A0A096NDF5_PAPAN Loading...

Kelch-like protein 21

AlphaFold DB , UniProt , Accession A0A096NDF5, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL21, Length 597 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	45.1	Very low	63.1	Low	248 Å²	248	154 Å²	154	100%	1.222	86%	0.861	S	S	*	*				0	116.5	0	-84.8	177.1	177.4	0	0	107.5
2	E	46.9	Very low	65.2	Low	193 Å²	193	156.8 Å²	156.8	90%	0.902	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.2	142.8	-167.6	-67.7	160.2	142.6	0	0	112.3
3	R	53.1	Low	66.7	Low	239 Å²	239	152.8 Å²	152.8	90%	0.902	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-68.3	131.5	164.3	-79.1	180	173.5	177.9	-2.1	107.8	A5	R3-A5 PolarHBondContact O-N 3.16Å
4	P	57.4	Low	68.4	Low	125 Å²	125	147.3 Å²	147.3	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.9	177.6	25.4	-30.9	0	0	0	109.5
5	A	64.6	Low	69.7	Low	85 Å²	85	145.7 Å²	145.7	70%	0.702	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-57.8	141.9	174.7	0	0	0	0	0	110.2	R3 L7	R3-A5 PolarHBondContact O-N 3.16Å; A5-L7 PolarHBondContact O-N 3.04Å
6	P	61.3	Low	70.9	Confident	127 Å²	127	140.1 Å²	140.1	83%	0.825	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.8	124.4	175.1	24.4	-30.6	0	0	0	109.2	A8	P6-A8 PolarHBondContact O-N 3.22Å
7	L	65.7	Low	72.1	Confident	163 Å²	163	138.7 Å²	138.7	85%	0.853	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-51.2	123.7	174	-79.9	151.3	0	0	0	109.2	A5 V9	A5-L7 PolarHBondContact O-N 3.04Å; L7-V9 PolarHBondContact O-N 2.85Å
8	A	67.6	Low	72.9	Confident	102 Å²	102	134.6 Å²	134.6	84%	0.843	77%	0.765	S	S	*	*			trans	-65.1	107.3	176.9	0	0	0	0	0	109.5	P6	P6-A8 PolarHBondContact O-N 3.22Å
9	V	77.5	Confident	73.7	Confident	125 Å²	125	132.2 Å²	132.2	76%	0.758	75%	0.749	S	S	*	*			trans	-92.2	119.4	174	179.9	0	0	0	0	108.3	L7 P11	L7-V9 PolarHBondContact O-N 2.85Å; V9-P11 WeakPolarHBondContact O-CD 3.39Å
10	L	77.9	Confident	74.5	Confident	165 Å²	165	129.4 Å²	129.4	86%	0.864	74%	0.739	S	S	*	*			trans	-98.9	104	170.2	-77.6	165.8	0	0	0	109.2	F12	L10-F12 PolarHBondContact O-N 2.74Å
11	P	77.3	Confident	75.3	Confident	122 Å²	122	127.9 Å²	127.9	79%	0.792	73%	0.728	S	S	*	*			trans	-70.6	113.3	173.8	27.1	-31.4	0	0	0	110.2	V9	V9-P11 WeakPolarHBondContact O-CD 3.39Å
12	F	87.4	Confident	77.4	Confident	187 Å²	187	119.1 Å²	119.1	82%	0.82	69%	0.685	S	S	*	*			trans	-93.7	131.6	171.8	175.9	-99	0	0	0	110.3	L10 D14	L10-F12 PolarHBondContact O-N 2.74Å; F12-D14 HydrophobicContact CE1-CB 3.94Å; F12-D14 HydrophobicContact CZ-CB 4.08Å
13	S	85.5	Confident	79.5	Confident	106 Å²	106	117.9 Å²	117.9	74%	0.741	67%	0.673	S	S	*	*			trans	-133.3	119.6	176	-177.5	0	0	0	0	109.2	P15	S13-P15 WeakPolarHBondContact O-CD 3.28Å
14	D	89.9	Confident	81.4	Confident	75 Å²	75	108 Å²	108	40%	0.401	65%	0.645	S	S	.	*			trans	-94.4	109.3	173.8	174.7	12.5	0	0	0	109.8	F12 A16 H17	F12-D14 HydrophobicContact CE1-CB 3.94Å; F12-D14 HydrophobicContact CZ-CB 4.08Å; D14-A16 PolarHBondContact O-N 2.69Å; D14-A16 WeakPolarHBondContact OD1-CB 3.32Å; D14-A16 PolarHBondContact OD1-N 3.32Å; D14-H17 HydrophobicContact CB-CB 4.13Å; D14-H17 WeakPolarHBondContact O-CB 3.33Å; D14-H17 PolarHBondContact O-N 3.38Å; D14-H17 PolarHBondContact OD2-N 3.37Å
15	P	87.5	Confident	83	Confident	123 Å²	123	104.2 Å²	104.2	80%	0.799	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-19.7	-179.9	28.3	-34.4	0	0	0	113.2	S13	S13-P15 WeakPolarHBondContact O-CD 3.28Å
16	A	90.1	Very high	84.3	Confident	56 Å²	56	102.1 Å²	102.1	46%	0.463	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-14.4	179.8	0	0	0	0	0	113.3	D14 A18 L19 S20	D14-A16 PolarHBondContact O-N 2.69Å; D14-A16 WeakPolarHBondContact OD1-CB 3.32Å; D14-A16 PolarHBondContact OD1-N 3.32Å; A16-A18 PolarHBondContact O-N 2.84Å; A16-L19 PolarHBondContact O-N 2.98Å; A16-S20 PolarHBondContact O-N 3.31Å
17	H	90.8	Very high	85.8	Confident	117 Å²	117	101.6 Å²	101.6	54%	0.542	59%	0.585	S	S	.	*	H	α-helix	trans	-56.2	-47.4	-174.5	-177.9	69	0	0	0	112.6	D14 L19 S20 L21	D14-H17 HydrophobicContact CB-CB 4.13Å; D14-H17 WeakPolarHBondContact O-CB 3.33Å; D14-H17 PolarHBondContact O-N 3.38Å; D14-H17 PolarHBondContact OD2-N 3.37Å; H17-L19 VanDerWaalsContact C-N 3.35Å; H17-L19 PolarHBondContact O-N 3.36Å; H17-S20 PolarHBondContact O-N 3.47Å; H17-L21 WeakPolarHBondContact O-CB 3.29Å; H17-L21 PolarHBondContact O-N 3.11Å
18	A	86.8	Confident	87	Confident	64 Å²	64	96.3 Å²	96.3	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-61.7	-40.6	-179.1	0	0	0	0	0	112.7	A16 L21 L22	A16-A18 PolarHBondContact O-N 2.84Å; A18-L21 PolarHBondContact O-N 3.24Å; A18-L22 WeakPolarHBondContact O-CG 3.47Å; A18-L22 PolarHBondContact O-N 2.93Å
19	L	87.7	Confident	88.1	Confident	89 Å²	89	93.1 Å²	93.1	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-71.9	-37.4	179.6	-158.9	111.2	0	0	0	111.5	A16 H17 R23	A16-L19 PolarHBondContact O-N 2.98Å; H17-L19 VanDerWaalsContact C-N 3.35Å; H17-L19 PolarHBondContact O-N 3.36Å; L19-R23 VanDerWaalsContact CD2-CZ 3.49Å; L19-R23 WeakPolarHBondContact O-CG 3.37Å; L19-R23 PolarHBondContact O-N 3.29Å; L19-R23 VanDerWaalsContact O-N 3.07Å
20	S	89.8	Confident	88.7	Confident	77 Å²	77	91.3 Å²	91.3	54%	0.538	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-42.8	174.1	-169.2	0	0	0	0	111.6	A16 H17 R23 G24	A16-S20 PolarHBondContact O-N 3.31Å; H17-S20 PolarHBondContact O-N 3.47Å; S20-R23 PolarHBondContact O-N 3.28Å; S20-G24 PolarHBondContact O-N 3.16Å
21	L	91	Very high	89.4	Confident	98 Å²	98	87.5 Å²	87.5	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-47.5	176	-179.1	65	0	0	0	111.9	H17 A18 R23 G24 L25	H17-L21 WeakPolarHBondContact O-CB 3.29Å; H17-L21 PolarHBondContact O-N 3.11Å; A18-L21 PolarHBondContact O-N 3.24Å; L21-R23 VanDerWaalsContact C-N 3.34Å; L21-R23 PolarHBondContact O-N 2.81Å; L21-G24 PolarHBondContact O-N 3.37Å; L21-L25 HydrophobicContact CG-CD1 4.2Å; L21-L25 WeakPolarHBondContact O-CG 3.19Å; L21-L25 PolarHBondContact O-N 2.79Å
22	L	90.5	Very high	90	Very high	63 Å²	63	91 Å²	91	33%	0.33	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-42	176.8	-79.6	171	0	0	0	112.1	A18 G24 L25 S26	A18-L22 WeakPolarHBondContact O-CG 3.47Å; A18-L22 PolarHBondContact O-N 2.93Å; L22-G24 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-S26 WeakPolarHBondContact O-CB 3.46Å; L22-S26 PolarHBondContact O-N 3.27Å
23	R	90.6	Very high	90	Very high	168 Å²	168	87 Å²	87	63%	0.634	48%	0.479	S	S	*	.	H	α-helix	trans	-60.6	-43.9	173.4	-75.7	175.6	178.9	172.5	0.2	112.1	L19 S20 L21 S26 Q27	L19-R23 VanDerWaalsContact CD2-CZ 3.49Å; L19-R23 WeakPolarHBondContact O-CG 3.37Å; L19-R23 PolarHBondContact O-N 3.29Å; L19-R23 VanDerWaalsContact O-N 3.07Å; S20-R23 PolarHBondContact O-N 3.28Å; L21-R23 VanDerWaalsContact C-N 3.34Å; L21-R23 PolarHBondContact O-N 2.81Å; R23-S26 WeakPolarHBondContact O-CB 3.06Å; R23-S26 PolarHBondContact O-N 3.32Å; R23-Q27 PolarHBondContact O-N 3.31Å
