobicContact CD1-CE1 4.1Å; I280-F313 HydrophobicContact CD1-CE2 3.36Å; I280-F313 HydrophobicContact CD1-CG 3.95Å; I280-F313 HydrophobicContact CD1-CZ 3.68Å; I280-F313 HydrophobicContact CG1-CD2 4.17Å; I280-F313 HydrophobicContact CG1-CE2 4.46Å; I280-F313 HydrophobicContact CG1-CG 4.42Å; I280-F313 HydrophobicContact CG2-CB 4.11Å; I280-F313 HydrophobicContact CG2-CD1 4.06Å; I280-F313 HydrophobicContact CG2-CG 4Å; L284-F313 HydrophobicContact CD1-CB 4.41Å; L284-F313 HydrophobicContact CD1-CD2 3.78Å; S308-F313 PolarHBondContact O-N 2.96Å; L309-F313 WeakPolarHBondContact CD2-O 3.44Å
314	L	94.9	Very high	95.9	Very high	88 Å²	88	48.7 Å²	48.7	46%	0.461	25%	0.252	S	S	.	.			trans	-61.8	140.9	-174.9	-55.3	-176.4	0	0	0	111	L309 F320	L309-L314 WeakPolarHBondContact O-CD2 3.37Å; L314-F320 HydrophobicContact CD2-CE1 3.96Å; L314-F320 HydrophobicContact CD2-CZ 4.35Å
315	K	95.4	Very high	95.6	Very high	61 Å²	61	50.6 Å²	50.6	27%	0.265	26%	0.263	S	S	.	.			trans	-112.7	125.8	174.7	-174.3	179.2	178.1	101.9	0	110.1	D282 A285 L309 G317 R318	D282-K315 IonicContact OD1-NZ 2.75Å; D282-K315 PolarHBondContact OD1-NZ 3.35Å; A285-K315 HydrophobicContact CB-CD 3.69Å; L309-K315 HydrophobicContact CD2-CB 4.18Å; K315-G317 PolarHBondContact O-N 3.43Å; K315-R318 HydrophobicContact CB-CB 3.94Å; K315-R318 HydrophobicContact CD-CB 4.43Å; K315-R318 HydrophobicContact CG-CB 4.33Å; K315-R318 WeakPolarHBondContact O-CB 3.22Å; K315-R318 PolarHBondContact O-N 3.1Å
316	D	93.9	Very high	95.4	Very high	166 Å²	166	56.1 Å²	56.1	89%	0.888	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	133.9	177.7	-73.1	-25.2	0	0	0	111.6	R318	D316-R318 PolarHBondContact O-N 2.89Å
317	G	93.3	Very high	95.3	Very high	87 Å²	87	55.9 Å²	55.9	90%	0.897	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-4.8	-179.1	0	0	0	0	0	115.5	K315	K315-G317 PolarHBondContact O-N 3.43Å
318	R	95.9	Very high	95.1	Very high	42 Å²	42	56.6 Å²	56.6	16%	0.158	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-79.6	129.6	173.4	-174.5	-175.4	170.6	-82	0.2	110.3	E288 D310 K315 D316 T321	E288-R318 IonicContact OE1-CZ 3.29Å; E288-R318 IonicContact OE1-NE 2.92Å; E288-R318 PolarHBondContact OE1-NE 3.02Å; E288-R318 IonicContact OE1-NH2 3.15Å; E288-R318 IonicContact OE2-CZ 3.51Å; E288-R318 IonicContact OE2-NE 3.48Å; E288-R318 PolarHBondContact OE2-NE 3.32Å; E288-R318 IonicContact OE2-NH2 3.43Å; E288-R318 PolarHBondContact OE2-NH2 3.03Å; D310-R318 IonicContact OD1-CZ 2.76Å; D310-R318 IonicContact OD1-NH1 3.56Å; D310-R318 PolarHBondContact OD1-NH1 3.36Å; D310-R318 IonicContact OD1-NH2 2.68Å; K315-R318 HydrophobicContact CB-CB 3.94Å; K315-R318 HydrophobicContact CD-CB 4.43Å; K315-R318 HydrophobicContact CG-CB 4.33Å; K315-R318 WeakPolarHBondContact O-CB 3.22Å; K315-R318 PolarHBondContact O-N 3.1Å; D316-R318 PolarHBondContact O-N 2.89Å; R318-T321 PolarHBondContact NH2-OG1 3.47Å
319	Q	95.4	Very high	94.9	Very high	131 Å²	131	59.5 Å²	59.5	61%	0.612	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-74.3	144.2	170.7	-69.5	-176.7	-3	0	0	111.1
320	F	96.3	Very high	94.9	Very high	22 Å²	22	59.9 Å²	59.9	10%	0.096	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.3	149.3	177.5	-69.3	-74.7	0	0	0	111.1	D310 L314 Y322 E323 P521 H523 R524	D310-F320 HydrophobicContact CB-CD1 4.21Å; D310-F320 WeakPolarHBondContact O-CE1 3.33Å; L314-F320 HydrophobicContact CD2-CE1 3.96Å; L314-F320 HydrophobicContact CD2-CZ 4.35Å; F320-Y322 VanDerWaalsContact C-N 3.29Å; F320-Y322 HydrophobicContact CB-CD1 3.55Å; F320-Y322 HydrophobicContact CB-CE1 3.31Å; F320-Y322 HydrophobicContact CD1-CE1 4.5Å; F320-Y322 HydrophobicContact CD2-CE1 4.09Å; F320-Y322 HydrophobicContact CG-CD1 4.33Å; F320-Y322 AromaticContact CG-CE1 3.72Å; F320-Y322 HydrophobicContact CG-CE1 3.72Å; F320-Y322 PolarHBondContact O-N 3.16Å; F320-E323 HydrophobicContact CB-CG 4.15Å; F320-E323 PolarHBondContact N-OE2 3.26Å; F320-E323 WeakPolarHBondContact O-CB 3.42Å; F320-E323 PolarHBondContact O-N 3Å; F320-P521 HydrophobicContact CD1-CG 4.11Å; F320-H523 AromaticContact CE1-CE1 3.73Å; F320-H523 AromaticContact CZ-CE1 3.89Å; F320-H523 AromaticContact CZ-NE2 3.72Å; F320-R524 VanDerWaalsContact CE2-NH2 3.33Å
321	T	95.7	Very high	95	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-67.1	-32.7	-173.4	-40	0	0	0	0	112.8	Q306 D310 R318 E323 K324 V325 P347	Q306-T321 HydrophobicContact CG-CG2 3.81Å; Q306-T321 WeakPolarHBondContact CG-OG1 3.44Å; D310-T321 VanDerWaalsContact CG-OG1 3.26Å; D310-T321 PolarHBondContact OD1-N 2.66Å; D310-T321 VanDerWaalsContact OD1-N 3.08Å; D310-T321 PolarHBondContact OD1-OG1 3.42Å; D310-T321 WeakPolarHBondContact OD2-CB 3.2Å; D310-T321 PolarHBondContact OD2-N 3.2Å; D310-T321 PolarHBondContact OD2-OG1 3.15Å; R318-T321 PolarHBondContact NH2-OG1 3.47Å; T321-E323 PolarHBondContact O-N 2.91Å; T321-K324 HydrophobicContact CG2-CD 4.4Å; T321-K324 HydrophobicContact CG2-CG 4.27Å; T321-K324 VanDerWaalsContact O-CG 3.29Å; T321-K324 WeakPolarHBondContact O-CG 3.31Å; T321-K324 PolarHBondContact O-N 3.06Å; T321-V325 PolarHBondContact O-N 2.93Å; T321-P347 HydrophobicContact CG2-CB 4.37Å; T321-P347 HydrophobicContact CG2-CG 3.72Å
322	Y	94.1	Very high	95.1	Very high	39 Å²	39	60.3 Å²	60.3	15%	0.153	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-18.6	175.2	77.8	-94.3	0	0	0	113.4	F320 I518 L520 P521	F320-Y322 VanDerWaalsContact C-N 3.29Å; F320-Y322 HydrophobicContact CB-CD1 3.55Å; F320-Y322 HydrophobicContact CB-CE1 3.31Å; F320-Y322 HydrophobicContact CD1-CE1 4.5Å; F320-Y322 HydrophobicContact CD2-CE1 4.09Å; F320-Y322 HydrophobicContact CG-CD1 4.33Å; F320-Y322 AromaticContact CG-CE1 3.72Å; F320-Y322 HydrophobicContact CG-CE1 3.72Å; F320-Y322 PolarHBondContact O-N 3.16Å; Y322-I518 HydrophobicContact CD2-CG2 3.73Å; Y322-I518 HydrophobicContact CE2-CG2 4.35Å; Y322-I518 HydrophobicContact CG-CG2 4.27Å; Y322-L520 HydrophobicContact CD2-CD2 4.29Å; Y322-L520 HydrophobicContact CE1-CD2 4.28Å; Y322-L520 HydrophobicContact CE2-CD2 3.95Å; Y322-P521 VanDerWaalsContact CD1-CD 3.5Å; Y322-P521 HydrophobicContact CD1-CG 3.99Å; Y322-P521 HydrophobicContact CE1-CG 3.97Å
323	E	94.6	Very high	95.3	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	33%	0.327	S	S	.	.	H	α-helix	trans	-85.1	-24.7	179.9	-59.9	174.4	156.9	0	0	112.1	F320 T321	F320-E323 HydrophobicContact CB-CG 4.15Å; F320-E323 PolarHBondContact N-OE2 3.26Å; F320-E323 WeakPolarHBondContact O-CB 3.42Å; F320-E323 PolarHBondContact O-N 3Å; T321-E323 PolarHBondContact O-N 2.91Å
324	K	93.1	Very high	95.4	Very high	110 Å²	110	59 Å²	59	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-99.9	-20.2	-177.5	63.7	-179.4	-177.9	-172.8	0	114.2	E288 T321	E288-K324 IonicContact OE2-NZ 3.51Å; E288-K324 PolarHBondContact OE2-NZ 2.96Å; T321-K324 HydrophobicContact CG2-CD 4.4Å; T321-K324 HydrophobicContact CG2-CG 4.27Å; T321-K324 VanDerWaalsContact O-CG 3.29Å; T321-K324 WeakPolarHBondContact O-CG 3.31Å; T321-K324 PolarHBondContact O-N 3.06Å
325	V	93.6	Very high	95.5	Very high	40 Å²	40	56.6 Å²	56.6	24%	0.242	31%	0.314	C	S	.	.			trans	-73.2	137.7	-174.7	67.9	0	0	0	0	112.1	T321 L327 P347 T348	T321-V325 PolarHBondContact O-N 2.93Å; V325-L327 HydrophobicContact CG1-CD1 4.13Å; V325-L327 HydrophobicContact CG1-CD2 3.83Å; V325-L327 HydrophobicContact CG1-CG 3.92Å; V325-L327 HydrophobicContact CG2-CD2 3.93Å; V325-P347 HydrophobicContact CB-CB 4.43Å; V325-P347 HydrophobicContact CG1-CB 3.97Å; V325-T348 HydrophobicContact CG2-CG2 3.45Å; V325-T348 VanDerWaalsContact CG2-CG2 3.45Å
326	N	93.4	Very high	95.3	Very high	116 Å²	116	54.9 Å²	54.9	62%	0.62	31%	0.31	S	S	*	.			trans	-87.9	114.5	175.2	-177.3	-1.2	0	0	0	110.7	S328	N326-S328 PolarHBondContact ND2-OG 3.15Å; N326-S328 VanDerWaalsContact OD1-CB 3.29Å; N326-S328 WeakPolarHBondContact OD1-CB 3.18Å; N326-S328 PolarHBondContact OD1-N 3.31Å; N326-S328 PolarHBondContact OD1-OG 3.25Å
327	L	95.8	Very high	95.2	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.126	29%	0.288	C	S	.	.			trans	-108.6	11.3	-178.3	-53.5	175.7	0	0	0	113.1	V325 S329 I330 K517	V325-L327 HydrophobicContact CG1-CD1 4.13Å; V325-L327 HydrophobicContact CG1-CD2 3.83Å; V325-L327 HydrophobicContact CG1-CG 3.92Å; V325-L327 HydrophobicContact CG2-CD2 3.93Å; L327-S329 VanDerWaalsContact C-N 3.28Å; L327-S329 PolarHBondContact O-N 3.43Å; L327-I330 HydrophobicContact CD2-CG1 4.41Å; L327-I330 PolarHBondContact O-N 2.8Å; L327-I330 VanDerWaalsContact O-N 3.16Å; L327-K517 HydrophobicContact CB-CB 4.3Å; L327-K517 HydrophobicContact CB-CD 3.96Å; L327-K517 HydrophobicContact CD1-CB 3.78Å; L327-K517 WeakPolarHBondContact CD1-O 3.47Å; L327-K517 PolarHBondContact O-NZ 3.38Å
328	S	93.8	Very high	95.1	Very high	87 Å²	87	48.4 Å²	48.4	61%	0.608	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.9	-175.6	55.3	0	0	0	0	112.9	N326	N326-S328 PolarHBondContact ND2-OG 3.15Å; N326-S328 VanDerWaalsContact OD1-CB 3.29Å; N326-S328 WeakPolarHBondContact OD1-CB 3.18Å; N326-S328 PolarHBondContact OD1-N 3.31Å; N326-S328 PolarHBondContact OD1-OG 3.25Å
329	S	94.1	Very high	95	Very high	61 Å²	61	48.5 Å²	48.5	43%	0.427	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.5	178.3	58.5	0	0	0	0	114.5	L327 N507	L327-S329 VanDerWaalsContact C-N 3.28Å; L327-S329 PolarHBondContact O-N 3.43Å; S329-N507 PolarHBondContact O-ND2 3.34Å; S329-N507 PolarHBondContact O-OD1 2.86Å
330	I	97.4	Very high	94.9	Very high	9 Å²	9	43 Å²	43	5%	0.046	24%	0.236	C	C	.	.			trans	-99	110.9	-174.1	-53.8	-50.9	0	0	0	110.4	L327 M333 L350 A492 K517	L327-I330 HydrophobicContact CD2-CG1 4.41Å; L327-I330 PolarHBondContact O-N 2.8Å; L327-I330 VanDerWaalsContact O-N 3.16Å; I330-M333 HydrophobicContact CG2-CB 4.09Å; I330-L350 HydrophobicContact CD1-CD1 3.7Å; I330-L350 HydrophobicContact CD1-CG 4.43Å; I330-A492 HydrophobicContact CD1-CB 3.66Å; I330-K517 WeakPolarHBondContact O-CD 3.35Å; I330-K517 WeakPolarHBondContact O-CE 3.39Å; I330-K517 PolarHBondContact O-NZ 3.34Å
331	N	97.9	Very high	94.4	Very high	49 Å²	49	47.5 Å²	47.5	26%	0.262	26%	0.257	S	S	.	.	S	Bend	trans	-112.9	-15.4	178.3	-66.1	-29.7	0	0	0	113	N507 A510 L512	N331-N507 WeakPolarHBondContact CB-O 3.42Å; N331-N507 PolarHBondContact N-OD1 3.43Å; N331-N507 PolarHBondContact ND2-O 2.95Å; N331-A510 HydrophobicContact CB-CB 4.4Å; N331-A510 WeakPolarHBondContact CB-O 3.45Å; N331-A510 WeakPolarHBondContact O-CB 3.19Å; N331-L512 WeakPolarHBondContact O-CD1 3.44Å; N331-L512 VanDerWaalsContact O-CG 3.31Å; N331-L512 WeakPolarHBondContact O-CG 3.24Å
332	A	98.1	Very high	94.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-137.6	141.6	170.5	0	0	0	0	0	109.4	F366 F490 F506 A510	A332-F366 HydrophobicContact CB-CB 4.38Å; A332-F490 HydrophobicContact CB-CB 4.02Å; A332-F490 HydrophobicContact CB-CD2 4.48Å; A332-F490 HydrophobicContact CB-CG 4.28Å; A332-F490 WeakPolarHBondContact O-CD2 3.4Å; A332-F506 HydrophobicContact CB-CB 3.65Å; A332-A510 HydrophobicContact CB-CB 3.93Å
333	M	98.1	Very high	94.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	27%	0.271	C	S	.	.			trans	-153.6	173.5	-176.5	65.1	-167.6	-67.6	0	0	110.4	I330 G349 L350 C364 T365 L512 K517 I519	I330-M333 HydrophobicContact CG2-CB 4.09Å; M333-G349 VanDerWaalsContact CE-CA 3.47Å; M333-L350 HydrophobicContact CB-CD2 4.42Å; M333-C364 CarbonylContact O-C 3.59Å; M333-C364 WeakPolarHBondContact O-CA 3.43Å; M333-C364 WeakPolarHBondContact O-CB 3.41Å; M333-T365 HydrophobicContact CG-CG2 3.76Å; M333-T365 PolarHBondContact N-OG1 3.14Å; M333-T365 PolarHBondContact O-N 3.46Å; M333-T365 PolarHBondContact O-OG1 3.42Å; M333-L512 HydrophobicContact CG-CD1 3.82Å; M333-L512 HydrophobicContact SD-CD1 3.79Å; M333-K517 WeakPolarHBondContact CE-O 3.32Å; M333-K517 HydrophobicContact SD-CB 4.42Å; M333-I519 HydrophobicContact CE-CD1 3.52Å; M333-I519 HydrophobicContact CE-CG1 3.8Å
334	L	98.5	Very high	94.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.2	167.3	-63.1	176.8	0	0	0	110.2	S336 I345 G349 A352 V362 F488 F490	L334-S336 PolarHBondContact O-N 3.27Å; L334-I345 HydrophobicContact CB-CD1 4.19Å; L334-I345 HydrophobicContact CB-CG2 4.25Å; L334-I345 HydrophobicContact CD1-CG2 4.38Å; L334-G349 WeakPolarHBondContact CB-O 3.29Å; L334-G349 WeakPolarHBondContact CG-O 3.48Å; L334-G349 PolarHBondContact N-O 3.18Å; L334-A352 HydrophobicContact CD1-CB 3.58Å; L334-V362 HydrophobicContact CB-CG2 4.02Å; L334-V362 HydrophobicContact CD1-CG1 4.46Å; L334-V362 HydrophobicContact CD2-CG1 3.93Å; L334-V362 HydrophobicContact CD2-CG2 4.21Å; L334-F488 HydrophobicContact CD1-CD2 3.7Å; L334-F488 HydrophobicContact CD1-CE2 3.74Å; L334-F488 HydrophobicContact CD2-CD1 4.21Å; L334-F488 HydrophobicContact CD2-CD2 3.96Å; L334-F488 HydrophobicContact CD2-CE1 4.21Å; L334-F488 HydrophobicContact CD2-CE2 3.97Å; L334-F488 HydrophobicContact CD2-CG 4.11Å; L334-F488 HydrophobicContact CD2-CZ 4.11Å; L334-F488 HydrophobicContact CG-CD2 4.06Å; L334-F488 HydrophobicContact CG-CE2 4.33Å; L334-F488 HydrophobicContact CG-CG 4.44Å; L334-F490 HydrophobicContact CD2-CE2 4.45Å; L334-F490 HydrophobicContact CD2-CZ 4.12Å
335	N	96.3	Very high	94.6	Very high	37 Å²	37	42.2 Å²	42.2	20%	0.198	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.6	-172.6	-173.4	-5.8	0	0	0	111.4	N337 D338 R363 T365	N335-N337 PolarHBondContact O-N 3.17Å; N335-N337 VanDerWaalsContact O-N 3.12Å; N335-N337 WeakPolarHBondContact OD1-CB 3.47Å; N335-N337 PolarHBondContact OD1-N 3.3Å; N335-D338 HydrophobicContact CB-CB 4Å; N335-D338 WeakPolarHBondContact ND2-CB 3.44Å; N335-D338 CarbonylContact O-C 3.59Å; N335-D338 PolarHBondContact O-N 3.3Å; N335-R363 WeakPolarHBondContact CB-O 3.36Å; N335-R363 PolarHBondContact N-O 2.99Å; N335-T365 HydrophobicContact CB-CG2 3.78Å
336	S	92.8	Very high	94.8	Very high	25 Å²	25	40.7 Å²	40.7	18%	0.175	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-2.2	177.6	62.7	0	0	0	0	115	L334 R525	L334-S336 PolarHBondContact O-N 3.27Å; S336-R525 PolarHBondContact O-NH1 3.39Å
337	N	90.6	Very high	94.8	Very high	81 Å²	81	36 Å²	36	43%	0.433	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-5.8	170.3	-61.8	-52.7	0	0	0	113	N335 R525	N335-N337 PolarHBondContact O-N 3.17Å; N335-N337 VanDerWaalsContact O-N 3.12Å; N335-N337 WeakPolarHBondContact OD1-CB 3.47Å; N335-N337 PolarHBondContact OD1-N 3.3Å; N337-R525 PolarHBondContact OD1-NH2 3.3Å
338	D	92.4	Very high	94.8	Very high	36 Å²	36	37 Å²	37	19%	0.193	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	62.1	179.1	-168.6	9.9	0	0	0	109.4	N335 R363	N335-D338 HydrophobicContact CB-CB 4Å; N335-D338 WeakPolarHBondContact ND2-CB 3.44Å; N335-D338 CarbonylContact O-C 3.59Å; N335-D338 PolarHBondContact O-N 3.3Å; D338-R363 PolarHBondContact O-N 3.23Å; D338-R363 VanDerWaalsContact O-N 3.16Å; D338-R363 IonicContact OD1-CZ 2.8Å; D338-R363 IonicContact OD1-NE 3.22Å; D338-R363 IonicContact OD1-NH2 3.51Å; D338-R363 PolarHBondContact OD1-NH2 2.93Å; D338-R363 IonicContact OD2-CZ 3.21Å; D338-R363 IonicContact OD2-NE 3.38Å; D338-R363 PolarHBondContact OD2-NE 3.13Å; D338-R363 IonicContact OD2-NH2 2.74Å; D338-R363 PolarHBondContact OD2-NH2 3.43Å
339	V	93.1	Very high	95	Very high	44 Å²	44	32.9 Å²	32.9	27%	0.267	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.9	-172.5	63.2	0	0	0	0	109.9	L343 I345 S361 V362	V339-L343 HydrophobicContact CG2-CB 3.59Å; V339-L343 HydrophobicContact CG2-CD2 3.59Å; V339-L343 HydrophobicContact CG2-CG 4.2Å; V339-I345 HydrophobicContact CB-CD1 4.43Å; V339-I345 HydrophobicContact CG1-CD1 4.49Å; V339-I345 HydrophobicContact CG2-CD1 4.11Å; V339-S361 CarbonylContact C-O 3.54Å; V339-S361 VanDerWaalsContact CA-O 3.31Å; V339-S361 WeakPolarHBondContact CA-O 3.3Å; V339-V362 HydrophobicContact CB-CB 4.21Å; V339-V362 HydrophobicContact CB-CG2 3.93Å; V339-V362 HydrophobicContact CG2-CB 3.87Å; V339-V362 HydrophobicContact CG2-CG2 3.97Å
340	S	92.7	Very high	95.2	Very high	16 Å²	16	30.8 Å²	30.8	11%	0.112	16%	0.161	C	C	.	.			trans	-67.1	155.9	169.8	-55.2	0	0	0	0	112.1	Y342 E360 S361	S340-Y342 VanDerWaalsContact C-N 3.31Å; S340-Y342 PolarHBondContact O-N 3.3Å; S340-E360 VanDerWaalsContact CB-CD 3.47Å; S340-E360 WeakPolarHBondContact CB-OE2 3.36Å; S340-S361 PolarHBondContact N-O 2.91Å; S340-S361 PolarHBondContact OG-N 3.32Å; S340-S361 PolarHBondContact OG-O 3.35Å
341	E	86.3	Confident	95.2	Very high	116 Å²	116	30.9 Å²	30.9	54%	0.542	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.9	-164.2	-179.5	172.7	177	0	0	114.8	E360 R522	E341-E360 PolarHBondContact N-OE2 3.2Å; E341-R522 IonicContact OE1-CZ 3.48Å; E341-R522 IonicContact OE1-NH1 3.51Å; E341-R522 PolarHBondContact OE1-NH1 2.88Å; E341-R522 VanDerWaalsContact OE1-NH1 3.13Å; E341-R522 IonicContact OE1-NH2 3.43Å; E341-R522 PolarHBondContact OE1-NH2 3.17Å
342	Y	91.5	Very high	95.2	Very high	102 Å²	102	28.6 Å²	28.6	40%	0.4	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	1.9	-166	-56.2	-67.7	0	0	0	114	S340 K344 A356 E360	S340-Y342 VanDerWaalsContact C-N 3.31Å; S340-Y342 PolarHBondContact O-N 3.3Å; Y342-K344 PolarHBondContact O-N 3.44Å; Y342-A356 HydrophobicContact CD2-CB 4.29Å; Y342-A356 HydrophobicContact CG-CB 4.16Å; Y342-E360 PolarHBondContact N-OE2 2.62Å
343	L	95.7	Very high	95.2	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.089	15%	0.149	C	C	.	.			trans	-70.3	124.4	176.6	-163.2	70.2	0	0	0	110.7	V339 I345 A352 C354 E360 V362 F480	V339-L343 HydrophobicContact CG2-CB 3.59Å; V339-L343 HydrophobicContact CG2-CD2 3.59Å; V339-L343 HydrophobicContact CG2-CG 4.2Å; L343-I345 HydrophobicContact CD2-CG1 4.36Å; L343-A352 HydrophobicContact CD1-CB 4.49Å; L343-A352 HydrophobicContact CD2-CB 4.06Å; L343-A352 HydrophobicContact CG-CB 4.27Å; L343-C354 HydrophobicContact CD1-CB 3.95Å; L343-E360 HydrophobicContact CB-CB 4.1Å; L343-E360 HydrophobicContact CD1-CB 3.91Å; L343-V362 HydrophobicContact CD2-CB 3.68Å; L343-V362 HydrophobicContact CD2-CG1 3.61Å; L343-V362 HydrophobicContact CD2-CG2 4.44Å; L343-F480 HydrophobicContact CD1-CB 4.3Å; L343-F480 HydrophobicContact CD1-CD2 3.7Å; L343-F480 HydrophobicContact CD1-CE2 4.25Å; L343-F480 HydrophobicContact CD1-CG 4.09Å; L343-F480 HydrophobicContact CD2-CD2 4.34Å; L343-F480 HydrophobicContact CD2-CE2 4.27Å
344	K	97.3	Very high	95.2	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.4	172.8	-59.2	-179.7	178.4	173	0	108.2	E263 F303 W307 Y342 A352 R353 D355	E263-K344 VanDerWaalsContact CD-NZ 3.33Å; E263-K344 IonicContact OE1-NZ 3.6Å; E263-K344 PolarHBondContact OE1-NZ 3.43Å; E263-K344 IonicContact OE2-NZ 3.65Å; E263-K344 PolarHBondContact OE2-NZ 3.19Å; F303-K344 HydrophobicContact CE1-CB 3.78Å; F303-K344 HydrophobicContact CE1-CD 4.4Å; F303-K344 HydrophobicContact CZ-CB 4.11Å; W307-K344 HydrophobicContact CD2-CD 3.84Å; W307-K344 HydrophobicContact CD2-CG 3.95Å; W307-K344 HydrophobicContact CE3-CD 4.13Å; W307-K344 HydrophobicContact CG-CB 4.28Å; W307-K344 HydrophobicContact CG-CD 4.02Å; W307-K344 HydrophobicContact CG-CG 4.16Å; W307-K344 HydrophobicContact CZ2-CG 4.19Å; Y342-K344 PolarHBondContact O-N 3.44Å; K344-A352 CarbonylContact O-C 3.59Å; K344-A352 WeakPolarHBondContact O-CA 3.48Å; K344-R353 HydrophobicContact CB-CB 4.46Å; K344-R353 WeakPolarHBondContact CB-O 3.47Å; K344-R353 PolarHBondContact N-O 2.96Å; K344-R353 PolarHBondContact O-N 3.04Å; K344-D355 WeakPolarHBondContact CE-OD2 3.04Å; K344-D355 IonicContact NZ-OD2 2.7Å; K344-D355 PolarHBondContact NZ-OD2 2.94Å
345	I	97.5	Very high	95.1	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.4	173.3	-55.2	177.7	0	0	0	108.6	L334 V339 L343 V362 I519	L334-I345 HydrophobicContact CB-CD1 4.19Å; L334-I345 HydrophobicContact CB-CG2 4.25Å; L334-I345 HydrophobicContact CD1-CG2 4.38Å; V339-I345 HydrophobicContact CB-CD1 4.43Å; V339-I345 HydrophobicContact CG1-CD1 4.49Å; V339-I345 HydrophobicContact CG2-CD1 4.11Å; L343-I345 HydrophobicContact CD2-CG1 4.36Å; I345-V362 HydrophobicContact CD1-CG2 4.27Å; I345-I519 HydrophobicContact CB-CD1 4.13Å; I345-I519 HydrophobicContact CG2-CD1 3.48Å; I345-I519 VanDerWaalsContact CG2-CD1 3.48Å
346	S	96.8	Very high	94.9	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.063	14%	0.143	C	C	.	.			trans	-57.3	156.5	172.2	49.6	0	0	0	0	112.3	T348 G349 L350 E351 I519	S346-T348 PolarHBondContact O-N 3.44Å; S346-T348 PolarHBondContact OG-OG1 2.76Å; S346-G349 WeakPolarHBondContact O-CA 3.31Å; S346-G349 PolarHBondContact O-N 2.85Å; S346-L350 PolarHBondContact OG-N 2.76Å; S346-E351 PolarHBondContact N-O 3.49Å; S346-E351 WeakPolarHBondContact OG-CA 3.29Å; S346-E351 PolarHBondContact OG-N 2.95Å; S346-E351 PolarHBondContact OG-O 2.76Å; S346-I519 WeakPolarHBondContact O-CD1 3.21Å
347	P	95	Very high	94.6	Very high	18 Å²	18	28.7 Å²	28.7	12%	0.117	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21	176.9	-26.4	37.7	0	0	0	115.1	T321 V325 G349	T321-P347 HydrophobicContact CG2-CB 4.37Å; T321-P347 HydrophobicContact CG2-CG 3.72Å; V325-P347 HydrophobicContact CB-CB 4.43Å; V325-P347 HydrophobicContact CG1-CB 3.97Å; P347-G349 VanDerWaalsContact C-N 3.27Å
348	T	95.8	Very high	94.6	Very high	44 Å²	44	25.2 Å²	25.2	27%	0.27	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.5	170.7	56.3	0	0	0	0	112.7	V325 S346 L350	V325-T348 HydrophobicContact CG2-CG2 3.45Å; V325-T348 VanDerWaalsContact CG2-CG2 3.45Å; S346-T348 PolarHBondContact O-N 3.44Å; S346-T348 PolarHBondContact OG-OG1 2.76Å; T348-L350 PolarHBondContact O-N 3.39Å; T348-L350 PolarHBondContact OG1-N 3.11Å
349	G	97.2	Very high	94.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	67.3	16.9	-170.7	0	0	0	0	0	114.5	M333 L334 S346 P347	M333-G349 VanDerWaalsContact CE-CA 3.47Å; L334-G349 WeakPolarHBondContact CB-O 3.29Å; L334-G349 WeakPolarHBondContact CG-O 3.48Å; L334-G349 PolarHBondContact N-O 3.18Å; S346-G349 WeakPolarHBondContact O-CA 3.31Å; S346-G349 PolarHBondContact O-N 2.85Å; P347-G349 VanDerWaalsContact C-N 3.27Å
350	L	97.8	Very high	94.7	Very high	17 Å²	17	22.5 Å²	22.5	9%	0.089	12%	0.118	C	C	.	.	S	Bend	trans	-107.5	-11	-176.6	-64	-171.9	0	0	0	113.5	I330 M333 S346 T348 E487 F488 F490	I330-L350 HydrophobicContact CD1-CD1 3.7Å; I330-L350 HydrophobicContact CD1-CG 4.43Å; M333-L350 HydrophobicContact CB-CD2 4.42Å; S346-L350 PolarHBondContact OG-N 2.76Å; T348-L350 PolarHBondContact O-N 3.39Å; T348-L350 PolarHBondContact OG1-N 3.11Å; L350-E487 CarbonylContact O-C 3.53Å; L350-E487 WeakPolarHBondContact O-CA 3.17Å; L350-F488 PolarHBondContact O-N 3.28Å; L350-F490 HydrophobicContact CD2-CD2 3.69Å; L350-F490 HydrophobicContact CD2-CE2 4.11Å