24	G	91.4	Very high	90.2	Very high	32 Å²	32	89.9 Å²	89.9	33%	0.33	48%	0.478	S	S	.	.	H	α-helix	trans	-60	-45.6	175.3	0	0	0	0	0	112.5	S20 L21 L22 S26 Q27 L28	S20-G24 PolarHBondContact O-N 3.16Å; L21-G24 PolarHBondContact O-N 3.37Å; L22-G24 PolarHBondContact O-N 3.38Å; G24-S26 VanDerWaalsContact C-N 3.34Å; G24-S26 PolarHBondContact O-N 3.04Å; G24-Q27 PolarHBondContact O-N 3.37Å; G24-L28 WeakPolarHBondContact O-CG 3.34Å; G24-L28 PolarHBondContact O-N 3.2Å
25	L	92	Very high	90.2	Very high	44 Å²	44	88.8 Å²	88.8	23%	0.23	47%	0.472	C	S	.	.	H	α-helix	trans	-63.8	-38.3	176.6	-70	168.3	0	0	0	112.5	L21 L22 L28 R29 V53 Y95	L21-L25 HydrophobicContact CG-CD1 4.2Å; L21-L25 WeakPolarHBondContact O-CG 3.19Å; L21-L25 PolarHBondContact O-N 2.79Å; L22-L25 PolarHBondContact O-N 3.25Å; L25-L28 PolarHBondContact O-N 2.86Å; L25-R29 PolarHBondContact O-N 3Å; L25-R29 VanDerWaalsContact O-N 3.12Å; L25-V53 HydrophobicContact CD1-CG2 4.01Å; L25-V53 HydrophobicContact CD2-CG2 4.29Å; L25-Y95 HydrophobicContact CB-CD1 4.09Å; L25-Y95 HydrophobicContact CB-CE1 4.29Å
26	S	91.6	Very high	90.3	Very high	42 Å²	42	86.5 Å²	86.5	29%	0.294	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-43.8	173.9	-175.6	0	0	0	0	111.6	L22 R23 G24 R29 A30	L22-S26 WeakPolarHBondContact O-CB 3.46Å; L22-S26 PolarHBondContact O-N 3.27Å; R23-S26 WeakPolarHBondContact O-CB 3.06Å; R23-S26 PolarHBondContact O-N 3.32Å; G24-S26 VanDerWaalsContact C-N 3.34Å; G24-S26 PolarHBondContact O-N 3.04Å; S26-R29 WeakPolarHBondContact O-CB 3.12Å; S26-R29 PolarHBondContact O-N 3.5Å; S26-A30 PolarHBondContact O-N 2.91Å
27	Q	92.3	Very high	90.3	Very high	116 Å²	116	84 Å²	84	54%	0.542	43%	0.432	S	S	.	.	H	α-helix	trans	-64.5	-42.7	176.7	-174.2	177.6	-8.4	0	0	112.2	R23 G24 R29 A30 E31	R23-Q27 PolarHBondContact O-N 3.31Å; G24-Q27 PolarHBondContact O-N 3.37Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 2.86Å; Q27-A30 WeakPolarHBondContact O-CB 3.21Å; Q27-A30 PolarHBondContact O-N 2.87Å; Q27-A30 VanDerWaalsContact O-N 3.1Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.35Å; Q27-E31 PolarHBondContact NE2-OE1 3.17Å; Q27-E31 PolarHBondContact O-N 2.95Å
28	L	92.5	Very high	90.4	Very high	52 Å²	52	80.4 Å²	80.4	27%	0.272	42%	0.418	S	S	.	.	H	α-helix	trans	-59.2	-38.5	175.5	-71.4	173.7	0	0	0	112.1	G24 L25 E31 R32 K33 F34	G24-L28 WeakPolarHBondContact O-CG 3.34Å; G24-L28 PolarHBondContact O-N 3.2Å; L25-L28 PolarHBondContact O-N 2.86Å; L28-E31 PolarHBondContact O-N 2.88Å; L28-R32 PolarHBondContact O-N 3.18Å; L28-R32 VanDerWaalsContact O-N 3.12Å; L28-K33 HydrophobicContact CD2-CB 4.13Å; L28-K33 HydrophobicContact CD2-CD 4.34Å; L28-K33 PolarHBondContact O-N 3.43Å; L28-F34 HydrophobicContact CD1-CD2 4.33Å; L28-F34 HydrophobicContact CD2-CD2 4.09Å; L28-F34 HydrophobicContact CD2-CE2 4.12Å
29	R	90.9	Very high	90.5	Very high	35 Å²	35	77.3 Å²	77.3	13%	0.132	39%	0.393	C	S	.	.	H	α-helix	trans	-65	-42.5	174	-177.2	173.9	175.8	-135.2	-5.3	111.8	L25 S26 Q27 E31 R32 L35 P48 D92 Y95	L25-R29 PolarHBondContact O-N 3Å; L25-R29 VanDerWaalsContact O-N 3.12Å; S26-R29 WeakPolarHBondContact O-CB 3.12Å; S26-R29 PolarHBondContact O-N 3.5Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 2.86Å; R29-E31 VanDerWaalsContact C-N 3.33Å; R29-E31 PolarHBondContact O-N 2.81Å; R29-R32 PolarHBondContact O-N 2.76Å; R29-R32 VanDerWaalsContact O-N 3.13Å; R29-L35 HydrophobicContact CG-CD2 4.37Å; R29-P48 PolarHBondContact NE-O 3.22Å; R29-P48 VanDerWaalsContact NE-O 3.16Å; R29-D92 IonicContact NH1-OD1 2.98Å; R29-D92 PolarHBondContact NH1-OD1 2.96Å; R29-D92 VanDerWaalsContact NH1-OD1 3.12Å; R29-Y95 HydrophobicContact CB-CE1 4.26Å
30	A	89.9	Confident	90.6	Very high	86 Å²	86	74.3 Å²	74.3	71%	0.711	38%	0.376	S	S	*	.	H	α-helix	trans	-63.2	-39	177.1	0	0	0	0	0	112.3	S26 Q27 R32	S26-A30 PolarHBondContact O-N 2.91Å; Q27-A30 WeakPolarHBondContact O-CB 3.21Å; Q27-A30 PolarHBondContact O-N 2.87Å; Q27-A30 VanDerWaalsContact O-N 3.1Å; A30-R32 PolarHBondContact O-N 2.79Å
31	E	92.2	Very high	90.5	Very high	86 Å²	86	70.8 Å²	70.8	40%	0.402	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2	175.7	-67.3	178.5	-162.5	0	0	113.7	Q27 L28 R29 K33	Q27-E31 WeakPolarHBondContact CG-OE1 3.35Å; Q27-E31 PolarHBondContact NE2-OE1 3.17Å; Q27-E31 PolarHBondContact O-N 2.95Å; L28-E31 PolarHBondContact O-N 2.88Å; R29-E31 VanDerWaalsContact C-N 3.33Å; R29-E31 PolarHBondContact O-N 2.81Å; E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 HydrophobicContact CB-CD 4.21Å; E31-K33 HydrophobicContact CB-CG 4.17Å; E31-K33 PolarHBondContact O-N 3.49Å; E31-K33 WeakPolarHBondContact OE2-CD 3.34Å; E31-K33 VanDerWaalsContact OE2-CE 3.31Å; E31-K33 WeakPolarHBondContact OE2-CE 3.47Å; E31-K33 IonicContact OE2-NZ 2.95Å; E31-K33 PolarHBondContact OE2-NZ 3.25Å
32	R	89.6	Confident	89.7	Confident	196 Å²	196	68.3 Å²	68.3	74%	0.74	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	36.3	-175.6	-60.7	-173.8	175.3	-170.2	-1.2	114.4	L28 R29 A30 L35	L28-R32 PolarHBondContact O-N 3.18Å; L28-R32 VanDerWaalsContact O-N 3.12Å; R29-R32 PolarHBondContact O-N 2.76Å; R29-R32 VanDerWaalsContact O-N 3.13Å; A30-R32 PolarHBondContact O-N 2.79Å; R32-L35 VanDerWaalsContact CA-CD1 3.47Å; R32-L35 HydrophobicContact CB-CD1 3.72Å; R32-L35 HydrophobicContact CG-CD1 4.13Å
33	K	88.4	Confident	88.8	Confident	103 Å²	103	69.4 Å²	69.4	45%	0.448	37%	0.373	S	S	.	.			trans	-98.2	142.5	178.1	-68.9	178.5	-179.9	162.2	0	111.1	L28 E31 L35 H50	L28-K33 HydrophobicContact CD2-CB 4.13Å; L28-K33 HydrophobicContact CD2-CD 4.34Å; L28-K33 PolarHBondContact O-N 3.43Å; E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 HydrophobicContact CB-CD 4.21Å; E31-K33 HydrophobicContact CB-CG 4.17Å; E31-K33 PolarHBondContact O-N 3.49Å; E31-K33 WeakPolarHBondContact OE2-CD 3.34Å; E31-K33 VanDerWaalsContact OE2-CE 3.31Å; E31-K33 WeakPolarHBondContact OE2-CE 3.47Å; E31-K33 IonicContact OE2-NZ 2.95Å; E31-K33 PolarHBondContact OE2-NZ 3.25Å; K33-L35 PolarHBondContact O-N 3.05Å; K33-H50 PolarHBondContact O-NE2 3.32Å; K33-H50 VanDerWaalsContact O-NE2 3.11Å
34	F	89.1	Confident	88.3	Confident	165 Å²	165	63.5 Å²	63.5	72%	0.724	36%	0.364	S	S	*	.	S	Bend	trans	58.3	23.8	175.6	-48.3	-67.9	0	0	0	116.1	L28 H50	L28-F34 HydrophobicContact CD1-CD2 4.33Å; L28-F34 HydrophobicContact CD2-CD2 4.09Å; L28-F34 HydrophobicContact CD2-CE2 4.12Å; F34-H50 PolarHBondContact O-CD2 3.19Å