351	E	98.2	Very high	94.9	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.056	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.8	177.6	-174.7	166.3	-163.9	0	0	110.1	R299 F303 S346 Q485 C486 E487	R299-E351 IonicContact CZ-OE1 2.98Å; R299-E351 IonicContact CZ-OE2 3.35Å; R299-E351 IonicContact NE-OE1 2.62Å; R299-E351 PolarHBondContact NE-OE1 3.02Å; R299-E351 IonicContact NE-OE2 2.65Å; R299-E351 PolarHBondContact NE-OE2 3.46Å; R299-E351 IonicContact NH2-OE1 2.92Å; R299-E351 PolarHBondContact NH2-OE1 3.07Å; R299-E351 IonicContact NH2-OE2 3.48Å; R299-E351 PolarHBondContact NH2-OE2 3.47Å; F303-E351 HydrophobicContact CD2-CG 3.95Å; F303-E351 HydrophobicContact CE2-CB 4.06Å; F303-E351 HydrophobicContact CE2-CG 3.73Å; S346-E351 PolarHBondContact N-O 3.49Å; S346-E351 WeakPolarHBondContact OG-CA 3.29Å; S346-E351 PolarHBondContact OG-N 2.95Å; S346-E351 PolarHBondContact OG-O 2.76Å; E351-Q485 HydrophobicContact CG-CG 4.28Å; E351-Q485 PolarHBondContact OE1-NE2 2.65Å; E351-C486 WeakPolarHBondContact CA-O 3.32Å; E351-E487 HydrophobicContact CB-CB 4.48Å; E351-E487 HydrophobicContact CB-CG 4.47Å; E351-E487 HydrophobicContact CG-CB 4.47Å
352	A	98.4	Very high	95.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.6	179.5	0	0	0	0	0	112	L334 L343 K344 F480 Q485 C486	L334-A352 HydrophobicContact CD1-CB 3.58Å; L343-A352 HydrophobicContact CD1-CB 4.49Å; L343-A352 HydrophobicContact CD2-CB 4.06Å; L343-A352 HydrophobicContact CG-CB 4.27Å; K344-A352 CarbonylContact O-C 3.59Å; K344-A352 WeakPolarHBondContact O-CA 3.48Å; A352-F480 HydrophobicContact CB-CE2 4.29Å; A352-F480 HydrophobicContact CB-CZ 4.03Å; A352-Q485 VanDerWaalsContact O-CA 3.27Å; A352-Q485 WeakPolarHBondContact O-CA 3.48Å; A352-Q485 WeakPolarHBondContact O-CG 3.21Å; A352-C486 PolarHBondContact N-O 2.96Å; A352-C486 VanDerWaalsContact N-O 3.08Å; A352-C486 PolarHBondContact O-N 2.9Å; A352-C486 VanDerWaalsContact O-N 3.13Å
353	R	98.1	Very high	95.8	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.7	176.9	-177.5	-175	179.7	78.2	13.2	111.1	F303 C304 K344 D355 Q484 Q485	F303-R353 HydrophobicContact CD1-CB 4.12Å; F303-R353 HydrophobicContact CE1-CB 3.54Å; F303-R353 HydrophobicContact CZ-CB 4.07Å; C304-R353 WeakPolarHBondContact SG-CD 3.45Å; C304-R353 PolarHBondContact SG-NE 3.03Å; K344-R353 HydrophobicContact CB-CB 4.46Å; K344-R353 WeakPolarHBondContact CB-O 3.47Å; K344-R353 PolarHBondContact N-O 2.96Å; K344-R353 PolarHBondContact O-N 3.04Å; R353-D355 IonicContact CZ-OD1 3.3Å; R353-D355 VanDerWaalsContact CZ-OD1 3.29Å; R353-D355 IonicContact NE-OD1 3.47Å; R353-D355 PolarHBondContact NE-OD1 3.16Å; R353-D355 IonicContact NE-OD2 2.72Å; R353-D355 PolarHBondContact NE-OD2 3.24Å; R353-D355 IonicContact NH2-OD1 3.95Å; R353-D355 PolarHBondContact NH2-OD1 3.15Å; R353-Q484 CarbonylContact C-O 3.46Å; R353-Q484 WeakPolarHBondContact CA-O 3.39Å; R353-Q484 WeakPolarHBondContact CG-O 3.35Å; R353-Q485 HydrophobicContact CB-CB 4.09Å; R353-Q485 HydrophobicContact CB-CG 4.02Å; R353-Q485 VanDerWaalsContact CD-OE1 3.31Å; R353-Q485 HydrophobicContact CG-CB 4.08Å; R353-Q485 HydrophobicContact CG-CG 4.43Å
354	C	97.4	Very high	95.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.7	168.8	-177.8	0	0	0	0	110.5	L343 A356 E360 F480 Y483 Q484	L343-C354 HydrophobicContact CD1-CB 3.95Å; C354-A356 PolarHBondContact SG-N 3.35Å; C354-E360 HydrophobicContact CB-CB 4.44Å; C354-E360 VanDerWaalsContact SG-CG 3.52Å; C354-F480 HydrophobicContact CB-CB 3.55Å; C354-F480 HydrophobicContact CB-CG 4.5Å; C354-Y483 CarbonylContact O-C 3.6Å; C354-Y483 WeakPolarHBondContact O-CA 3.04Å; C354-Y483 PolarHBondContact O-N 3.42Å; C354-Q484 PolarHBondContact N-O 3.33Å; C354-Q484 PolarHBondContact O-N 3Å
355	D	95.9	Very high	96	Very high	6 Å²	6	12.8 Å²	12.8	3%	0.032	8%	0.076	C	C	.	.			trans	-122.9	10.4	169.1	-65.1	-51.6	0	0	0	111.6	I260 K264 K344 R353	I260-D355 VanDerWaalsContact CD1-OD1 3.27Å; I260-D355 WeakPolarHBondContact CD1-OD1 3.39Å; I260-D355 HydrophobicContact CG1-CB 4.47Å; I260-D355 HydrophobicContact CG2-CB 4.39Å; K264-D355 VanDerWaalsContact CE-O 3.3Å; K264-D355 WeakPolarHBondContact CE-O 3.17Å; K264-D355 PolarHBondContact NZ-O 3.47Å; K344-D355 WeakPolarHBondContact CE-OD2 3.04Å; K344-D355 IonicContact NZ-OD2 2.7Å; K344-D355 PolarHBondContact NZ-OD2 2.94Å; R353-D355 IonicContact CZ-OD1 3.3Å; R353-D355 VanDerWaalsContact CZ-OD1 3.29Å; R353-D355 IonicContact NE-OD1 3.47Å; R353-D355 PolarHBondContact NE-OD1 3.16Å; R353-D355 IonicContact NE-OD2 2.72Å; R353-D355 PolarHBondContact NE-OD2 3.24Å; R353-D355 IonicContact NH2-OD1 3.95Å; R353-D355 PolarHBondContact NH2-OD1 3.15Å
356	A	91.8	Very high	96	Very high	6 Å²	6	14.5 Å²	14.5	5%	0.05	8%	0.083	C	C	.	.	S	Bend	trans	-87.8	159.4	173.5	0	0	0	0	0	110.9	Y342 C354 S358 E360 S482	Y342-A356 HydrophobicContact CD2-CB 4.29Å; Y342-A356 HydrophobicContact CG-CB 4.16Å; C354-A356 PolarHBondContact SG-N 3.35Å; A356-S358 VanDerWaalsContact C-N 3.3Å; A356-E360 HydrophobicContact CB-CG 4.36Å; A356-S482 WeakPolarHBondContact O-CA 3.26Å; A356-S482 VanDerWaalsContact O-CB 3.27Å; A356-S482 WeakPolarHBondContact O-CB 3.38Å; A356-S482 PolarHBondContact O-OG 3.47Å
357	S	87.9	Confident	96	Very high	55 Å²	55	15.8 Å²	15.8	39%	0.385	9%	0.092	S	C	.	.	S	Bend	trans	-71.5	-26.3	172.8	55	0	0	0	0	112.8	S482	S357-S482 WeakPolarHBondContact CA-OG 3.39Å
358	S	90	Very high	96.1	Very high	9 Å²	9	15 Å²	15	6%	0.063	9%	0.086	C	C	.	.	S	Bend	trans	-73.3	158.1	178.3	47.7	0	0	0	0	113.4	A356 E360 N398	A356-S358 VanDerWaalsContact C-N 3.3Å; S358-E360 WeakPolarHBondContact CB-OE1 3.4Å; S358-E360 PolarHBondContact O-N 2.99Å; S358-E360 VanDerWaalsContact O-N 3.15Å; S358-E360 PolarHBondContact OG-OE1 3Å; S358-N398 WeakPolarHBondContact CB-O 3.36Å
359	F	91.8	Very high	96.1	Very high	22 Å²	22	17.2 Å²	17.2	10%	0.096	10%	0.097	C	C	.	.			trans	-88.1	80.9	-178.9	-162.9	-132.7	0	0	0	111.3	S361 Q386 N398 G401 F480 M481	F359-S361 PolarHBondContact O-OG 3.48Å; F359-Q386 HydrophobicContact CZ-CB 4.13Å; F359-Q386 HydrophobicContact CZ-CG 3.99Å; F359-N398 PolarHBondContact N-O 3.43Å; F359-N398 WeakPolarHBondContact O-CA 3.17Å; F359-N398 VanDerWaalsContact O-CB 3.25Å; F359-N398 WeakPolarHBondContact O-CB 3.35Å; F359-G401 VanDerWaalsContact CD1-O 3.32Å; F359-G401 WeakPolarHBondContact CD1-O 3.31Å; F359-F480 WeakPolarHBondContact CD2-O 3.37Å; F359-M481 HydrophobicContact CD2-CB 4.36Å; F359-M481 HydrophobicContact CE2-CB 4.39Å
360	E	96.3	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.4	-171.3	-61.5	-61.7	110.1	0	0	111.9	S340 E341 Y342 L343 C354 A356 S358 N398 S479 F480	S340-E360 VanDerWaalsContact CB-CD 3.47Å; S340-E360 WeakPolarHBondContact CB-OE2 3.36Å; E341-E360 PolarHBondContact N-OE2 3.2Å; Y342-E360 PolarHBondContact N-OE2 2.62Å; L343-E360 HydrophobicContact CB-CB 4.1Å; L343-E360 HydrophobicContact CD1-CB 3.91Å; C354-E360 HydrophobicContact CB-CB 4.44Å; C354-E360 VanDerWaalsContact SG-CG 3.52Å; A356-E360 HydrophobicContact CB-CG 4.36Å; S358-E360 WeakPolarHBondContact CB-OE1 3.4Å; S358-E360 PolarHBondContact O-N 2.99Å; S358-E360 VanDerWaalsContact O-N 3.15Å; S358-E360 PolarHBondContact OG-OE1 3Å; E360-N398 PolarHBondContact OE1-ND2 3.39Å; E360-S479 CarbonylContact O-C 3.36Å; E360-S479 VanDerWaalsContact O-CA 3.24Å; E360-S479 WeakPolarHBondContact O-CA 3.37Å; E360-F480 PolarHBondContact N-O 2.93Å; E360-F480 PolarHBondContact O-N 3.32Å
361	S	97.1	Very high	96.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.2	-173.5	-58.3	0	0	0	0	112.6	V339 S340 F359 A478 S479	V339-S361 CarbonylContact C-O 3.54Å; V339-S361 VanDerWaalsContact CA-O 3.31Å; V339-S361 WeakPolarHBondContact CA-O 3.3Å; S340-S361 PolarHBondContact N-O 2.91Å; S340-S361 PolarHBondContact OG-N 3.32Å; S340-S361 PolarHBondContact OG-O 3.35Å; F359-S361 PolarHBondContact O-OG 3.48Å; S361-A478 CarbonylContact C-O 3.55Å; S361-A478 VanDerWaalsContact CA-O 3.27Å; S361-A478 WeakPolarHBondContact CA-O 3.45Å; S361-S479 WeakPolarHBondContact OG-CB 3.38Å; S361-S479 PolarHBondContact OG-OG 3.42Å
362	V	98.1	Very high	96.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.5	179.5	61.9	0	0	0	0	111.9	L334 V339 L343 I345 A477 A478 F480	L334-V362 HydrophobicContact CB-CG2 4.02Å; L334-V362 HydrophobicContact CD1-CG1 4.46Å; L334-V362 HydrophobicContact CD2-CG1 3.93Å; L334-V362 HydrophobicContact CD2-CG2 4.21Å; V339-V362 HydrophobicContact CB-CB 4.21Å; V339-V362 HydrophobicContact CB-CG2 3.93Å; V339-V362 HydrophobicContact CG2-CB 3.87Å; V339-V362 HydrophobicContact CG2-CG2 3.97Å; L343-V362 HydrophobicContact CD2-CB 3.68Å; L343-V362 HydrophobicContact CD2-CG1 3.61Å; L343-V362 HydrophobicContact CD2-CG2 4.44Å; I345-V362 HydrophobicContact CD1-CG2 4.27Å; V362-A477 CarbonylContact O-C 3.56Å; V362-A477 WeakPolarHBondContact O-CA 3.37Å; V362-A477 WeakPolarHBondContact O-CB 3.25Å; V362-A478 PolarHBondContact N-O 3.48Å; V362-A478 PolarHBondContact O-N 3.25Å; V362-F480 HydrophobicContact CG1-CE2 4.16Å
363	R	98.1	Very high	96.2	Very high	19 Å²	19	23 Å²	23	7%	0.072	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	155.2	165	-77.6	179.9	-72.2	-108.8	-13	111	N335 D338 T391 S394 F396 F475 A476 A477	N335-R363 WeakPolarHBondContact CB-O 3.36Å; N335-R363 PolarHBondContact N-O 2.99Å; D338-R363 PolarHBondContact O-N 3.23Å; D338-R363 VanDerWaalsContact O-N 3.16Å; D338-R363 IonicContact OD1-CZ 2.8Å; D338-R363 IonicContact OD1-NE 3.22Å; D338-R363 IonicContact OD1-NH2 3.51Å; D338-R363 PolarHBondContact OD1-NH2 2.93Å; D338-R363 IonicContact OD2-CZ 3.21Å; D338-R363 IonicContact OD2-NE 3.38Å; D338-R363 PolarHBondContact OD2-NE 3.13Å; D338-R363 IonicContact OD2-NH2 2.74Å; D338-R363 PolarHBondContact OD2-NH2 3.43Å; R363-T391 PolarHBondContact NH1-O 2.81Å; R363-S394 PolarHBondContact NH1-O 2.86Å; R363-S394 VanDerWaalsContact NH1-O 3.07Å; R363-F396 HydrophobicContact CG-CE2 4.11Å; R363-F396 HydrophobicContact CG-CZ 3.89Å; R363-F396 VanDerWaalsContact CZ-CZ 3.48Å; R363-F475 HydrophobicContact CB-CB 4.1Å; R363-F475 HydrophobicContact CB-CG 4.43Å; R363-F475 HydrophobicContact CG-CB 4.05Å; R363-A476 CarbonylContact C-O 3.52Å; R363-A477 HydrophobicContact CG-CB 3.92Å
364	C	98.4	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	170.8	169.9	72.5	0	0	0	0	112.2	M333 F366 F475 A476 F490	M333-C364 CarbonylContact O-C 3.59Å; M333-C364 WeakPolarHBondContact O-CA 3.43Å; M333-C364 WeakPolarHBondContact O-CB 3.41Å; C364-F366 VanDerWaalsContact C-N 3.33Å; C364-F366 PolarHBondContact O-N 3.41Å; C364-F366 PolarHBondContact SG-O 3Å; C364-F475 VanDerWaalsContact O-CD1 3.31Å; C364-F475 WeakPolarHBondContact O-CD1 3.45Å; C364-A476 HydrophobicContact CB-CB 4.26Å; C364-A476 PolarHBondContact N-O 3.34Å; C364-A476 PolarHBondContact SG-N 3.13Å; C364-A476 VanDerWaalsContact SG-N 3.41Å; C364-F490 HydrophobicContact CB-CE1 3.97Å; C364-F490 HydrophobicContact CB-CE2 4.3Å; C364-F490 HydrophobicContact CB-CZ 3.7Å
365	T	97.9	Very high	96.3	Very high	37 Å²	37	22.9 Å²	22.9	23%	0.227	14%	0.139	C	C	.	.	S	Bend	trans	-78.9	-11.8	-177.1	52.9	0	0	0	0	114.6	M333 N335 L512	M333-T365 HydrophobicContact CG-CG2 3.76Å; M333-T365 PolarHBondContact N-OG1 3.14Å; M333-T365 PolarHBondContact O-N 3.46Å; M333-T365 PolarHBondContact O-OG1 3.42Å; N335-T365 HydrophobicContact CB-CG2 3.78Å; T365-L512 HydrophobicContact CG2-CD2 4.15Å
366	F	97.8	Very high	96.4	Very high	50 Å²	50	22.8 Å²	22.8	22%	0.219	14%	0.138	C	C	.	.			trans	-121.9	128.9	-171.1	-174.7	-100.8	0	0	0	112.7	A332 C364 V368 W373 F475 F506 F509 A510	A332-F366 HydrophobicContact CB-CB 4.38Å; C364-F366 VanDerWaalsContact C-N 3.33Å; C364-F366 PolarHBondContact O-N 3.41Å; C364-F366 PolarHBondContact SG-O 3Å; F366-V368 HydrophobicContact CD1-CG1 3.95Å; F366-V368 HydrophobicContact CE1-CG1 3.89Å; F366-W373 HydrophobicContact CD1-CZ3 4.5Å; F366-W373 AromaticContact CE1-CH2 3.6Å; F366-W373 HydrophobicContact CE1-CH2 3.6Å; F366-W373 HydrophobicContact CE1-CZ2 4.32Å; F366-W373 AromaticContact CE1-CZ3 3.8Å; F366-W373 HydrophobicContact CE1-CZ3 3.8Å; F366-W373 HydrophobicContact CZ-CH2 4.19Å; F366-F475 VanDerWaalsContact O-CD1 3.29Å; F366-F475 WeakPolarHBondContact O-CD1 3.49Å; F366-F506 HydrophobicContact CB-CD1 4.11Å; F366-F506 AromaticContact CD1-CD1 3.81Å; F366-F506 HydrophobicContact CD1-CD1 3.81Å; F366-F506 HydrophobicContact CD1-CG 4.46Å; F366-F506 HydrophobicContact CG-CD1 4.45Å; F366-F509 HydrophobicContact CE1-CB 4.43Å; F366-F509 HydrophobicContact CZ-CB 4.16Å; F366-A510 HydrophobicContact CB-CB 3.82Å; F366-A510 HydrophobicContact CD1-CB 4.22Å; F366-A510 HydrophobicContact CD2-CB 3.39Å; F366-A510 HydrophobicContact CE2-CB 3.95Å; F366-A510 HydrophobicContact CG-CB 3.54Å
367	C	97.5	Very high	96.7	Very high	36 Å²	36	22.5 Å²	22.5	24%	0.243	14%	0.136	C	C	.	.			trans	-91.6	138.8	-178.9	-168.6	0	0	0	0	110.4	G473 F475	C367-G473 WeakPolarHBondContact SG-CA 3.5Å; C367-F475 HydrophobicContact CB-CD1 4.41Å; C367-F475 HydrophobicContact CB-CE1 3.59Å; C367-F475 HydrophobicContact CB-CE2 3.9Å; C367-F475 HydrophobicContact CB-CZ 3.27Å; C367-F475 VanDerWaalsContact SG-CE2 3.53Å; C367-F475 VanDerWaalsContact SG-CZ 3.52Å
368	V	96.8	Very high	97.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-117.7	126.1	175.2	-56.5	0	0	0	0	111.4	F366 W373 W389 L444 G473 F474 F506	F366-V368 HydrophobicContact CD1-CG1 3.95Å; F366-V368 HydrophobicContact CE1-CG1 3.89Å; V368-W373 HydrophobicContact CB-CD2 4.03Å; V368-W373 HydrophobicContact CB-CG 4.05Å; V368-W373 HydrophobicContact CB-CZ2 4.42Å; V368-W373 HydrophobicContact CG1-CD2 3.46Å; V368-W373 VanDerWaalsContact CG1-CD2 3.46Å; V368-W373 HydrophobicContact CG1-CE3 3.74Å; V368-W373 HydrophobicContact CG1-CG 3.84Å; V368-W373 HydrophobicContact CG1-CH2 4.26Å; V368-W373 HydrophobicContact CG1-CZ2 4.02Å; V368-W373 HydrophobicContact CG1-CZ3 4.12Å; V368-W373 HydrophobicContact CG2-CG 4.29Å; V368-W389 HydrophobicContact CG2-CZ3 3.86Å; V368-L444 HydrophobicContact CG2-CD2 3.58Å; V368-G473 PolarHBondContact O-N 3.24Å; V368-F474 HydrophobicContact CG2-CB 3.97Å; V368-F474 WeakPolarHBondContact CG2-O 3.36Å; V368-F474 PolarHBondContact N-O 3.16Å; V368-F474 PolarHBondContact O-N 3.34Å; V368-F506 HydrophobicContact CG1-CD1 4.45Å; V368-F506 HydrophobicContact CG1-CE1 4.03Å; V368-F506 HydrophobicContact CG1-CZ 4.32Å
369	D	96.3	Very high	97.7	Very high	91 Å²	91	20 Å²	20	49%	0.487	12%	0.117	S	C	.	.			trans	-117.5	-17.7	-172.5	-69.4	-63.2	0	0	0	114.6	G473	D369-G473 VanDerWaalsContact OD1-CA 3.24Å; D369-G473 WeakPolarHBondContact OD1-CA 3.33Å; D369-G473 PolarHBondContact OD1-N 3.09Å
370	S	97.2	Very high	98	Very high	87 Å²	87	18.9 Å²	18.9	61%	0.608	11%	0.113	S	C	*	.	S	Bend	trans	-155.9	163.3	177.9	64	0	0	0	0	112	W373 L446	S370-W373 PolarHBondContact O-NE1 3.4Å; S370-L446 VanDerWaalsContact N-CD1 3.31Å
371	G	97.8	Very high	98	Very high	21 Å²	21	19.4 Å²	19.4	22%	0.216	12%	0.116	C	C	.	.	S	Bend	trans	88.7	-158	176.1	0	0	0	0	0	114.5	L446	G371-L446 WeakPolarHBondContact O-CB 3.34Å; G371-L446 PolarHBondContact O-N 2.91Å
372	V	98.6	Very high	97.9	Very high	23 Å²	23	19.8 Å²	19.8	14%	0.139	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.8	-177.5	-174.6	0	0	0	0	108.6	L443 L444 D445 F503 S504	V372-L443 HydrophobicContact CG1-CD1 3.73Å; V372-L443 HydrophobicContact CG1-CG 4.29Å; V372-L444 CarbonylContact C-O 3.59Å; V372-L444 VanDerWaalsContact CA-O 3.29Å; V372-L444 WeakPolarHBondContact CA-O 3.48Å; V372-D445 HydrophobicContact CG1-CB 4.31Å; V372-D445 HydrophobicContact CG2-CB 4.26Å; V372-F503 HydrophobicContact CG1-CB 4.17Å; V372-F503 CarbonylContact O-C 3.5Å; V372-F503 WeakPolarHBondContact O-CA 3.27Å; V372-S504 PolarHBondContact O-N 3.06Å
373	W	98.8	Very high	97.7	Very high	18 Å²	18	19.8 Å²	19.8	7%	0.068	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.1	-172.7	-64.6	84.1	0	0	0	111.3	F366 V368 S370 W389 L443 L444 S504 T505 F506 F509	F366-W373 HydrophobicContact CD1-CZ3 4.5Å; F366-W373 AromaticContact CE1-CH2 3.6Å; F366-W373 HydrophobicContact CE1-CH2 3.6Å; F366-W373 HydrophobicContact CE1-CZ2 4.32Å; F366-W373 AromaticContact CE1-CZ3 3.8Å; F366-W373 HydrophobicContact CE1-CZ3 3.8Å; F366-W373 HydrophobicContact CZ-CH2 4.19Å; V368-W373 HydrophobicContact CB-CD2 4.03Å; V368-W373 HydrophobicContact CB-CG 4.05Å; V368-W373 HydrophobicContact CB-CZ2 4.42Å; V368-W373 HydrophobicContact CG1-CD2 3.46Å; V368-W373 VanDerWaalsContact CG1-CD2 3.46Å; V368-W373 HydrophobicContact CG1-CE3 3.74Å; V368-W373 HydrophobicContact CG1-CG 3.84Å; V368-W373 HydrophobicContact CG1-CH2 4.26Å; V368-W373 HydrophobicContact CG1-CZ2 4.02Å; V368-W373 HydrophobicContact CG1-CZ3 4.12Å; V368-W373 HydrophobicContact CG2-CG 4.29Å; S370-W373 PolarHBondContact O-NE1 3.4Å; W373-W389 HydrophobicContact CB-CH2 4.07Å; W373-L443 CarbonylContact O-C 3.58Å; W373-L443 WeakPolarHBondContact O-CA 3.32Å; W373-L444 PolarHBondContact N-O 3.48Å; W373-L444 PolarHBondContact O-N 3.17Å; W373-S504 WeakPolarHBondContact CA-O 3.36Å; W373-T505 VanDerWaalsContact CZ3-O 3.29Å; W373-T505 WeakPolarHBondContact CZ3-O 3.47Å; W373-F506 HydrophobicContact CE3-CD2 4.36Å; W373-F509 HydrophobicContact CH2-CB 3.62Å; W373-F509 HydrophobicContact CH2-CD1 4.26Å; W373-F509 AromaticContact CH2-CD2 3.95Å; W373-F509 HydrophobicContact CH2-CD2 3.95Å; W373-F509 AromaticContact CH2-CG 3.68Å; W373-F509 HydrophobicContact CH2-CG 3.68Å; W373-F509 HydrophobicContact CZ3-CB 4Å; W373-F509 HydrophobicContact CZ3-CD2 4.07Å; W373-F509 HydrophobicContact CZ3-CG 4.17Å
374	Y	98.8	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.2	177.6	-174.2	-105.8	0	0	0	111.8	E376 G441 F442 L443 Y454 F495 H497 P499 F503 S504	Y374-E376 HydrophobicContact CE1-CG 3.5Å; Y374-E376 VanDerWaalsContact CE1-CG 3.5Å; Y374-E376 VanDerWaalsContact OH-CG 3.23Å; Y374-E376 WeakPolarHBondContact OH-CG 3.29Å; Y374-E376 PolarHBondContact OH-OE1 3.04Å; Y374-G441 VanDerWaalsContact OH-CA 3.24Å; Y374-G441 WeakPolarHBondContact OH-CA 3.39Å; Y374-F442 VanDerWaalsContact CA-O 3.32Å; Y374-F442 WeakPolarHBondContact CA-O 3.29Å; Y374-F442 WeakPolarHBondContact CD2-O 3.45Å; Y374-L443 HydrophobicContact CD2-CB 4.1Å; Y374-L443 HydrophobicContact CD2-CD1 4.19Å; Y374-Y454 HydrophobicContact CE2-CD2 4.23Å; Y374-Y454 HydrophobicContact CE2-CE2 4.46Å; Y374-F495 HydrophobicContact CD1-CD1 4.27Å; Y374-F495 AromaticContact CD1-CD2 3.96Å; Y374-F495 HydrophobicContact CD1-CD2 3.96Å; Y374-F495 HydrophobicContact CD1-CE1 4.24Å; Y374-F495 AromaticContact CD1-CE2 3.93Å; Y374-F495 HydrophobicContact CD1-CE2 3.93Å; Y374-F495 HydrophobicContact CD1-CG 4.14Å; Y374-F495 HydrophobicContact CD1-CZ 4.07Å; Y374-F495 HydrophobicContact CE1-CB 4.32Å; Y374-F495 HydrophobicContact CE1-CD1 4.02Å; Y374-F495 HydrophobicContact CE1-CD2 4.15Å; Y374-F495 HydrophobicContact CE1-CE1 4.39Å; Y374-F495 AromaticContact CE1-CG 3.9Å; Y374-F495 HydrophobicContact CE1-CG 3.9Å; Y374-H497 PolarHBondContact OH-O 2.8Å; Y374-P499 HydrophobicContact CD1-CG 4.45Å; Y374-P499 HydrophobicContact CD2-CG 3.79Å; Y374-P499 HydrophobicContact CE2-CG 3.97Å; Y374-P499 HydrophobicContact CG-CG 4.05Å; Y374-F503 HydrophobicContact CD1-CE2 4.21Å; Y374-F503 HydrophobicContact CD1-CZ 4.29Å; Y374-F503 HydrophobicContact CG-CD2 4.45Å; Y374-S504 PolarHBondContact N-O 2.79Å; Y374-S504 VanDerWaalsContact N-O 3.11Å
375	Y	98.9	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162	165.8	73.2	-85.4	0	0	0	110.1	V377 G388 W389 F442 A476 F488 N489 F490 F506	Y375-V377 HydrophobicContact CD2-CG2 4.02Å; Y375-V377 HydrophobicContact CE2-CG2 3.69Å; Y375-G388 WeakPolarHBondContact OH-CA 3.38Å; Y375-G388 PolarHBondContact OH-O 3.32Å; Y375-W389 AromaticContact CD1-CH2 3.8Å; Y375-W389 HydrophobicContact CD1-CH2 3.8Å; Y375-W389 AromaticContact CD1-CZ2 3.68Å; Y375-W389 HydrophobicContact CD1-CZ2 3.68Å; Y375-W389 HydrophobicContact CE1-CD2 4.27Å; Y375-W389 AromaticContact CE1-CE2 3.73Å; Y375-W389 AromaticContact CE1-CH2 3.83Å; Y375-W389 HydrophobicContact CE1-CH2 3.83Å; Y375-W389 AromaticContact CE1-CZ2 3.48Å; Y375-W389 HydrophobicContact CE1-CZ2 3.48Å; Y375-W389 VanDerWaalsContact CE1-CZ2 3.48Å; Y375-W389 HydrophobicContact CE1-CZ3 4.34Å; Y375-F442 HydrophobicContact CD1-CB 3.68Å; Y375-F442 HydrophobicContact CD1-CG 4.45Å; Y375-F442 HydrophobicContact CD2-CB 4.39Å; Y375-F442 AromaticContact CD2-CD2 3.9Å; Y375-F442 HydrophobicContact CD2-CD2 3.9Å; Y375-F442 HydrophobicContact CD2-CG 4.44Å; Y375-F442 HydrophobicContact CE1-CB 3.26Å; Y375-F442 HydrophobicContact CE1-CD2 4.2Å; Y375-F442 AromaticContact CE1-CG 3.78Å; Y375-F442 HydrophobicContact CE1-CG 3.78Å; Y375-F442 HydrophobicContact CE2-CB 4.03Å; Y375-F442 AromaticContact CE2-CD2 3.34Å; Y375-F442 HydrophobicContact CE2-CD2 3.34Å; Y375-F442 AromaticContact CE2-CE2 3.94Å; Y375-F442 HydrophobicContact CE2-CE2 3.94Å; Y375-F442 AromaticContact CE2-CG 3.76Å; Y375-F442 HydrophobicContact CE2-CG 3.76Å; Y375-F442 HydrophobicContact CG-CB 4.22Å; Y375-F442 VanDerWaalsContact CZ-CB 3.43Å; Y375-F442 AromaticContact CZ-CD2 3.5Å; Y375-F442 VanDerWaalsContact CZ-CD2 3.5Å; Y375-F442 AromaticContact CZ-CG 3.36Å; Y375-F442 PolarHBondContact N-O 3.01Å; Y375-F442 PolarHBondContact O-N 2.92Å; Y375-F442 WeakPolarHBondContact OH-CG 3.3Å; Y375-A476 HydrophobicContact CD1-CB 3.87Å; Y375-A476 HydrophobicContact CD2-CB 4.36Å; Y375-A476 HydrophobicContact CE1-CB 3.47Å; Y375-A476 VanDerWaalsContact CE1-CB 3.47Å; Y375-A476 HydrophobicContact CE2-CB 4.01Å; Y375-A476 HydrophobicContact CG-CB 4.3Å; Y375-F488 HydrophobicContact CE2-CD1 4.29Å; Y375-N489 WeakPolarHBondContact CB-O 3.25Å; Y375-F490 HydrophobicContact CD2-CE1 4.29Å; Y375-F490 HydrophobicContact CG-CD1 4.44Å; Y375-F490 HydrophobicContact CG-CE1 4.46Å; Y375-F506 AromaticContact CD1-CE2 3.8Å; Y375-F506 HydrophobicContact CD1-CE2 3.8Å; Y375-F506 HydrophobicContact CD1-CZ 4.15Å; Y375-F506 HydrophobicContact CG-CE2 4.27Å
376	E	98.8	Very high	97.5	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.019	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.1	175.4	-75.6	-178.3	170.5	0	0	111.4	Y374 I440 N489 F495 R496 H497	Y374-E376 HydrophobicContact CE1-CG 3.5Å; Y374-E376 VanDerWaalsContact CE1-CG 3.5Å; Y374-E376 VanDerWaalsContact OH-CG 3.23Å; Y374-E376 WeakPolarHBondContact OH-CG 3.29Å; Y374-E376 PolarHBondContact OH-OE1 3.04Å; E376-I440 CarbonylContact C-O 3.56Å; E376-I440 VanDerWaalsContact CA-O 3.26Å; E376-I440 WeakPolarHBondContact CA-O 3.49Å; E376-N489 HydrophobicContact CB-CB 4.43Å; E376-N489 PolarHBondContact N-O 3.41Å; E376-N489 VanDerWaalsContact N-O 3.1Å; E376-N489 PolarHBondContact O-N 3.24Å; E376-F495 HydrophobicContact CB-CD1 3.92Å; E376-F495 HydrophobicContact CB-CE1 4.37Å; E376-F495 HydrophobicContact CG-CB 4.43Å; E376-F495 HydrophobicContact CG-CD1 3.68Å; E376-F495 HydrophobicContact CG-CE1 4.37Å; E376-F495 HydrophobicContact CG-CG 4.35Å; E376-F495 VanDerWaalsContact OE2-CA 3.3Å; E376-F495 WeakPolarHBondContact OE2-CA 3.31Å; E376-F495 WeakPolarHBondContact OE2-CB 3.29Å; E376-R496 PolarHBondContact OE2-N 3.35Å; E376-H497 WeakPolarHBondContact OE1-CA 3.22Å; E376-H497 PolarHBondContact OE1-N 3.03Å
377	V	98.9	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.5	170	178.1	0	0	0	0	109.2	Y375 I387 A439 I440 F442 C486 E487 F488	Y375-V377 HydrophobicContact CD2-CG2 4.02Å; Y375-V377 HydrophobicContact CE2-CG2 3.69Å; V377-I387 HydrophobicContact CG1-CD1 4.04Å; V377-I387 HydrophobicContact CG2-CG2 4.07Å; V377-A439 CarbonylContact O-C 3.22Å; V377-A439 WeakPolarHBondContact O-CA 3.5Å; V377-I440 PolarHBondContact N-O 3.04Å; V377-I440 PolarHBondContact O-N 3.24Å; V377-F442 HydrophobicContact CB-CE2 4.01Å; V377-F442 HydrophobicContact CG2-CD2 4.26Å; V377-F442 HydrophobicContact CG2-CE2 3.74Å; V377-C486 HydrophobicContact CG1-CB 3.58Å; V377-C486 VanDerWaalsContact CG1-SG 3.57Å; V377-E487 CarbonylContact C-O 3.56Å; V377-E487 VanDerWaalsContact CA-O 3.25Å; V377-E487 WeakPolarHBondContact CA-O 3.44Å; V377-F488 HydrophobicContact CG2-CD1 3.53Å; V377-F488 HydrophobicContact CG2-CE1 3.73Å; V377-F488 HydrophobicContact CG2-CG 4.15Å; V377-F488 HydrophobicContact CG2-CZ 4.49Å
378	T	98.7	Very high	97.6	Very high	10 Å²	10	13.7 Å²	13.7	6%	0.061	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.6	169.3	-57.4	0	0	0	0	109.1	V380 D438 C486 E487	T378-V380 PolarHBondContact O-N 3.43Å; T378-D438 WeakPolarHBondContact CA-O 3.39Å; T378-C486 WeakPolarHBondContact O-CA 3.32Å; T378-C486 WeakPolarHBondContact O-CB 3.33Å; T378-E487 PolarHBondContact N-O 3.36Å; T378-E487 PolarHBondContact O-N 3.39Å
379	V	98.4	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125	177.2	179.2	0	0	0	0	108.9	T381 M385 W434 G437 D438 I440	V379-T381 WeakPolarHBondContact CG1-O 3.17Å; V379-M385 HydrophobicContact CG1-CE 4.35Å; V379-W434 HydrophobicContact CG1-CD2 4.46Å; V379-W434 HydrophobicContact CG1-CG 4.33Å; V379-W434 HydrophobicContact CG2-CB 4.3Å; V379-W434 HydrophobicContact CG2-CD2 4.02Å; V379-W434 HydrophobicContact CG2-CE3 3.82Å; V379-W434 HydrophobicContact CG2-CG 4.25Å; V379-G437 PolarHBondContact O-N 3.24Å; V379-D438 HydrophobicContact CG2-CB 4.39Å; V379-D438 PolarHBondContact N-O 2.99Å; V379-I440 HydrophobicContact CG2-CD1 4.25Å; V379-I440 HydrophobicContact CG2-CG1 3.91Å
380	V	98.3	Very high	97.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-101.1	-27.2	174.1	175.3	0	0	0	0	110.9	Y296 Q300 T378 E436 Q485	Y296-V380 HydrophobicContact CD1-CB 4.33Å; Y296-V380 HydrophobicContact CD1-CG1 4.07Å; Y296-V380 HydrophobicContact CD1-CG2 4.19Å; Y296-V380 HydrophobicContact CE1-CG2 4.4Å; Q300-V380 HydrophobicContact CG-CG1 3.85Å; T378-V380 PolarHBondContact O-N 3.43Å; V380-E436 VanDerWaalsContact O-CG 3.25Å; V380-E436 WeakPolarHBondContact O-CG 3.43Å; V380-Q485 HydrophobicContact CB-CB 4.01Å; V380-Q485 HydrophobicContact CB-CG 3.86Å; V380-Q485 WeakPolarHBondContact CB-O 3.05Å; V380-Q485 HydrophobicContact CG1-CB 4.08Å; V380-Q485 HydrophobicContact CG1-CG 3.84Å; V380-Q485 HydrophobicContact CG2-CG 4.3Å; V380-Q485 PolarHBondContact N-O 3.17Å; V380-Q485 VanDerWaalsContact N-O 3.11Å
381	T	97.3	Very high	97.8	Very high	10 Å²	10	5.4 Å²	5.4	6%	0.061	4%	0.035	C	C	.	.	S	Bend	trans	-134.7	143.6	173.7	60.5	0	0	0	0	111.4	Q300 V379 G383 M385 Q484 Q485	Q300-T381 VanDerWaalsContact CD-CG2 3.41Å; Q300-T381 HydrophobicContact CG-CG2 4.31Å; V379-T381 WeakPolarHBondContact CG1-O 3.17Å; T381-G383 PolarHBondContact O-N 2.91Å; T381-M385 WeakPolarHBondContact O-CE 2.97Å; T381-Q484 VanDerWaalsContact OG1-CA 3.24Å; T381-Q484 WeakPolarHBondContact OG1-CA 3.46Å; T381-Q484 PolarHBondContact OG1-OE1 3.1Å; T381-Q485 HydrophobicContact CG2-CB 4.12Å; T381-Q485 PolarHBondContact N-O 2.92Å; T381-Q485 PolarHBondContact OG1-N 2.93Å; T381-Q485 PolarHBondContact OG1-O 3.2Å
382	S	94.6	Very high	97.6	Very high	9 Å²	9	11.1 Å²	11.1	6%	0.063	5%	0.054	C	C	.	.			trans	-88.8	12.9	-172.6	-51.4	0	0	0	0	115.9	C416 W434 K435 E436	S382-C416 PolarHBondContact O-SG 3.44Å; S382-W434 PolarHBondContact O-NE1 2.98Å; S382-K435 VanDerWaalsContact OG-CA 3.29Å; S382-K435 WeakPolarHBondContact OG-CA 3.37Å; S382-E436 WeakPolarHBondContact CB-OE1 3.37Å; S382-E436 PolarHBondContact N-OE1 3.44Å; S382-E436 PolarHBondContact OG-N 3.42Å; S382-E436 PolarHBondContact OG-OE1 3.46Å; S382-E436 PolarHBondContact OG-OE2 3.39Å; S382-E436 VanDerWaalsContact OG-OE2 3.12Å
383	G	94.1	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-85.9	-166.4	-179	0	0	0	0	0	113.8	T381 M385 C416 W434 Q484	T381-G383 PolarHBondContact O-N 2.91Å; G383-M385 PolarHBondContact O-N 3.17Å; G383-C416 VanDerWaalsContact O-CB 3.26Å; G383-C416 WeakPolarHBondContact O-CB 3.47Å; G383-W434 VanDerWaalsContact O-CZ2 3.3Å; G383-W434 WeakPolarHBondContact O-CZ2 3.39Å; G383-W434 PolarHBondContact O-NE1 3.01Å; G383-Q484 VanDerWaalsContact CA-CD 3.45Å
384	V	95.1	Very high	97	Very high	11 Å²	11	14.3 Å²	14.3	7%	0.067	7%	0.072	C	C	.	.			trans	-74.8	115.9	-170.5	-179.2	0	0	0	0	111.8	L167 C416 R417 M481 Q484	L167-V384 HydrophobicContact CD2-CG2 3.92Å; V384-C416 HydrophobicContact CG2-CB 4.33Å; V384-R417 HydrophobicContact CG2-CG 4.27Å; V384-M481 HydrophobicContact CB-CB 4.02Å; V384-M481 HydrophobicContact CB-SD 3.89Å; V384-M481 HydrophobicContact CG1-CB 4.49Å; V384-M481 HydrophobicContact CG2-SD 4.15Å; V384-M481 WeakPolarHBondContact O-CB 3.37Å; V384-M481 PolarHBondContact O-N 3.24Å; V384-M481 VanDerWaalsContact O-N 3.11Å; V384-Q484 WeakPolarHBondContact O-CG 3.42Å
385	M	97.2	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.7	170	-62.5	172.3	-78	0	0	108.3	V379 T381 G383 I387 D414 W434 S479 F480 Q484 C486	V379-M385 HydrophobicContact CG1-CE 4.35Å; T381-M385 WeakPolarHBondContact O-CE 2.97Å; G383-M385 PolarHBondContact O-N 3.17Å; M385-I387 HydrophobicContact CB-CD1 4.34Å; M385-I387 HydrophobicContact CB-CG1 4.2Å; M385-D414 WeakPolarHBondContact O-CA 3.26Å; M385-W434 HydrophobicContact CB-CH2 3.77Å; M385-W434 HydrophobicContact CB-CZ2 3.9Å; M385-W434 HydrophobicContact CE-CH2 4.05Å; M385-W434 HydrophobicContact CE-CZ2 3.65Å; M385-W434 WeakPolarHBondContact O-CH2 3.47Å; M385-S479 CarbonylContact C-O 3.54Å; M385-S479 VanDerWaalsContact CA-O 3.3Å; M385-S479 WeakPolarHBondContact CA-O 3.36Å; M385-F480 HydrophobicContact CG-CD1 3.76Å; M385-F480 HydrophobicContact CG-CE1 4.31Å; M385-F480 HydrophobicContact CG-CG 4.46Å; M385-F480 HydrophobicContact SD-CD1 3.57Å; M385-F480 VanDerWaalsContact SD-CD1 3.57Å; M385-F480 HydrophobicContact SD-CE1 3.64Å; M385-Q484 HydrophobicContact CG-CB 3.55Å; M385-Q484 HydrophobicContact CG-CG 4.03Å; M385-Q484 HydrophobicContact SD-CB 3.81Å; M385-C486 HydrophobicContact SD-CB 4.22Å
386	Q	97.9	Very high	95.7	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.014	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.4	172.4	-76.7	173.3	-16.7	0	0	107.9	F359 I404 A412 D414 W421 A478 S479	F359-Q386 HydrophobicContact CZ-CB 4.13Å; F359-Q386 HydrophobicContact CZ-CG 3.99Å; Q386-I404 PolarHBondContact OE1-O 3.22Å; Q386-A412 HydrophobicContact CB-CB 3.74Å; Q386-A412 HydrophobicContact CG-CB 4.35Å; Q386-D414 HydrophobicContact CG-CB 4.46Å; Q386-W421 HydrophobicContact CG-CG 4.31Å; Q386-W421 VanDerWaalsContact NE2-CE2 3.34Å; Q386-A478 CarbonylContact O-C 3.54Å; Q386-A478 VanDerWaalsContact O-CA 3.26Å; Q386-A478 WeakPolarHBondContact O-CA 3.27Å; Q386-S479 PolarHBondContact N-O 2.94Å; Q386-S479 PolarHBondContact O-N 3.39Å
387	I	98.8	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.4	-173.2	-50.7	179.3	0	0	0	108.7	V377 M385 A412 Y413 W434 F442 A478 F488	V377-I387 HydrophobicContact CG1-CD1 4.04Å; V377-I387 HydrophobicContact CG2-CG2 4.07Å; M385-I387 HydrophobicContact CB-CD1 4.34Å; M385-I387 HydrophobicContact CB-CG1 4.2Å; I387-A412 WeakPolarHBondContact O-CA 3.39Å; I387-Y413 PolarHBondContact N-O 3.18Å; I387-Y413 PolarHBondContact O-N 2.89Å; I387-W434 HydrophobicContact CD1-CH2 4.3Å; I387-W434 HydrophobicContact CD1-CZ3 4.25Å; I387-F442 HydrophobicContact CB-CE1 4.16Å; I387-F442 HydrophobicContact CB-CZ 3.68Å; I387-F442 HydrophobicContact CG2-CE1 3.93Å; I387-F442 HydrophobicContact CG2-CE2 3.76Å; I387-F442 HydrophobicContact CG2-CZ 3.34Å; I387-F442 WeakPolarHBondContact O-CE1 3.47Å; I387-A478 HydrophobicContact CB-CB 4.44Å; I387-A478 HydrophobicContact CG1-CB 4.07Å; I387-A478 HydrophobicContact CG2-CB 4.25Å; I387-F488 HydrophobicContact CG2-CE1 4.28Å
388	G	98.5	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-134.5	179.2	0	0	0	0	0	113.3	Y375 C411 A477	Y375-G388 WeakPolarHBondContact OH-CA 3.38Å; Y375-G388 PolarHBondContact OH-O 3.32Å; G388-C411 WeakPolarHBondContact CA-O 3.25Å; G388-A477 PolarHBondContact N-O 2.56Å; G388-A477 PolarHBondContact O-N 3.43Å
389	W	98.6	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.6	-171.4	-60.6	95.1	0	0	0	110.6	V368 W373 Y375 S410 C411 F442 L444 M451 F474 F475 F506	V368-W389 HydrophobicContact CG2-CZ3 3.86Å; W373-W389 HydrophobicContact CB-CH2 4.07Å; Y375-W389 AromaticContact CD1-CH2 3.8Å; Y375-W389 HydrophobicContact CD1-CH2 3.8Å; Y375-W389 AromaticContact CD1-CZ2 3.68Å; Y375-W389 HydrophobicContact CD1-CZ2 3.68Å; Y375-W389 HydrophobicContact CE1-CD2 4.27Å; Y375-W389 AromaticContact CE1-CE2 3.73Å; Y375-W389 AromaticContact CE1-CH2 3.83Å; Y375-W389 HydrophobicContact CE1-CH2 3.83Å; Y375-W389 AromaticContact CE1-CZ2 3.48Å; Y375-W389 HydrophobicContact CE1-CZ2 3.48Å; Y375-W389 VanDerWaalsContact CE1-CZ2 3.48Å; Y375-W389 HydrophobicContact CE1-CZ3 4.34Å; W389-S410 CarbonylContact O-C 3.59Å; W389-S410 WeakPolarHBondContact O-CA 3.48Å; W389-S410 WeakPolarHBondContact O-CB 3.32Å; W389-C411 PolarHBondContact N-O 2.9Å; W389-C411 PolarHBondContact O-N 3.44Å; W389-F442 HydrophobicContact CZ2-CB 4.29Å; W389-L444 HydrophobicContact CD2-CB 4.05Å; W389-L444 HydrophobicContact CD2-CD2 4.02Å; W389-L444 HydrophobicContact CE3-CB 4.35Å; W389-L444 HydrophobicContact CE3-CD2 3.69Å; W389-L444 HydrophobicContact CH2-CB 3.69Å; W389-L444 HydrophobicContact CH2-CD2 4.07Å; W389-L444 HydrophobicContact CZ2-CB 3.37Å; W389-L444 HydrophobicContact CZ2-CD2 4.41Å; W389-L444 HydrophobicContact CZ3-CB 4.15Å; W389-L444 HydrophobicContact CZ3-CD2 3.68Å; W389-M451 HydrophobicContact CB-CE 3.51Å; W389-M451 HydrophobicContact CB-SD 3.92Å; W389-M451 HydrophobicContact CG-CE 3.95Å; W389-M451 HydrophobicContact CG-SD 4.04Å; W389-F474 HydrophobicContact CB-CD1 3.93Å; W389-F474 HydrophobicContact CE3-CB 4.02Å; W389-F475 WeakPolarHBondContact CA-O 3.37Å; W389-F506 AromaticContact CH2-CE2 3.79Å; W389-F506 HydrophobicContact CH2-CE2 3.79Å; W389-F506 AromaticContact CH2-CZ 3.55Å; W389-F506 HydrophobicContact CH2-CZ 3.55Å; W389-F506 HydrophobicContact CZ3-CE1 4.43Å; W389-F506 HydrophobicContact CZ3-CE2 4.21Å; W389-F506 AromaticContact CZ3-CZ 3.48Å; W389-F506 HydrophobicContact CZ3-CZ 3.48Å; W389-F506 VanDerWaalsContact CZ3-CZ 3.48Å
390	A	98.1	Very high	92.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.5	175.2	0	0	0	0	0	110.6	F396 I404 F474 F475 A477	A390-F396 HydrophobicContact CB-CZ 4.45Å; A390-I404 HydrophobicContact CB-CD1 4.19Å; A390-I404 HydrophobicContact CB-CG2 4.37Å; A390-F474 CarbonylContact O-C 3.35Å; A390-F475 PolarHBondContact N-O 2.88Å; A390-F475 PolarHBondContact O-N 3.08Å; A390-A477 HydrophobicContact CB-CB 3.73Å
391	T	97.7	Very high	92	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.025	20%	0.202	C	C	.	.			trans	-90.6	-178.5	167.7	78.6	0	0	0	0	111.1	R363 D393 S394 Y409 A470 G473 F474	R363-T391 PolarHBondContact NH1-O 2.81Å; T391-D393 PolarHBondContact OG1-N 3.16Å; T391-D393 VanDerWaalsContact OG1-N 3.1Å; T391-S394 WeakPolarHBondContact O-CB 3.09Å; T391-S394 PolarHBondContact O-N 2.93Å; T391-Y409 PolarHBondContact N-O 3.48Å; T391-Y409 VanDerWaalsContact N-O 3.16Å; T391-Y409 WeakPolarHBondContact OG1-CB 3.24Å; T391-A470 HydrophobicContact CG2-CB 3.62Å; T391-G473 WeakPolarHBondContact CA-O 3.24Å; T391-G473 WeakPolarHBondContact CB-O 3.47Å; T391-F474 HydrophobicContact CG2-CD1 3.87Å; T391-F474 HydrophobicContact CG2-CE1 3.81Å; T391-F474 HydrophobicContact CG2-CG 4.33Å; T391-F474 HydrophobicContact CG2-CZ 4.24Å
392	K	93.8	Very high	91.5	Very high	142 Å²	142	44.3 Å²	44.3	62%	0.617	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21	170.5	-70.9	-172.2	-180	179.6	0	113.5	F475	K392-F475 HydrophobicContact CD-CE2 4.41Å; K392-F475 HydrophobicContact CD-CZ 4.45Å; K392-F475 HydrophobicContact CG-CE2 3.69Å; K392-F475 HydrophobicContact CG-CZ 4.13Å
393	D	93.4	Very high	91.4	Very high	103 Å²	103	43.9 Å²	43.9	55%	0.551	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.4	178.8	-57.5	-47.7	0	0	0	111.5	T391 K395 Y409	T391-D393 PolarHBondContact OG1-N 3.16Å; T391-D393 VanDerWaalsContact OG1-N 3.1Å; D393-K395 PolarHBondContact O-N 3.23Å; D393-Y409 HydrophobicContact CB-CD1 4.14Å; D393-Y409 HydrophobicContact CB-CD2 3.65Å; D393-Y409 HydrophobicContact CB-CE1 4.33Å; D393-Y409 HydrophobicContact CB-CE2 3.84Å; D393-Y409 HydrophobicContact CB-CG 3.8Å
394	S	92.1	Very high	91.4	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	21%	0.212	C	C	.	.			trans	-62.6	133.2	172.2	-69.9	0	0	0	0	112.1	R363 T391 D407 Y409 S410	R363-S394 PolarHBondContact NH1-O 2.86Å; R363-S394 VanDerWaalsContact NH1-O 3.07Å; T391-S394 WeakPolarHBondContact O-CB 3.09Å; T391-S394 PolarHBondContact O-N 2.93Å; S394-D407 WeakPolarHBondContact CA-OD2 3.42Å; S394-D407 WeakPolarHBondContact CB-OD2 3.34Å; S394-D407 PolarHBondContact OG-OD1 2.93Å; S394-D407 PolarHBondContact OG-OD2 2.7Å; S394-Y409 VanDerWaalsContact OG-C 3.3Å; S394-Y409 WeakPolarHBondContact OG-CB 3.27Å; S394-Y409 PolarHBondContact OG-O 2.84Å; S394-S410 WeakPolarHBondContact OG-CB 3.34Å
395	K	84.8	Confident	91.4	Very high	159 Å²	159	43.3 Å²	43.3	69%	0.691	21%	0.209	S	C	*	.			trans	-108.9	122.2	-176.6	-65.6	177.4	-175.1	168.9	0	109.4	D393 D407	D393-K395 PolarHBondContact O-N 3.23Å; K395-D407 PolarHBondContact N-OD2 3.03Å
396	F	85	Confident	91.3	Very high	36 Å²	36	44.4 Å²	44.4	16%	0.158	22%	0.215	C	C	.	.			trans	-97.7	117.3	175.9	-48.7	-34.5	0	0	0	109	R363 A390 I404	R363-F396 HydrophobicContact CG-CE2 4.11Å; R363-F396 HydrophobicContact CG-CZ 3.89Å; R363-F396 VanDerWaalsContact CZ-CZ 3.48Å; A390-F396 HydrophobicContact CB-CZ 4.45Å; F396-I404 HydrophobicContact CD1-CD1 3.92Å; F396-I404 HydrophobicContact CE1-CD1 3.16Å; F396-I404 HydrophobicContact CE2-CD1 4.47Å; F396-I404 HydrophobicContact CZ-CD1 3.48Å; F396-I404 VanDerWaalsContact CZ-CD1 3.48Å
397	L	84.7	Confident	91.1	Very high	63 Å²	63	45.3 Å²	45.3	33%	0.33	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-116.8	73.8	176.2	-54.3	172.2	0	0	0	107.6	H399 E400 G401 Y402	L397-H399 VanDerWaalsContact C-N 3.26Å; L397-H399 PolarHBondContact O-N 3.29Å; L397-E400 HydrophobicContact CB-CB 4Å; L397-E400 HydrophobicContact CB-CG 4.32Å; L397-E400 CarbonylContact O-C 3.58Å; L397-E400 WeakPolarHBondContact O-CA 3.27Å; L397-E400 PolarHBondContact O-N 2.95Å; L397-G401 PolarHBondContact O-N 3.49Å; L397-G401 VanDerWaalsContact O-N 3.17Å; L397-Y402 CarbonylContact C-O 3.56Å; L397-Y402 HydrophobicContact CB-CD2 4.16Å; L397-Y402 HydrophobicContact CD1-CD2 3.99Å; L397-Y402 PolarHBondContact N-O 3.43Å; L397-Y402 PolarHBondContact O-N 2.92Å; L397-Y402 VanDerWaalsContact O-N 3.1Å
398	N	83.2	Confident	91	Very high	27 Å²	27	49 Å²	49	14%	0.144	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.7	-36.6	-172.6	63.4	-42.2	0	0	0	113.7	S358 F359 E360 G401	S358-N398 WeakPolarHBondContact CB-O 3.36Å; F359-N398 PolarHBondContact N-O 3.43Å; F359-N398 WeakPolarHBondContact O-CA 3.17Å; F359-N398 VanDerWaalsContact O-CB 3.25Å; F359-N398 WeakPolarHBondContact O-CB 3.35Å; E360-N398 PolarHBondContact OE1-ND2 3.39Å; N398-G401 PolarHBondContact O-N 3.16Å
399	H	84.3	Confident	90.9	Very high	140 Å²	140	52 Å²	52	65%	0.648	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-78	-18.1	177.6	-64.1	-67.9	0	0	0	114	L397	L397-H399 VanDerWaalsContact C-N 3.26Å; L397-H399 PolarHBondContact O-N 3.29Å
400	E	82.1	Confident	90.9	Very high	114 Å²	114	52 Å²	52	53%	0.533	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-95.9	2.4	174.4	-62.9	178.5	-146.5	0	0	111.6	N129 L397 Y402	N129-E400 PolarHBondContact ND2-O 2.99Å; N129-E400 VanDerWaalsContact ND2-O 3.14Å; L397-E400 HydrophobicContact CB-CB 4Å; L397-E400 HydrophobicContact CB-CG 4.32Å; L397-E400 CarbonylContact O-C 3.58Å; L397-E400 WeakPolarHBondContact O-CA 3.27Å; L397-E400 PolarHBondContact O-N 2.95Å; E400-Y402 VanDerWaalsContact C-N 3.27Å; E400-Y402 HydrophobicContact CB-CD2 3.66Å; E400-Y402 HydrophobicContact CB-CE2 4Å; E400-Y402 PolarHBondContact O-N 3.25Å
401	G	81.8	Confident	90.9	Very high	30 Å²	30	52 Å²	52	31%	0.309	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	8.9	-178.7	0	0	0	0	0	114.6	F359 L397 N398	F359-G401 VanDerWaalsContact CD1-O 3.32Å; F359-G401 WeakPolarHBondContact CD1-O 3.31Å; L397-G401 PolarHBondContact O-N 3.49Å; L397-G401 VanDerWaalsContact O-N 3.17Å; N398-G401 PolarHBondContact O-N 3.16Å
402	Y	86.4	Confident	90.9	Very high	84 Å²	84	51.9 Å²	51.9	33%	0.329	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-89.9	120.1	179.6	-63.2	-61.2	0	0	0	112.1	L397 E400 D406	L397-Y402 CarbonylContact C-O 3.56Å; L397-Y402 HydrophobicContact CB-CD2 4.16Å; L397-Y402 HydrophobicContact CD1-CD2 3.99Å; L397-Y402 PolarHBondContact N-O 3.43Å; L397-Y402 PolarHBondContact O-N 2.92Å; L397-Y402 VanDerWaalsContact O-N 3.1Å; E400-Y402 VanDerWaalsContact C-N 3.27Å; E400-Y402 HydrophobicContact CB-CD2 3.66Å; E400-Y402 HydrophobicContact CB-CE2 4Å; E400-Y402 PolarHBondContact O-N 3.25Å; Y402-D406 WeakPolarHBondContact CA-OD2 3.42Å; Y402-D406 HydrophobicContact CD1-CB 3.71Å; Y402-D406 HydrophobicContact CG-CB 4.39Å
403	G	91.5	Very high	91.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.			trans	-127.3	-145.7	179.8	0	0	0	0	0	113.5	G405 D406 S479	G403-G405 PolarHBondContact O-N 3.12Å; G403-D406 PolarHBondContact N-OD2 3.45Å; G403-D406 PolarHBondContact O-N 2.88Å; G403-S479 WeakPolarHBondContact CA-OG 3.42Å
404	I	95.5	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	126.7	-179.6	-47.4	-45.1	0	0	0	109.9	Q386 A390 F396 A412 A477 S479	Q386-I404 PolarHBondContact OE1-O 3.22Å; A390-I404 HydrophobicContact CB-CD1 4.19Å; A390-I404 HydrophobicContact CB-CG2 4.37Å; F396-I404 HydrophobicContact CD1-CD1 3.92Å; F396-I404 HydrophobicContact CE1-CD1 3.16Å; F396-I404 HydrophobicContact CE2-CD1 4.47Å; F396-I404 HydrophobicContact CZ-CD1 3.48Å; F396-I404 VanDerWaalsContact CZ-CD1 3.48Å; I404-A412 HydrophobicContact CB-CB 4.05Å; I404-A412 HydrophobicContact CG2-CB 3.9Å; I404-A412 WeakPolarHBondContact O-CB 3.46Å; I404-A477 HydrophobicContact CD1-CB 3.66Å; I404-A477 HydrophobicContact CG1-CB 3.84Å; I404-A477 HydrophobicContact CG2-CB 4.38Å; I404-S479 WeakPolarHBondContact CG1-OG 3.45Å; I404-S479 PolarHBondContact N-OG 3.19Å
405	G	95	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-3.5	-176.9	0	0	0	0	0	113.4	G403 D407 S410 Y422 N423 A424	G403-G405 PolarHBondContact O-N 3.12Å; G405-D407 VanDerWaalsContact C-N 3.34Å; G405-S410 WeakPolarHBondContact CA-OG 3.42Å; G405-S410 PolarHBondContact N-OG 2.77Å; G405-Y422 CarbonylContact O-C 3.59Å; G405-Y422 WeakPolarHBondContact O-CA 3.47Å; G405-Y422 PolarHBondContact O-N 3.18Å; G405-Y422 VanDerWaalsContact O-N 3.17Å; G405-N423 PolarHBondContact O-N 3.43Å; G405-A424 PolarHBondContact O-N 3.36Å; G405-A424 VanDerWaalsContact O-N 3.16Å
406	D	93.7	Very high	92.1	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	16%	0.157	C	C	.	.	S	Bend	trans	-95.2	9.6	178.8	-60.7	-35.4	0	0	0	113.7	Y402 G403 A424	Y402-D406 WeakPolarHBondContact CA-OD2 3.42Å; Y402-D406 HydrophobicContact CD1-CB 3.71Å; Y402-D406 HydrophobicContact CG-CB 4.39Å; G403-D406 PolarHBondContact N-OD2 3.45Å; G403-D406 PolarHBondContact O-N 2.88Å; D406-A424 HydrophobicContact CB-CB 4.43Å
407	D	94.5	Very high	92.6	Very high	22 Å²	22	32.7 Å²	32.7	12%	0.118	16%	0.157	C	C	.	.	S	Bend	trans	-135.8	175	171.8	63.1	39.7	0	0	0	111.7	S394 K395 G405 Y409 S410 N423	S394-D407 WeakPolarHBondContact CA-OD2 3.42Å; S394-D407 WeakPolarHBondContact CB-OD2 3.34Å; S394-D407 PolarHBondContact OG-OD1 2.93Å; S394-D407 PolarHBondContact OG-OD2 2.7Å; K395-D407 PolarHBondContact N-OD2 3.03Å; G405-D407 VanDerWaalsContact C-N 3.34Å; D407-Y409 PolarHBondContact O-N 3.2Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.43Å; D407-Y409 PolarHBondContact OD1-N 3.19Å; D407-S410 WeakPolarHBondContact OD1-CB 3.39Å; D407-S410 PolarHBondContact OD1-N 3.19Å; D407-S410 PolarHBondContact OD1-OG 3.02Å; D407-N423 VanDerWaalsContact O-CA 3.31Å; D407-N423 WeakPolarHBondContact O-CA 3.32Å; D407-N423 PolarHBondContact O-N 2.97Å
408	E	95.8	Very high	93.2	Very high	76 Å²	76	33 Å²	33	36%	0.355	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.1	-179.5	64	-175.9	-176.3	0	0	114	S469	E408-S469 WeakPolarHBondContact O-CB 3.35Å
409	Y	97.2	Very high	93.8	Very high	65 Å²	65	32.6 Å²	32.6	26%	0.255	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	4.2	-173.3	-55.6	-62.4	0	0	0	113.4	T391 D393 S394 D407 A470	T391-Y409 PolarHBondContact N-O 3.48Å; T391-Y409 VanDerWaalsContact N-O 3.16Å; T391-Y409 WeakPolarHBondContact OG1-CB 3.24Å; D393-Y409 HydrophobicContact CB-CD1 4.14Å; D393-Y409 HydrophobicContact CB-CD2 3.65Å; D393-Y409 HydrophobicContact CB-CE1 4.33Å; D393-Y409 HydrophobicContact CB-CE2 3.84Å; D393-Y409 HydrophobicContact CB-CG 3.8Å; S394-Y409 VanDerWaalsContact OG-C 3.3Å; S394-Y409 WeakPolarHBondContact OG-CB 3.27Å; S394-Y409 PolarHBondContact OG-O 2.84Å; D407-Y409 PolarHBondContact O-N 3.2Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.43Å; D407-Y409 PolarHBondContact OD1-N 3.19Å; Y409-A470 HydrophobicContact CD1-CB 4.34Å
410	S	97.6	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.2	-179.1	58.1	0	0	0	0	112.7	W389 S394 G405 D407 Y422	W389-S410 CarbonylContact O-C 3.59Å; W389-S410 WeakPolarHBondContact O-CA 3.48Å; W389-S410 WeakPolarHBondContact O-CB 3.32Å; S394-S410 WeakPolarHBondContact OG-CB 3.34Å; G405-S410 WeakPolarHBondContact CA-OG 3.42Å; G405-S410 PolarHBondContact N-OG 2.77Å; D407-S410 WeakPolarHBondContact OD1-CB 3.39Å; D407-S410 PolarHBondContact OD1-N 3.19Å; D407-S410 PolarHBondContact OD1-OG 3.02Å; S410-Y422 WeakPolarHBondContact O-CD2 3.41Å