35	L	89.5	Confident	88.1	Confident	52 Å²	52	67.3 Å²	67.3	27%	0.272	37%	0.368	S	S	.	.			trans	-72.9	132.6	175.7	-58.3	165.7	0	0	0	110.3	R29 R32 K33 P48	R29-L35 HydrophobicContact CG-CD2 4.37Å; R32-L35 VanDerWaalsContact CA-CD1 3.47Å; R32-L35 HydrophobicContact CB-CD1 3.72Å; R32-L35 HydrophobicContact CG-CD1 4.13Å; K33-L35 PolarHBondContact O-N 3.05Å; L35-P48 HydrophobicContact CD1-CB 3.57Å; L35-P48 HydrophobicContact CD1-CG 4.23Å; L35-P48 HydrophobicContact CD2-CB 4.26Å; L35-P48 HydrophobicContact CG-CB 4.34Å
36	D	90.1	Very high	88.1	Confident	76 Å²	76	68.4 Å²	68.4	41%	0.406	37%	0.374	S	S	.	.			trans	-128.1	3.3	-173.1	61.9	-11.1	0	0	0	113.1	A49 H50 R51	D36-A49 PolarHBondContact N-O 3.48Å; D36-H50 WeakPolarHBondContact OD1-CA 3.5Å; D36-R51 WeakPolarHBondContact OD1-CG 3.34Å; D36-R51 PolarHBondContact OD1-N 2.91Å; D36-R51 WeakPolarHBondContact OD2-CB 3.39Å; D36-R51 WeakPolarHBondContact OD2-CD 3.42Å; D36-R51 WeakPolarHBondContact OD2-CG 3.44Å
37	V	90.1	Very high	88.1	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	146	172.4	66.3	0	0	0	0	112	L39 A49 R51 L54 F65 V77	V37-L39 HydrophobicContact CG2-CD2 4.31Å; V37-A49 HydrophobicContact CG1-CB 4.28Å; V37-A49 PolarHBondContact N-O 2.84Å; V37-A49 PolarHBondContact O-N 3.12Å; V37-R51 HydrophobicContact CB-CG 3.75Å; V37-R51 HydrophobicContact CG1-CG 3.68Å; V37-L54 HydrophobicContact CG1-CD1 4.27Å; V37-F65 HydrophobicContact CG1-CZ 4.25Å; V37-F65 HydrophobicContact CG2-CE1 4.18Å; V37-F65 HydrophobicContact CG2-CZ 4.09Å; V37-V77 HydrophobicContact CG2-CG2 4.11Å
38	T	91.5	Very high	88.1	Confident	41 Å²	41	63 Å²	63	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.1	168.9	-57.2	0	0	0	0	110	D46 E75 R76 V77	T38-D46 HydrophobicContact CG2-CB 3.74Å; T38-E75 PolarHBondContact N-O 3.21Å; T38-R76 HydrophobicContact CG2-CG 4.38Å; T38-R76 WeakPolarHBondContact O-CA 3.35Å; T38-V77 PolarHBondContact O-N 2.69Å
39	L	90.8	Very high	88.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.5	174.5	-57.5	177.7	0	0	0	109.9	V37 D46 F47 L54 F61 V77 L79 L87 L91	V37-L39 HydrophobicContact CG2-CD2 4.31Å; L39-D46 CarbonylContact O-C 3.5Å; L39-F47 HydrophobicContact CB-CB 4.35Å; L39-F47 PolarHBondContact N-O 3.13Å; L39-F47 PolarHBondContact O-N 3.39Å; L39-L54 HydrophobicContact CD1-CD1 3.88Å; L39-L54 HydrophobicContact CG-CD1 4.48Å; L39-F61 HydrophobicContact CD1-CE1 4.08Å; L39-F61 HydrophobicContact CD1-CZ 3.95Å; L39-F61 HydrophobicContact CD2-CE1 4.18Å; L39-V77 CarbonylContact C-O 3.55Å; L39-V77 WeakPolarHBondContact CA-O 3.26Å; L39-V77 HydrophobicContact CD2-CB 3.99Å; L39-V77 HydrophobicContact CD2-CG1 4.41Å; L39-L79 HydrophobicContact CB-CD1 4.36Å; L39-L79 HydrophobicContact CD1-CD1 4.19Å; L39-L79 HydrophobicContact CD2-CD1 4.46Å; L39-L87 HydrophobicContact CB-CD2 4.27Å; L39-L87 HydrophobicContact CD1-CD1 4.45Å; L39-L91 HydrophobicContact CD1-CD1 4.49Å; L39-L91 HydrophobicContact CD1-CD2 3.93Å
40	E	89.2	Confident	88.2	Confident	25 Å²	25	59.6 Å²	59.6	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115	175	-179	-178.1	162.5	0	0	108.8	R76 V77 R78 L79	E40-R76 IonicContact OE1-NH2 2.66Å; E40-R76 IonicContact OE2-CZ 3.55Å; E40-R76 IonicContact OE2-NE 3.22Å; E40-R76 PolarHBondContact OE2-NE 3.23Å; E40-R76 IonicContact OE2-NH2 3.22Å; E40-R76 PolarHBondContact OE2-NH2 2.83Å; E40-V77 PolarHBondContact N-O 3.33Å; E40-R78 HydrophobicContact CB-CG 3.96Å; E40-R78 VanDerWaalsContact CD-NE 3.3Å; E40-R78 HydrophobicContact CG-CG 4.14Å; E40-R78 IonicContact OE1-CZ 3.74Å; E40-R78 IonicContact OE1-NE 3.6Å; E40-R78 PolarHBondContact OE1-NE 3.49Å; E40-R78 IonicContact OE1-NH2 2.87Å; E40-R78 VanDerWaalsContact OE2-CG 3.29Å; E40-R78 WeakPolarHBondContact OE2-CG 3.45Å; E40-R78 IonicContact OE2-CZ 2.85Å; E40-R78 IonicContact OE2-NE 2.69Å; E40-R78 PolarHBondContact OE2-NE 3.33Å; E40-R78 IonicContact OE2-NH2 2.74Å; E40-L79 PolarHBondContact O-N 3.27Å
41	A	87	Confident	88.3	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.033	30%	0.304	C	S	.	.			trans	-78.9	168.5	177.6	0	0	0	0	0	112.3	G43 G44 R45 F47 P84 L87	A41-G43 PolarHBondContact O-N 3.36Å; A41-G43 VanDerWaalsContact O-N 3.16Å; A41-G44 PolarHBondContact O-N 3.39Å; A41-R45 PolarHBondContact N-O 3.22Å; A41-F47 HydrophobicContact CB-CD2 4.28Å; A41-F47 HydrophobicContact CB-CE2 3.8Å; A41-P84 HydrophobicContact CB-CB 4.02Å; A41-L87 HydrophobicContact CB-CD2 3.81Å
42	A	75.4	Confident	88.1	Confident	45 Å²	45	56.7 Å²	56.7	37%	0.372	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	120.7	171.2	0	0	0	0	0	109.8	V82	A42-V82 WeakPolarHBondContact CB-O 3.38Å; A42-V82 PolarHBondContact N-O 2.9Å
43	G	71.8	Confident	88.2	Confident	87 Å²	87	48.1 Å²	48.1	90%	0.897	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	2.4	-173.1	0	0	0	0	0	115.2	A41	A41-G43 PolarHBondContact O-N 3.36Å; A41-G43 VanDerWaalsContact O-N 3.16Å
44	G	79.1	Confident	88.4	Confident	43 Å²	43	43.2 Å²	43.2	44%	0.443	26%	0.262	S	S	.	.	S	Bend	trans	83	14	168	0	0	0	0	0	115.4	A41	A41-G44 PolarHBondContact O-N 3.39Å
45	R	87.6	Confident	88.5	Confident	113 Å²	113	36.4 Å²	36.4	43%	0.426	24%	0.236	S	C	.	.			trans	-82	128.8	174.5	-170.9	173.9	177.7	-159.6	-8	110.3	A41 F47 P84 D85	A41-R45 PolarHBondContact N-O 3.22Å; R45-F47 HydrophobicContact CB-CE2 4Å; R45-F47 HydrophobicContact CB-CZ 4.49Å; R45-F47 HydrophobicContact CG-CE2 3.79Å; R45-F47 HydrophobicContact CG-CZ 3.9Å; R45-F47 WeakPolarHBondContact O-CD2 3.45Å; R45-P84 HydrophobicContact CB-CB 4.18Å; R45-D85 IonicContact NH1-OD1 2.89Å
46	D	90.8	Very high	88.6	Confident	67 Å²	67	38.1 Å²	38.1	36%	0.358	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.9	-177	-69.3	-20.8	0	0	0	112.2	T38 L39 R76	T38-D46 HydrophobicContact CG2-CB 3.74Å; L39-D46 CarbonylContact O-C 3.5Å; D46-R76 VanDerWaalsContact CG-NH1 3.33Å; D46-R76 IonicContact OD1-CZ 3.19Å; D46-R76 VanDerWaalsContact OD1-CZ 3.28Å; D46-R76 IonicContact OD1-NH1 3.54Å; D46-R76 PolarHBondContact OD1-NH1 3.29Å; D46-R76 IonicContact OD1-NH2 3.63Å; D46-R76 PolarHBondContact OD1-NH2 2.97Å; D46-R76 IonicContact OD2-CZ 2.81Å; D46-R76 IonicContact OD2-NH1 3.8Å; D46-R76 PolarHBondContact OD2-NH1 3.09Å; D46-R76 IonicContact OD2-NH2 3.74Å
47	F	91.8	Very high	88.6	Confident	10 Å²	10	36.1 Å²	36.1	4%	0.044	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	100.1	-179.8	-65.6	-89.3	0	0	0	110.6	L39 A41 R45 P84 L87 Q88 L91	L39-F47 HydrophobicContact CB-CB 4.35Å; L39-F47 PolarHBondContact N-O 3.13Å; L39-F47 PolarHBondContact O-N 3.39Å; A41-F47 HydrophobicContact CB-CD2 4.28Å; A41-F47 HydrophobicContact CB-CE2 3.8Å; R45-F47 HydrophobicContact CB-CE2 4Å; R45-F47 HydrophobicContact CB-CZ 4.49Å; R45-F47 HydrophobicContact CG-CE2 3.79Å; R45-F47 HydrophobicContact CG-CZ 3.9Å; R45-F47 WeakPolarHBondContact O-CD2 3.45Å; F47-P84 HydrophobicContact CE2-CB 4.16Å; F47-P84 HydrophobicContact CZ-CB 4.11Å; F47-P84 VanDerWaalsContact CZ-O 3.28Å; F47-P84 WeakPolarHBondContact CZ-O 3.2Å; F47-L87 HydrophobicContact CD2-CD2 3.68Å; F47-L87 HydrophobicContact CD2-CG 4.44Å; F47-L87 HydrophobicContact CE2-CD2 4.06Å; F47-L87 HydrophobicContact CG-CD2 4.26Å; F47-Q88 HydrophobicContact CE1-CB 3.76Å; F47-Q88 HydrophobicContact CE1-CG 4.08Å; F47-Q88 HydrophobicContact CZ-CB 4.29Å; F47-L91 HydrophobicContact CB-CD1 3.56Å; F47-L91 HydrophobicContact CD1-CD1 3.9Å; F47-L91 HydrophobicContact CG-CD1 3.87Å
48	P	92.4	Very high	88.8	Confident	35 Å²	35	36 Å²	36	23%	0.227	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.8	173.7	25.8	-30.5	0	0	0	111.6	R29 L35	R29-P48 PolarHBondContact NE-O 3.22Å; R29-P48 VanDerWaalsContact NE-O 3.16Å; L35-P48 HydrophobicContact CD1-CB 3.57Å; L35-P48 HydrophobicContact CD1-CG 4.23Å; L35-P48 HydrophobicContact CD2-CB 4.26Å; L35-P48 HydrophobicContact CG-CB 4.34Å
49	A	93.3	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	177.4	-177.9	0	0	0	0	0	112.4	D36 V37 L54	D36-A49 PolarHBondContact N-O 3.48Å; V37-A49 HydrophobicContact CG1-CB 4.28Å; V37-A49 PolarHBondContact N-O 2.84Å; V37-A49 PolarHBondContact O-N 3.12Å; A49-L54 HydrophobicContact CB-CD1 3.71Å; A49-L54 HydrophobicContact CB-CG 4.23Å
50	H	93.1	Very high	88.9	Confident	15 Å²	15	41 Å²	41	7%	0.069	28%	0.276	C	S	.	.			trans	-106.2	121.6	176	-54.9	87.5	0	0	0	109.7	K33 F34 D36 A52 V53 L54 Y95	K33-H50 PolarHBondContact O-NE2 3.32Å; K33-H50 VanDerWaalsContact O-NE2 3.11Å; F34-H50 PolarHBondContact O-CD2 3.19Å; D36-H50 WeakPolarHBondContact OD1-CA 3.5Å; H50-A52 VanDerWaalsContact C-N 3.26Å; H50-A52 PolarHBondContact O-N 3.26Å; H50-V53 HydrophobicContact CB-CB 4.27Å; H50-V53 HydrophobicContact CB-CG2 3.94Å; H50-V53 PolarHBondContact O-N 3.34Å; H50-V53 VanDerWaalsContact O-N 3.15Å; H50-L54 PolarHBondContact O-N 3.13Å; H50-L54 VanDerWaalsContact O-N 3.15Å; H50-Y95 VanDerWaalsContact CB-OH 3.29Å; H50-Y95 WeakPolarHBondContact CB-OH 3.3Å; H50-Y95 PolarHBondContact N-OH 3.37Å; H50-Y95 AromaticContact ND1-CE1 3.54Å; H50-Y95 AromaticContact ND1-CZ 3.55Å; H50-Y95 PolarHBondContact ND1-OH 3.31Å
51	R	90.6	Very high	89	Confident	36 Å²	36	39.9 Å²	39.9	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-41.4	-179	-64.7	168.6	92.8	101	11.9	111.8	D36 V37 V53 L54 A55 F65 E71 S72 A74	D36-R51 WeakPolarHBondContact OD1-CG 3.34Å; D36-R51 PolarHBondContact OD1-N 2.91Å; D36-R51 WeakPolarHBondContact OD2-CB 3.39Å; D36-R51 WeakPolarHBondContact OD2-CD 3.42Å; D36-R51 WeakPolarHBondContact OD2-CG 3.44Å; V37-R51 HydrophobicContact CB-CG 3.75Å; V37-R51 HydrophobicContact CG1-CG 3.68Å; R51-V53 PolarHBondContact O-N 2.86Å; R51-L54 PolarHBondContact O-N 3.39Å; R51-A55 WeakPolarHBondContact O-CB 3.23Å; R51-A55 PolarHBondContact O-N 3.1Å; R51-F65 HydrophobicContact CB-CD2 3.85Å; R51-F65 HydrophobicContact CB-CE2 4.18Å; R51-F65 HydrophobicContact CB-CG 4.27Å; R51-F65 HydrophobicContact CG-CD1 4.5Å; R51-F65 HydrophobicContact CG-CD2 4.14Å; R51-F65 HydrophobicContact CG-CE2 4.19Å; R51-F65 HydrophobicContact CG-CG 4.29Å; R51-F65 HydrophobicContact CG-CZ 4.38Å; R51-E71 PolarHBondContact NH2-O 2.85Å; R51-S72 PolarHBondContact NH2-O 3.09Å; R51-A74 PolarHBondContact NH1-O 3.1Å; R51-A74 VanDerWaalsContact NH1-O 3.16Å
52	A	89.7	Confident	89.1	Confident	75 Å²	75	47.5 Å²	47.5	62%	0.62	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-41.3	-179.7	0	0	0	0	0	112.6	H50 A56	H50-A52 VanDerWaalsContact C-N 3.26Å; H50-A52 PolarHBondContact O-N 3.26Å; A52-A56 VanDerWaalsContact O-CB 3.32Å; A52-A56 WeakPolarHBondContact O-CB 3.38Å; A52-A56 PolarHBondContact O-N 3.47Å
53	V	91.9	Very high	89.7	Confident	16 Å²	16	48.7 Å²	48.7	10%	0.097	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-44.5	178.9	179.7	0	0	0	0	110.4	L25 H50 R51 A56 A57 S94 Y95	L25-V53 HydrophobicContact CD1-CG2 4.01Å; L25-V53 HydrophobicContact CD2-CG2 4.29Å; H50-V53 HydrophobicContact CB-CB 4.27Å; H50-V53 HydrophobicContact CB-CG2 3.94Å; H50-V53 PolarHBondContact O-N 3.34Å; H50-V53 VanDerWaalsContact O-N 3.15Å; R51-V53 PolarHBondContact O-N 2.86Å; V53-A56 PolarHBondContact O-N 3.41Å; V53-A57 WeakPolarHBondContact O-CB 3.35Å; V53-A57 PolarHBondContact O-N 3.21Å; V53-S94 WeakPolarHBondContact CG1-O 3.22Å; V53-Y95 HydrophobicContact CB-CE1 3.98Å; V53-Y95 HydrophobicContact CG1-CD1 4.02Å; V53-Y95 HydrophobicContact CG1-CD2 4.43Å; V53-Y95 HydrophobicContact CG1-CE1 3.73Å; V53-Y95 HydrophobicContact CG1-CE2 4.15Å; V53-Y95 HydrophobicContact CG1-CG 4.35Å; V53-Y95 HydrophobicContact CG2-CE1 3.8Å
54	L	91.9	Very high	90.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-42.7	178.6	-64	-179.3	0	0	0	112.6	V37 L39 A49 H50 R51 A56 A57 S58 F61 F65 L91	V37-L54 HydrophobicContact CG1-CD1 4.27Å; L39-L54 HydrophobicContact CD1-CD1 3.88Å; L39-L54 HydrophobicContact CG-CD1 4.48Å; A49-L54 HydrophobicContact CB-CD1 3.71Å; A49-L54 HydrophobicContact CB-CG 4.23Å; H50-L54 PolarHBondContact O-N 3.13Å; H50-L54 VanDerWaalsContact O-N 3.15Å; R51-L54 PolarHBondContact O-N 3.39Å; L54-A56 VanDerWaalsContact C-N 3.27Å; L54-A56 PolarHBondContact O-N 3.42Å; L54-A57 PolarHBondContact O-N 2.97Å; L54-S58 PolarHBondContact O-N 3.17Å; L54-F61 HydrophobicContact CB-CB 3.91Å; L54-F61 HydrophobicContact CB-CD2 3.91Å; L54-F61 HydrophobicContact CB-CG 3.94Å; L54-F61 HydrophobicContact CD2-CD2 4.39Å; L54-F61 HydrophobicContact CD2-CE2 4.41Å; L54-F65 HydrophobicContact CB-CE2 3.98Å; L54-F65 HydrophobicContact CD1-CE2 4.03Å; L54-F65 HydrophobicContact CD1-CZ 4.38Å; L54-L91 HydrophobicContact CD1-CD2 4.38Å; L54-L91 HydrophobicContact CD2-CD2 3.36Å; L54-L91 HydrophobicContact CG-CD2 4.48Å
55	A	91.3	Very high	90.7	Very high	21 Å²	21	44.6 Å²	44.6	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-28.1	176.1	0	0	0	0	0	112.9	R51 R62 F65	R51-A55 WeakPolarHBondContact O-CB 3.23Å; R51-A55 PolarHBondContact O-N 3.1Å; A55-R62 HydrophobicContact CB-CB 4.19Å; A55-R62 HydrophobicContact CB-CG 4.38Å; A55-R62 WeakPolarHBondContact O-CB 3.25Å; A55-F65 HydrophobicContact CB-CD2 4.49Å
56	A	91.1	Very high	90.4	Very high	88 Å²	88	43.3 Å²	43.3	73%	0.727	27%	0.267	S	S	*	.	H	α-helix	trans	-76.2	-37.2	172.5	0	0	0	0	0	112	A52 V53 L54	A52-A56 VanDerWaalsContact O-CB 3.32Å; A52-A56 WeakPolarHBondContact O-CB 3.38Å; A52-A56 PolarHBondContact O-N 3.47Å; V53-A56 PolarHBondContact O-N 3.41Å; L54-A56 VanDerWaalsContact C-N 3.27Å; L54-A56 PolarHBondContact O-N 3.42Å
57	A	90.7	Very high	89.5	Confident	34 Å²	34	41.5 Å²	41.5	28%	0.281	27%	0.265	S	S	.	.	H	α-helix	trans	-82.7	-27.5	-175.1	0	0	0	0	0	114.1	V53 L54 F118	V53-A57 WeakPolarHBondContact O-CB 3.35Å; V53-A57 PolarHBondContact O-N 3.21Å; L54-A57 PolarHBondContact O-N 2.97Å; A57-F118 HydrophobicContact CB-CE1 3.99Å