411	C	98.2	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	133.9	173.7	-178.1	0	0	0	0	109.4	G388 W389 W421 M451 V466	G388-C411 WeakPolarHBondContact CA-O 3.25Å; W389-C411 PolarHBondContact N-O 2.9Å; W389-C411 PolarHBondContact O-N 3.44Å; C411-W421 WeakPolarHBondContact CA-O 3.26Å; C411-W421 PolarHBondContact SG-O 3.44Å; C411-W421 VanDerWaalsContact SG-O 3.41Å; C411-M451 HydrophobicContact CB-SD 3.86Å; C411-V466 HydrophobicContact CB-CB 4.35Å
412	A	98.3	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.8	-175.5	0	0	0	0	0	113.7	Q386 I387 I404 I420 W421	Q386-A412 HydrophobicContact CB-CB 3.74Å; Q386-A412 HydrophobicContact CG-CB 4.35Å; I387-A412 WeakPolarHBondContact O-CA 3.39Å; I404-A412 HydrophobicContact CB-CB 4.05Å; I404-A412 HydrophobicContact CG2-CB 3.9Å; I404-A412 WeakPolarHBondContact O-CB 3.46Å; A412-I420 CarbonylContact O-C 3.51Å; A412-I420 WeakPolarHBondContact O-CA 3.45Å; A412-W421 HydrophobicContact CB-CB 4.29Å; A412-W421 PolarHBondContact N-O 3.01Å; A412-W421 PolarHBondContact O-N 2.94Å
413	Y	98.7	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.4	167.5	177.3	-88.3	0	0	0	109.5	I387 G415 I420 H429 H431 W434 I440 F453 L460	I387-Y413 PolarHBondContact N-O 3.18Å; I387-Y413 PolarHBondContact O-N 2.89Å; Y413-G415 VanDerWaalsContact CE1-CA 3.49Å; Y413-I420 HydrophobicContact CD2-CD1 3.71Å; Y413-I420 HydrophobicContact CG-CD1 4.43Å; Y413-H429 AromaticContact CD2-NE2 3.81Å; Y413-H429 AromaticContact CE2-CD2 3.72Å; Y413-H429 AromaticContact CE2-CE1 3.73Å; Y413-H429 AromaticContact CE2-NE2 3.22Å; Y413-H429 WeakPolarHBondContact CE2-NE2 3.18Å; Y413-H429 AromaticContact CZ-CE1 3.86Å; Y413-H429 AromaticContact CZ-NE2 3.56Å; Y413-H431 AromaticContact CE2-ND1 3.7Å; Y413-H431 AromaticContact CZ-ND1 3.89Å; Y413-H431 WeakPolarHBondContact OH-CB 3.45Å; Y413-H431 PolarHBondContact OH-ND1 3.02Å; Y413-W434 HydrophobicContact CD1-CE3 4.36Å; Y413-W434 AromaticContact CD1-CZ3 3.94Å; Y413-W434 HydrophobicContact CD1-CZ3 3.94Å; Y413-W434 AromaticContact CE1-CE3 3.87Å; Y413-W434 HydrophobicContact CE1-CE3 3.87Å; Y413-W434 AromaticContact CE1-CZ3 3.92Å; Y413-W434 HydrophobicContact CE1-CZ3 3.92Å; Y413-I440 HydrophobicContact CD1-CG2 3.92Å; Y413-I440 HydrophobicContact CE1-CD1 4.15Å; Y413-I440 HydrophobicContact CE1-CG2 4.01Å; Y413-I440 HydrophobicContact CG-CG2 4.48Å; Y413-F453 HydrophobicContact CD2-CB 3.77Å; Y413-F453 HydrophobicContact CD2-CD2 4.42Å; Y413-F453 HydrophobicContact CD2-CG 4.05Å; Y413-F453 HydrophobicContact CE2-CB 4.4Å; Y413-F453 HydrophobicContact CG-CB 4.38Å; Y413-F453 HydrophobicContact CG-CG 4.4Å; Y413-L460 HydrophobicContact CD2-CD1 4.14Å; Y413-L460 HydrophobicContact CE2-CD1 3.81Å
414	D	97.9	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	100.1	174.1	-179.6	-24.4	0	0	0	109.5	M385 Q386 C416 R417 Q418 L419 W421 H429	M385-D414 WeakPolarHBondContact O-CA 3.26Å; Q386-D414 HydrophobicContact CG-CB 4.46Å; D414-C416 VanDerWaalsContact C-N 3.32Å; D414-C416 PolarHBondContact O-N 3.12Å; D414-C416 PolarHBondContact OD1-N 3.04Å; D414-R417 PolarHBondContact OD1-N 3.34Å; D414-R417 IonicContact OD2-CZ 3.45Å; D414-R417 IonicContact OD2-NE 3.39Å; D414-R417 PolarHBondContact OD2-NE 3.28Å; D414-R417 IonicContact OD2-NH2 2.74Å; D414-R417 PolarHBondContact OD2-NH2 3.13Å; D414-Q418 CarbonylContact O-C 3.6Å; D414-Q418 WeakPolarHBondContact O-CA 3.3Å; D414-Q418 PolarHBondContact O-N 2.61Å; D414-L419 HydrophobicContact CB-CB 4.34Å; D414-L419 PolarHBondContact N-O 3.35Å; D414-L419 PolarHBondContact O-N 3.13Å; D414-W421 PolarHBondContact OD2-NE1 2.97Å; D414-H429 PolarHBondContact O-NE2 3.05Å
415	G	97.3	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	-178	0	0	0	0	0	114.3	Y413 C433 W434	Y413-G415 VanDerWaalsContact CE1-CA 3.49Å; G415-C433 VanDerWaalsContact O-CA 3.26Å; G415-C433 WeakPolarHBondContact O-CA 3.35Å; G415-W434 VanDerWaalsContact CA-CD2 3.45Å; G415-W434 PolarHBondContact O-N 3.42Å
416	C	95.5	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-47.1	178.5	-173.2	0	0	0	0	110.9	R124 S382 G383 V384 D414 W434	R124-C416 WeakPolarHBondContact CD-O 3.36Å; S382-C416 PolarHBondContact O-SG 3.44Å; G383-C416 VanDerWaalsContact O-CB 3.26Å; G383-C416 WeakPolarHBondContact O-CB 3.47Å; V384-C416 HydrophobicContact CG2-CB 4.33Å; D414-C416 VanDerWaalsContact C-N 3.32Å; D414-C416 PolarHBondContact O-N 3.12Å; D414-C416 PolarHBondContact OD1-N 3.04Å; C416-W434 HydrophobicContact CB-CZ2 4.22Å
417	R	95.1	Very high	96.1	Very high	42 Å²	42	36.5 Å²	36.5	16%	0.158	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.6	178	-62.8	-178.1	-72.4	-177.7	-0.1	112.4	R124 V384 D414 L419 W421	R124-R417 HydrophobicContact CG-CG 3.94Å; R124-R417 WeakPolarHBondContact O-CD 3.42Å; R124-R417 WeakPolarHBondContact O-CG 3.25Å; V384-R417 HydrophobicContact CG2-CG 4.27Å; D414-R417 PolarHBondContact OD1-N 3.34Å; D414-R417 IonicContact OD2-CZ 3.45Å; D414-R417 IonicContact OD2-NE 3.39Å; D414-R417 PolarHBondContact OD2-NE 3.28Å; D414-R417 IonicContact OD2-NH2 2.74Å; D414-R417 PolarHBondContact OD2-NH2 3.13Å; R417-L419 HydrophobicContact CB-CD1 3.67Å; R417-L419 HydrophobicContact CB-CG 3.92Å; R417-W421 VanDerWaalsContact CZ-CZ2 3.42Å; R417-W421 VanDerWaalsContact NH2-CZ2 3.28Å
418	Q	97	Very high	96.3	Very high	69 Å²	69	40.7 Å²	40.7	32%	0.322	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	46.1	-178	-56.7	170.6	-97.3	0	0	112.4	D414 P428 H429 H431	D414-Q418 CarbonylContact O-C 3.6Å; D414-Q418 WeakPolarHBondContact O-CA 3.3Å; D414-Q418 PolarHBondContact O-N 2.61Å; Q418-P428 CarbonylContact O-C 3.59Å; Q418-P428 WeakPolarHBondContact O-CA 3.42Å; Q418-H429 VanDerWaalsContact C-NE2 3.28Å; Q418-H429 WeakPolarHBondContact CA-CE1 3.43Å; Q418-H429 WeakPolarHBondContact CA-NE2 3.43Å; Q418-H429 PolarHBondContact O-N 3.19Å; Q418-H431 PolarHBondContact NE2-O 3.5Å
419	L	97.1	Very high	96.4	Very high	19 Å²	19	38.2 Å²	38.2	10%	0.099	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.8	-173	-63.2	173.5	0	0	0	111.9	V127 D414 R417 W421 K427 P428 H429	V127-L419 HydrophobicContact CB-CD1 4.47Å; V127-L419 HydrophobicContact CG1-CD1 3.81Å; V127-L419 HydrophobicContact CG2-CD1 3.71Å; D414-L419 HydrophobicContact CB-CB 4.34Å; D414-L419 PolarHBondContact N-O 3.35Å; D414-L419 PolarHBondContact O-N 3.13Å; R417-L419 HydrophobicContact CB-CD1 3.67Å; R417-L419 HydrophobicContact CB-CG 3.92Å; L419-W421 HydrophobicContact CD1-CZ2 3.74Å; L419-K427 CarbonylContact C-O 3.52Å; L419-K427 WeakPolarHBondContact CA-O 3.39Å; L419-P428 HydrophobicContact CD2-CB 4.41Å; L419-H429 PolarHBondContact N-CD2 3.44Å; L419-H429 PolarHBondContact N-NE2 3.43Å; L419-H429 PolarHBondContact O-CD2 3.28Å
420	I	98.2	Very high	96.4	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.4	161.9	-59.4	-57.4	0	0	0	108.1	A412 Y413 S426 K427 H429 F453 L460 E463	A412-I420 CarbonylContact O-C 3.51Å; A412-I420 WeakPolarHBondContact O-CA 3.45Å; Y413-I420 HydrophobicContact CD2-CD1 3.71Å; Y413-I420 HydrophobicContact CG-CD1 4.43Å; I420-S426 CarbonylContact O-C 3.58Å; I420-S426 VanDerWaalsContact O-CA 3.25Å; I420-S426 WeakPolarHBondContact O-CA 3.46Å; I420-K427 HydrophobicContact CB-CG 4.06Å; I420-K427 PolarHBondContact N-O 2.95Å; I420-K427 PolarHBondContact O-N 2.98Å; I420-H429 HydrophobicContact CG1-CB 4.24Å; I420-F453 HydrophobicContact CD1-CD2 3.6Å; I420-F453 HydrophobicContact CD1-CE2 3.81Å; I420-F453 HydrophobicContact CD1-CG 4.46Å; I420-F453 HydrophobicContact CG2-CE2 4.33Å; I420-L460 HydrophobicContact CD1-CD1 4.2Å; I420-E463 HydrophobicContact CG2-CG 3.95Å
421	W	97.1	Very high	96.5	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133	-177.4	-67.7	90.2	0	0	0	111.5	V127 Q386 C411 A412 D414 R417 L419 R425	V127-W421 HydrophobicContact CB-CH2 4.19Å; V127-W421 HydrophobicContact CB-CZ2 4.44Å; V127-W421 HydrophobicContact CG1-CH2 3.16Å; V127-W421 HydrophobicContact CG1-CZ2 3.49Å; V127-W421 VanDerWaalsContact CG1-CZ2 3.49Å; V127-W421 HydrophobicContact CG1-CZ3 4.1Å; V127-W421 WeakPolarHBondContact O-CH2 3.45Å; Q386-W421 HydrophobicContact CG-CG 4.31Å; Q386-W421 VanDerWaalsContact NE2-CE2 3.34Å; C411-W421 WeakPolarHBondContact CA-O 3.26Å; C411-W421 PolarHBondContact SG-O 3.44Å; C411-W421 VanDerWaalsContact SG-O 3.41Å; A412-W421 HydrophobicContact CB-CB 4.29Å; A412-W421 PolarHBondContact N-O 3.01Å; A412-W421 PolarHBondContact O-N 2.94Å; D414-W421 PolarHBondContact OD2-NE1 2.97Å; R417-W421 VanDerWaalsContact CZ-CZ2 3.42Å; R417-W421 VanDerWaalsContact NH2-CZ2 3.28Å; L419-W421 HydrophobicContact CD1-CZ2 3.74Å; W421-R425 WeakPolarHBondContact CA-O 3.38Å
422	Y	96	Very high	96.4	Very high	39 Å²	39	44.5 Å²	44.5	15%	0.153	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	132.9	172.5	167.9	-109.6	0	0	0	110.1	G405 S410 A424 R425 Q465 V466 S468	G405-Y422 CarbonylContact O-C 3.59Å; G405-Y422 WeakPolarHBondContact O-CA 3.47Å; G405-Y422 PolarHBondContact O-N 3.18Å; G405-Y422 VanDerWaalsContact O-N 3.17Å; S410-Y422 WeakPolarHBondContact O-CD2 3.41Å; Y422-A424 VanDerWaalsContact C-N 3.31Å; Y422-A424 PolarHBondContact O-N 2.88Å; Y422-R425 PolarHBondContact N-O 2.61Å; Y422-R425 PolarHBondContact O-N 3.38Å; Y422-R425 VanDerWaalsContact O-O 3.11Å; Y422-Q465 HydrophobicContact CD1-CB 3.64Å; Y422-Q465 HydrophobicContact CD1-CG 4.39Å; Y422-Q465 HydrophobicContact CE1-CB 3.47Å; Y422-Q465 VanDerWaalsContact CE1-CB 3.47Å; Y422-Q465 HydrophobicContact CE1-CG 4.49Å; Y422-Q465 HydrophobicContact CG-CB 4.31Å; Y422-Q465 PolarHBondContact OH-O 3.48Å; Y422-V466 HydrophobicContact CD2-CB 4.09Å; Y422-V466 HydrophobicContact CD2-CG2 4.45Å; Y422-V466 VanDerWaalsContact CE2-CA 3.48Å; Y422-V466 HydrophobicContact CE2-CB 3.91Å; Y422-V466 HydrophobicContact CE2-CG2 4.19Å; Y422-S468 PolarHBondContact OH-OG 3.43Å
423	N	94.4	Very high	96.3	Very high	67 Å²	67	46.3 Å²	46.3	36%	0.358	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	47	176.8	-167	25	0	0	0	113.2	G405 D407 R425	G405-N423 PolarHBondContact O-N 3.43Å; D407-N423 VanDerWaalsContact O-CA 3.31Å; D407-N423 WeakPolarHBondContact O-CA 3.32Å; D407-N423 PolarHBondContact O-N 2.97Å; N423-R425 PolarHBondContact O-N 3.23Å; N423-R425 VanDerWaalsContact O-N 3.08Å
424	A	91.4	Very high	96.3	Very high	42 Å²	42	46.3 Å²	46.3	35%	0.347	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	27.2	-177.9	0	0	0	0	0	113.4	G405 D406 Y422	G405-A424 PolarHBondContact O-N 3.36Å; G405-A424 VanDerWaalsContact O-N 3.16Å; D406-A424 HydrophobicContact CB-CB 4.43Å; Y422-A424 VanDerWaalsContact C-N 3.31Å; Y422-A424 PolarHBondContact O-N 2.88Å
425	R	92.4	Very high	96.2	Very high	187 Å²	187	53 Å²	53	71%	0.706	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.1	173.9	-63.8	179.8	-170.1	-175.8	2.4	109.1	W421 Y422 N423	W421-R425 WeakPolarHBondContact CA-O 3.38Å; Y422-R425 PolarHBondContact N-O 2.61Å; Y422-R425 PolarHBondContact O-N 3.38Å; Y422-R425 VanDerWaalsContact O-O 3.11Å; N423-R425 PolarHBondContact O-N 3.23Å; N423-R425 VanDerWaalsContact O-N 3.08Å
426	S	93.9	Very high	96.2	Very high	44 Å²	44	57.4 Å²	57.4	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.7	178	66.6	0	0	0	0	112.2	V127 I420	V127-S426 WeakPolarHBondContact CG1-OG 3.4Å; I420-S426 CarbonylContact O-C 3.58Å; I420-S426 VanDerWaalsContact O-CA 3.25Å; I420-S426 WeakPolarHBondContact O-CA 3.46Å
427	K	95.2	Very high	96.3	Very high	82 Å²	82	57.9 Å²	57.9	36%	0.357	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.2	166.2	68.4	179.2	-167.9	174.7	0	110.2	L419 I420 E463	L419-K427 CarbonylContact C-O 3.52Å; L419-K427 WeakPolarHBondContact CA-O 3.39Å; I420-K427 HydrophobicContact CB-CG 4.06Å; I420-K427 PolarHBondContact N-O 2.95Å; I420-K427 PolarHBondContact O-N 2.98Å; K427-E463 VanDerWaalsContact CE-CD 3.48Å; K427-E463 WeakPolarHBondContact CE-OE1 3.2Å; K427-E463 WeakPolarHBondContact CE-OE2 3.28Å; K427-E463 IonicContact NZ-OE1 2.71Å; K427-E463 PolarHBondContact NZ-OE1 3.32Å; K427-E463 IonicContact NZ-OE2 3.28Å; K427-E463 PolarHBondContact NZ-OE2 3.47Å
428	P	97.2	Very high	96.5	Very high	110 Å²	110	57.3 Å²	57.3	71%	0.714	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	151	179.4	28.6	-35.1	0	0	0	111.6	Q418 L419	Q418-P428 CarbonylContact O-C 3.59Å; Q418-P428 WeakPolarHBondContact O-CA 3.42Å; L419-P428 HydrophobicContact CD2-CB 4.41Å
429	H	97.9	Very high	96.5	Very high	25 Å²	25	54.1 Å²	54.1	12%	0.116	29%	0.29	C	S	.	.			trans	-125	165.7	172.4	67.6	53.6	0	0	0	112.5	Y413 D414 Q418 L419 I420 H431 L460	Y413-H429 AromaticContact CD2-NE2 3.81Å; Y413-H429 AromaticContact CE2-CD2 3.72Å; Y413-H429 AromaticContact CE2-CE1 3.73Å; Y413-H429 AromaticContact CE2-NE2 3.22Å; Y413-H429 WeakPolarHBondContact CE2-NE2 3.18Å; Y413-H429 AromaticContact CZ-CE1 3.86Å; Y413-H429 AromaticContact CZ-NE2 3.56Å; D414-H429 PolarHBondContact O-NE2 3.05Å; Q418-H429 VanDerWaalsContact C-NE2 3.28Å; Q418-H429 WeakPolarHBondContact CA-CE1 3.43Å; Q418-H429 WeakPolarHBondContact CA-NE2 3.43Å; Q418-H429 PolarHBondContact O-N 3.19Å; L419-H429 PolarHBondContact N-CD2 3.44Å; L419-H429 PolarHBondContact N-NE2 3.43Å; L419-H429 PolarHBondContact O-CD2 3.28Å; I420-H429 HydrophobicContact CG1-CB 4.24Å; H429-H431 PolarHBondContact ND1-N 3.4Å; H429-L460 HydrophobicContact CB-CD1 3.65Å; H429-L460 HydrophobicContact CB-CD2 4.13Å
430	S	98.1	Very high	96.6	Very high	102 Å²	102	53.2 Å²	53.2	71%	0.713	29%	0.286	S	S	*	.	S	Bend	trans	-87.7	-9.9	-171.6	58	0	0	0	0	115.8	L460	S430-L460 WeakPolarHBondContact OG-CD2 3.29Å
431	H	98.5	Very high	96.7	Very high	12 Å²	12	53 Å²	53	6%	0.056	29%	0.285	C	S	.	.	S	Bend	trans	-63	143.3	174.4	-73.5	174.4	0	0	0	111.1	Y413 Q418 H429 L455 H458 L460	Y413-H431 AromaticContact CE2-ND1 3.7Å; Y413-H431 AromaticContact CZ-ND1 3.89Å; Y413-H431 WeakPolarHBondContact OH-CB 3.45Å; Y413-H431 PolarHBondContact OH-ND1 3.02Å; Q418-H431 PolarHBondContact NE2-O 3.5Å; H429-H431 PolarHBondContact ND1-N 3.4Å; H431-L455 HydrophobicContact CB-CB 4.4Å; H431-L455 HydrophobicContact CB-CD2 3.89Å; H431-L455 VanDerWaalsContact CE1-CB 3.5Å; H431-L455 WeakPolarHBondContact CE1-CB 3.4Å; H431-L455 PolarHBondContact CE1-N 3.33Å; H431-L455 VanDerWaalsContact ND1-CB 3.26Å; H431-L455 WeakPolarHBondContact ND1-CB 3.37Å; H431-H458 PolarHBondContact CE1-O 3.44Å; H431-H458 PolarHBondContact NE2-O 2.91Å; H431-L460 VanDerWaalsContact CD2-CD2 3.49Å; H431-L460 WeakPolarHBondContact CD2-CD2 3.46Å; H431-L460 VanDerWaalsContact CE1-CG 3.47Å; H431-L460 WeakPolarHBondContact CE1-CG 3.32Å
432	P	97.6	Very high	96.7	Very high	83 Å²	83	52.7 Å²	52.7	54%	0.539	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-61.4	163.8	170.1	29	-36.8	0	0	0	111.3	W434 L455	P432-W434 PolarHBondContact O-N 3.23Å; P432-L455 HydrophobicContact CG-CD2 3.76Å
433	C	96.5	Very high	96.9	Very high	37 Å²	37	50.9 Å²	50.9	25%	0.25	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-56	131.5	170.4	-176	0	0	0	0	109.7	G415	G415-C433 VanDerWaalsContact O-CA 3.26Å; G415-C433 WeakPolarHBondContact O-CA 3.35Å
434	W	97.2	Very high	97.1	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64.9	159.4	178.1	60.3	21.1	0	0	0	111.7	V379 S382 G383 M385 I387 Y413 G415 C416 P432 D438 I440	V379-W434 HydrophobicContact CG1-CD2 4.46Å; V379-W434 HydrophobicContact CG1-CG 4.33Å; V379-W434 HydrophobicContact CG2-CB 4.3Å; V379-W434 HydrophobicContact CG2-CD2 4.02Å; V379-W434 HydrophobicContact CG2-CE3 3.82Å; V379-W434 HydrophobicContact CG2-CG 4.25Å; S382-W434 PolarHBondContact O-NE1 2.98Å; G383-W434 VanDerWaalsContact O-CZ2 3.3Å; G383-W434 WeakPolarHBondContact O-CZ2 3.39Å; G383-W434 PolarHBondContact O-NE1 3.01Å; M385-W434 HydrophobicContact CB-CH2 3.77Å; M385-W434 HydrophobicContact CB-CZ2 3.9Å; M385-W434 HydrophobicContact CE-CH2 4.05Å; M385-W434 HydrophobicContact CE-CZ2 3.65Å; M385-W434 WeakPolarHBondContact O-CH2 3.47Å; I387-W434 HydrophobicContact CD1-CH2 4.3Å; I387-W434 HydrophobicContact CD1-CZ3 4.25Å; Y413-W434 HydrophobicContact CD1-CE3 4.36Å; Y413-W434 AromaticContact CD1-CZ3 3.94Å; Y413-W434 HydrophobicContact CD1-CZ3 3.94Å; Y413-W434 AromaticContact CE1-CE3 3.87Å; Y413-W434 HydrophobicContact CE1-CE3 3.87Å; Y413-W434 AromaticContact CE1-CZ3 3.92Å; Y413-W434 HydrophobicContact CE1-CZ3 3.92Å; G415-W434 VanDerWaalsContact CA-CD2 3.45Å; G415-W434 PolarHBondContact O-N 3.42Å; C416-W434 HydrophobicContact CB-CZ2 4.22Å; P432-W434 PolarHBondContact O-N 3.23Å; W434-D438 WeakPolarHBondContact CA-OD2 3.33Å; W434-I440 HydrophobicContact CE3-CD1 4.05Å; W434-I440 HydrophobicContact CE3-CG1 4.04Å; W434-I440 HydrophobicContact CZ3-CG1 4.42Å
435	K	96.8	Very high	97.4	Very high	139 Å²	139	46.3 Å²	46.3	60%	0.604	25%	0.246	S	C	*	.			trans	-133.4	163.8	177	-61.9	-174.8	-178	-177.4	0	111.1	S382 G437 D438	S382-K435 VanDerWaalsContact OG-CA 3.29Å; S382-K435 WeakPolarHBondContact OG-CA 3.37Å; K435-G437 PolarHBondContact O-N 2.99Å; K435-D438 PolarHBondContact N-OD2 3.46Å; K435-D438 VanDerWaalsContact O-CB 3.31Å; K435-D438 WeakPolarHBondContact O-CB 3.32Å; K435-D438 PolarHBondContact O-N 3.24Å
436	E	96.8	Very high	97.7	Very high	93 Å²	93	38.2 Å²	38.2	44%	0.435	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.1	173.3	-58.9	77.5	-161.6	0	0	110.2	Y296 V380 S382	Y296-E436 HydrophobicContact CD2-CB 3.66Å; Y296-E436 HydrophobicContact CE2-CB 4.26Å; Y296-E436 HydrophobicContact CG-CB 4.06Å; V380-E436 VanDerWaalsContact O-CG 3.25Å; V380-E436 WeakPolarHBondContact O-CG 3.43Å; S382-E436 WeakPolarHBondContact CB-OE1 3.37Å; S382-E436 PolarHBondContact N-OE1 3.44Å; S382-E436 PolarHBondContact OG-N 3.42Å; S382-E436 PolarHBondContact OG-OE1 3.46Å; S382-E436 PolarHBondContact OG-OE2 3.39Å; S382-E436 VanDerWaalsContact OG-OE2 3.12Å
437	G	97.6	Very high	97.8	Very high	11 Å²	11	41.9 Å²	41.9	11%	0.113	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-4.2	-178.7	0	0	0	0	0	116.5	Y296 V379 K435 R496	Y296-G437 WeakPolarHBondContact OH-CA 3.39Å; V379-G437 PolarHBondContact O-N 3.24Å; K435-G437 PolarHBondContact O-N 2.99Å; G437-R496 PolarHBondContact O-NH1 2.96Å
438	D	98.6	Very high	97.9	Very high	29 Å²	29	44.2 Å²	44.2	16%	0.155	24%	0.243	C	C	.	.			trans	-62.1	145.3	168.3	-79.7	-22.9	0	0	0	111.1	T378 V379 W434 K435 L455 N456	T378-D438 WeakPolarHBondContact CA-O 3.39Å; V379-D438 HydrophobicContact CG2-CB 4.39Å; V379-D438 PolarHBondContact N-O 2.99Å; W434-D438 WeakPolarHBondContact CA-OD2 3.33Å; K435-D438 PolarHBondContact N-OD2 3.46Å; K435-D438 VanDerWaalsContact O-CB 3.31Å; K435-D438 WeakPolarHBondContact O-CB 3.32Å; K435-D438 PolarHBondContact O-N 3.24Å; D438-L455 HydrophobicContact CB-CD1 3.76Å; D438-N456 PolarHBondContact OD1-ND2 2.97Å
439	A	98.6	Very high	98	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.9	176.1	0	0	0	0	0	110.4	V377 N456 R496	V377-A439 CarbonylContact O-C 3.22Å; V377-A439 WeakPolarHBondContact O-CA 3.5Å; A439-N456 PolarHBondContact N-OD1 3.49Å; A439-N456 PolarHBondContact O-N 3.45Å; A439-R496 HydrophobicContact CB-CB 4.48Å
440	I	98.9	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.8	176.9	-43.2	-56.8	0	0	0	108.9	E376 V377 V379 Y413 W434 F442 Y454 L455	E376-I440 CarbonylContact C-O 3.56Å; E376-I440 VanDerWaalsContact CA-O 3.26Å; E376-I440 WeakPolarHBondContact CA-O 3.49Å; V377-I440 PolarHBondContact N-O 3.04Å; V377-I440 PolarHBondContact O-N 3.24Å; V379-I440 HydrophobicContact CG2-CD1 4.25Å; V379-I440 HydrophobicContact CG2-CG1 3.91Å; Y413-I440 HydrophobicContact CD1-CG2 3.92Å; Y413-I440 HydrophobicContact CE1-CD1 4.15Å; Y413-I440 HydrophobicContact CE1-CG2 4.01Å; Y413-I440 HydrophobicContact CG-CG2 4.48Å; W434-I440 HydrophobicContact CE3-CD1 4.05Å; W434-I440 HydrophobicContact CE3-CG1 4.04Å; W434-I440 HydrophobicContact CZ3-CG1 4.42Å; I440-F442 HydrophobicContact CB-CE2 3.7Å; I440-F442 HydrophobicContact CB-CZ 3.94Å; I440-F442 HydrophobicContact CG2-CD2 4.35Å; I440-F442 HydrophobicContact CG2-CE1 4.06Å; I440-F442 HydrophobicContact CG2-CE2 3.49Å; I440-F442 VanDerWaalsContact CG2-CE2 3.49Å; I440-F442 HydrophobicContact CG2-CZ 3.3Å; I440-F442 WeakPolarHBondContact O-CE2 3.37Å; I440-Y454 CarbonylContact C-O 3.55Å; I440-Y454 VanDerWaalsContact CA-O 3.25Å; I440-Y454 WeakPolarHBondContact CA-O 3.16Å; I440-Y454 VanDerWaalsContact CG2-O 3.31Å; I440-Y454 WeakPolarHBondContact CG2-O 3.4Å; I440-L455 HydrophobicContact CD1-CB 4.48Å; I440-L455 HydrophobicContact CD1-CD1 3.34Å; I440-L455 HydrophobicContact CD1-CG 4.47Å
441	G	98.8	Very high	98	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.5	177.8	0	0	0	0	0	111.8	Y374 F453 Y454	Y374-G441 VanDerWaalsContact OH-CA 3.24Å; Y374-G441 WeakPolarHBondContact OH-CA 3.39Å; G441-F453 CarbonylContact O-C 3.48Å; G441-F453 WeakPolarHBondContact O-CA 3.33Å; G441-Y454 PolarHBondContact N-O 2.92Å; G441-Y454 PolarHBondContact O-N 3.28Å
442	F	98.8	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	103.8	-177.5	-63.3	-89.1	0	0	0	109.7	Y374 Y375 V377 I387 W389 I440 F453	Y374-F442 VanDerWaalsContact CA-O 3.32Å; Y374-F442 WeakPolarHBondContact CA-O 3.29Å; Y374-F442 WeakPolarHBondContact CD2-O 3.45Å; Y375-F442 HydrophobicContact CD1-CB 3.68Å; Y375-F442 HydrophobicContact CD1-CG 4.45Å; Y375-F442 HydrophobicContact CD2-CB 4.39Å; Y375-F442 AromaticContact CD2-CD2 3.9Å; Y375-F442 HydrophobicContact CD2-CD2 3.9Å; Y375-F442 HydrophobicContact CD2-CG 4.44Å; Y375-F442 HydrophobicContact CE1-CB 3.26Å; Y375-F442 HydrophobicContact CE1-CD2 4.2Å; Y375-F442 AromaticContact CE1-CG 3.78Å; Y375-F442 HydrophobicContact CE1-CG 3.78Å; Y375-F442 HydrophobicContact CE2-CB 4.03Å; Y375-F442 AromaticContact CE2-CD2 3.34Å; Y375-F442 HydrophobicContact CE2-CD2 3.34Å; Y375-F442 AromaticContact CE2-CE2 3.94Å; Y375-F442 HydrophobicContact CE2-CE2 3.94Å; Y375-F442 AromaticContact CE2-CG 3.76Å; Y375-F442 HydrophobicContact CE2-CG 3.76Å; Y375-F442 HydrophobicContact CG-CB 4.22Å; Y375-F442 VanDerWaalsContact CZ-CB 3.43Å; Y375-F442 AromaticContact CZ-CD2 3.5Å; Y375-F442 VanDerWaalsContact CZ-CD2 3.5Å; Y375-F442 AromaticContact CZ-CG 3.36Å; Y375-F442 PolarHBondContact N-O 3.01Å; Y375-F442 PolarHBondContact O-N 2.92Å; Y375-F442 WeakPolarHBondContact OH-CG 3.3Å; V377-F442 HydrophobicContact CB-CE2 4.01Å; V377-F442 HydrophobicContact CG2-CD2 4.26Å; V377-F442 HydrophobicContact CG2-CE2 3.74Å; I387-F442 HydrophobicContact CB-CE1 4.16Å; I387-F442 HydrophobicContact CB-CZ 3.68Å; I387-F442 HydrophobicContact CG2-CE1 3.93Å; I387-F442 HydrophobicContact CG2-CE2 3.76Å; I387-F442 HydrophobicContact CG2-CZ 3.34Å; I387-F442 WeakPolarHBondContact O-CE1 3.47Å; W389-F442 HydrophobicContact CZ2-CB 4.29Å; I440-F442 HydrophobicContact CB-CE2 3.7Å; I440-F442 HydrophobicContact CB-CZ 3.94Å; I440-F442 HydrophobicContact CG2-CD2 4.35Å; I440-F442 HydrophobicContact CG2-CE1 4.06Å; I440-F442 HydrophobicContact CG2-CE2 3.49Å; I440-F442 VanDerWaalsContact CG2-CE2 3.49Å; I440-F442 HydrophobicContact CG2-CZ 3.3Å; I440-F442 WeakPolarHBondContact O-CE2 3.37Å; F442-F453 AromaticContact CD1-CD1 3.48Å; F442-F453 HydrophobicContact CD1-CD1 3.48Å; F442-F453 VanDerWaalsContact CD1-CD1 3.48Å; F442-F453 AromaticContact CD1-CE1 3.69Å; F442-F453 HydrophobicContact CD1-CE1 3.69Å; F442-F453 AromaticContact CE1-CD1 3.71Å; F442-F453 HydrophobicContact CE1-CD1 3.71Å; F442-F453 AromaticContact CE1-CE1 3.98Å; F442-F453 HydrophobicContact CE1-CE1 3.98Å