58	S	93.7	Very high	88.2	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	31%	0.307	C	S	.	.			trans	-139.8	131.3	-177.2	150.9	0	0	0	0	112.5	L54 Y60 F61 R62 L116	L54-S58 PolarHBondContact O-N 3.17Å; S58-Y60 VanDerWaalsContact C-N 3.25Å; S58-Y60 PolarHBondContact O-N 3.16Å; S58-Y60 WeakPolarHBondContact OG-CB 3.35Å; S58-Y60 PolarHBondContact OG-N 3.05Å; S58-F61 PolarHBondContact O-N 3.02Å; S58-F61 PolarHBondContact OG-N 2.68Å; S58-R62 PolarHBondContact O-N 2.65Å; S58-L116 WeakPolarHBondContact CB-O 3.49Å; S58-L116 PolarHBondContact OG-O 3.25Å
59	P	93	Very high	87.1	Confident	71 Å²	71	54.1 Å²	54.1	46%	0.461	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-27.4	175	-16.4	29.6	0	0	0	113.4	R62 A63 Q117	P59-R62 WeakPolarHBondContact O-CB 2.98Å; P59-R62 PolarHBondContact O-N 3.06Å; P59-A63 WeakPolarHBondContact O-CB 3.44Å; P59-A63 PolarHBondContact O-N 2.88Å; P59-Q117 WeakPolarHBondContact CD-O 3.45Å
60	Y	91.6	Very high	85.7	Confident	74 Å²	74	64.7 Å²	64.7	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-51.5	174.9	175.4	-92.5	0	0	0	111.1	S58 R62 A63 M64 L79 L116	S58-Y60 VanDerWaalsContact C-N 3.25Å; S58-Y60 PolarHBondContact O-N 3.16Å; S58-Y60 WeakPolarHBondContact OG-CB 3.35Å; S58-Y60 PolarHBondContact OG-N 3.05Å; Y60-R62 VanDerWaalsContact C-N 3.3Å; Y60-R62 PolarHBondContact O-N 3.32Å; Y60-A63 PolarHBondContact O-N 3.21Å; Y60-M64 HydrophobicContact CD1-CE 4.33Å; Y60-M64 HydrophobicContact CE1-CE 3.36Å; Y60-M64 WeakPolarHBondContact O-CB 3.33Å; Y60-M64 PolarHBondContact O-N 3Å; Y60-M64 WeakPolarHBondContact OH-CE 3.45Å; Y60-L79 HydrophobicContact CE1-CD2 4.21Å; Y60-L116 WeakPolarHBondContact CB-O 3.23Å; Y60-L116 HydrophobicContact CD1-CD2 3.69Å; Y60-L116 HydrophobicContact CE1-CD2 3.57Å; Y60-L116 HydrophobicContact CG-CD2 4.41Å
61	F	90.9	Very high	84.5	Confident	1 Å²	1	67.8 Å²	67.8	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-68	-32.6	176.9	-69.5	-56	0	0	0	112	L39 L54 S58 M64 F65 L79 L116 F118	L39-F61 HydrophobicContact CD1-CE1 4.08Å; L39-F61 HydrophobicContact CD1-CZ 3.95Å; L39-F61 HydrophobicContact CD2-CE1 4.18Å; L54-F61 HydrophobicContact CB-CB 3.91Å; L54-F61 HydrophobicContact CB-CD2 3.91Å; L54-F61 HydrophobicContact CB-CG 3.94Å; L54-F61 HydrophobicContact CD2-CD2 4.39Å; L54-F61 HydrophobicContact CD2-CE2 4.41Å; S58-F61 PolarHBondContact O-N 3.02Å; S58-F61 PolarHBondContact OG-N 2.68Å; F61-M64 HydrophobicContact CD1-SD 4.28Å; F61-M64 PolarHBondContact O-N 3.44Å; F61-F65 HydrophobicContact CB-CD2 4.12Å; F61-F65 HydrophobicContact CB-CE2 3.9Å; F61-F65 HydrophobicContact CD1-CE2 4.03Å; F61-F65 HydrophobicContact CD1-CZ 4.07Å; F61-F65 HydrophobicContact CG-CE2 4.24Å; F61-F65 WeakPolarHBondContact O-CB 3.28Å; F61-F65 VanDerWaalsContact O-CD2 3.27Å; F61-F65 WeakPolarHBondContact O-CD2 3.46Å; F61-F65 WeakPolarHBondContact O-CG 3.44Å; F61-F65 PolarHBondContact O-N 2.97Å; F61-L79 HydrophobicContact CE1-CD1 4.36Å; F61-L79 HydrophobicContact CE1-CD2 4.42Å; F61-L79 HydrophobicContact CZ-CD1 4.21Å; F61-L116 HydrophobicContact CE2-CD1 4.44Å; F61-L116 HydrophobicContact CZ-CD1 4.16Å; F61-L116 HydrophobicContact CZ-CD2 4.03Å; F61-F118 HydrophobicContact CD2-CE2 4.48Å; F61-F118 HydrophobicContact CD2-CZ 4.44Å; F61-F118 HydrophobicContact CE2-CE2 4.01Å; F61-F118 HydrophobicContact CE2-CZ 4.2Å
62	R	89.8	Confident	83.4	Confident	165 Å²	165	67.3 Å²	67.3	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-59.5	-48.6	173	-166.5	173.8	-179.6	164.1	0.4	111.5	A55 S58 P59 Y60 A66	A55-R62 HydrophobicContact CB-CB 4.19Å; A55-R62 HydrophobicContact CB-CG 4.38Å; A55-R62 WeakPolarHBondContact O-CB 3.25Å; S58-R62 PolarHBondContact O-N 2.65Å; P59-R62 WeakPolarHBondContact O-CB 2.98Å; P59-R62 PolarHBondContact O-N 3.06Å; Y60-R62 VanDerWaalsContact C-N 3.3Å; Y60-R62 PolarHBondContact O-N 3.32Å; R62-A66 WeakPolarHBondContact O-CB 3.33Å; R62-A66 PolarHBondContact O-N 3.45Å
63	A	87.8	Confident	82.5	Confident	69 Å²	69	74.5 Å²	74.5	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-63.7	-41.8	177.9	0	0	0	0	0	111.7	P59 Y60 G67	P59-A63 WeakPolarHBondContact O-CB 3.44Å; P59-A63 PolarHBondContact O-N 2.88Å; Y60-A63 PolarHBondContact O-N 3.21Å; A63-G67 PolarHBondContact O-N 3.45Å
64	M	86.6	Confident	81.9	Confident	20 Å²	20	75.2 Å²	75.2	10%	0.099	40%	0.399	C	S	.	.	H	α-helix	trans	-62.8	-45	178.3	-177.6	-175.8	-76.3	0	0	112.7	Y60 F61 E71 V77 L79	Y60-M64 HydrophobicContact CD1-CE 4.33Å; Y60-M64 HydrophobicContact CE1-CE 3.36Å; Y60-M64 WeakPolarHBondContact O-CB 3.33Å; Y60-M64 PolarHBondContact O-N 3Å; Y60-M64 WeakPolarHBondContact OH-CE 3.45Å; F61-M64 HydrophobicContact CD1-SD 4.28Å; F61-M64 PolarHBondContact O-N 3.44Å; M64-E71 HydrophobicContact CG-CB 3.85Å; M64-E71 HydrophobicContact SD-CB 4.41Å; M64-V77 HydrophobicContact CE-CG1 4.07Å; M64-V77 HydrophobicContact SD-CG1 3.71Å; M64-V77 HydrophobicContact SD-CG2 4.48Å; M64-L79 HydrophobicContact CE-CD2 4.38Å
65	F	85.8	Confident	81.3	Confident	24 Å²	24	83.1 Å²	83.1	11%	0.105	44%	0.436	C	S	.	.	H	α-helix	trans	-90	-28.8	-173.4	-59.9	-33.6	0	0	0	114.2	V37 R51 L54 A55 F61 V77	V37-F65 HydrophobicContact CG1-CZ 4.25Å; V37-F65 HydrophobicContact CG2-CE1 4.18Å; V37-F65 HydrophobicContact CG2-CZ 4.09Å; R51-F65 HydrophobicContact CB-CD2 3.85Å; R51-F65 HydrophobicContact CB-CE2 4.18Å; R51-F65 HydrophobicContact CB-CG 4.27Å; R51-F65 HydrophobicContact CG-CD1 4.5Å; R51-F65 HydrophobicContact CG-CD2 4.14Å; R51-F65 HydrophobicContact CG-CE2 4.19Å; R51-F65 HydrophobicContact CG-CG 4.29Å; R51-F65 HydrophobicContact CG-CZ 4.38Å; L54-F65 HydrophobicContact CB-CE2 3.98Å; L54-F65 HydrophobicContact CD1-CE2 4.03Å; L54-F65 HydrophobicContact CD1-CZ 4.38Å; A55-F65 HydrophobicContact CB-CD2 4.49Å; F61-F65 HydrophobicContact CB-CD2 4.12Å; F61-F65 HydrophobicContact CB-CE2 3.9Å; F61-F65 HydrophobicContact CD1-CE2 4.03Å; F61-F65 HydrophobicContact CD1-CZ 4.07Å; F61-F65 HydrophobicContact CG-CE2 4.24Å; F61-F65 WeakPolarHBondContact O-CB 3.28Å; F61-F65 VanDerWaalsContact O-CD2 3.27Å; F61-F65 WeakPolarHBondContact O-CD2 3.46Å; F61-F65 WeakPolarHBondContact O-CG 3.44Å; F61-F65 PolarHBondContact O-N 2.97Å; F65-V77 HydrophobicContact CE1-CG2 4.38Å
66	A	80.3	Confident	81.1	Confident	86 Å²	86	87.8 Å²	87.8	71%	0.711	45%	0.449	S	S	*	.	H	α-helix	trans	-86.4	-9.8	177.1	0	0	0	0	0	113.4	R62	R62-A66 WeakPolarHBondContact O-CB 3.33Å; R62-A66 PolarHBondContact O-N 3.45Å
67	G	71.8	Confident	80.9	Confident	30 Å²	30	83.9 Å²	83.9	31%	0.309	42%	0.416	S	S	.	.	S	Bend	trans	-82.2	178.8	179.2	0	0	0	0	0	115	A63 S72	A63-G67 PolarHBondContact O-N 3.45Å; G67-S72 WeakPolarHBondContact O-CB 3.42Å; G67-S72 PolarHBondContact O-OG 3.49Å
68	Q	64.7	Low	80.7	Confident	201 Å²	201	90 Å²	90	94%	0.939	43%	0.432	S	S	*	.	S	Bend	trans	-93.7	14.2	176.1	-62.6	-174.4	-0.1	0	0	113.8
69	L	69.2	Low	80.4	Confident	109 Å²	109	90.2 Å²	90.2	57%	0.571	43%	0.432	S	S	*	.	S	Bend	trans	-75.3	162.9	-177.2	-63.5	172.3	0	0	0	112.2	E71 S72	L69-E71 WeakPolarHBondContact CB-OE2 3.43Å; L69-E71 PolarHBondContact O-N 2.94Å; L69-S72 WeakPolarHBondContact O-CB 3.32Å; L69-S72 PolarHBondContact O-N 3.25Å; L69-S72 PolarHBondContact O-OG 3.28Å
70	R	64.6	Low	80	Confident	221 Å²	221	94.4 Å²	94.4	83%	0.834	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-59.9	-33.3	-178.4	-80.8	-179.2	74	102.5	-3.3	112.1	S72 R73 A74	R70-S72 PolarHBondContact O-N 2.88Å; R70-R73 PolarHBondContact O-N 2.91Å; R70-R73 VanDerWaalsContact O-N 3.09Å; R70-A74 PolarHBondContact O-N 3.16Å; R70-A74 VanDerWaalsContact O-N 3.1Å
71	E	67.1	Low	79.6	Confident	81 Å²	81	94.1 Å²	94.1	38%	0.379	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.2	177.1	-62.9	77.6	-174.3	0	0	111.9	R51 M64 L69 R73 A74 V77	R51-E71 PolarHBondContact NH2-O 2.85Å; M64-E71 HydrophobicContact CG-CB 3.85Å; M64-E71 HydrophobicContact SD-CB 4.41Å; L69-E71 WeakPolarHBondContact CB-OE2 3.43Å; L69-E71 PolarHBondContact O-N 2.94Å; E71-R73 PolarHBondContact O-N 2.99Å; E71-A74 PolarHBondContact O-N 3.3Å; E71-V77 HydrophobicContact CB-CG2 4.43Å
72	S	67.9	Low	79.5	Confident	25 Å²	25	94.1 Å²	94.1	18%	0.175	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-70.4	-17.1	175.5	80.6	0	0	0	0	113.1	R51 G67 L69 R70	R51-S72 PolarHBondContact NH2-O 3.09Å; G67-S72 WeakPolarHBondContact O-CB 3.42Å; G67-S72 PolarHBondContact O-OG 3.49Å; L69-S72 WeakPolarHBondContact O-CB 3.32Å; L69-S72 PolarHBondContact O-N 3.25Å; L69-S72 PolarHBondContact O-OG 3.28Å; R70-S72 PolarHBondContact O-N 2.88Å
73	R	71.3	Confident	79.6	Confident	227 Å²	227	88.7 Å²	88.7	86%	0.857	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-4.5	177.5	-59.5	-177.3	-177.2	-178.9	1.2	113.8	R70 E71	R70-R73 PolarHBondContact O-N 2.91Å; R70-R73 VanDerWaalsContact O-N 3.09Å; E71-R73 PolarHBondContact O-N 2.99Å
74	A	78.3	Confident	79.8	Confident	30 Å²	30	87 Å²	87	25%	0.248	44%	0.435	C	S	.	.			trans	-79.8	135.4	179.4	0	0	0	0	0	110.8	R51 R70 E71 R76	R51-A74 PolarHBondContact NH1-O 3.1Å; R51-A74 VanDerWaalsContact NH1-O 3.16Å; R70-A74 PolarHBondContact O-N 3.16Å; R70-A74 VanDerWaalsContact O-N 3.1Å; E71-A74 PolarHBondContact O-N 3.3Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 WeakPolarHBondContact CB-O 3.37Å
75	E	80.1	Confident	80	Confident	166 Å²	166	90.5 Å²	90.5	78%	0.776	45%	0.454	S	S	*	.	S	Bend	trans	-75.7	-24.2	170.7	-67.2	-177.2	168.8	0	0	111.9	T38	T38-E75 PolarHBondContact N-O 3.21Å
76	R	85.9	Confident	80.4	Confident	120 Å²	120	90.4 Å²	90.4	45%	0.453	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.1	177.1	-104.8	174.7	99.3	108.3	5.9	110.9	T38 E40 D46 A74	T38-R76 HydrophobicContact CG2-CG 4.38Å; T38-R76 WeakPolarHBondContact O-CA 3.35Å; E40-R76 IonicContact OE1-NH2 2.66Å; E40-R76 IonicContact OE2-CZ 3.55Å; E40-R76 IonicContact OE2-NE 3.22Å; E40-R76 PolarHBondContact OE2-NE 3.23Å; E40-R76 IonicContact OE2-NH2 3.22Å; E40-R76 PolarHBondContact OE2-NH2 2.83Å; D46-R76 VanDerWaalsContact CG-NH1 3.33Å; D46-R76 IonicContact OD1-CZ 3.19Å; D46-R76 VanDerWaalsContact OD1-CZ 3.28Å; D46-R76 IonicContact OD1-NH1 3.54Å; D46-R76 PolarHBondContact OD1-NH1 3.29Å; D46-R76 IonicContact OD1-NH2 3.63Å; D46-R76 PolarHBondContact OD1-NH2 2.97Å; D46-R76 IonicContact OD2-CZ 2.81Å; D46-R76 IonicContact OD2-NH1 3.8Å; D46-R76 PolarHBondContact OD2-NH1 3.09Å; D46-R76 IonicContact OD2-NH2 3.74Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 WeakPolarHBondContact CB-O 3.37Å
77	V	87.7	Confident	81	Confident	6 Å²	6	86.3 Å²	86.3	4%	0.036	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.4	176.2	179.2	0	0	0	0	109.5	V37 T38 L39 E40 M64 F65 E71 L79	V37-V77 HydrophobicContact CG2-CG2 4.11Å; T38-V77 PolarHBondContact O-N 2.69Å; L39-V77 CarbonylContact C-O 3.55Å; L39-V77 WeakPolarHBondContact CA-O 3.26Å; L39-V77 HydrophobicContact CD2-CB 3.99Å; L39-V77 HydrophobicContact CD2-CG1 4.41Å; E40-V77 PolarHBondContact N-O 3.33Å; M64-V77 HydrophobicContact CE-CG1 4.07Å; M64-V77 HydrophobicContact SD-CG1 3.71Å; M64-V77 HydrophobicContact SD-CG2 4.48Å; F65-V77 HydrophobicContact CE1-CG2 4.38Å; E71-V77 HydrophobicContact CB-CG2 4.43Å; V77-L79 HydrophobicContact CG1-CD2 4.44Å
78	R	87.1	Confident	82	Confident	162 Å²	162	88 Å²	88	61%	0.611	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.4	176.7	-75.2	178.8	175.2	172.7	-2.4	110.6	E40	E40-R78 HydrophobicContact CB-CG 3.96Å; E40-R78 VanDerWaalsContact CD-NE 3.3Å; E40-R78 HydrophobicContact CG-CG 4.14Å; E40-R78 IonicContact OE1-CZ 3.74Å; E40-R78 IonicContact OE1-NE 3.6Å; E40-R78 PolarHBondContact OE1-NE 3.49Å; E40-R78 IonicContact OE1-NH2 2.87Å; E40-R78 VanDerWaalsContact OE2-CG 3.29Å; E40-R78 WeakPolarHBondContact OE2-CG 3.45Å; E40-R78 IonicContact OE2-CZ 2.85Å; E40-R78 IonicContact OE2-NE 2.69Å; E40-R78 PolarHBondContact OE2-NE 3.33Å; E40-R78 IonicContact OE2-NH2 2.74Å
79	L	87.3	Confident	83.4	Confident	6 Å²	6	80.4 Å²	80.4	3%	0.031	39%	0.386	C	S	.	.			trans	-99.4	115.9	174.5	-63.4	177.9	0	0	0	109.4	L39 E40 Y60 F61 M64 V77 V82 L87 L116	L39-L79 HydrophobicContact CB-CD1 4.36Å; L39-L79 HydrophobicContact CD1-CD1 4.19Å; L39-L79 HydrophobicContact CD2-CD1 4.46Å; E40-L79 PolarHBondContact O-N 3.27Å; Y60-L79 HydrophobicContact CE1-CD2 4.21Å; F61-L79 HydrophobicContact CE1-CD1 4.36Å; F61-L79 HydrophobicContact CE1-CD2 4.42Å; F61-L79 HydrophobicContact CZ-CD1 4.21Å; M64-L79 HydrophobicContact CE-CD2 4.38Å; V77-L79 HydrophobicContact CG1-CD2 4.44Å; L79-V82 HydrophobicContact CB-CG2 4.49Å; L79-L87 HydrophobicContact CD1-CD1 3.73Å; L79-L87 HydrophobicContact CD1-CD2 3.96Å; L79-L116 HydrophobicContact CD1-CD1 4.47Å; L79-L116 HydrophobicContact CD1-CD2 4.36Å; L79-L116 HydrophobicContact CD2-CD2 4.29Å
80	H	84.3	Confident	84.7	Confident	159 Å²	159	75.3 Å²	75.3	74%	0.736	36%	0.359	S	S	*	.	S	Bend	trans	-84.8	137.2	176.9	-63.5	-68.8	0	0	0	110.6	V82	H80-V82 PolarHBondContact O-N 3.49Å
81	G	82.5	Confident	86	Confident	68 Å²	68	64.8 Å²	64.8	70%	0.701	32%	0.319	S	S	*	.	S	Bend	trans	80.5	4.9	171.9	0	0	0	0	0	116.2
82	V	89.9	Confident	87.2	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	32%	0.316	C	S	.	.			trans	-104.7	118.8	176.9	-172.7	0	0	0	0	110.5	A42 L79 H80 L87 A112 L115 L116	A42-V82 WeakPolarHBondContact CB-O 3.38Å; A42-V82 PolarHBondContact N-O 2.9Å; L79-V82 HydrophobicContact CB-CG2 4.49Å; H80-V82 PolarHBondContact O-N 3.49Å; V82-L87 HydrophobicContact CG1-CB 3.84Å; V82-L87 HydrophobicContact CG1-CD1 4.42Å; V82-A112 HydrophobicContact CG1-CB 4.01Å; V82-L115 HydrophobicContact CG2-CD2 3.71Å; V82-L116 HydrophobicContact CG1-CD1 4.46Å; V82-L116 HydrophobicContact CG2-CD1 4.28Å; V82-L116 HydrophobicContact CG2-CG 4.4Å