443	L	98.8	Very high	98	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.2	175.4	-173.8	83.9	0	0	0	110	V372 W373 Y374 M451 I452 Y454 P499 V501 F503	V372-L443 HydrophobicContact CG1-CD1 3.73Å; V372-L443 HydrophobicContact CG1-CG 4.29Å; W373-L443 CarbonylContact O-C 3.58Å; W373-L443 WeakPolarHBondContact O-CA 3.32Å; Y374-L443 HydrophobicContact CD2-CB 4.1Å; Y374-L443 HydrophobicContact CD2-CD1 4.19Å; L443-M451 CarbonylContact O-C 3.51Å; L443-M451 WeakPolarHBondContact O-CA 3.31Å; L443-I452 HydrophobicContact CB-CB 4.21Å; L443-I452 HydrophobicContact CD2-CB 4.31Å; L443-I452 HydrophobicContact CD2-CD1 3.99Å; L443-I452 HydrophobicContact CD2-CG1 4.33Å; L443-I452 PolarHBondContact N-O 3.39Å; L443-I452 PolarHBondContact O-N 2.92Å; L443-Y454 HydrophobicContact CB-CE2 3.76Å; L443-P499 HydrophobicContact CD1-CG 4.1Å; L443-V501 HydrophobicContact CD1-CG2 3.83Å; L443-V501 HydrophobicContact CD2-CG2 3.91Å; L443-F503 HydrophobicContact CD1-CB 4.31Å
444	L	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.9	169.1	175.3	66.3	0	0	0	109.2	V368 V372 W373 W389 L446 M451 F467 F474	V368-L444 HydrophobicContact CG2-CD2 3.58Å; V372-L444 CarbonylContact C-O 3.59Å; V372-L444 VanDerWaalsContact CA-O 3.29Å; V372-L444 WeakPolarHBondContact CA-O 3.48Å; W373-L444 PolarHBondContact N-O 3.48Å; W373-L444 PolarHBondContact O-N 3.17Å; W389-L444 HydrophobicContact CD2-CB 4.05Å; W389-L444 HydrophobicContact CD2-CD2 4.02Å; W389-L444 HydrophobicContact CE3-CB 4.35Å; W389-L444 HydrophobicContact CE3-CD2 3.69Å; W389-L444 HydrophobicContact CH2-CB 3.69Å; W389-L444 HydrophobicContact CH2-CD2 4.07Å; W389-L444 HydrophobicContact CZ2-CB 3.37Å; W389-L444 HydrophobicContact CZ2-CD2 4.41Å; W389-L444 HydrophobicContact CZ3-CB 4.15Å; W389-L444 HydrophobicContact CZ3-CD2 3.68Å; L444-L446 HydrophobicContact CD1-CD2 3.88Å; L444-L446 HydrophobicContact CD1-CG 4.4Å; L444-L446 HydrophobicContact CD2-CD1 4.3Å; L444-L446 HydrophobicContact CD2-CD2 3.98Å; L444-L446 HydrophobicContact CD2-CG 4.07Å; L444-L446 HydrophobicContact CG-CD2 3.96Å; L444-L446 HydrophobicContact CG-CG 3.97Å; L444-M451 HydrophobicContact CD1-CE 3.75Å; L444-M451 HydrophobicContact CD1-CG 3.62Å; L444-F467 HydrophobicContact CD1-CE1 4.28Å; L444-F467 HydrophobicContact CD1-CZ 3.66Å; L444-F474 HydrophobicContact CD2-CB 3.69Å; L444-F474 HydrophobicContact CD2-CD2 4.07Å; L444-F474 HydrophobicContact CD2-CG 4.02Å
445	D	98.4	Very high	98.2	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	96.1	174.5	-176.9	-17.1	0	0	0	108.9	V372 N447 K448 K449 Q450	V372-D445 HydrophobicContact CG1-CB 4.31Å; V372-D445 HydrophobicContact CG2-CB 4.26Å; D445-N447 VanDerWaalsContact C-N 3.26Å; D445-N447 PolarHBondContact O-N 3.43Å; D445-N447 WeakPolarHBondContact OD1-CB 3.3Å; D445-N447 PolarHBondContact OD1-N 2.74Å; D445-N447 VanDerWaalsContact OD1-N 3.08Å; D445-K448 HydrophobicContact CB-CB 4.47Å; D445-K448 PolarHBondContact O-N 3.31Å; D445-K448 PolarHBondContact OD1-N 2.66Å; D445-K448 VanDerWaalsContact OD2-CD 3.26Å; D445-K448 WeakPolarHBondContact OD2-CD 2.87Å; D445-K448 WeakPolarHBondContact OD2-CG 3.4Å; D445-K448 IonicContact OD2-NZ 3.97Å; D445-K449 WeakPolarHBondContact O-CA 3.25Å; D445-K449 PolarHBondContact O-N 2.67Å; D445-Q450 HydrophobicContact CB-CG 3.92Å; D445-Q450 PolarHBondContact N-O 3.08Å; D445-Q450 PolarHBondContact O-N 3.44Å
446	L	98.1	Very high	98.3	Very high	17 Å²	17	30 Å²	30	9%	0.089	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.6	180	-65.9	174.3	0	0	0	112.3	S370 G371 L444 F467 F474	S370-L446 VanDerWaalsContact N-CD1 3.31Å; G371-L446 WeakPolarHBondContact O-CB 3.34Å; G371-L446 PolarHBondContact O-N 2.91Å; L444-L446 HydrophobicContact CD1-CD2 3.88Å; L444-L446 HydrophobicContact CD1-CG 4.4Å; L444-L446 HydrophobicContact CD2-CD1 4.3Å; L444-L446 HydrophobicContact CD2-CD2 3.98Å; L444-L446 HydrophobicContact CD2-CG 4.07Å; L444-L446 HydrophobicContact CG-CD2 3.96Å; L444-L446 HydrophobicContact CG-CG 3.97Å; L446-F467 HydrophobicContact CD2-CE1 3.76Å; L446-F467 HydrophobicContact CD2-CZ 4.4Å; L446-F474 HydrophobicContact CD2-CD2 3.84Å; L446-F474 HydrophobicContact CD2-CE2 4Å
447	N	96.7	Very high	98.4	Very high	120 Å²	120	27.2 Å²	27.2	64%	0.642	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-39.7	176.2	-55.6	-39.7	0	0	0	110.8	D445	D445-N447 VanDerWaalsContact C-N 3.26Å; D445-N447 PolarHBondContact O-N 3.43Å; D445-N447 WeakPolarHBondContact OD1-CB 3.3Å; D445-N447 PolarHBondContact OD1-N 2.74Å; D445-N447 VanDerWaalsContact OD1-N 3.08Å
448	K	97.6	Very high	98.4	Very high	132 Å²	132	33.1 Å²	33.1	57%	0.574	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.8	176.9	-64.4	-176.6	-169.3	162	0	113.9	D445 Q450	D445-K448 HydrophobicContact CB-CB 4.47Å; D445-K448 PolarHBondContact O-N 3.31Å; D445-K448 PolarHBondContact OD1-N 2.66Å; D445-K448 VanDerWaalsContact OD2-CD 3.26Å; D445-K448 WeakPolarHBondContact OD2-CD 2.87Å; D445-K448 WeakPolarHBondContact OD2-CG 3.4Å; D445-K448 IonicContact OD2-NZ 3.97Å; K448-Q450 HydrophobicContact CB-CG 3.96Å
449	K	97.9	Very high	98.4	Very high	107 Å²	107	37.9 Å²	37.9	47%	0.465	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	58.4	-175.2	-62.6	-175.4	178.6	-172	0	111.3	D445 K464 F467	D445-K449 WeakPolarHBondContact O-CA 3.25Å; D445-K449 PolarHBondContact O-N 2.67Å; K449-K464 WeakPolarHBondContact O-CG 3.44Å; K449-F467 HydrophobicContact CB-CB 4.01Å; K449-F467 HydrophobicContact CB-CD1 3.87Å; K449-F467 HydrophobicContact CB-CD2 4.02Å; K449-F467 HydrophobicContact CB-CE1 4.34Å; K449-F467 HydrophobicContact CB-CE2 4.48Å; K449-F467 HydrophobicContact CB-CG 3.68Å; K449-F467 HydrophobicContact CD-CB 4.38Å; K449-F467 HydrophobicContact CG-CD1 4.17Å; K449-F467 HydrophobicContact CG-CG 4.37Å; K449-F467 WeakPolarHBondContact O-CD2 3.27Å; K449-F467 WeakPolarHBondContact O-CE2 3.42Å
450	Q	97.8	Very high	98.4	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.103	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147.9	179.1	68.3	-176.7	8.9	0	0	112.8	D445 K448 P462 E463 K464 F467	D445-Q450 HydrophobicContact CB-CG 3.92Å; D445-Q450 PolarHBondContact N-O 3.08Å; D445-Q450 PolarHBondContact O-N 3.44Å; K448-Q450 HydrophobicContact CB-CG 3.96Å; Q450-P462 HydrophobicContact CB-CB 3.93Å; Q450-P462 HydrophobicContact CG-CB 4.35Å; Q450-E463 CarbonylContact C-O 3.57Å; Q450-E463 VanDerWaalsContact CA-O 3.3Å; Q450-E463 WeakPolarHBondContact CA-O 3.27Å; Q450-K464 HydrophobicContact CB-CG 4.02Å; Q450-F467 VanDerWaalsContact CA-CE2 3.5Å; Q450-F467 VanDerWaalsContact N-CE2 3.29Å
451	M	98.3	Very high	98.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.2	169.8	-66.2	172.3	-176.2	0	0	109	W389 C411 L443 L444 F453 P462 E463 V466 F467 F474	W389-M451 HydrophobicContact CB-CE 3.51Å; W389-M451 HydrophobicContact CB-SD 3.92Å; W389-M451 HydrophobicContact CG-CE 3.95Å; W389-M451 HydrophobicContact CG-SD 4.04Å; C411-M451 HydrophobicContact CB-SD 3.86Å; L443-M451 CarbonylContact O-C 3.51Å; L443-M451 WeakPolarHBondContact O-CA 3.31Å; L444-M451 HydrophobicContact CD1-CE 3.75Å; L444-M451 HydrophobicContact CD1-CG 3.62Å; M451-F453 HydrophobicContact CB-CZ 4.43Å; M451-P462 CarbonylContact O-C 3.53Å; M451-P462 VanDerWaalsContact O-CA 3.3Å; M451-P462 WeakPolarHBondContact O-CA 3.32Å; M451-E463 HydrophobicContact CB-CB 4.45Å; M451-E463 PolarHBondContact N-O 3.41Å; M451-E463 PolarHBondContact O-N 3.32Å; M451-V466 HydrophobicContact CE-CG1 3.49Å; M451-V466 VanDerWaalsContact CE-CG1 3.49Å; M451-V466 HydrophobicContact SD-CG1 3.84Å; M451-F467 HydrophobicContact CE-CE2 4.41Å; M451-F467 HydrophobicContact CE-CZ 4.1Å; M451-F467 HydrophobicContact CG-CE2 4.15Å; M451-F467 HydrophobicContact CG-CZ 4.2Å; M451-F474 HydrophobicContact CE-CD1 3.74Å; M451-F474 HydrophobicContact CE-CE1 3.37Å; M451-F474 HydrophobicContact CE-CE2 4.39Å; M451-F474 HydrophobicContact CE-CG 4.4Å; M451-F474 HydrophobicContact CE-CZ 3.73Å
452	I	98.7	Very high	98.3	Very high	12 Å²	12	45 Å²	45	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.4	177.3	-52.2	-178.4	0	0	0	108.5	L443 Y454 Q459 P462	L443-I452 HydrophobicContact CB-CB 4.21Å; L443-I452 HydrophobicContact CD2-CB 4.31Å; L443-I452 HydrophobicContact CD2-CD1 3.99Å; L443-I452 HydrophobicContact CD2-CG1 4.33Å; L443-I452 PolarHBondContact N-O 3.39Å; L443-I452 PolarHBondContact O-N 2.92Å; I452-Y454 HydrophobicContact CB-CE2 3.9Å; I452-Y454 HydrophobicContact CG2-CD2 4.26Å; I452-Y454 HydrophobicContact CG2-CE2 3.55Å; I452-Q459 HydrophobicContact CG2-CB 4.05Å; I452-P462 HydrophobicContact CD1-CB 4.38Å; I452-P462 HydrophobicContact CD1-CG 4.06Å; I452-P462 HydrophobicContact CG1-CB 3.95Å; I452-P462 HydrophobicContact CG1-CG 4.11Å
453	F	98.8	Very high	98.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.9	178	-52.9	-68.4	0	0	0	110.5	Y413 I420 G441 F442 M451 L460 E463	Y413-F453 HydrophobicContact CD2-CB 3.77Å; Y413-F453 HydrophobicContact CD2-CD2 4.42Å; Y413-F453 HydrophobicContact CD2-CG 4.05Å; Y413-F453 HydrophobicContact CE2-CB 4.4Å; Y413-F453 HydrophobicContact CG-CB 4.38Å; Y413-F453 HydrophobicContact CG-CG 4.4Å; I420-F453 HydrophobicContact CD1-CD2 3.6Å; I420-F453 HydrophobicContact CD1-CE2 3.81Å; I420-F453 HydrophobicContact CD1-CG 4.46Å; I420-F453 HydrophobicContact CG2-CE2 4.33Å; G441-F453 CarbonylContact O-C 3.48Å; G441-F453 WeakPolarHBondContact O-CA 3.33Å; F442-F453 AromaticContact CD1-CD1 3.48Å; F442-F453 HydrophobicContact CD1-CD1 3.48Å; F442-F453 VanDerWaalsContact CD1-CD1 3.48Å; F442-F453 AromaticContact CD1-CE1 3.69Å; F442-F453 HydrophobicContact CD1-CE1 3.69Å; F442-F453 AromaticContact CE1-CD1 3.71Å; F442-F453 HydrophobicContact CE1-CD1 3.71Å; F442-F453 AromaticContact CE1-CE1 3.98Å; F442-F453 HydrophobicContact CE1-CE1 3.98Å; M451-F453 HydrophobicContact CB-CZ 4.43Å; F453-L460 HydrophobicContact CB-CD1 4.37Å; F453-L460 PolarHBondContact O-N 3.38Å; F453-E463 HydrophobicContact CD2-CG 4.46Å; F453-E463 HydrophobicContact CE2-CG 3.88Å
454	Y	98.8	Very high	98.2	Very high	12 Å²	12	50.9 Å²	50.9	5%	0.047	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.2	-178.8	-58.8	-109.1	0	0	0	110.3	Y374 I440 G441 L443 I452 H458 Q459 P499	Y374-Y454 HydrophobicContact CE2-CD2 4.23Å; Y374-Y454 HydrophobicContact CE2-CE2 4.46Å; I440-Y454 CarbonylContact C-O 3.55Å; I440-Y454 VanDerWaalsContact CA-O 3.25Å; I440-Y454 WeakPolarHBondContact CA-O 3.16Å; I440-Y454 VanDerWaalsContact CG2-O 3.31Å; I440-Y454 WeakPolarHBondContact CG2-O 3.4Å; G441-Y454 PolarHBondContact N-O 2.92Å; G441-Y454 PolarHBondContact O-N 3.28Å; L443-Y454 HydrophobicContact CB-CE2 3.76Å; I452-Y454 HydrophobicContact CB-CE2 3.9Å; I452-Y454 HydrophobicContact CG2-CD2 4.26Å; I452-Y454 HydrophobicContact CG2-CE2 3.55Å; Y454-H458 CarbonylContact C-O 3.47Å; Y454-H458 WeakPolarHBondContact CA-O 3.43Å; Y454-Q459 HydrophobicContact CD1-CB 3.61Å; Y454-Q459 HydrophobicContact CE1-CB 3.42Å; Y454-Q459 VanDerWaalsContact CE1-CB 3.42Å; Y454-Q459 HydrophobicContact CG-CB 4.35Å; Y454-P499 HydrophobicContact CE1-CB 4.09Å
455	L	98.8	Very high	98	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.1	166.5	172.3	63	0	0	0	107.9	H431 P432 D438 I440 G457 H458	H431-L455 HydrophobicContact CB-CB 4.4Å; H431-L455 HydrophobicContact CB-CD2 3.89Å; H431-L455 VanDerWaalsContact CE1-CB 3.5Å; H431-L455 WeakPolarHBondContact CE1-CB 3.4Å; H431-L455 PolarHBondContact CE1-N 3.33Å; H431-L455 VanDerWaalsContact ND1-CB 3.26Å; H431-L455 WeakPolarHBondContact ND1-CB 3.37Å; P432-L455 HydrophobicContact CG-CD2 3.76Å; D438-L455 HydrophobicContact CB-CD1 3.76Å; I440-L455 HydrophobicContact CD1-CB 4.48Å; I440-L455 HydrophobicContact CD1-CD1 3.34Å; I440-L455 HydrophobicContact CD1-CG 4.47Å; L455-G457 PolarHBondContact O-N 3.44Å; L455-G457 VanDerWaalsContact O-N 3.15Å; L455-H458 PolarHBondContact N-O 2.88Å; L455-H458 WeakPolarHBondContact O-CB 3.33Å; L455-H458 PolarHBondContact O-CD2 3.08Å; L455-H458 PolarHBondContact O-N 3.41Å
456	N	98.6	Very high	97.9	Very high	50 Å²	50	54.2 Å²	54.2	27%	0.267	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	38	-177.2	-59.3	-36.1	0	0	0	112.6	D438 A439 H458 H497	D438-N456 PolarHBondContact OD1-ND2 2.97Å; A439-N456 PolarHBondContact N-OD1 3.49Å; A439-N456 PolarHBondContact O-N 3.45Å; N456-H458 VanDerWaalsContact C-N 3.34Å; N456-H458 PolarHBondContact O-N 3.36Å; N456-H497 VanDerWaalsContact C-CG 3.5Å; N456-H497 PolarHBondContact O-ND1 3.36Å
457	G	98.2	Very high	97.8	Very high	36 Å²	36	54.2 Å²	54.2	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-6.4	-178.8	0	0	0	0	0	115.9	L455	L455-G457 PolarHBondContact O-N 3.44Å; L455-G457 VanDerWaalsContact O-N 3.15Å
458	H	98.4	Very high	97.8	Very high	135 Å²	135	53 Å²	53	63%	0.625	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	125	172	-62.3	-77.2	0	0	0	110	H431 Y454 L455 N456	H431-H458 PolarHBondContact CE1-O 3.44Å; H431-H458 PolarHBondContact NE2-O 2.91Å; Y454-H458 CarbonylContact C-O 3.47Å; Y454-H458 WeakPolarHBondContact CA-O 3.43Å; L455-H458 PolarHBondContact N-O 2.88Å; L455-H458 WeakPolarHBondContact O-CB 3.33Å; L455-H458 PolarHBondContact O-CD2 3.08Å; L455-H458 PolarHBondContact O-N 3.41Å; N456-H458 VanDerWaalsContact C-N 3.34Å; N456-H458 PolarHBondContact O-N 3.36Å
459	Q	98.1	Very high	97.6	Very high	128 Å²	128	49 Å²	49	60%	0.598	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	145.1	-176	75.5	-177.7	-3.9	0	0	113	I452 Y454	I452-Q459 HydrophobicContact CG2-CB 4.05Å; Y454-Q459 HydrophobicContact CD1-CB 3.61Å; Y454-Q459 HydrophobicContact CE1-CB 3.42Å; Y454-Q459 VanDerWaalsContact CE1-CB 3.42Å; Y454-Q459 HydrophobicContact CG-CB 4.35Å
460	L	98.6	Very high	97.4	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-86.6	166.8	163.7	-72	178.7	0	0	0	112.1	Y413 I420 H429 S430 H431 F453	Y413-L460 HydrophobicContact CD2-CD1 4.14Å; Y413-L460 HydrophobicContact CE2-CD1 3.81Å; I420-L460 HydrophobicContact CD1-CD1 4.2Å; H429-L460 HydrophobicContact CB-CD1 3.65Å; H429-L460 HydrophobicContact CB-CD2 4.13Å; S430-L460 WeakPolarHBondContact OG-CD2 3.29Å; H431-L460 VanDerWaalsContact CD2-CD2 3.49Å; H431-L460 WeakPolarHBondContact CD2-CD2 3.46Å; H431-L460 VanDerWaalsContact CE1-CG 3.47Å; H431-L460 WeakPolarHBondContact CE1-CG 3.32Å; F453-L460 HydrophobicContact CB-CD1 4.37Å; F453-L460 PolarHBondContact O-N 3.38Å
461	P	98.2	Very high	97.1	Very high	89 Å²	89	47 Å²	47	58%	0.578	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-56.7	149.8	167.3	-24.8	35.7	0	0	0	112.5
462	P	98.1	Very high	96.9	Very high	58 Å²	58	49.7 Å²	49.7	38%	0.377	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-70.3	138.4	-179	-16.5	29.3	0	0	0	113.7	Q450 M451 I452	Q450-P462 HydrophobicContact CB-CB 3.93Å; Q450-P462 HydrophobicContact CG-CB 4.35Å; M451-P462 CarbonylContact O-C 3.53Å; M451-P462 VanDerWaalsContact O-CA 3.3Å; M451-P462 WeakPolarHBondContact O-CA 3.32Å; I452-P462 HydrophobicContact CD1-CB 4.38Å; I452-P462 HydrophobicContact CD1-CG 4.06Å; I452-P462 HydrophobicContact CG1-CB 3.95Å; I452-P462 HydrophobicContact CG1-CG 4.11Å
463	E	98	Very high	96.8	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.037	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-93.6	137.3	170.4	-61.2	-51	143.1	0	0	111.6	I420 K427 Q450 M451 F453 Q465	I420-E463 HydrophobicContact CG2-CG 3.95Å; K427-E463 VanDerWaalsContact CE-CD 3.48Å; K427-E463 WeakPolarHBondContact CE-OE1 3.2Å; K427-E463 WeakPolarHBondContact CE-OE2 3.28Å; K427-E463 IonicContact NZ-OE1 2.71Å; K427-E463 PolarHBondContact NZ-OE1 3.32Å; K427-E463 IonicContact NZ-OE2 3.28Å; K427-E463 PolarHBondContact NZ-OE2 3.47Å; Q450-E463 CarbonylContact C-O 3.57Å; Q450-E463 VanDerWaalsContact CA-O 3.3Å; Q450-E463 WeakPolarHBondContact CA-O 3.27Å; M451-E463 HydrophobicContact CB-CB 4.45Å; M451-E463 PolarHBondContact N-O 3.41Å; M451-E463 PolarHBondContact O-N 3.32Å; F453-E463 HydrophobicContact CD2-CG 4.46Å; F453-E463 HydrophobicContact CE2-CG 3.88Å; E463-Q465 PolarHBondContact OE2-NE2 3.41Å; E463-Q465 PolarHBondContact OE2-OE1 3.1Å
464	K	97.6	Very high	96.8	Very high	116 Å²	116	49.8 Å²	49.8	50%	0.504	29%	0.287	S	S	.	.			trans	-134.2	-9.6	-174	-57.9	-169.1	-179.3	-174	0	114.1	K449 Q450 V466 F467	K449-K464 WeakPolarHBondContact O-CG 3.44Å; Q450-K464 HydrophobicContact CB-CG 4.02Å; K464-V466 VanDerWaalsContact C-N 3.35Å; K464-V466 PolarHBondContact O-N 3.1Å; K464-F467 PolarHBondContact O-N 3.04Å
465	Q	95.3	Very high	96.8	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.379	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.7	-40.8	-169.4	-52.8	84	-7.4	0	0	111	Y422 E463 F467 S468	Y422-Q465 HydrophobicContact CD1-CB 3.64Å; Y422-Q465 HydrophobicContact CD1-CG 4.39Å; Y422-Q465 HydrophobicContact CE1-CB 3.47Å; Y422-Q465 VanDerWaalsContact CE1-CB 3.47Å; Y422-Q465 HydrophobicContact CE1-CG 4.49Å; Y422-Q465 HydrophobicContact CG-CB 4.31Å; Y422-Q465 PolarHBondContact OH-O 3.48Å; E463-Q465 PolarHBondContact OE2-NE2 3.41Å; E463-Q465 PolarHBondContact OE2-OE1 3.1Å; Q465-F467 PolarHBondContact O-N 2.87Å; Q465-S468 WeakPolarHBondContact O-CB 3.22Å; Q465-S468 PolarHBondContact O-N 2.91Å; Q465-S468 PolarHBondContact O-OG 3.34Å
466	V	95.5	Very high	96.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-53.9	-26.7	178	70.6	0	0	0	0	113.9	C411 Y422 M451 K464 S468 S469 A470 F474	C411-V466 HydrophobicContact CB-CB 4.35Å; Y422-V466 HydrophobicContact CD2-CB 4.09Å; Y422-V466 HydrophobicContact CD2-CG2 4.45Å; Y422-V466 VanDerWaalsContact CE2-CA 3.48Å; Y422-V466 HydrophobicContact CE2-CB 3.91Å; Y422-V466 HydrophobicContact CE2-CG2 4.19Å; M451-V466 HydrophobicContact CE-CG1 3.49Å; M451-V466 VanDerWaalsContact CE-CG1 3.49Å; M451-V466 HydrophobicContact SD-CG1 3.84Å; K464-V466 VanDerWaalsContact C-N 3.35Å; K464-V466 PolarHBondContact O-N 3.1Å; V466-S468 PolarHBondContact O-N 2.9Å; V466-S469 PolarHBondContact O-N 3.23Å; V466-S469 VanDerWaalsContact O-N 3.11Å; V466-A470 PolarHBondContact O-N 2.92Å; V466-F474 HydrophobicContact CG1-CZ 4.41Å; V466-F474 HydrophobicContact CG2-CE1 4.07Å; V466-F474 HydrophobicContact CG2-CZ 4.25Å
467	F	97.1	Very high	96.8	Very high	17 Å²	17	47 Å²	47	8%	0.075	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-75.4	-2.5	179.1	-60.6	-80.6	0	0	0	115	L444 L446 K449 Q450 M451 K464 Q465 S469 A470 F474	L444-F467 HydrophobicContact CD1-CE1 4.28Å; L444-F467 HydrophobicContact CD1-CZ 3.66Å; L446-F467 HydrophobicContact CD2-CE1 3.76Å; L446-F467 HydrophobicContact CD2-CZ 4.4Å; K449-F467 HydrophobicContact CB-CB 4.01Å; K449-F467 HydrophobicContact CB-CD1 3.87Å; K449-F467 HydrophobicContact CB-CD2 4.02Å; K449-F467 HydrophobicContact CB-CE1 4.34Å; K449-F467 HydrophobicContact CB-CE2 4.48Å; K449-F467 HydrophobicContact CB-CG 3.68Å; K449-F467 HydrophobicContact CD-CB 4.38Å; K449-F467 HydrophobicContact CG-CD1 4.17Å; K449-F467 HydrophobicContact CG-CG 4.37Å; K449-F467 WeakPolarHBondContact O-CD2 3.27Å; K449-F467 WeakPolarHBondContact O-CE2 3.42Å; Q450-F467 VanDerWaalsContact CA-CE2 3.5Å; Q450-F467 VanDerWaalsContact N-CE2 3.29Å; M451-F467 HydrophobicContact CE-CE2 4.41Å; M451-F467 HydrophobicContact CE-CZ 4.1Å; M451-F467 HydrophobicContact CG-CE2 4.15Å; M451-F467 HydrophobicContact CG-CZ 4.2Å; K464-F467 PolarHBondContact O-N 3.04Å; Q465-F467 PolarHBondContact O-N 2.87Å; F467-S469 VanDerWaalsContact C-N 3.28Å; F467-A470 WeakPolarHBondContact CA-O 3.27Å; F467-A470 WeakPolarHBondContact CD1-O 3.37Å; F467-F474 HydrophobicContact CD1-CE2 4.34Å; F467-F474 HydrophobicContact CD1-CZ 4.48Å; F467-F474 AromaticContact CE1-CE2 3.78Å; F467-F474 HydrophobicContact CE1-CE2 3.78Å; F467-F474 HydrophobicContact CE1-CZ 4.11Å
468	S	95.1	Very high	96.8	Very high	96 Å²	96	45.3 Å²	45.3	67%	0.671	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-70.8	-28	165.3	62.9	0	0	0	0	112.4	Y422 Q465 V466	Y422-S468 PolarHBondContact OH-OG 3.43Å; Q465-S468 WeakPolarHBondContact O-CB 3.22Å; Q465-S468 PolarHBondContact O-N 2.91Å; Q465-S468 PolarHBondContact O-OG 3.34Å; V466-S468 PolarHBondContact O-N 2.9Å
469	S	94.8	Very high	96.8	Very high	47 Å²	47	38.9 Å²	38.9	33%	0.329	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-31.9	-172.7	-52.8	0	0	0	0	112.6	E408 V466 F467	E408-S469 WeakPolarHBondContact O-CB 3.35Å; V466-S469 PolarHBondContact O-N 3.23Å; V466-S469 VanDerWaalsContact O-N 3.11Å; F467-S469 VanDerWaalsContact C-N 3.28Å
470	A	92.5	Very high	96.8	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	20%	0.197	C	C	.	.			trans	-130.3	122.4	-179.8	0	0	0	0	0	112.4	T391 Y409 V466 F467 F474	T391-A470 HydrophobicContact CG2-CB 3.62Å; Y409-A470 HydrophobicContact CD1-CB 4.34Å; V466-A470 PolarHBondContact O-N 2.92Å; F467-A470 WeakPolarHBondContact CA-O 3.27Å; F467-A470 WeakPolarHBondContact CD1-O 3.37Å; A470-F474 HydrophobicContact CB-CE1 4.17Å; A470-F474 HydrophobicContact CB-CE2 4.37Å; A470-F474 HydrophobicContact CB-CZ 3.66Å
471	T	92.3	Very high	96.6	Very high	79 Å²	79	35.1 Å²	35.1	49%	0.485	21%	0.208	S	C	.	.	S	Bend	trans	-110.2	-11.2	-178.6	55.8	0	0	0	0	115.2
472	S	94.4	Very high	96.3	Very high	57 Å²	57	31 Å²	31	40%	0.399	18%	0.182	S	C	.	.	S	Bend	trans	-158.3	-179	-179.4	62	0	0	0	0	109.2
473	G	96.4	Very high	96.2	Very high	14 Å²	14	28.9 Å²	28.9	14%	0.144	17%	0.166	C	C	.	.			trans	78.1	27.9	173.6	0	0	0	0	0	114.7	C367 V368 D369 T391 F475	C367-G473 WeakPolarHBondContact SG-CA 3.5Å; V368-G473 PolarHBondContact O-N 3.24Å; D369-G473 VanDerWaalsContact OD1-CA 3.24Å; D369-G473 WeakPolarHBondContact OD1-CA 3.33Å; D369-G473 PolarHBondContact OD1-N 3.09Å; T391-G473 WeakPolarHBondContact CA-O 3.24Å; T391-G473 WeakPolarHBondContact CB-O 3.47Å; G473-F475 WeakPolarHBondContact O-CD2 3.45Å; G473-F475 WeakPolarHBondContact O-CE2 3.44Å
474	F	98.4	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-84.3	148.4	-176.1	-72.7	-80.7	0	0	0	112.1	V368 W389 A390 T391 L444 L446 M451 V466 F467 A470	V368-F474 HydrophobicContact CG2-CB 3.97Å; V368-F474 WeakPolarHBondContact CG2-O 3.36Å; V368-F474 PolarHBondContact N-O 3.16Å; V368-F474 PolarHBondContact O-N 3.34Å; W389-F474 HydrophobicContact CB-CD1 3.93Å; W389-F474 HydrophobicContact CE3-CB 4.02Å; A390-F474 CarbonylContact O-C 3.35Å; T391-F474 HydrophobicContact CG2-CD1 3.87Å; T391-F474 HydrophobicContact CG2-CE1 3.81Å; T391-F474 HydrophobicContact CG2-CG 4.33Å; T391-F474 HydrophobicContact CG2-CZ 4.24Å; L444-F474 HydrophobicContact CD2-CB 3.69Å; L444-F474 HydrophobicContact CD2-CD2 4.07Å; L444-F474 HydrophobicContact CD2-CG 4.02Å; L446-F474 HydrophobicContact CD2-CD2 3.84Å; L446-F474 HydrophobicContact CD2-CE2 4Å; M451-F474 HydrophobicContact CE-CD1 3.74Å; M451-F474 HydrophobicContact CE-CE1 3.37Å; M451-F474 HydrophobicContact CE-CE2 4.39Å; M451-F474 HydrophobicContact CE-CG 4.4Å; M451-F474 HydrophobicContact CE-CZ 3.73Å; V466-F474 HydrophobicContact CG1-CZ 4.41Å; V466-F474 HydrophobicContact CG2-CE1 4.07Å; V466-F474 HydrophobicContact CG2-CZ 4.25Å; F467-F474 HydrophobicContact CD1-CE2 4.34Å; F467-F474 HydrophobicContact CD1-CZ 4.48Å; F467-F474 AromaticContact CE1-CE2 3.78Å; F467-F474 HydrophobicContact CE1-CE2 3.78Å; F467-F474 HydrophobicContact CE1-CZ 4.11Å; A470-F474 HydrophobicContact CB-CE1 4.17Å; A470-F474 HydrophobicContact CB-CE2 4.37Å; A470-F474 HydrophobicContact CB-CZ 3.66Å
475	F	98.7	Very high	96.2	Very high	10 Å²	10	23.2 Å²	23.2	4%	0.044	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.9	172.1	-64	-99.5	0	0	0	107.9	R363 C364 F366 C367 W389 A390 K392 G473 A477	R363-F475 HydrophobicContact CB-CB 4.1Å; R363-F475 HydrophobicContact CB-CG 4.43Å; R363-F475 HydrophobicContact CG-CB 4.05Å; C364-F475 VanDerWaalsContact O-CD1 3.31Å; C364-F475 WeakPolarHBondContact O-CD1 3.45Å; F366-F475 VanDerWaalsContact O-CD1 3.29Å; F366-F475 WeakPolarHBondContact O-CD1 3.49Å; C367-F475 HydrophobicContact CB-CD1 4.41Å; C367-F475 HydrophobicContact CB-CE1 3.59Å; C367-F475 HydrophobicContact CB-CE2 3.9Å; C367-F475 HydrophobicContact CB-CZ 3.27Å; C367-F475 VanDerWaalsContact SG-CE2 3.53Å; C367-F475 VanDerWaalsContact SG-CZ 3.52Å; W389-F475 WeakPolarHBondContact CA-O 3.37Å; A390-F475 PolarHBondContact N-O 2.88Å; A390-F475 PolarHBondContact O-N 3.08Å; K392-F475 HydrophobicContact CD-CE2 4.41Å; K392-F475 HydrophobicContact CD-CZ 4.45Å; K392-F475 HydrophobicContact CG-CE2 3.69Å; K392-F475 HydrophobicContact CG-CZ 4.13Å; G473-F475 WeakPolarHBondContact O-CD2 3.45Å; G473-F475 WeakPolarHBondContact O-CE2 3.44Å; F475-A477 PolarHBondContact O-N 3.43Å
476	A	98.7	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134	158.4	0	0	0	0	0	108.6	R363 C364 Y375 F490 F506	R363-A476 CarbonylContact C-O 3.52Å; C364-A476 HydrophobicContact CB-CB 4.26Å; C364-A476 PolarHBondContact N-O 3.34Å; C364-A476 PolarHBondContact SG-N 3.13Å; C364-A476 VanDerWaalsContact SG-N 3.41Å; Y375-A476 HydrophobicContact CD1-CB 3.87Å; Y375-A476 HydrophobicContact CD2-CB 4.36Å; Y375-A476 HydrophobicContact CE1-CB 3.47Å; Y375-A476 VanDerWaalsContact CE1-CB 3.47Å; Y375-A476 HydrophobicContact CE2-CB 4.01Å; Y375-A476 HydrophobicContact CG-CB 4.3Å; A476-F490 HydrophobicContact CB-CD1 4.49Å; A476-F490 HydrophobicContact CB-CE1 3.61Å; A476-F490 HydrophobicContact CB-CZ 4.4Å; A476-F506 HydrophobicContact CB-CE1 4.26Å; A476-F506 HydrophobicContact CB-CZ 3.93Å
477	A	98.4	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.1	-173.1	0	0	0	0	0	111.3	V362 R363 G388 A390 I404 F475	V362-A477 CarbonylContact O-C 3.56Å; V362-A477 WeakPolarHBondContact O-CA 3.37Å; V362-A477 WeakPolarHBondContact O-CB 3.25Å; R363-A477 HydrophobicContact CG-CB 3.92Å; G388-A477 PolarHBondContact N-O 2.56Å; G388-A477 PolarHBondContact O-N 3.43Å; A390-A477 HydrophobicContact CB-CB 3.73Å; I404-A477 HydrophobicContact CD1-CB 3.66Å; I404-A477 HydrophobicContact CG1-CB 3.84Å; I404-A477 HydrophobicContact CG2-CB 4.38Å; F475-A477 PolarHBondContact O-N 3.43Å
478	A	98.5	Very high	96.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	150.7	175.7	0	0	0	0	0	112.4	S361 V362 Q386 I387 F480 F488	S361-A478 CarbonylContact C-O 3.55Å; S361-A478 VanDerWaalsContact CA-O 3.27Å; S361-A478 WeakPolarHBondContact CA-O 3.45Å; V362-A478 PolarHBondContact N-O 3.48Å; V362-A478 PolarHBondContact O-N 3.25Å; Q386-A478 CarbonylContact O-C 3.54Å; Q386-A478 VanDerWaalsContact O-CA 3.26Å; Q386-A478 WeakPolarHBondContact O-CA 3.27Å; I387-A478 HydrophobicContact CB-CB 4.44Å; I387-A478 HydrophobicContact CG1-CB 4.07Å; I387-A478 HydrophobicContact CG2-CB 4.25Å; A478-F480 HydrophobicContact CB-CD2 4.37Å; A478-F480 HydrophobicContact CB-CE2 3.51Å; A478-F480 HydrophobicContact CB-CZ 3.79Å; A478-F488 HydrophobicContact CB-CE1 4.09Å; A478-F488 HydrophobicContact CB-CZ 3.57Å
479	S	98.2	Very high	96.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.1	170.1	-57.2	0	0	0	0	110.5	E360 S361 M385 Q386 G403 I404	E360-S479 CarbonylContact O-C 3.36Å; E360-S479 VanDerWaalsContact O-CA 3.24Å; E360-S479 WeakPolarHBondContact O-CA 3.37Å; S361-S479 WeakPolarHBondContact OG-CB 3.38Å; S361-S479 PolarHBondContact OG-OG 3.42Å; M385-S479 CarbonylContact C-O 3.54Å; M385-S479 VanDerWaalsContact CA-O 3.3Å; M385-S479 WeakPolarHBondContact CA-O 3.36Å; Q386-S479 PolarHBondContact N-O 2.94Å; Q386-S479 PolarHBondContact O-N 3.39Å; G403-S479 WeakPolarHBondContact CA-OG 3.42Å; I404-S479 WeakPolarHBondContact CG1-OG 3.45Å; I404-S479 PolarHBondContact N-OG 3.19Å
480	F	97.4	Very high	97	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.4	-169.5	-62.2	-97.9	0	0	0	110.9	L343 A352 C354 F359 E360 V362 M385 A478 Q484 C486 F488	L343-F480 HydrophobicContact CD1-CB 4.3Å; L343-F480 HydrophobicContact CD1-CD2 3.7Å; L343-F480 HydrophobicContact CD1-CE2 4.25Å; L343-F480 HydrophobicContact CD1-CG 4.09Å; L343-F480 HydrophobicContact CD2-CD2 4.34Å; L343-F480 HydrophobicContact CD2-CE2 4.27Å; A352-F480 HydrophobicContact CB-CE2 4.29Å; A352-F480 HydrophobicContact CB-CZ 4.03Å; C354-F480 HydrophobicContact CB-CB 3.55Å; C354-F480 HydrophobicContact CB-CG 4.5Å; F359-F480 WeakPolarHBondContact CD2-O 3.37Å; E360-F480 PolarHBondContact N-O 2.93Å; E360-F480 PolarHBondContact O-N 3.32Å; V362-F480 HydrophobicContact CG1-CE2 4.16Å; M385-F480 HydrophobicContact CG-CD1 3.76Å; M385-F480 HydrophobicContact CG-CE1 4.31Å; M385-F480 HydrophobicContact CG-CG 4.46Å; M385-F480 HydrophobicContact SD-CD1 3.57Å; M385-F480 VanDerWaalsContact SD-CD1 3.57Å; M385-F480 HydrophobicContact SD-CE1 3.64Å; A478-F480 HydrophobicContact CB-CD2 4.37Å; A478-F480 HydrophobicContact CB-CE2 3.51Å; A478-F480 HydrophobicContact CB-CZ 3.79Å; F480-Q484 HydrophobicContact CD1-CB 4.26Å; F480-C486 HydrophobicContact CE1-CB 4.4Å; F480-C486 WeakPolarHBondContact CE1-SG 3.3Å; F480-C486 VanDerWaalsContact CZ-SG 3.51Å; F480-F488 HydrophobicContact CZ-CE2 4.05Å; F480-F488 HydrophobicContact CZ-CZ 4.05Å
481	M	94.3	Very high	97.2	Very high	56 Å²	56	13.8 Å²	13.8	28%	0.276	9%	0.085	S	C	.	.			trans	-72.2	169.2	163.9	-161.7	176.8	-171.5	0	0	109.9	A170 F359 V384 Y483 Q484	A170-M481 HydrophobicContact CB-CE 4.24Å; A170-M481 HydrophobicContact CB-SD 4.45Å; F359-M481 HydrophobicContact CD2-CB 4.36Å; F359-M481 HydrophobicContact CE2-CB 4.39Å; V384-M481 HydrophobicContact CB-CB 4.02Å; V384-M481 HydrophobicContact CB-SD 3.89Å; V384-M481 HydrophobicContact CG1-CB 4.49Å; V384-M481 HydrophobicContact CG2-SD 4.15Å; V384-M481 WeakPolarHBondContact O-CB 3.37Å; V384-M481 PolarHBondContact O-N 3.24Å; V384-M481 VanDerWaalsContact O-N 3.11Å; M481-Y483 PolarHBondContact O-N 3.25Å; M481-Q484 HydrophobicContact CB-CG 4.24Å; M481-Q484 WeakPolarHBondContact O-CB 3.19Å; M481-Q484 WeakPolarHBondContact O-CG 3.32Å; M481-Q484 PolarHBondContact O-N 3.48Å
482	S	93.1	Very high	97.4	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.028	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	137.9	173.7	-45.6	0	0	0	0	112.7	A356 S357 Q484	A356-S482 WeakPolarHBondContact O-CA 3.26Å; A356-S482 VanDerWaalsContact O-CB 3.27Å; A356-S482 WeakPolarHBondContact O-CB 3.38Å; A356-S482 PolarHBondContact O-OG 3.47Å; S357-S482 WeakPolarHBondContact CA-OG 3.39Å; S482-Q484 PolarHBondContact O-N 2.93Å; S482-Q484 PolarHBondContact O-NE2 3.11Å
483	Y	96.3	Very high	97.5	Very high	12 Å²	12	13 Å²	13	5%	0.047	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	17.8	175.6	-40.8	-56.6	0	0	0	115.2	P169 T173 F257 I260 C354 M481	P169-Y483 HydrophobicContact CB-CD2 3.73Å; P169-Y483 HydrophobicContact CB-CE2 3.9Å; T173-Y483 WeakPolarHBondContact OG1-CE2 3.3Å; T173-Y483 PolarHBondContact OG1-OH 2.84Å; F257-Y483 HydrophobicContact CD1-CE1 4.49Å; F257-Y483 AromaticContact CE1-CD1 3.75Å; F257-Y483 HydrophobicContact CE1-CD1 3.75Å; F257-Y483 AromaticContact CE1-CD2 3.95Å; F257-Y483 HydrophobicContact CE1-CD2 3.95Å; F257-Y483 AromaticContact CE1-CE1 3.75Å; F257-Y483 HydrophobicContact CE1-CE1 3.75Å; F257-Y483 AromaticContact CE1-CE2 3.91Å; F257-Y483 HydrophobicContact CE1-CE2 3.91Å; F257-Y483 AromaticContact CE1-CG 3.84Å; F257-Y483 HydrophobicContact CE1-CG 3.84Å; F257-Y483 AromaticContact CE1-CZ 3.82Å; F257-Y483 HydrophobicContact CZ-CD1 4.09Å; F257-Y483 HydrophobicContact CZ-CD2 4.06Å; F257-Y483 HydrophobicContact CZ-CE2 4.47Å; F257-Y483 AromaticContact CZ-CG 3.83Å; F257-Y483 HydrophobicContact CZ-CG 3.83Å; I260-Y483 HydrophobicContact CD1-CD1 3.99Å; I260-Y483 HydrophobicContact CD1-CE1 4.27Å; I260-Y483 HydrophobicContact CG2-CE1 4.23Å; C354-Y483 CarbonylContact O-C 3.6Å; C354-Y483 WeakPolarHBondContact O-CA 3.04Å; C354-Y483 PolarHBondContact O-N 3.42Å; M481-Y483 PolarHBondContact O-N 3.25Å
484	Q	97.4	Very high	97.5	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.023	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145.9	-178.7	-54.2	-45.4	-50	0	0	113.5	R353 C354 T381 G383 V384 M385 F480 M481 S482	R353-Q484 CarbonylContact C-O 3.46Å; R353-Q484 WeakPolarHBondContact CA-O 3.39Å; R353-Q484 WeakPolarHBondContact CG-O 3.35Å; C354-Q484 PolarHBondContact N-O 3.33Å; C354-Q484 PolarHBondContact O-N 3Å; T381-Q484 VanDerWaalsContact OG1-CA 3.24Å; T381-Q484 WeakPolarHBondContact OG1-CA 3.46Å; T381-Q484 PolarHBondContact OG1-OE1 3.1Å; G383-Q484 VanDerWaalsContact CA-CD 3.45Å; V384-Q484 WeakPolarHBondContact O-CG 3.42Å; M385-Q484 HydrophobicContact CG-CB 3.55Å; M385-Q484 HydrophobicContact CG-CG 4.03Å; M385-Q484 HydrophobicContact SD-CB 3.81Å; F480-Q484 HydrophobicContact CD1-CB 4.26Å; M481-Q484 HydrophobicContact CB-CG 4.24Å; M481-Q484 WeakPolarHBondContact O-CB 3.19Å; M481-Q484 WeakPolarHBondContact O-CG 3.32Å; M481-Q484 PolarHBondContact O-N 3.48Å; S482-Q484 PolarHBondContact O-N 2.93Å; S482-Q484 PolarHBondContact O-NE2 3.11Å
485	Q	98.5	Very high	97.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.7	-175.2	-174.2	167.7	-20.5	0	0	112.4	Q300 E351 A352 R353 V380 T381	Q300-Q485 VanDerWaalsContact CG-OE1 3.32Å; E351-Q485 HydrophobicContact CG-CG 4.28Å; E351-Q485 PolarHBondContact OE1-NE2 2.65Å; A352-Q485 VanDerWaalsContact O-CA 3.27Å; A352-Q485 WeakPolarHBondContact O-CA 3.48Å; A352-Q485 WeakPolarHBondContact O-CG 3.21Å; R353-Q485 HydrophobicContact CB-CB 4.09Å; R353-Q485 HydrophobicContact CB-CG 4.02Å; R353-Q485 VanDerWaalsContact CD-OE1 3.31Å; R353-Q485 HydrophobicContact CG-CB 4.08Å; R353-Q485 HydrophobicContact CG-CG 4.43Å; V380-Q485 HydrophobicContact CB-CB 4.01Å; V380-Q485 HydrophobicContact CB-CG 3.86Å; V380-Q485 WeakPolarHBondContact CB-O 3.05Å; V380-Q485 HydrophobicContact CG1-CB 4.08Å; V380-Q485 HydrophobicContact CG1-CG 3.84Å; V380-Q485 HydrophobicContact CG2-CG 4.3Å; V380-Q485 PolarHBondContact N-O 3.17Å; V380-Q485 VanDerWaalsContact N-O 3.11Å; T381-Q485 HydrophobicContact CG2-CB 4.12Å; T381-Q485 PolarHBondContact N-O 2.92Å; T381-Q485 PolarHBondContact OG1-N 2.93Å; T381-Q485 PolarHBondContact OG1-O 3.2Å
486	C	98.5	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	161.5	170.2	73.7	0	0	0	0	112.7	E351 A352 V377 T378 M385 F480 F488	E351-C486 WeakPolarHBondContact CA-O 3.32Å; A352-C486 PolarHBondContact N-O 2.96Å; A352-C486 VanDerWaalsContact N-O 3.08Å; A352-C486 PolarHBondContact O-N 2.9Å; A352-C486 VanDerWaalsContact O-N 3.13Å; V377-C486 HydrophobicContact CG1-CB 3.58Å; V377-C486 VanDerWaalsContact CG1-SG 3.57Å; T378-C486 WeakPolarHBondContact O-CA 3.32Å; T378-C486 WeakPolarHBondContact O-CB 3.33Å; M385-C486 HydrophobicContact SD-CB 4.22Å; F480-C486 HydrophobicContact CE1-CB 4.4Å; F480-C486 WeakPolarHBondContact CE1-SG 3.3Å; F480-C486 VanDerWaalsContact CZ-SG 3.51Å; C486-F488 WeakPolarHBondContact SG-CE2 3.42Å
487	E	98.6	Very high	97.5	Very high	30 Å²	30	28.9 Å²	28.9	14%	0.14	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.1	178.4	-175.6	-168.3	175.5	0	0	110.9	R299 L350 E351 V377 T378 K493	R299-E487 IonicContact CZ-OE2 2.66Å; R299-E487 IonicContact NH1-OE2 3.95Å; R299-E487 PolarHBondContact NH1-OE2 3.35Å; R299-E487 VanDerWaalsContact NH1-OE2 3.09Å; R299-E487 VanDerWaalsContact NH2-CD 3.25Å; R299-E487 IonicContact NH2-OE1 3.09Å; R299-E487 IonicContact NH2-OE2 3.2Å; R299-E487 PolarHBondContact NH2-OE2 3.2Å; L350-E487 CarbonylContact O-C 3.53Å; L350-E487 WeakPolarHBondContact O-CA 3.17Å; E351-E487 HydrophobicContact CB-CB 4.48Å; E351-E487 HydrophobicContact CB-CG 4.47Å; E351-E487 HydrophobicContact CG-CB 4.47Å; V377-E487 CarbonylContact C-O 3.56Å; V377-E487 VanDerWaalsContact CA-O 3.25Å; V377-E487 WeakPolarHBondContact CA-O 3.44Å; T378-E487 PolarHBondContact N-O 3.36Å; T378-E487 PolarHBondContact O-N 3.39Å; E487-K493 IonicContact OE1-NZ 2.64Å; E487-K493 PolarHBondContact OE1-NZ 3.48Å; E487-K493 IonicContact OE2-NZ 3.33Å; E487-K493 PolarHBondContact OE2-NZ 3.36Å
488	F	98.8	Very high	97.5	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.4	177.7	-61.9	-101.5	0	0	0	111.3	L334 L350 Y375 V377 I387 A478 F480 C486 F490	L334-F488 HydrophobicContact CD1-CD2 3.7Å; L334-F488 HydrophobicContact CD1-CE2 3.74Å; L334-F488 HydrophobicContact CD2-CD1 4.21Å; L334-F488 HydrophobicContact CD2-CD2 3.96Å; L334-F488 HydrophobicContact CD2-CE1 4.21Å; L334-F488 HydrophobicContact CD2-CE2 3.97Å; L334-F488 HydrophobicContact CD2-CG 4.11Å; L334-F488 HydrophobicContact CD2-CZ 4.11Å; L334-F488 HydrophobicContact CG-CD2 4.06Å; L334-F488 HydrophobicContact CG-CE2 4.33Å; L334-F488 HydrophobicContact CG-CG 4.44Å; L350-F488 PolarHBondContact O-N 3.28Å; Y375-F488 HydrophobicContact CE2-CD1 4.29Å; V377-F488 HydrophobicContact CG2-CD1 3.53Å; V377-F488 HydrophobicContact CG2-CE1 3.73Å; V377-F488 HydrophobicContact CG2-CG 4.15Å; V377-F488 HydrophobicContact CG2-CZ 4.49Å; I387-F488 HydrophobicContact CG2-CE1 4.28Å; A478-F488 HydrophobicContact CB-CE1 4.09Å; A478-F488 HydrophobicContact CB-CZ 3.57Å; F480-F488 HydrophobicContact CZ-CE2 4.05Å; F480-F488 HydrophobicContact CZ-CZ 4.05Å; C486-F488 WeakPolarHBondContact SG-CE2 3.42Å; F488-F490 HydrophobicContact CB-CD2 4.33Å; F488-F490 HydrophobicContact CB-CE1 4.32Å; F488-F490 HydrophobicContact CB-CE2 3.7Å; F488-F490 HydrophobicContact CB-CZ 3.69Å; F488-F490 HydrophobicContact CD1-CE1 4.25Å; F488-F490 AromaticContact CD1-CZ 3.83Å; F488-F490 HydrophobicContact CD1-CZ 3.83Å; F488-F490 HydrophobicContact CG-CE2 4.35Å; F488-F490 AromaticContact CG-CZ 3.97Å; F488-F490 HydrophobicContact CG-CZ 3.97Å
489	N	98.7	Very high	97.4	Very high	5 Å²	5	33 Å²	33	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	105.8	167.4	-178.3	13.6	0	0	0	109.3	Y375 E376 G491 A492 K493 F495	Y375-N489 WeakPolarHBondContact CB-O 3.25Å; E376-N489 HydrophobicContact CB-CB 4.43Å; E376-N489 PolarHBondContact N-O 3.41Å; E376-N489 VanDerWaalsContact N-O 3.1Å; E376-N489 PolarHBondContact O-N 3.24Å; N489-G491 VanDerWaalsContact C-N 3.26Å; N489-G491 PolarHBondContact O-N 3.01Å; N489-G491 PolarHBondContact OD1-N 3.46Å; N489-A492 PolarHBondContact OD1-N 3.1Å; N489-K493 HydrophobicContact CB-CG 4.33Å; N489-K493 VanDerWaalsContact CG-CG 3.47Å; N489-K493 VanDerWaalsContact ND2-CG 3.31Å; N489-K493 WeakPolarHBondContact ND2-CG 3.16Å; N489-K493 PolarHBondContact ND2-O 3.38Å; N489-K493 PolarHBondContact OD1-N 3.23Å; N489-K493 PolarHBondContact OD1-O 3.35Å; N489-F495 HydrophobicContact CB-CE1 4.39Å; N489-F495 VanDerWaalsContact ND2-CD1 3.34Å; N489-F495 WeakPolarHBondContact ND2-CD1 3.14Å; N489-F495 WeakPolarHBondContact O-CE1 3.49Å
490	F	98.7	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-86.2	8.1	177.1	-68.2	-54.3	0	0	0	113.6	A332 L334 L350 C364 Y375 A476 F488 F506 N507	A332-F490 HydrophobicContact CB-CB 4.02Å; A332-F490 HydrophobicContact CB-CD2 4.48Å; A332-F490 HydrophobicContact CB-CG 4.28Å; A332-F490 WeakPolarHBondContact O-CD2 3.4Å; L334-F490 HydrophobicContact CD2-CE2 4.45Å; L334-F490 HydrophobicContact CD2-CZ 4.12Å; L350-F490 HydrophobicContact CD2-CD2 3.69Å; L350-F490 HydrophobicContact CD2-CE2 4.11Å; C364-F490 HydrophobicContact CB-CE1 3.97Å; C364-F490 HydrophobicContact CB-CE2 4.3Å; C364-F490 HydrophobicContact CB-CZ 3.7Å; Y375-F490 HydrophobicContact CD2-CE1 4.29Å; Y375-F490 HydrophobicContact CG-CD1 4.44Å; Y375-F490 HydrophobicContact CG-CE1 4.46Å; A476-F490 HydrophobicContact CB-CD1 4.49Å; A476-F490 HydrophobicContact CB-CE1 3.61Å; A476-F490 HydrophobicContact CB-CZ 4.4Å; F488-F490 HydrophobicContact CB-CD2 4.33Å; F488-F490 HydrophobicContact CB-CE1 4.32Å; F488-F490 HydrophobicContact CB-CE2 3.7Å; F488-F490 HydrophobicContact CB-CZ 3.69Å; F488-F490 HydrophobicContact CD1-CE1 4.25Å; F488-F490 AromaticContact CD1-CZ 3.83Å; F488-F490 HydrophobicContact CD1-CZ 3.83Å; F488-F490 HydrophobicContact CG-CE2 4.35Å; F488-F490 AromaticContact CG-CZ 3.97Å; F488-F490 HydrophobicContact CG-CZ 3.97Å; F490-F506 HydrophobicContact CB-CB 3.96Å; F490-F506 HydrophobicContact CD1-CB 4.48Å; F490-F506 HydrophobicContact CD1-CD1 4.48Å; F490-F506 HydrophobicContact CD1-CD2 4.28Å; F490-F506 HydrophobicContact CD1-CG 4.2Å; F490-F506 PolarHBondContact O-N 3.25Å; F490-F506 VanDerWaalsContact O-N 3.16Å; F490-N507 WeakPolarHBondContact O-CB 3.21Å; F490-N507 PolarHBondContact O-N 3.45Å
491	G	98	Very high	97.2	Very high	17 Å²	17	42.2 Å²	42.2	18%	0.175	24%	0.237	C	C	.	.	S	Bend	trans	107	6.2	-174.6	0	0	0	0	0	114.1	N489 K493	N489-G491 VanDerWaalsContact C-N 3.26Å; N489-G491 PolarHBondContact O-N 3.01Å; N489-G491 PolarHBondContact OD1-N 3.46Å; G491-K493 VanDerWaalsContact C-N 3.29Å
492	A	96.1	Very high	97.3	Very high	32 Å²	32	49 Å²	49	26%	0.264	27%	0.265	S	S	.	.	S	Bend	trans	-72.6	-24	176.6	0	0	0	0	0	113	I330 N489 N507	I330-A492 HydrophobicContact CD1-CB 3.66Å; N489-A492 PolarHBondContact OD1-N 3.1Å; A492-N507 WeakPolarHBondContact CA-ND2 3.44Å
493	K	95.8	Very high	97.6	Very high	87 Å²	87	51.7 Å²	51.7	38%	0.378	28%	0.276	S	S	.	.	S	Bend	trans	-126.1	156	170.8	65.7	-174.8	-178.5	-176.1	0	109.8	E487 N489 G491 F495	E487-K493 IonicContact OE1-NZ 2.64Å; E487-K493 PolarHBondContact OE1-NZ 3.48Å; E487-K493 IonicContact OE2-NZ 3.33Å; E487-K493 PolarHBondContact OE2-NZ 3.36Å; N489-K493 HydrophobicContact CB-CG 4.33Å; N489-K493 VanDerWaalsContact CG-CG 3.47Å; N489-K493 VanDerWaalsContact ND2-CG 3.31Å; N489-K493 WeakPolarHBondContact ND2-CG 3.16Å; N489-K493 PolarHBondContact ND2-O 3.38Å; N489-K493 PolarHBondContact OD1-N 3.23Å; N489-K493 PolarHBondContact OD1-O 3.35Å; G491-K493 VanDerWaalsContact C-N 3.29Å; K493-F495 PolarHBondContact O-N 3.48Å
494	P	97.4	Very high	97.7	Very high	122 Å²	122	52.6 Å²	52.6	79%	0.792	28%	0.284	S	S	*	.			trans	-53.4	137	175.2	-26.1	35	0	0	0	112.1
495	F	98.5	Very high	97.7	Very high	33 Å²	33	52.9 Å²	52.9	15%	0.145	29%	0.287	C	S	.	.			trans	-68	143.3	173.1	-63.9	-56.9	0	0	0	111	Y374 E376 N489 K493 P498 F503 T505	Y374-F495 HydrophobicContact CD1-CD1 4.27Å; Y374-F495 AromaticContact CD1-CD2 3.96Å; Y374-F495 HydrophobicContact CD1-CD2 3.96Å; Y374-F495 HydrophobicContact CD1-CE1 4.24Å; Y374-F495 AromaticContact CD1-CE2 3.93Å; Y374-F495 HydrophobicContact CD1-CE2 3.93Å; Y374-F495 HydrophobicContact CD1-CG 4.14Å; Y374-F495 HydrophobicContact CD1-CZ 4.07Å; Y374-F495 HydrophobicContact CE1-CB 4.32Å; Y374-F495 HydrophobicContact CE1-CD1 4.02Å; Y374-F495 HydrophobicContact CE1-CD2 4.15Å; Y374-F495 HydrophobicContact CE1-CE1 4.39Å; Y374-F495 AromaticContact CE1-CG 3.9Å; Y374-F495 HydrophobicContact CE1-CG 3.9Å; E376-F495 HydrophobicContact CB-CD1 3.92Å; E376-F495 HydrophobicContact CB-CE1 4.37Å; E376-F495 HydrophobicContact CG-CB 4.43Å; E376-F495 HydrophobicContact CG-CD1 3.68Å; E376-F495 HydrophobicContact CG-CE1 4.37Å; E376-F495 HydrophobicContact CG-CG 4.35Å; E376-F495 VanDerWaalsContact OE2-CA 3.3Å; E376-F495 WeakPolarHBondContact OE2-CA 3.31Å; E376-F495 WeakPolarHBondContact OE2-CB 3.29Å; N489-F495 HydrophobicContact CB-CE1 4.39Å; N489-F495 VanDerWaalsContact ND2-CD1 3.34Å; N489-F495 WeakPolarHBondContact ND2-CD1 3.14Å; N489-F495 WeakPolarHBondContact O-CE1 3.49Å; K493-F495 PolarHBondContact O-N 3.48Å; F495-P498 HydrophobicContact CB-CB 4.15Å; F495-F503 HydrophobicContact CD2-CE2 4.02Å; F495-F503 HydrophobicContact CD2-CZ 4.1Å; F495-F503 AromaticContact CE2-CE2 3.71Å; F495-F503 HydrophobicContact CE2-CE2 3.71Å; F495-F503 HydrophobicContact CE2-CZ 4.27Å; F495-T505 HydrophobicContact CE2-CG2 3.58Å; F495-T505 HydrophobicContact CZ-CG2 3.98Å
496	R	98.2	Very high	97.7	Very high	141 Å²	141	52.9 Å²	52.9	53%	0.532	29%	0.287	S	S	.	.	S	Bend	trans	-75.6	-37.3	177.3	-65.4	178.6	75.9	-171.4	1.3	111	E376 G437 A439	E376-R496 PolarHBondContact OE2-N 3.35Å; G437-R496 PolarHBondContact O-NH1 2.96Å; A439-R496 HydrophobicContact CB-CB 4.48Å
497	H	98.3	Very high	97.7	Very high	61 Å²	61	53.6 Å²	53.6	28%	0.282	29%	0.29	S	S	.	.	S	Bend	trans	-136.4	62.7	-175.6	-59.6	-84.4	0	0	0	111.7	Y374 E376 N456	Y374-H497 PolarHBondContact OH-O 2.8Å; E376-H497 WeakPolarHBondContact OE1-CA 3.22Å; E376-H497 PolarHBondContact OE1-N 3.03Å; N456-H497 VanDerWaalsContact C-CG 3.5Å; N456-H497 PolarHBondContact O-ND1 3.36Å
498	P	97.6	Very high	97.6	Very high	73 Å²	73	57.7 Å²	57.7	47%	0.474	31%	0.313	S	S	.	.			trans	-62.2	140.5	179.5	27.7	-34.6	0	0	0	111.2	F495 F503	F495-P498 HydrophobicContact CB-CB 4.15Å; P498-F503 HydrophobicContact CB-CE1 4.17Å; P498-F503 HydrophobicContact CB-CZ 3.99Å
499	P	96.9	Very high	97.5	Very high	14 Å²	14	63.6 Å²	63.6	9%	0.091	34%	0.339	C	S	.	.			trans	-71.8	159.2	178.2	31.3	-36.4	0	0	0	110.9	Y374 L443 Y454 V501 F503	Y374-P499 HydrophobicContact CD1-CG 4.45Å; Y374-P499 HydrophobicContact CD2-CG 3.79Å; Y374-P499 HydrophobicContact CE2-CG 3.97Å; Y374-P499 HydrophobicContact CG-CG 4.05Å; L443-P499 HydrophobicContact CD1-CG 4.1Å; Y454-P499 HydrophobicContact CE1-CB 4.09Å; P499-V501 HydrophobicContact CB-CG2 4.16Å; P499-V501 HydrophobicContact CG-CG2 4.19Å; P499-V501 PolarHBondContact O-N 3.23Å; P499-F503 HydrophobicContact CG-CD1 3.66Å; P499-F503 HydrophobicContact CG-CE1 3.76Å
500	S	95.2	Very high	97.5	Very high	132 Å²	132	63.8 Å²	63.8	92%	0.923	34%	0.341	S	S	*	.	S	Bend	trans	-74.4	-12.8	-178.6	61.3	0	0	0	0	114.3