83	P	91.6	Very high	88.5	Confident	51 Å²	51	64.5 Å²	64.5	33%	0.331	32%	0.316	S	S	.	.			trans	-61.4	143.5	172.8	-20	31.2	0	0	0	111.5	D85 M86 L87	P83-D85 VanDerWaalsContact C-N 3.28Å; P83-D85 PolarHBondContact O-N 3.11Å; P83-M86 HydrophobicContact CB-CB 4.43Å; P83-M86 HydrophobicContact CB-CG 4.06Å; P83-M86 HydrophobicContact CG-CG 4.1Å; P83-M86 PolarHBondContact O-N 3.01Å; P83-L87 PolarHBondContact O-N 2.81Å
84	P	91	Very high	89.5	Confident	34 Å²	34	54.1 Å²	54.1	22%	0.221	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-36.3	-175.3	23.3	-32.3	0	0	0	112.7	A41 R45 F47 L87 Q88	A41-P84 HydrophobicContact CB-CB 4.02Å; R45-P84 HydrophobicContact CB-CB 4.18Å; F47-P84 HydrophobicContact CE2-CB 4.16Å; F47-P84 HydrophobicContact CZ-CB 4.11Å; F47-P84 VanDerWaalsContact CZ-O 3.28Å; F47-P84 WeakPolarHBondContact CZ-O 3.2Å; P84-L87 PolarHBondContact O-N 3.4Å; P84-Q88 PolarHBondContact O-N 2.85Å
85	D	92	Very high	90.2	Very high	94 Å²	94	52.8 Å²	52.8	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-70.7	-36.9	-178.8	-56	-34.9	0	0	0	111.7	R45 P83 Q88 L89	R45-D85 IonicContact NH1-OD1 2.89Å; P83-D85 VanDerWaalsContact C-N 3.28Å; P83-D85 PolarHBondContact O-N 3.11Å; D85-Q88 PolarHBondContact O-N 2.98Å; D85-L89 WeakPolarHBondContact O-CG 3.35Å; D85-L89 PolarHBondContact O-N 3.17Å; D85-L89 VanDerWaalsContact O-N 3.13Å
86	M	94.4	Very high	90.7	Very high	21 Å²	21	47.8 Å²	47.8	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-39.4	175.2	-57.7	-52.9	124.2	0	0	111.4	P83 Q88 L89 L90 N105 P108 L109 A112	P83-M86 HydrophobicContact CB-CB 4.43Å; P83-M86 HydrophobicContact CB-CG 4.06Å; P83-M86 HydrophobicContact CG-CG 4.1Å; P83-M86 PolarHBondContact O-N 3.01Å; M86-Q88 VanDerWaalsContact C-N 3.29Å; M86-Q88 PolarHBondContact O-N 3.28Å; M86-L89 PolarHBondContact O-N 3.38Å; M86-L89 HydrophobicContact SD-CD1 4.26Å; M86-L90 WeakPolarHBondContact O-CG 3.41Å; M86-L90 PolarHBondContact O-N 3.47Å; M86-N105 HydrophobicContact CE-CB 3.88Å; M86-N105 HydrophobicContact SD-CB 4.18Å; M86-P108 HydrophobicContact CE-CG 4.11Å; M86-P108 HydrophobicContact CG-CB 3.99Å; M86-P108 HydrophobicContact CG-CG 4.49Å; M86-P108 HydrophobicContact SD-CB 4.17Å; M86-P108 HydrophobicContact SD-CG 4.05Å; M86-L109 HydrophobicContact CB-CD1 4.45Å; M86-L109 HydrophobicContact SD-CB 3.7Å; M86-L109 HydrophobicContact SD-CD1 4.25Å; M86-A112 HydrophobicContact CB-CB 3.96Å
87	L	93.3	Very high	90.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-41.9	174.2	-174.8	61.8	0	0	0	110.7	L39 A41 F47 L79 V82 P83 P84 L89 L90 L91 L116	L39-L87 HydrophobicContact CB-CD2 4.27Å; L39-L87 HydrophobicContact CD1-CD1 4.45Å; A41-L87 HydrophobicContact CB-CD2 3.81Å; F47-L87 HydrophobicContact CD2-CD2 3.68Å; F47-L87 HydrophobicContact CD2-CG 4.44Å; F47-L87 HydrophobicContact CE2-CD2 4.06Å; F47-L87 HydrophobicContact CG-CD2 4.26Å; L79-L87 HydrophobicContact CD1-CD1 3.73Å; L79-L87 HydrophobicContact CD1-CD2 3.96Å; V82-L87 HydrophobicContact CG1-CB 3.84Å; V82-L87 HydrophobicContact CG1-CD1 4.42Å; P83-L87 PolarHBondContact O-N 2.81Å; P84-L87 PolarHBondContact O-N 3.4Å; L87-L89 VanDerWaalsContact C-N 3.35Å; L87-L89 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 3.38Å; L87-L91 HydrophobicContact CD1-CD1 4.42Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CG-CD1 3.96Å; L87-L91 HydrophobicContact CG-CG 4.28Å; L87-L91 WeakPolarHBondContact O-CB 3.48Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 3.21Å; L87-L116 HydrophobicContact CD1-CD1 3.84Å
88	Q	92.5	Very high	91	Very high	65 Å²	65	53.1 Å²	53.1	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-58.3	-47.3	176.3	-168.5	178	-42.2	0	0	111.4	F47 P84 D85 M86 L90 L91 D92	F47-Q88 HydrophobicContact CE1-CB 3.76Å; F47-Q88 HydrophobicContact CE1-CG 4.08Å; F47-Q88 HydrophobicContact CZ-CB 4.29Å; P84-Q88 PolarHBondContact O-N 2.85Å; D85-Q88 PolarHBondContact O-N 2.98Å; M86-Q88 VanDerWaalsContact C-N 3.29Å; M86-Q88 PolarHBondContact O-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.34Å; Q88-L91 PolarHBondContact O-N 3.36Å; Q88-D92 WeakPolarHBondContact O-CB 3.35Å; Q88-D92 PolarHBondContact O-N 2.94Å
89	L	94.3	Very high	91.3	Very high	43 Å²	43	47.3 Å²	47.3	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-42	178	-70.3	172.2	0	0	0	113	D85 M86 L87 D92 F93 V99 L109	D85-L89 WeakPolarHBondContact O-CG 3.35Å; D85-L89 PolarHBondContact O-N 3.17Å; D85-L89 VanDerWaalsContact O-N 3.13Å; M86-L89 PolarHBondContact O-N 3.38Å; M86-L89 HydrophobicContact SD-CD1 4.26Å; L87-L89 VanDerWaalsContact C-N 3.35Å; L87-L89 PolarHBondContact O-N 2.91Å; L89-D92 PolarHBondContact O-N 3.38Å; L89-F93 WeakPolarHBondContact O-CB 3.44Å; L89-F93 PolarHBondContact O-N 2.92Å; L89-V99 HydrophobicContact CB-CG2 4.34Å; L89-L109 HydrophobicContact CB-CD1 4.15Å; L89-L109 HydrophobicContact CD1-CD1 4.42Å; L89-L109 HydrophobicContact CD1-CD2 4.42Å
90	L	94.6	Very high	91.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-68.7	-36.8	177.6	-67.6	174.9	0	0	0	112.3	M86 L87 Q88 S94 L109 A112 A113 L116 F118 V121	M86-L90 WeakPolarHBondContact O-CG 3.41Å; M86-L90 PolarHBondContact O-N 3.47Å; L87-L90 PolarHBondContact O-N 3.38Å; Q88-L90 PolarHBondContact O-N 3.34Å; L90-S94 PolarHBondContact O-N 3.49Å; L90-S94 PolarHBondContact O-OG 3.42Å; L90-L109 HydrophobicContact CD2-CD1 3.94Å; L90-L109 HydrophobicContact CG-CD1 4Å; L90-A112 HydrophobicContact CD1-CB 3.81Å; L90-A113 HydrophobicContact CD2-CB 4.17Å; L90-L116 HydrophobicContact CD1-CD1 3.85Å; L90-F118 HydrophobicContact CB-CD2 4.43Å; L90-F118 HydrophobicContact CB-CE2 4.18Å; L90-F118 HydrophobicContact CB-CZ 4.48Å; L90-F118 HydrophobicContact CD1-CD2 4.18Å; L90-F118 HydrophobicContact CD1-CE2 4.43Å; L90-F118 HydrophobicContact CD2-CB 4.17Å; L90-F118 HydrophobicContact CD2-CD2 3.99Å; L90-F118 HydrophobicContact CD2-CG 4.04Å; L90-F118 HydrophobicContact CG-CD2 4.44Å; L90-V121 HydrophobicContact CD2-CB 4.16Å; L90-V121 HydrophobicContact CD2-CG1 3.85Å; L90-V121 HydrophobicContact CD2-CG2 4.13Å
91	L	92.9	Very high	91.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-46.9	173.5	-68.5	174.3	0	0	0	110.5	L39 F47 L54 L87 Q88 F93 S94 Y95	L39-L91 HydrophobicContact CD1-CD1 4.49Å; L39-L91 HydrophobicContact CD1-CD2 3.93Å; F47-L91 HydrophobicContact CB-CD1 3.56Å; F47-L91 HydrophobicContact CD1-CD1 3.9Å; F47-L91 HydrophobicContact CG-CD1 3.87Å; L54-L91 HydrophobicContact CD1-CD2 4.38Å; L54-L91 HydrophobicContact CD2-CD2 3.36Å; L54-L91 HydrophobicContact CG-CD2 4.48Å; L87-L91 HydrophobicContact CD1-CD1 4.42Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CG-CD1 3.96Å; L87-L91 HydrophobicContact CG-CG 4.28Å; L87-L91 WeakPolarHBondContact O-CB 3.48Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 3.21Å; Q88-L91 PolarHBondContact O-N 3.36Å; L91-F93 VanDerWaalsContact C-N 3.27Å; L91-F93 PolarHBondContact O-N 3.05Å; L91-S94 WeakPolarHBondContact O-CA 3.43Å; L91-S94 VanDerWaalsContact O-CB 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.44Å; L91-S94 PolarHBondContact O-N 2.75Å; L91-Y95 VanDerWaalsContact O-CD2 3.25Å; L91-Y95 WeakPolarHBondContact O-CD2 3.3Å; L91-Y95 PolarHBondContact O-N 2.9Å