501	V	96.3	Very high	97.3	Very high	61 Å²	61	68.8 Å²	68.8	37%	0.37	38%	0.376	S	S	.	.	S	Bend	trans	-78.1	155.3	177.6	-62.2	0	0	0	0	110.5	L443 P499 F503	L443-V501 HydrophobicContact CD1-CG2 3.83Å; L443-V501 HydrophobicContact CD2-CG2 3.91Å; P499-V501 HydrophobicContact CB-CG2 4.16Å; P499-V501 HydrophobicContact CG-CG2 4.19Å; P499-V501 PolarHBondContact O-N 3.23Å; V501-F503 WeakPolarHBondContact O-CD1 3.21Å
502	K	97.6	Very high	97.2	Very high	200 Å²	200	69.2 Å²	69.2	87%	0.87	37%	0.374	S	S	*	.			trans	-71.8	132.6	169.8	-67.6	-174	178.3	-176.6	0	109.5
503	F	98.3	Very high	97.1	Very high	59 Å²	59	71.8 Å²	71.8	26%	0.259	38%	0.379	S	S	.	.			trans	-142.5	161.9	179.2	59.8	-95.4	0	0	0	110.9	V372 Y374 L443 F495 P498 P499 V501 T505	V372-F503 HydrophobicContact CG1-CB 4.17Å; V372-F503 CarbonylContact O-C 3.5Å; V372-F503 WeakPolarHBondContact O-CA 3.27Å; Y374-F503 HydrophobicContact CD1-CE2 4.21Å; Y374-F503 HydrophobicContact CD1-CZ 4.29Å; Y374-F503 HydrophobicContact CG-CD2 4.45Å; L443-F503 HydrophobicContact CD1-CB 4.31Å; F495-F503 HydrophobicContact CD2-CE2 4.02Å; F495-F503 HydrophobicContact CD2-CZ 4.1Å; F495-F503 AromaticContact CE2-CE2 3.71Å; F495-F503 HydrophobicContact CE2-CE2 3.71Å; F495-F503 HydrophobicContact CE2-CZ 4.27Å; P498-F503 HydrophobicContact CB-CE1 4.17Å; P498-F503 HydrophobicContact CB-CZ 3.99Å; P499-F503 HydrophobicContact CG-CD1 3.66Å; P499-F503 HydrophobicContact CG-CE1 3.76Å; V501-F503 WeakPolarHBondContact O-CD1 3.21Å; F503-T505 HydrophobicContact CD2-CG2 4.25Å; F503-T505 HydrophobicContact CE2-CG2 3.97Å
504	S	98.4	Very high	97	Very high	32 Å²	32	72.7 Å²	72.7	22%	0.224	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-99.4	153.2	167.6	-65.7	0	0	0	0	110.3	V372 W373 Y374 F509	V372-S504 PolarHBondContact O-N 3.06Å; W373-S504 WeakPolarHBondContact CA-O 3.36Å; Y374-S504 PolarHBondContact N-O 2.79Å; Y374-S504 VanDerWaalsContact N-O 3.11Å; S504-F509 WeakPolarHBondContact OG-CE2 3.46Å
505	T	98.1	Very high	96.6	Very high	11 Å²	11	70 Å²	70	7%	0.067	38%	0.375	C	S	.	.			trans	-108.5	151.4	172.5	83.3	0	0	0	0	110	W373 F495 F503 N507 D508 F509	W373-T505 VanDerWaalsContact CZ3-O 3.29Å; W373-T505 WeakPolarHBondContact CZ3-O 3.47Å; F495-T505 HydrophobicContact CE2-CG2 3.58Å; F495-T505 HydrophobicContact CZ-CG2 3.98Å; F503-T505 HydrophobicContact CD2-CG2 4.25Å; F503-T505 HydrophobicContact CE2-CG2 3.97Å; T505-N507 VanDerWaalsContact C-N 3.29Å; T505-N507 PolarHBondContact O-N 3.12Å; T505-D508 PolarHBondContact O-N 2.87Å; T505-D508 PolarHBondContact OG1-N 3.33Å; T505-D508 PolarHBondContact OG1-OD2 2.91Å; T505-F509 WeakPolarHBondContact O-CD2 3.38Å
506	F	98.2	Very high	96.3	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-41.8	177.5	-67.5	-114.3	0	0	0	110.3	A332 F366 V368 W373 Y375 W389 A476 F490 D508 F509 A510	A332-F506 HydrophobicContact CB-CB 3.65Å; F366-F506 HydrophobicContact CB-CD1 4.11Å; F366-F506 AromaticContact CD1-CD1 3.81Å; F366-F506 HydrophobicContact CD1-CD1 3.81Å; F366-F506 HydrophobicContact CD1-CG 4.46Å; F366-F506 HydrophobicContact CG-CD1 4.45Å; V368-F506 HydrophobicContact CG1-CD1 4.45Å; V368-F506 HydrophobicContact CG1-CE1 4.03Å; V368-F506 HydrophobicContact CG1-CZ 4.32Å; W373-F506 HydrophobicContact CE3-CD2 4.36Å; Y375-F506 AromaticContact CD1-CE2 3.8Å; Y375-F506 HydrophobicContact CD1-CE2 3.8Å; Y375-F506 HydrophobicContact CD1-CZ 4.15Å; Y375-F506 HydrophobicContact CG-CE2 4.27Å; W389-F506 AromaticContact CH2-CE2 3.79Å; W389-F506 HydrophobicContact CH2-CE2 3.79Å; W389-F506 AromaticContact CH2-CZ 3.55Å; W389-F506 HydrophobicContact CH2-CZ 3.55Å; W389-F506 HydrophobicContact CZ3-CE1 4.43Å; W389-F506 HydrophobicContact CZ3-CE2 4.21Å; W389-F506 AromaticContact CZ3-CZ 3.48Å; W389-F506 HydrophobicContact CZ3-CZ 3.48Å; W389-F506 VanDerWaalsContact CZ3-CZ 3.48Å; A476-F506 HydrophobicContact CB-CE1 4.26Å; A476-F506 HydrophobicContact CB-CZ 3.93Å; F490-F506 HydrophobicContact CB-CB 3.96Å; F490-F506 HydrophobicContact CD1-CB 4.48Å; F490-F506 HydrophobicContact CD1-CD1 4.48Å; F490-F506 HydrophobicContact CD1-CD2 4.28Å; F490-F506 HydrophobicContact CD1-CG 4.2Å; F490-F506 PolarHBondContact O-N 3.25Å; F490-F506 VanDerWaalsContact O-N 3.16Å; F506-D508 VanDerWaalsContact C-N 3.28Å; F506-D508 PolarHBondContact O-N 3.41Å; F506-F509 PolarHBondContact O-N 3.4Å; F506-A510 WeakPolarHBondContact O-CB 3.33Å; F506-A510 PolarHBondContact O-N 2.9Å
507	N	97.3	Very high	96.1	Very high	15 Å²	15	66.9 Å²	66.9	8%	0.08	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-25.9	-174.5	-154.3	68.5	0	0	0	114	S329 N331 F490 A492 T505	S329-N507 PolarHBondContact O-ND2 3.34Å; S329-N507 PolarHBondContact O-OD1 2.86Å; N331-N507 WeakPolarHBondContact CB-O 3.42Å; N331-N507 PolarHBondContact N-OD1 3.43Å; N331-N507 PolarHBondContact ND2-O 2.95Å; F490-N507 WeakPolarHBondContact O-CB 3.21Å; F490-N507 PolarHBondContact O-N 3.45Å; A492-N507 WeakPolarHBondContact CA-ND2 3.44Å; T505-N507 VanDerWaalsContact C-N 3.29Å; T505-N507 PolarHBondContact O-N 3.12Å
508	D	97	Very high	95.9	Very high	116 Å²	116	67.2 Å²	67.2	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-78	-25.9	177.1	-64.8	-35.5	0	0	0	113.1	T505 F506	T505-D508 PolarHBondContact O-N 2.87Å; T505-D508 PolarHBondContact OG1-N 3.33Å; T505-D508 PolarHBondContact OG1-OD2 2.91Å; F506-D508 VanDerWaalsContact C-N 3.28Å; F506-D508 PolarHBondContact O-N 3.41Å
509	F	97.7	Very high	95.7	Very high	125 Å²	125	64.9 Å²	64.9	55%	0.548	35%	0.354	S	S	.	.	H	α-helix	trans	-113.2	-27.2	-171.9	-74.9	-96.8	0	0	0	113.9	F366 W373 S504 T505 F506	F366-F509 HydrophobicContact CE1-CB 4.43Å; F366-F509 HydrophobicContact CZ-CB 4.16Å; W373-F509 HydrophobicContact CH2-CB 3.62Å; W373-F509 HydrophobicContact CH2-CD1 4.26Å; W373-F509 AromaticContact CH2-CD2 3.95Å; W373-F509 HydrophobicContact CH2-CD2 3.95Å; W373-F509 AromaticContact CH2-CG 3.68Å; W373-F509 HydrophobicContact CH2-CG 3.68Å; W373-F509 HydrophobicContact CZ3-CB 4Å; W373-F509 HydrophobicContact CZ3-CD2 4.07Å; W373-F509 HydrophobicContact CZ3-CG 4.17Å; S504-F509 WeakPolarHBondContact OG-CE2 3.46Å; T505-F509 WeakPolarHBondContact O-CD2 3.38Å; F506-F509 PolarHBondContact O-N 3.4Å
510	A	97.1	Very high	95.4	Very high	8 Å²	8	67 Å²	67	7%	0.066	36%	0.364	C	S	.	.			trans	-73.8	161.3	176.9	0	0	0	0	0	111.2	N331 A332 F366 F506	N331-A510 HydrophobicContact CB-CB 4.4Å; N331-A510 WeakPolarHBondContact CB-O 3.45Å; N331-A510 WeakPolarHBondContact O-CB 3.19Å; A332-A510 HydrophobicContact CB-CB 3.93Å; F366-A510 HydrophobicContact CB-CB 3.82Å; F366-A510 HydrophobicContact CD1-CB 4.22Å; F366-A510 HydrophobicContact CD2-CB 3.39Å; F366-A510 HydrophobicContact CE2-CB 3.95Å; F366-A510 HydrophobicContact CG-CB 3.54Å; F506-A510 WeakPolarHBondContact O-CB 3.33Å; F506-A510 PolarHBondContact O-N 2.9Å
511	S	95.6	Very high	95.2	Very high	105 Å²	105	60.9 Å²	60.9	73%	0.734	32%	0.321	S	S	*	.			trans	-145.1	138.6	167.2	64.1	0	0	0	0	108.8
512	L	95.8	Very high	94.7	Very high	26 Å²	26	65 Å²	65	14%	0.136	33%	0.33	C	S	.	.			trans	-125	132.1	175.4	-69.3	166.4	0	0	0	108.5	N331 M333 T365 E516 K517	N331-L512 WeakPolarHBondContact O-CD1 3.44Å; N331-L512 VanDerWaalsContact O-CG 3.31Å; N331-L512 WeakPolarHBondContact O-CG 3.24Å; M333-L512 HydrophobicContact CG-CD1 3.82Å; M333-L512 HydrophobicContact SD-CD1 3.79Å; T365-L512 HydrophobicContact CG2-CD2 4.15Å; L512-E516 HydrophobicContact CB-CB 4.32Å; L512-E516 HydrophobicContact CD2-CB 4.02Å; L512-K517 HydrophobicContact CB-CD 4.34Å; L512-K517 HydrophobicContact CB-CG 3.61Å; L512-K517 HydrophobicContact CD1-CG 4.2Å; L512-K517 WeakPolarHBondContact O-CE 3.48Å
513	K	94.3	Very high	94.2	Very high	86 Å²	86	58.3 Å²	58.3	37%	0.374	30%	0.302	S	S	.	.			trans	-61.6	150.8	169.2	-63.1	174.5	-173.9	168.6	0	109	T515 E516 K517	K513-T515 PolarHBondContact O-N 3.5Å; K513-E516 HydrophobicContact CB-CB 4.44Å; K513-E516 HydrophobicContact CB-CG 4.06Å; K513-E516 WeakPolarHBondContact CB-OE2 3.35Å; K513-E516 WeakPolarHBondContact CG-OE2 3.35Å; K513-E516 PolarHBondContact N-OE2 2.85Å; K513-E516 WeakPolarHBondContact O-CA 3.44Å; K513-E516 WeakPolarHBondContact O-CB 3.42Å; K513-E516 PolarHBondContact O-N 2.65Å; K513-K517 PolarHBondContact O-N 2.86Å
514	P	92.6	Very high	93.9	Very high	107 Å²	107	60.9 Å²	60.9	70%	0.695	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-36.6	178.2	-29.3	35.9	0	0	0	113.8	K517 I518	P514-K517 PolarHBondContact O-N 3.44Å; P514-I518 WeakPolarHBondContact O-CG1 3.28Å
515	T	90.1	Very high	93.3	Very high	64 Å²	64	64.5 Å²	64.5	39%	0.393	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-30.7	177	51.2	0	0	0	0	114.2	L19 K513 K517 I518	L19-T515 HydrophobicContact CD1-CG2 3.81Å; L19-T515 WeakPolarHBondContact CD1-OG1 3.33Å; L19-T515 HydrophobicContact CD2-CG2 3.74Å; L19-T515 HydrophobicContact CG-CG2 4.45Å; K513-T515 PolarHBondContact O-N 3.5Å; T515-K517 VanDerWaalsContact C-N 3.28Å; T515-I518 PolarHBondContact O-N 3.06Å
516	E	91.1	Very high	92.6	Very high	88 Å²	88	67.9 Å²	67.9	41%	0.411	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.5	177.5	-65.9	166.1	166.9	0	0	111.7	L512 K513 I518	L512-E516 HydrophobicContact CB-CB 4.32Å; L512-E516 HydrophobicContact CD2-CB 4.02Å; K513-E516 HydrophobicContact CB-CB 4.44Å; K513-E516 HydrophobicContact CB-CG 4.06Å; K513-E516 WeakPolarHBondContact CB-OE2 3.35Å; K513-E516 WeakPolarHBondContact CG-OE2 3.35Å; K513-E516 PolarHBondContact N-OE2 2.85Å; K513-E516 WeakPolarHBondContact O-CA 3.44Å; K513-E516 WeakPolarHBondContact O-CB 3.42Å; K513-E516 PolarHBondContact O-N 2.65Å; E516-I518 VanDerWaalsContact C-N 3.34Å
517	K	94.4	Very high	92	Very high	22 Å²	22	69.9 Å²	69.9	10%	0.096	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.6	175.3	-56.7	-173.5	-171.9	-163.7	0	113.2	L327 I330 M333 L512 K513 P514 T515	L327-K517 HydrophobicContact CB-CB 4.3Å; L327-K517 HydrophobicContact CB-CD 3.96Å; L327-K517 HydrophobicContact CD1-CB 3.78Å; L327-K517 WeakPolarHBondContact CD1-O 3.47Å; L327-K517 PolarHBondContact O-NZ 3.38Å; I330-K517 WeakPolarHBondContact O-CD 3.35Å; I330-K517 WeakPolarHBondContact O-CE 3.39Å; I330-K517 PolarHBondContact O-NZ 3.34Å; M333-K517 WeakPolarHBondContact CE-O 3.32Å; M333-K517 HydrophobicContact SD-CB 4.42Å; L512-K517 HydrophobicContact CB-CD 4.34Å; L512-K517 HydrophobicContact CB-CG 3.61Å; L512-K517 HydrophobicContact CD1-CG 4.2Å; L512-K517 WeakPolarHBondContact O-CE 3.48Å; K513-K517 PolarHBondContact O-N 2.86Å; P514-K517 PolarHBondContact O-N 3.44Å; T515-K517 VanDerWaalsContact C-N 3.28Å
518	I	93.6	Very high	91.4	Very high	67 Å²	67	73.3 Å²	73.3	34%	0.344	37%	0.37	S	S	.	.			trans	-87.1	117.2	-174	-61	169.5	0	0	0	110.1	Y322 P514 T515 E516 L520	Y322-I518 HydrophobicContact CD2-CG2 3.73Å; Y322-I518 HydrophobicContact CE2-CG2 4.35Å; Y322-I518 HydrophobicContact CG-CG2 4.27Å; P514-I518 WeakPolarHBondContact O-CG1 3.28Å; T515-I518 PolarHBondContact O-N 3.06Å; E516-I518 VanDerWaalsContact C-N 3.34Å; I518-L520 HydrophobicContact CG2-CD2 3.59Å; I518-L520 HydrophobicContact CG2-CG 3.85Å
519	I	93.2	Very high	90.6	Very high	25 Å²	25	72.8 Å²	72.8	13%	0.128	37%	0.367	C	S	.	.			trans	-93.1	104.7	166.9	-61.9	171.9	0	0	0	108.1	M333 I345 S346	M333-I519 HydrophobicContact CE-CD1 3.52Å; M333-I519 HydrophobicContact CE-CG1 3.8Å; I345-I519 HydrophobicContact CB-CD1 4.13Å; I345-I519 HydrophobicContact CG2-CD1 3.48Å; I345-I519 VanDerWaalsContact CG2-CD1 3.48Å; S346-I519 WeakPolarHBondContact O-CD1 3.21Å
520	L	91.5	Very high	89.6	Confident	57 Å²	57	75.4 Å²	75.4	30%	0.298	38%	0.378	S	S	.	.			trans	-81.4	140.3	-178.8	-70.2	175	0	0	0	111.8	Y322 I518 R525 L528	Y322-L520 HydrophobicContact CD2-CD2 4.29Å; Y322-L520 HydrophobicContact CE1-CD2 4.28Å; Y322-L520 HydrophobicContact CE2-CD2 3.95Å; I518-L520 HydrophobicContact CG2-CD2 3.59Å; I518-L520 HydrophobicContact CG2-CG 3.85Å; L520-R525 HydrophobicContact CB-CB 4.33Å; L520-L528 HydrophobicContact CD1-CD1 3.45Å; L520-L528 VanDerWaalsContact CD1-CD1 3.45Å
521	P	91.9	Very high	88.4	Confident	5 Å²	5	82 Å²	82	3%	0.032	41%	0.408	C	S	.	.			trans	-56.2	146.7	168	-25	34.3	0	0	0	112.2	D310 N311 F320 Y322 H523 R524 R525	D310-P521 HydrophobicContact CB-CG 4.16Å; D310-P521 VanDerWaalsContact O-CB 3.26Å; D310-P521 WeakPolarHBondContact O-CB 3.29Å; N311-P521 VanDerWaalsContact OD1-CA 3.26Å; N311-P521 WeakPolarHBondContact OD1-CA 3.45Å; N311-P521 WeakPolarHBondContact OD1-CB 3.26Å; F320-P521 HydrophobicContact CD1-CG 4.11Å; Y322-P521 VanDerWaalsContact CD1-CD 3.5Å; Y322-P521 HydrophobicContact CD1-CG 3.99Å; Y322-P521 HydrophobicContact CE1-CG 3.97Å; P521-H523 VanDerWaalsContact C-N 3.3Å; P521-H523 PolarHBondContact O-N 3.31Å; P521-R524 HydrophobicContact CB-CG 4.47Å; P521-R524 WeakPolarHBondContact O-CB 3.42Å; P521-R524 PolarHBondContact O-N 3.32Å; P521-R525 PolarHBondContact O-N 3.37Å
522	R	85.1	Confident	87.1	Confident	146 Å²	146	81.4 Å²	81.4	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-53.5	-45.2	-172.8	-174.4	178.7	-178.6	155.6	7.3	112.4	N311 E341 R524 R525 L526	N311-R522 PolarHBondContact OD1-N 2.6Å; E341-R522 IonicContact OE1-CZ 3.48Å; E341-R522 IonicContact OE1-NH1 3.51Å; E341-R522 PolarHBondContact OE1-NH1 2.88Å; E341-R522 VanDerWaalsContact OE1-NH1 3.13Å; E341-R522 IonicContact OE1-NH2 3.43Å; E341-R522 PolarHBondContact OE1-NH2 3.17Å; R522-R524 PolarHBondContact O-N 3.2Å; R522-R525 PolarHBondContact O-N 3.46Å; R522-L526 HydrophobicContact CG-CD1 3.99Å; R522-L526 HydrophobicContact CG-CG 4.41Å; R522-L526 WeakPolarHBondContact O-CB 3.47Å; R522-L526 VanDerWaalsContact O-CG 3.27Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 3.14Å
523	H	87.7	Confident	85.2	Confident	61 Å²	61	85 Å²	85	28%	0.282	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-35.1	-178.7	73.5	-84.3	0	0	0	112.8	D310 F320 P521 A527	D310-H523 PolarHBondContact O-CE1 3.16Å; F320-H523 AromaticContact CE1-CE1 3.73Å; F320-H523 AromaticContact CZ-CE1 3.89Å; F320-H523 AromaticContact CZ-NE2 3.72Å; P521-H523 VanDerWaalsContact C-N 3.3Å; P521-H523 PolarHBondContact O-N 3.31Å; H523-A527 WeakPolarHBondContact O-CB 3.47Å; H523-A527 PolarHBondContact O-N 3.47Å
524	R	90.7	Very high	83.6	Confident	112 Å²	112	85.5 Å²	85.5	42%	0.423	43%	0.432	S	S	.	.	H	α-helix	trans	-70.3	-45.2	173.9	-68.7	-60.1	-173.5	146.6	-5.8	111.4	F320 P521 R522 L526 A527 L528	F320-R524 VanDerWaalsContact CE2-NH2 3.33Å; P521-R524 HydrophobicContact CB-CG 4.47Å; P521-R524 WeakPolarHBondContact O-CB 3.42Å; P521-R524 PolarHBondContact O-N 3.32Å; R522-R524 PolarHBondContact O-N 3.2Å; R524-L526 VanDerWaalsContact C-N 3.32Å; R524-L526 PolarHBondContact O-N 3.44Å; R524-A527 PolarHBondContact O-N 2.82Å; R524-L528 WeakPolarHBondContact O-CG 3.32Å; R524-L528 PolarHBondContact O-N 2.96Å
525	R	86.1	Confident	82.3	Confident	108 Å²	108	90 Å²	90	41%	0.408	44%	0.435	S	S	.	.	H	α-helix	trans	-56.5	-47.4	174.5	-175.5	178.4	179.2	156.9	6.8	110.9	S336 N337 L520 P521 R522 L528 L529	S336-R525 PolarHBondContact O-NH1 3.39Å; N337-R525 PolarHBondContact OD1-NH2 3.3Å; L520-R525 HydrophobicContact CB-CB 4.33Å; P521-R525 PolarHBondContact O-N 3.37Å; R522-R525 PolarHBondContact O-N 3.46Å; R525-L528 PolarHBondContact O-N 3.38Å; R525-L529 HydrophobicContact CG-CD1 4.28Å; R525-L529 WeakPolarHBondContact O-CG 3.22Å; R525-L529 PolarHBondContact O-N 3.2Å
526	L	84.2	Confident	81.2	Confident	83 Å²	83	95 Å²	95	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176.6	-72.1	171.9	0	0	0	112.5	R522 R524 L529 K530	R522-L526 HydrophobicContact CG-CD1 3.99Å; R522-L526 HydrophobicContact CG-CG 4.41Å; R522-L526 WeakPolarHBondContact O-CB 3.47Å; R522-L526 VanDerWaalsContact O-CG 3.27Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 3.14Å; R524-L526 VanDerWaalsContact C-N 3.32Å; R524-L526 PolarHBondContact O-N 3.44Å; L526-L529 PolarHBondContact O-N 3.21Å; L526-K530 WeakPolarHBondContact O-CG 3.23Å; L526-K530 PolarHBondContact O-N 3.4Å
527	A	86.1	Confident	80.7	Confident	41 Å²	41	96.2 Å²	96.2	34%	0.339	47%	0.469	S	S	.	.	H	α-helix	trans	-63.5	-42.1	176.5	0	0	0	0	0	112.1	H523 R524 K530 Q531	H523-A527 WeakPolarHBondContact O-CB 3.47Å; H523-A527 PolarHBondContact O-N 3.47Å; R524-A527 PolarHBondContact O-N 2.82Å; A527-K530 PolarHBondContact O-N 3.11Å; A527-Q531 WeakPolarHBondContact O-CG 3.31Å; A527-Q531 PolarHBondContact O-N 3.19Å
528	L	84.3	Confident	80.3	Confident	88 Å²	88	96 Å²	96	46%	0.461	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-45	174.4	-69.6	174.8	0	0	0	111.5	L520 R524 R525 K530 Q531 V532	L520-L528 HydrophobicContact CD1-CD1 3.45Å; L520-L528 VanDerWaalsContact CD1-CD1 3.45Å; R524-L528 WeakPolarHBondContact O-CG 3.32Å; R524-L528 PolarHBondContact O-N 2.96Å; R525-L528 PolarHBondContact O-N 3.38Å; L528-K530 VanDerWaalsContact C-N 3.28Å; L528-K530 PolarHBondContact O-N 2.91Å; L528-Q531 WeakPolarHBondContact O-CB 3.46Å; L528-Q531 PolarHBondContact O-N 3.17Å; L528-V532 PolarHBondContact O-N 2.89Å
529	L	79.6	Confident	80	Confident	105 Å²	105	92.8 Å²	92.8	55%	0.55	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-37.7	176.6	-72.5	170.8	0	0	0	112.2	R525 L526 Q531 V532	R525-L529 HydrophobicContact CG-CD1 4.28Å; R525-L529 WeakPolarHBondContact O-CG 3.22Å; R525-L529 PolarHBondContact O-N 3.2Å; L526-L529 PolarHBondContact O-N 3.21Å; L529-Q531 VanDerWaalsContact C-N 3.27Å; L529-Q531 PolarHBondContact O-N 3.36Å; L529-V532 PolarHBondContact O-N 3.06Å
530	K	76.6	Confident	79.6	Confident	180 Å²	180	96 Å²	96	78%	0.783	47%	0.474	S	S	*	.	H	α-helix	trans	-66.7	-26	174.4	-74.5	177.3	-179.8	-174.8	0	113.5	L526 A527 L528	L526-K530 WeakPolarHBondContact O-CG 3.23Å; L526-K530 PolarHBondContact O-N 3.4Å; A527-K530 PolarHBondContact O-N 3.11Å; L528-K530 VanDerWaalsContact C-N 3.28Å; L528-K530 PolarHBondContact O-N 2.91Å
531	Q	73.2	Confident	79.1	Confident	147 Å²	147	94 Å²	94	69%	0.687	46%	0.464	S	S	*	.	H	α-helix	trans	-82.5	-15.7	177.4	-69.9	171.5	9.9	0	0	112.7	A527 L528 L529 S533	A527-Q531 WeakPolarHBondContact O-CG 3.31Å; A527-Q531 PolarHBondContact O-N 3.19Å; L528-Q531 WeakPolarHBondContact O-CB 3.46Å; L528-Q531 PolarHBondContact O-N 3.17Å; L529-Q531 VanDerWaalsContact C-N 3.27Å; L529-Q531 PolarHBondContact O-N 3.36Å; Q531-S533 PolarHBondContact O-N 3.42Å
532	V	66.6	Low	78.7	Confident	91 Å²	91	93.9 Å²	93.9	55%	0.552	46%	0.463	S	S	*	.			trans	-72.1	101.5	172.5	-177.6	0	0	0	0	108.2	L528 L529 I534	L528-V532 PolarHBondContact O-N 2.89Å; L529-V532 PolarHBondContact O-N 3.06Å; V532-I534 PolarHBondContact O-N 3.4Å
533	S	57.6	Low	78.5	Confident	103 Å²	103	89.7 Å²	89.7	72%	0.72	46%	0.456	S	S	*	.			trans	-67.6	101.3	165.9	65.1	0	0	0	0	108.1	Q531 R535	Q531-S533 PolarHBondContact O-N 3.42Å; S533-R535 PolarHBondContact O-N 2.82Å
534	I	60.6	Low	78	Confident	96 Å²	96	89.8 Å²	89.8	49%	0.492	46%	0.458	S	S	.	.			trans	-61.6	120.8	164	-59.3	173	0	0	0	105.2	V532 D536 C538 C543	V532-I534 PolarHBondContact O-N 3.4Å; I534-D536 PolarHBondContact O-N 3.44Å; I534-C538 HydrophobicContact CG2-CB 3.62Å; I534-C543 HydrophobicContact CD1-CB 4.38Å
535	R	63.6	Low	77.7	Confident	201 Å²	201	87.6 Å²	87.6	76%	0.758	46%	0.457	S	S	*	.			trans	-61.1	137.8	175.1	-57.3	177	-178.4	175.5	0.8	106.9	S533 N537 C538	S533-R535 PolarHBondContact O-N 2.82Å; R535-N537 PolarHBondContact O-N 3.31Å; R535-C538 PolarHBondContact N-SG 2.81Å; R535-C538 VanDerWaalsContact N-SG 3.37Å; R535-C538 WeakPolarHBondContact O-CB 3.33Å; R535-C538 PolarHBondContact O-N 3.18Å; R535-C538 PolarHBondContact O-SG 3.34Å
536	D	68.2	Low	77.7	Confident	168 Å²	168	87 Å²	87	90%	0.898	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.1	-175.7	-66.3	-36.6	0	0	0	113.8	I534	I534-D536 PolarHBondContact O-N 3.44Å
537	N	80.8	Confident	78	Confident	114 Å²	114	84.3 Å²	84.3	61%	0.61	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	10.1	-179.4	-58.7	0.5	0	0	0	113.7	R535 M546 A547	R535-N537 PolarHBondContact O-N 3.31Å; N537-M546 HydrophobicContact CB-CG 4.31Å; N537-M546 CarbonylContact O-C 3.53Å; N537-M546 VanDerWaalsContact O-CA 3.28Å; N537-M546 WeakPolarHBondContact O-CA 3.45Å; N537-M546 WeakPolarHBondContact O-CG 3.1Å; N537-A547 PolarHBondContact O-N 3.02Å
538	C	86.1	Confident	78.3	Confident	18 Å²	18	83.3 Å²	83.3	12%	0.122	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-68.3	150.7	174.9	-66.5	0	0	0	0	111.4	I534 R535 T540 V545	I534-C538 HydrophobicContact CG2-CB 3.62Å; R535-C538 PolarHBondContact N-SG 2.81Å; R535-C538 VanDerWaalsContact N-SG 3.37Å; R535-C538 WeakPolarHBondContact O-CB 3.33Å; R535-C538 PolarHBondContact O-N 3.18Å; R535-C538 PolarHBondContact O-SG 3.34Å; C538-T540 PolarHBondContact O-N 2.88Å; C538-V545 CarbonylContact C-O 3.58Å
539	C	86.7	Confident	78.7	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.417	C	S	.	.			trans	-58	129.8	166.4	168.9	0	0	0	0	110	L541 C542 C543 V545 M559 C560 C563	C539-L541 PolarHBondContact O-N 3.06Å; C539-L541 PolarHBondContact SG-N 2.73Å; C539-C542 WeakPolarHBondContact CB-SG 3.47Å; C539-C542 PolarHBondContact SG-N 3.37Å; C539-C542 VanDerWaalsContact SG-N 3.44Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å; C539-C543 WeakPolarHBondContact O-CA 3.41Å; C539-C543 PolarHBondContact O-N 3.48Å; C539-V545 VanDerWaalsContact CB-O 3.3Å; C539-V545 WeakPolarHBondContact CB-O 3.38Å; C539-V545 PolarHBondContact N-O 3.16Å; C539-M559 VanDerWaalsContact SG-CA 3.55Å; C539-C560 HydrophobicContact CB-CB 3.82Å; C539-C560 VanDerWaalsContact CB-N 3.31Å; C539-C560 PolarHBondContact SG-N 3Å; C539-C563 PolarHBondContact SG-SG 3.16Å
540	T	84.3	Confident	79.5	Confident	92 Å²	92	76.1 Å²	76.1	56%	0.564	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.7	179.7	53.8	0	0	0	0	114.1	C538 G558	C538-T540 PolarHBondContact O-N 2.88Å; T540-G558 WeakPolarHBondContact CB-O 3.45Å; T540-G558 WeakPolarHBondContact CG2-O 3.28Å; T540-G558 PolarHBondContact N-O 2.77Å; T540-G558 PolarHBondContact OG1-O 2.95Å
541	L	81.9	Confident	80.4	Confident	15 Å²	15	67.5 Å²	67.5	8%	0.079	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-61.6	174	-59.3	-163.2	0	0	0	111.5	V3 I7 C539 C543 M559 C563 L567	V3-L541 HydrophobicContact CG1-CD1 3.95Å; V3-L541 HydrophobicContact CG1-CD2 3.41Å; V3-L541 VanDerWaalsContact CG1-CD2 3.41Å; V3-L541 HydrophobicContact CG1-CG 4.23Å; I7-L541 WeakPolarHBondContact CG1-O 3.4Å; C539-L541 PolarHBondContact O-N 3.06Å; C539-L541 PolarHBondContact SG-N 2.73Å; L541-C543 VanDerWaalsContact C-N 3.31Å; L541-C543 PolarHBondContact O-N 3.16Å; L541-M559 HydrophobicContact CD1-CE 3.15Å; L541-M559 HydrophobicContact CD2-CE 3.99Å; L541-M559 HydrophobicContact CG-CE 3.39Å; L541-C563 HydrophobicContact CB-CB 4.08Å; L541-C563 HydrophobicContact CD1-CB 4.08Å; L541-C563 HydrophobicContact CG-CB 4.46Å; L541-L567 HydrophobicContact CD1-CD1 3.88Å; L541-L567 HydrophobicContact CD1-CD2 4.2Å; L541-L567 HydrophobicContact CD1-CG 4.46Å
542	C	83.6	Confident	81.4	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.02	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.7	-176.8	64.1	0	0	0	0	114	C10 C539 D544 C560 C563	C10-C542 HydrophobicContact CB-CB 3.34Å; C10-C542 WeakPolarHBondContact SG-CB 3.37Å; C539-C542 WeakPolarHBondContact CB-SG 3.47Å; C539-C542 PolarHBondContact SG-N 3.37Å; C539-C542 VanDerWaalsContact SG-N 3.44Å; C539-C542 VanDerWaalsContact SG-SG 3.69Å; C542-D544 HydrophobicContact CB-CB 4.14Å; C542-D544 PolarHBondContact O-N 2.88Å; C542-C560 VanDerWaalsContact SG-SG 3.68Å; C542-C563 VanDerWaalsContact CB-SG 3.54Å
543	C	79.4	Confident	82.5	Confident	57 Å²	57	65.1 Å²	65.1	39%	0.385	35%	0.346	S	S	.	.	S	Bend	trans	51.9	20.4	-172.3	-59.7	0	0	0	0	114.2	I534 C539 L541	I534-C543 HydrophobicContact CD1-CB 4.38Å; C539-C543 WeakPolarHBondContact O-CA 3.41Å; C539-C543 PolarHBondContact O-N 3.48Å; L541-C543 VanDerWaalsContact C-N 3.31Å; L541-C543 PolarHBondContact O-N 3.16Å
544	D	78.8	Confident	84.3	Confident	64 Å²	64	61.6 Å²	61.6	34%	0.342	32%	0.321	S	S	.	.	S	Bend	trans	-118.1	-65.9	-168.6	176.8	35.7	0	0	0	110.7	S14 C542	S14-D544 WeakPolarHBondContact CB-OD1 3.23Å; S14-D544 VanDerWaalsContact OG-CB 3.24Å; S14-D544 WeakPolarHBondContact OG-CB 3.49Å; S14-D544 PolarHBondContact OG-OD1 3.17Å; S14-D544 PolarHBondContact OG-OD2 2.78Å; C542-D544 HydrophobicContact CB-CB 4.14Å; C542-D544 PolarHBondContact O-N 2.88Å
545	V	83.2	Confident	85.8	Confident	65 Å²	65	59 Å²	59	39%	0.394	32%	0.317	S	S	.	.	S	Bend	trans	-90.3	154	-175.8	-169.4	0	0	0	0	110	C538 C539 A547 C560	C538-V545 CarbonylContact C-O 3.58Å; C539-V545 VanDerWaalsContact CB-O 3.3Å; C539-V545 WeakPolarHBondContact CB-O 3.38Å; C539-V545 PolarHBondContact N-O 3.16Å; V545-A547 PolarHBondContact O-N 3.42Å; V545-C560 HydrophobicContact CB-CB 4.09Å; V545-C560 HydrophobicContact CG1-CB 4.31Å
546	M	86.3	Confident	87.2	Confident	95 Å²	95	52.6 Å²	52.6	47%	0.468	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-54.4	138.2	175.2	-169	175.7	75.2	0	0	111.8	N537 D548 C560	N537-M546 HydrophobicContact CB-CG 4.31Å; N537-M546 CarbonylContact O-C 3.53Å; N537-M546 VanDerWaalsContact O-CA 3.28Å; N537-M546 WeakPolarHBondContact O-CA 3.45Å; N537-M546 WeakPolarHBondContact O-CG 3.1Å; M546-D548 HydrophobicContact CE-CB 4.14Å; M546-D548 PolarHBondContact O-N 3.22Å; M546-C560 WeakPolarHBondContact O-CB 3.31Å
547	A	90.6	Very high	88.3	Confident	27 Å²	27	45.9 Å²	45.9	22%	0.223	27%	0.267	C	S	.	.			trans	-67.6	95	169.1	0	0	0	0	0	109.7	N537 V545 M559	N537-A547 PolarHBondContact O-N 3.02Å; V545-A547 PolarHBondContact O-N 3.42Å; A547-M559 CarbonylContact C-O 3.44Å; A547-M559 WeakPolarHBondContact CA-O 3.33Å
548	D	92.6	Very high	88.6	Confident	20 Å²	20	41.9 Å²	41.9	11%	0.107	25%	0.252	C	S	.	.			trans	-115.9	12.4	-172.9	74.7	-15.5	0	0	0	113.1	M546 M559 C560 M561 R582 L583	M546-D548 HydrophobicContact CE-CB 4.14Å; M546-D548 PolarHBondContact O-N 3.22Å; D548-M559 PolarHBondContact N-O 3.4Å; D548-C560 VanDerWaalsContact OD1-CA 3.23Å; D548-C560 WeakPolarHBondContact OD1-CA 3.43Å; D548-M561 PolarHBondContact OD1-N 3.25Å; D548-R582 HydrophobicContact CB-CG 4.42Å; D548-R582 CarbonylContact O-C 3.07Å; D548-R582 VanDerWaalsContact O-CA 3.24Å; D548-R582 WeakPolarHBondContact O-CA 3.15Å; D548-R582 IonicContact OD2-CZ 3.51Å; D548-R582 IonicContact OD2-NE 2.77Å; D548-R582 PolarHBondContact OD2-NE 2.86Å; D548-R582 IonicContact OD2-NH2 2.72Å; D548-R582 PolarHBondContact OD2-NH2 3.23Å; D548-L583 PolarHBondContact O-N 3.07Å
549	T	93.3	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.2	-171.5	-59.6	0	0	0	0	113	G557 M559 M561 A564 R580 V581	T549-G557 WeakPolarHBondContact O-CA 3.37Å; T549-M559 WeakPolarHBondContact CB-O 3.3Å; T549-M559 PolarHBondContact N-O 2.98Å; T549-M561 HydrophobicContact CG2-CE 3.9Å; T549-M561 HydrophobicContact CG2-SD 4.14Å; T549-M561 WeakPolarHBondContact OG1-CA 3.37Å; T549-M561 WeakPolarHBondContact OG1-CB 3.49Å; T549-M561 PolarHBondContact OG1-N 3.3Å; T549-A564 HydrophobicContact CG2-CB 3.58Å; T549-R580 HydrophobicContact CG2-CB 4.02Å; T549-V581 CarbonylContact C-O 3.6Å; T549-V581 WeakPolarHBondContact CA-O 3.37Å
550	E	94.9	Very high	89.1	Confident	42 Å²	42	41.3 Å²	41.3	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.6	171.9	-177.9	-174.2	103.3	0	0	110.2	R552 R580 V581 L583	E550-R552 IonicContact OE1-CZ 3.26Å; E550-R552 VanDerWaalsContact OE1-CZ 3.26Å; E550-R552 IonicContact OE1-NE 2.83Å; E550-R552 PolarHBondContact OE1-NE 3.19Å; E550-R552 IonicContact OE1-NH2 2.85Å; E550-R552 PolarHBondContact OE1-NH2 2.87Å; E550-R580 WeakPolarHBondContact O-CA 3.29Å; E550-V581 PolarHBondContact N-O 3.22Å; E550-V581 PolarHBondContact O-N 3.4Å; E550-L583 HydrophobicContact CB-CD1 4.26Å; E550-L583 HydrophobicContact CB-CD2 4.12Å; E550-L583 HydrophobicContact CB-CG 4.19Å
551	L	95.5	Very high	89.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.3	176.9	-57.2	-177.6	0	0	0	110.8	C554 G555 H556 M559 A564 C570 I577 R580	L551-C554 PolarHBondContact O-SG 3.09Å; L551-G555 WeakPolarHBondContact O-CA 3.39Å; L551-G555 PolarHBondContact O-N 2.65Å; L551-H556 WeakPolarHBondContact CB-O 3.23Å; L551-H556 PolarHBondContact N-O 3.34Å; L551-M559 HydrophobicContact CD1-SD 3.6Å; L551-M559 VanDerWaalsContact CD1-SD 3.6Å; L551-M559 HydrophobicContact CG-SD 4.2Å; L551-A564 HydrophobicContact CD2-CB 3.86Å; L551-C570 HydrophobicContact CD1-CB 4.06Å; L551-I577 HydrophobicContact CB-CG1 4.46Å; L551-I577 HydrophobicContact CB-CG2 4.45Å; L551-I577 HydrophobicContact CD1-CD1 3.73Å; L551-I577 HydrophobicContact CD1-CG1 4.14Å; L551-I577 HydrophobicContact CD2-CD1 4.04Å; L551-I577 HydrophobicContact CD2-CG1 4.46Å; L551-I577 HydrophobicContact CD2-CG2 4.05Å; L551-I577 HydrophobicContact CG-CD1 4.4Å; L551-R580 HydrophobicContact CD2-CG 3.86Å
552	R	94.1	Very high	89.9	Confident	121 Å²	121	42 Å²	42	46%	0.457	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.5	179.2	-70.7	-170.2	176.3	-144.7	-5.1	112.3	E550 Q578 T579 V581	E550-R552 IonicContact OE1-CZ 3.26Å; E550-R552 VanDerWaalsContact OE1-CZ 3.26Å; E550-R552 IonicContact OE1-NE 2.83Å; E550-R552 PolarHBondContact OE1-NE 3.19Å; E550-R552 IonicContact OE1-NH2 2.85Å; E550-R552 PolarHBondContact OE1-NH2 2.87Å; R552-Q578 PolarHBondContact O-N 3.45Å; R552-T579 VanDerWaalsContact CB-OG1 3.29Å; R552-T579 WeakPolarHBondContact CB-OG1 3.36Å; R552-T579 PolarHBondContact N-O 3.48Å; R552-T579 PolarHBondContact O-N 3.28Å; R552-V581 HydrophobicContact CG-CG2 4.45Å
553	P	91.4	Very high	90.3	Very high	67 Å²	67	41.8 Å²	41.8	44%	0.435	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.1	-5.4	12	35	-38.4	0	0	0	115.8	G555	P553-G555 VanDerWaalsContact C-N 3.26Å; P553-G555 PolarHBondContact O-N 3.33Å
554	C	94.2	Very high	90.8	Very high	29 Å²	29	39.1 Å²	39.1	20%	0.196	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.7	-172.1	56.7	0	0	0	0	115.9	L551 H556 C573	L551-C554 PolarHBondContact O-SG 3.09Å; C554-H556 PolarHBondContact O-N 3.47Å; C554-C573 VanDerWaalsContact CB-SG 3.51Å
555	G	92.1	Very high	91.4	Very high	40 Å²	40	41 Å²	41	41%	0.412	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	4.2	-178.5	0	0	0	0	0	114.9	L551 P553	L551-G555 WeakPolarHBondContact O-CA 3.39Å; L551-G555 PolarHBondContact O-N 2.65Å; P553-G555 VanDerWaalsContact C-N 3.26Å; P553-G555 PolarHBondContact O-N 3.33Å
556	H	93.4	Very high	91.8	Very high	68 Å²	68	42.4 Å²	42.4	32%	0.315	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.8	179.5	-77.8	129.7	0	0	0	112	L551 C554 C570 L572 C573	L551-H556 WeakPolarHBondContact CB-O 3.23Å; L551-H556 PolarHBondContact N-O 3.34Å; C554-H556 PolarHBondContact O-N 3.47Å; H556-C570 PolarHBondContact ND1-SG 3.01Å; H556-L572 HydrophobicContact CB-CD1 3.95Å; H556-C573 PolarHBondContact ND1-SG 3.19Å; H556-C573 VanDerWaalsContact ND1-SG 3.45Å
557	G	90.3	Very high	91.8	Very high	27 Å²	27	38.5 Å²	38.5	28%	0.278	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-151.7	175.1	0	0	0	0	0	113.1	T549	T549-G557 WeakPolarHBondContact O-CA 3.37Å
558	G	87.4	Confident	91.8	Very high	29 Å²	29	44.9 Å²	44.9	30%	0.299	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86	17.9	179.3	0	0	0	0	0	113.8	T540	T540-G558 WeakPolarHBondContact CB-O 3.45Å; T540-G558 WeakPolarHBondContact CG2-O 3.28Å; T540-G558 PolarHBondContact N-O 2.77Å; T540-G558 PolarHBondContact OG1-O 2.95Å
559	M	90.9	Very high	91.8	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.6	-174.6	-46.3	178.8	90.1	0	0	110.1	C539 L541 A547 D548 T549 L551 L567 P571	C539-M559 VanDerWaalsContact SG-CA 3.55Å; L541-M559 HydrophobicContact CD1-CE 3.15Å; L541-M559 HydrophobicContact CD2-CE 3.99Å; L541-M559 HydrophobicContact CG-CE 3.39Å; A547-M559 CarbonylContact C-O 3.44Å; A547-M559 WeakPolarHBondContact CA-O 3.33Å; D548-M559 PolarHBondContact N-O 3.4Å; T549-M559 WeakPolarHBondContact CB-O 3.3Å; T549-M559 PolarHBondContact N-O 2.98Å; L551-M559 HydrophobicContact CD1-SD 3.6Å; L551-M559 VanDerWaalsContact CD1-SD 3.6Å; L551-M559 HydrophobicContact CG-SD 4.2Å; M559-L567 HydrophobicContact CE-CD1 3.14Å; M559-L567 HydrophobicContact SD-CD1 3.96Å; M559-P571 HydrophobicContact CE-CG 3.59Å; M559-P571 HydrophobicContact SD-CG 4.08Å
560	C	92.4	Very high	91.7	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.027	26%	0.262	C	S	.	.			trans	-80.8	160.1	169.3	76.3	0	0	0	0	110	C539 C542 V545 M546 D548 D562 C563 A564	C539-C560 HydrophobicContact CB-CB 3.82Å; C539-C560 VanDerWaalsContact CB-N 3.31Å; C539-C560 PolarHBondContact SG-N 3Å; C542-C560 VanDerWaalsContact SG-SG 3.68Å; V545-C560 HydrophobicContact CB-CB 4.09Å; V545-C560 HydrophobicContact CG1-CB 4.31Å; M546-C560 WeakPolarHBondContact O-CB 3.31Å; D548-C560 VanDerWaalsContact OD1-CA 3.23Å; D548-C560 WeakPolarHBondContact OD1-CA 3.43Å; C560-D562 VanDerWaalsContact C-N 3.31Å; C560-D562 PolarHBondContact O-N 2.89Å; C560-C563 WeakPolarHBondContact O-CB 3.4Å; C560-C563 PolarHBondContact O-N 3.48Å; C560-C563 PolarHBondContact SG-N 2.88Å; C560-C563 PolarHBondContact SG-SG 3.14Å; C560-A564 WeakPolarHBondContact O-CB 3.32Å; C560-A564 PolarHBondContact O-N 2.87Å
561	M	93	Very high	91.3	Very high	28 Å²	28	48 Å²	48	14%	0.138	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-42.3	-177.9	-175.6	57.2	72.5	0	0	112.9	D548 T549 C563 A564 L565 R580 R582	D548-M561 PolarHBondContact OD1-N 3.25Å; T549-M561 HydrophobicContact CG2-CE 3.9Å; T549-M561 HydrophobicContact CG2-SD 4.14Å; T549-M561 WeakPolarHBondContact OG1-CA 3.37Å; T549-M561 WeakPolarHBondContact OG1-CB 3.49Å; T549-M561 PolarHBondContact OG1-N 3.3Å; M561-C563 VanDerWaalsContact C-N 3.33Å; M561-C563 PolarHBondContact O-N 3.48Å; M561-A564 PolarHBondContact O-N 3.36Å; M561-A564 VanDerWaalsContact O-N 3.17Å; M561-L565 HydrophobicContact CG-CD1 4.08Å; M561-L565 HydrophobicContact CG-CG 4.41Å; M561-L565 WeakPolarHBondContact O-CG 3.42Å; M561-L565 PolarHBondContact O-N 2.85Å; M561-L565 HydrophobicContact SD-CD1 4.38Å; M561-L565 HydrophobicContact SD-CG 4.15Å; M561-R580 HydrophobicContact SD-CB 4.12Å; M561-R582 VanDerWaalsContact CB-NH2 3.26Å; M561-R582 HydrophobicContact CE-CB 3.61Å
562	D	90.8	Very high	90.9	Very high	92 Å²	92	53.5 Å²	53.5	49%	0.492	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-40.9	-177.6	-59.6	-24.8	0	0	0	111.1	W6 C560 Q566	W6-D562 HydrophobicContact CH2-CB 3.82Å; C560-D562 VanDerWaalsContact C-N 3.31Å; C560-D562 PolarHBondContact O-N 2.89Å; D562-Q566 WeakPolarHBondContact O-CG 3.49Å
563	C	91.1	Very high	90.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-45.2	172.4	-74.9	0	0	0	0	111.7	W6 C539 L541 C542 C560 M561 L565 Q566 L567	W6-C563 HydrophobicContact CE3-CB 4.44Å; W6-C563 VanDerWaalsContact CE3-SG 3.58Å; W6-C563 HydrophobicContact CZ3-CB 4.08Å; W6-C563 WeakPolarHBondContact CZ3-SG 3.34Å; C539-C563 PolarHBondContact SG-SG 3.16Å; L541-C563 HydrophobicContact CB-CB 4.08Å; L541-C563 HydrophobicContact CD1-CB 4.08Å; L541-C563 HydrophobicContact CG-CB 4.46Å; C542-C563 VanDerWaalsContact CB-SG 3.54Å; C560-C563 WeakPolarHBondContact O-CB 3.4Å; C560-C563 PolarHBondContact O-N 3.48Å; C560-C563 PolarHBondContact SG-N 2.88Å; C560-C563 PolarHBondContact SG-SG 3.14Å; M561-C563 VanDerWaalsContact C-N 3.33Å; M561-C563 PolarHBondContact O-N 3.48Å; C563-L565 VanDerWaalsContact C-N 3.29Å; C563-L565 PolarHBondContact O-N 3.38Å; C563-Q566 PolarHBondContact O-N 2.87Å; C563-L567 WeakPolarHBondContact O-CG 3.24Å
564	A	91.1	Very high	90.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-35.5	-176.8	0	0	0	0	0	112.3	T549 L551 C560 M561 Q566 L567 R580	T549-A564 HydrophobicContact CG2-CB 3.58Å; L551-A564 HydrophobicContact CD2-CB 3.86Å; C560-A564 WeakPolarHBondContact O-CB 3.32Å; C560-A564 PolarHBondContact O-N 2.87Å; M561-A564 PolarHBondContact O-N 3.36Å; M561-A564 VanDerWaalsContact O-N 3.17Å; A564-Q566 PolarHBondContact O-N 2.73Å; A564-L567 PolarHBondContact O-N 2.87Å; A564-R580 HydrophobicContact CB-CG 4.24Å; A564-R580 VanDerWaalsContact O-CD 3.32Å; A564-R580 WeakPolarHBondContact O-CD 3.39Å; A564-R580 PolarHBondContact O-NE 2.92Å
565	L	91.7	Very high	90.7	Very high	103 Å²	103	60.4 Å²	60.4	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-22.5	178.5	-75.1	168.6	0	0	0	113.5	M561 C563 L567	M561-L565 HydrophobicContact CG-CD1 4.08Å; M561-L565 HydrophobicContact CG-CG 4.41Å; M561-L565 WeakPolarHBondContact O-CG 3.42Å; M561-L565 PolarHBondContact O-N 2.85Å; M561-L565 HydrophobicContact SD-CD1 4.38Å; M561-L565 HydrophobicContact SD-CG 4.15Å; C563-L565 VanDerWaalsContact C-N 3.29Å; C563-L565 PolarHBondContact O-N 3.38Å; L565-L567 VanDerWaalsContact C-N 3.28Å; L565-L567 PolarHBondContact O-N 3.05Å
566	Q	89.8	Confident	90.9	Very high	96 Å²	96	65.3 Å²	65.3	45%	0.449	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.8	-179.6	-58.5	-65.7	-34.5	0	0	113.6	W6 D562 C563 A564	W6-Q566 HydrophobicContact CD2-CG 4.22Å; W6-Q566 HydrophobicContact CH2-CG 4.39Å; W6-Q566 HydrophobicContact CZ2-CG 3.64Å; D562-Q566 WeakPolarHBondContact O-CG 3.49Å; C563-Q566 PolarHBondContact O-N 2.87Å; A564-Q566 PolarHBondContact O-N 2.73Å
567	L	87.7	Confident	90.9	Very high	13 Å²	13	62.7 Å²	62.7	7%	0.068	32%	0.324	C	S	.	.			trans	-112.9	129.4	-172.2	-57	169.4	0	0	0	109.7	V3 L541 M559 C563 A564 L565 I577 R580	V3-L567 HydrophobicContact CG2-CD2 3.61Å; L541-L567 HydrophobicContact CD1-CD1 3.88Å; L541-L567 HydrophobicContact CD1-CD2 4.2Å; L541-L567 HydrophobicContact CD1-CG 4.46Å; M559-L567 HydrophobicContact CE-CD1 3.14Å; M559-L567 HydrophobicContact SD-CD1 3.96Å; C563-L567 WeakPolarHBondContact O-CG 3.24Å; A564-L567 PolarHBondContact O-N 2.87Å; L565-L567 VanDerWaalsContact C-N 3.28Å; L565-L567 PolarHBondContact O-N 3.05Å; L567-I577 HydrophobicContact CB-CD1 3.59Å; L567-I577 WeakPolarHBondContact O-CD1 3.32Å; L567-R580 PolarHBondContact O-NH2 2.7Å
568	E	90.6	Very high	91.1	Very high	161 Å²	161	68.1 Å²	68.1	75%	0.752	34%	0.342	S	S	*	.	S	Bend	trans	-88.7	-29.2	171.4	-64	178.9	172.8	0	0	111.3	I577	E568-I577 PolarHBondContact O-N 2.78Å
569	T	93	Very high	91.4	Very high	72 Å²	72	70.2 Å²	70.2	44%	0.442	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-126.4	144.2	178.8	58.7	0	0	0	0	111.5	Q575	T569-Q575 CarbonylContact C-O 3.41Å; T569-Q575 WeakPolarHBondContact CA-O 3.08Å
570	C	89.6	Confident	91.6	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.361	C	S	.	.			trans	-60.8	127.1	176.3	178.1	0	0	0	0	110	L551 H556 L572 C573 R574 Q575 I577	L551-C570 HydrophobicContact CD1-CB 4.06Å; H556-C570 PolarHBondContact ND1-SG 3.01Å; C570-L572 PolarHBondContact O-N 3.37Å; C570-L572 PolarHBondContact SG-N 3.32Å; C570-C573 VanDerWaalsContact SG-SG 3.64Å; C570-R574 WeakPolarHBondContact O-CA 3.46Å; C570-R574 PolarHBondContact O-N 3.11Å; C570-Q575 PolarHBondContact N-O 3.06Å; C570-I577 HydrophobicContact CB-CG1 4.33Å
571	P	86.3	Confident	91.6	Very high	55 Å²	55	75.7 Å²	75.7	36%	0.357	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.9	-178.5	30	-36.9	0	0	0	113	M559	M559-P571 HydrophobicContact CE-CG 3.59Å; M559-P571 HydrophobicContact SD-CG 4.08Å
572	L	87.4	Confident	91.6	Very high	116 Å²	116	80.8 Å²	80.8	61%	0.607	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-42.6	-177.8	-61.1	-178.5	0	0	0	112.5	H556 C570	H556-L572 HydrophobicContact CB-CD1 3.95Å; C570-L572 PolarHBondContact O-N 3.37Å; C570-L572 PolarHBondContact SG-N 3.32Å
573	C	91.6	Very high	91.3	Very high	54 Å²	54	80.3 Å²	80.3	37%	0.365	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	0.5	-177.8	64.1	0	0	0	0	115.1	C554 H556 C570 Q575	C554-C573 VanDerWaalsContact CB-SG 3.51Å; H556-C573 PolarHBondContact ND1-SG 3.19Å; H556-C573 VanDerWaalsContact ND1-SG 3.45Å; C570-C573 VanDerWaalsContact SG-SG 3.64Å; C573-Q575 PolarHBondContact O-N 3.09Å; C573-Q575 VanDerWaalsContact SG-CB 3.54Å
574	R	91.6	Very high	90.6	Very high	216 Å²	216	87.2 Å²	87.2	82%	0.815	43%	0.425	S	S	*	.			trans	60.6	9.7	-177.6	-52.7	-176.9	-179.6	-145.2	1.2	115.1	C570	C570-R574 WeakPolarHBondContact O-CA 3.46Å; C570-R574 PolarHBondContact O-N 3.11Å
575	Q	94.1	Very high	89	Confident	91 Å²	91	90.5 Å²	90.5	43%	0.425	45%	0.452	S	S	.	.			trans	-71.3	141.6	175.8	-170.4	168.2	13.2	0	0	111.1	T569 C570 C573 I577	T569-Q575 CarbonylContact C-O 3.41Å; T569-Q575 WeakPolarHBondContact CA-O 3.08Å; C570-Q575 PolarHBondContact N-O 3.06Å; C573-Q575 PolarHBondContact O-N 3.09Å; C573-Q575 VanDerWaalsContact SG-CB 3.54Å; Q575-I577 PolarHBondContact O-N 2.78Å
576	E	94.5	Very high	86.8	Confident	144 Å²	144	93.7 Å²	93.7	67%	0.673	46%	0.464	S	S	*	.	B	Isolated β-bridge	trans	-60.3	132.5	175.9	-166.1	-179.7	179.2	0	0	111.4	Q578	E576-Q578 PolarHBondContact O-N 3.5Å
577	I	95.1	Very high	84.4	Confident	12 Å²	12	96.2 Å²	96.2	6%	0.062	49%	0.486	C	S	.	.			trans	-89.3	109.7	-176.8	-59.1	163.5	0	0	0	108.9	L551 L567 E568 C570 Q575 R580	L551-I577 HydrophobicContact CB-CG1 4.46Å; L551-I577 HydrophobicContact CB-CG2 4.45Å; L551-I577 HydrophobicContact CD1-CD1 3.73Å; L551-I577 HydrophobicContact CD1-CG1 4.14Å; L551-I577 HydrophobicContact CD2-CD1 4.04Å; L551-I577 HydrophobicContact CD2-CG1 4.46Å; L551-I577 HydrophobicContact CD2-CG2 4.05Å; L551-I577 HydrophobicContact CG-CD1 4.4Å; L567-I577 HydrophobicContact CB-CD1 3.59Å; L567-I577 WeakPolarHBondContact O-CD1 3.32Å; E568-I577 PolarHBondContact O-N 2.78Å; C570-I577 HydrophobicContact CB-CG1 4.33Å; Q575-I577 PolarHBondContact O-N 2.78Å; I577-R580 HydrophobicContact CG2-CG 3.82Å; I577-R580 VanDerWaalsContact CG2-CZ 3.45Å
578	Q	94.3	Very high	81.8	Confident	141 Å²	141	104 Å²	104	66%	0.659	54%	0.541	S	S	*	.			trans	-83.2	-44.6	177.5	-64.8	-179.6	-3.1	0	0	111.6	R552 E576	R552-Q578 PolarHBondContact O-N 3.45Å; E576-Q578 PolarHBondContact O-N 3.5Å
579	T	93.3	Very high	81.3	Confident	73 Å²	73	101.2 Å²	101.2	45%	0.448	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.1	-178.9	52.2	0	0	0	0	111.6	R552	R552-T579 VanDerWaalsContact CB-OG1 3.29Å; R552-T579 WeakPolarHBondContact CB-OG1 3.36Å; R552-T579 PolarHBondContact N-O 3.48Å; R552-T579 PolarHBondContact O-N 3.28Å
580	R	94.5	Very high	80.7	Confident	68 Å²	68	102.7 Å²	102.7	26%	0.257	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.9	-179.2	-64.8	154.8	-167.7	75.8	2.1	107.4	T549 E550 L551 M561 A564 L567 I577	T549-R580 HydrophobicContact CG2-CB 4.02Å; E550-R580 WeakPolarHBondContact O-CA 3.29Å; L551-R580 HydrophobicContact CD2-CG 3.86Å; M561-R580 HydrophobicContact SD-CB 4.12Å; A564-R580 HydrophobicContact CB-CG 4.24Å; A564-R580 VanDerWaalsContact O-CD 3.32Å; A564-R580 WeakPolarHBondContact O-CD 3.39Å; A564-R580 PolarHBondContact O-NE 2.92Å; L567-R580 PolarHBondContact O-NH2 2.7Å; I577-R580 HydrophobicContact CG2-CG 3.82Å; I577-R580 VanDerWaalsContact CG2-CZ 3.45Å
581	V	93.8	Very high	80.2	Confident	54 Å²	54	108.4 Å²	108.4	33%	0.327	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112	122.2	-172.9	-177.9	0	0	0	0	109	T549 E550 R552 L583	T549-V581 CarbonylContact C-O 3.6Å; T549-V581 WeakPolarHBondContact CA-O 3.37Å; E550-V581 PolarHBondContact N-O 3.22Å; E550-V581 PolarHBondContact O-N 3.4Å; R552-V581 HydrophobicContact CG-CG2 4.45Å; V581-L583 PolarHBondContact O-N 2.77Å
582	R	91.2	Very high	79.8	Confident	135 Å²	135	111.5 Å²	111.5	51%	0.509	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	119	173.7	-171.3	169.7	-98.5	162	-4.8	109.6	D548 M561 I584	D548-R582 HydrophobicContact CB-CG 4.42Å; D548-R582 CarbonylContact O-C 3.07Å; D548-R582 VanDerWaalsContact O-CA 3.24Å; D548-R582 WeakPolarHBondContact O-CA 3.15Å; D548-R582 IonicContact OD2-CZ 3.51Å; D548-R582 IonicContact OD2-NE 2.77Å; D548-R582 PolarHBondContact OD2-NE 2.86Å; D548-R582 IonicContact OD2-NH2 2.72Å; D548-R582 PolarHBondContact OD2-NH2 3.23Å; M561-R582 VanDerWaalsContact CB-NH2 3.26Å; M561-R582 HydrophobicContact CE-CB 3.61Å; R582-I584 PolarHBondContact O-N 2.82Å
583	L	86.1	Confident	79.4	Confident	82 Å²	82	111.3 Å²	111.3	43%	0.429	58%	0.576	S	S	.	*			trans	-78.1	106.1	172.1	-59.6	176.8	0	0	0	108.3	D548 E550 V581 A585	D548-L583 PolarHBondContact O-N 3.07Å; E550-L583 HydrophobicContact CB-CD1 4.26Å; E550-L583 HydrophobicContact CB-CD2 4.12Å; E550-L583 HydrophobicContact CB-CG 4.19Å; V581-L583 PolarHBondContact O-N 2.77Å; L583-A585 PolarHBondContact O-N 2.83Å
584	I	76	Confident	78.6	Confident	146 Å²	146	115.1 Å²	115.1	75%	0.749	59%	0.59	S	S	*	*			trans	-80.4	107.8	172.7	-56.6	173.6	0	0	0	106.7	R582 H586	R582-I584 PolarHBondContact O-N 2.82Å; I584-H586 PolarHBondContact O-N 2.85Å
585	A	57.6	Low	77.6	Confident	69 Å²	69	107.9 Å²	107.9	57%	0.57	57%	0.574	S	S	*	*			trans	-67.1	114.5	168.9	0	0	0	0	0	108.5	L583 V587	L583-A585 PolarHBondContact O-N 2.83Å; A585-V587 PolarHBondContact O-N 3.2Å; A585-V587 VanDerWaalsContact O-N 3.11Å
586	H	44.1	Very low	76.4	Confident	169 Å²	169	109.2 Å²	109.2	78%	0.782	59%	0.585	S	S	*	*			trans	-62.9	110.7	160.1	-90.2	-75.6	0	0	0	107.3	I584 S588	I584-H586 PolarHBondContact O-N 2.85Å; H586-S588 PolarHBondContact O-N 3.24Å; H586-S588 PolarHBondContact O-OG 2.96Å
587	V	40.2	Very low	74.9	Confident	149 Å²	149	106.3 Å²	106.3	90%	0.903	58%	0.578	S	S	*	*			trans	-58.4	107	165.5	-176.5	0	0	0	0	106.2	A585	A585-V587 PolarHBondContact O-N 3.2Å; A585-V587 VanDerWaalsContact O-N 3.11Å
588	S	32.1	Very low	73	Confident	177 Å²	177	114.8 Å²	114.8	100%	1.238	63%	0.625	S	S	*	*			trans	-113.7	0	173.7	-45.7	0	0	0	0	108.4	H586	H586-S588 PolarHBondContact O-N 3.24Å; H586-S588 PolarHBondContact O-OG 2.96Å

Retrieved 588 of 588 residues in 1039.2 ms (Link to these results)

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