92	D	92.5	Very high	92.4	Very high	57 Å²	57	43.8 Å²	43.8	31%	0.305	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-37.3	179	-65.6	-12.5	0	0	0	111	R29 Q88 L89 S94 Y95 T96	R29-D92 IonicContact NH1-OD1 2.98Å; R29-D92 PolarHBondContact NH1-OD1 2.96Å; R29-D92 VanDerWaalsContact NH1-OD1 3.12Å; Q88-D92 WeakPolarHBondContact O-CB 3.35Å; Q88-D92 PolarHBondContact O-N 2.94Å; L89-D92 PolarHBondContact O-N 3.38Å; D92-S94 PolarHBondContact O-N 2.82Å; D92-Y95 PolarHBondContact O-N 3.23Å; D92-T96 WeakPolarHBondContact O-CB 3.41Å; D92-T96 WeakPolarHBondContact O-CG2 3.5Å; D92-T96 PolarHBondContact O-N 3.11Å; D92-T96 PolarHBondContact O-OG1 2.96Å
93	F	94.4	Very high	92.3	Very high	42 Å²	42	46.3 Å²	46.3	18%	0.184	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-43.8	168.3	176	-98.2	0	0	0	112.6	L89 L91 Y95 T96 G97 R98 V99 F118 A120 V121	L89-F93 WeakPolarHBondContact O-CB 3.44Å; L89-F93 PolarHBondContact O-N 2.92Å; L91-F93 VanDerWaalsContact C-N 3.27Å; L91-F93 PolarHBondContact O-N 3.05Å; F93-Y95 PolarHBondContact O-N 2.93Å; F93-T96 PolarHBondContact O-N 2.56Å; F93-G97 WeakPolarHBondContact O-CA 3.5Å; F93-G97 PolarHBondContact O-N 3.42Å; F93-R98 WeakPolarHBondContact CA-O 3.47Å; F93-V99 HydrophobicContact CB-CB 4.42Å; F93-V99 HydrophobicContact CD2-CB 4.18Å; F93-V99 HydrophobicContact CD2-CG1 4.33Å; F93-F118 AromaticContact CD1-CD1 3.89Å; F93-F118 HydrophobicContact CD1-CD1 3.89Å; F93-F118 HydrophobicContact CD1-CE1 4.14Å; F93-F118 HydrophobicContact CE1-CD1 4.03Å; F93-A120 HydrophobicContact CZ-CB 4.13Å; F93-V121 HydrophobicContact CB-CG2 4.43Å; F93-V121 HydrophobicContact CD1-CG2 3.61Å; F93-V121 HydrophobicContact CD2-CG2 3.86Å; F93-V121 HydrophobicContact CE1-CG2 3.73Å; F93-V121 HydrophobicContact CE2-CG2 3.97Å; F93-V121 HydrophobicContact CG-CG2 3.68Å; F93-V121 HydrophobicContact CZ-CG2 3.91Å
94	S	93.6	Very high	92.1	Very high	10 Å²	10	51.3 Å²	51.3	7%	0.07	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-28.1	179.3	-55.3	0	0	0	0	113.2	V53 L90 L91 D92 F118	V53-S94 WeakPolarHBondContact CG1-O 3.22Å; L90-S94 PolarHBondContact O-N 3.49Å; L90-S94 PolarHBondContact O-OG 3.42Å; L91-S94 WeakPolarHBondContact O-CA 3.43Å; L91-S94 VanDerWaalsContact O-CB 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.44Å; L91-S94 PolarHBondContact O-N 2.75Å; D92-S94 PolarHBondContact O-N 2.82Å; S94-F118 WeakPolarHBondContact OG-CE1 3.29Å; S94-F118 WeakPolarHBondContact OG-CZ 3.34Å
95	Y	92.2	Very high	92.2	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-98.1	-23.5	179.2	-74.1	-84.7	0	0	0	114.1	L25 R29 H50 V53 L91 D92 F93	L25-Y95 HydrophobicContact CB-CD1 4.09Å; L25-Y95 HydrophobicContact CB-CE1 4.29Å; R29-Y95 HydrophobicContact CB-CE1 4.26Å; H50-Y95 VanDerWaalsContact CB-OH 3.29Å; H50-Y95 WeakPolarHBondContact CB-OH 3.3Å; H50-Y95 PolarHBondContact N-OH 3.37Å; H50-Y95 AromaticContact ND1-CE1 3.54Å; H50-Y95 AromaticContact ND1-CZ 3.55Å; H50-Y95 PolarHBondContact ND1-OH 3.31Å; V53-Y95 HydrophobicContact CB-CE1 3.98Å; V53-Y95 HydrophobicContact CG1-CD1 4.02Å; V53-Y95 HydrophobicContact CG1-CD2 4.43Å; V53-Y95 HydrophobicContact CG1-CE1 3.73Å; V53-Y95 HydrophobicContact CG1-CE2 4.15Å; V53-Y95 HydrophobicContact CG1-CG 4.35Å; V53-Y95 HydrophobicContact CG2-CE1 3.8Å; L91-Y95 VanDerWaalsContact O-CD2 3.25Å; L91-Y95 WeakPolarHBondContact O-CD2 3.3Å; L91-Y95 PolarHBondContact O-N 2.9Å; D92-Y95 PolarHBondContact O-N 3.23Å; F93-Y95 PolarHBondContact O-N 2.93Å
96	T	90.6	Very high	92.2	Very high	61 Å²	61	46.2 Å²	46.2	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-118.6	-17.7	-171.1	67.1	0	0	0	0	114.2	D92 F93 R98	D92-T96 WeakPolarHBondContact O-CB 3.41Å; D92-T96 WeakPolarHBondContact O-CG2 3.5Å; D92-T96 PolarHBondContact O-N 3.11Å; D92-T96 PolarHBondContact O-OG1 2.96Å; F93-T96 PolarHBondContact O-N 2.56Å; T96-R98 PolarHBondContact O-N 2.99Å; T96-R98 PolarHBondContact OG1-N 3.18Å; T96-R98 PolarHBondContact OG1-O 2.9Å
97	G	89.1	Confident	92.1	Very high	49 Å²	49	49.1 Å²	49.1	51%	0.505	29%	0.285	S	S	.	.	S	Bend	trans	68.4	12.6	-170.5	0	0	0	0	0	114.1	F93	F93-G97 WeakPolarHBondContact O-CA 3.5Å; F93-G97 PolarHBondContact O-N 3.42Å
98	R	90.4	Very high	92.1	Very high	190 Å²	190	51 Å²	51	72%	0.717	30%	0.297	S	S	*	.			trans	-124.2	141.6	-175.8	-63	180	-179.6	-169.2	-4.1	110.8	F93 T96	F93-R98 WeakPolarHBondContact CA-O 3.47Å; T96-R98 PolarHBondContact O-N 2.99Å; T96-R98 PolarHBondContact OG1-N 3.18Å; T96-R98 PolarHBondContact OG1-O 2.9Å
99	V	93.8	Very high	92.2	Very high	40 Å²	40	47.9 Å²	47.9	24%	0.242	28%	0.283	C	S	.	.			trans	-142.7	139.1	175.2	67.1	0	0	0	0	109.1	L89 F93 V101 L109 V121	L89-V99 HydrophobicContact CB-CG2 4.34Å; F93-V99 HydrophobicContact CB-CB 4.42Å; F93-V99 HydrophobicContact CD2-CB 4.18Å; F93-V99 HydrophobicContact CD2-CG1 4.33Å; V99-V101 HydrophobicContact CG1-CG2 4.37Å; V99-L109 HydrophobicContact CG2-CD2 3.83Å; V99-V121 HydrophobicContact CG1-CG1 4.3Å; V99-V121 HydrophobicContact CG1-CG2 4.36Å; V99-V121 HydrophobicContact CG2-CG1 4.38Å
100	A	92.3	Very high	92.1	Very high	71 Å²	71	45.8 Å²	45.8	59%	0.587	27%	0.272	S	S	*	.			trans	-100.1	116.5	176.1	0	0	0	0	0	109.3	N105	A100-N105 PolarHBondContact O-ND2 3.45Å
101	V	92.8	Very high	92.1	Very high	36 Å²	36	51.5 Å²	51.5	22%	0.218	29%	0.294	C	S	.	.			trans	-102.3	132.9	178	-172.5	0	0	0	0	109.2	V99 N105 A106 L109 F128	V99-V101 HydrophobicContact CG1-CG2 4.37Å; V101-N105 WeakPolarHBondContact CA-OD1 3.39Å; V101-A106 HydrophobicContact CG1-CB 3.8Å; V101-L109 HydrophobicContact CG2-CD2 4.25Å; V101-F128 HydrophobicContact CB-CG 4.46Å; V101-F128 HydrophobicContact CG1-CB 3.8Å; V101-F128 HydrophobicContact CG1-CD1 3.91Å; V101-F128 HydrophobicContact CG1-CD2 4.32Å; V101-F128 HydrophobicContact CG1-CG 3.73Å
102	S	92.3	Very high	92.1	Very high	52 Å²	52	51.6 Å²	51.6	36%	0.364	30%	0.295	S	S	.	.			trans	-136.6	168	180	69.5	0	0	0	0	110.5	D104 N105 A106	S102-D104 VanDerWaalsContact C-N 3.32Å; S102-D104 PolarHBondContact O-N 2.88Å; S102-N105 PolarHBondContact N-OD1 3.26Å; S102-N105 PolarHBondContact O-N 3.42Å; S102-N105 PolarHBondContact O-OD1 2.99Å; S102-N105 VanDerWaalsContact O-OD1 3.05Å; S102-N105 VanDerWaalsContact OG-CG 3.24Å; S102-N105 PolarHBondContact OG-ND2 2.83Å; S102-N105 PolarHBondContact OG-OD1 3.44Å; S102-A106 VanDerWaalsContact O-CB 3.3Å; S102-A106 WeakPolarHBondContact O-CB 3.48Å; S102-A106 PolarHBondContact O-N 3.12Å
103	G	86.9	Confident	92.2	Very high	54 Å²	54	48.9 Å²	48.9	56%	0.557	28%	0.28	S	S	*	.	H	α-helix	trans	-54.4	-43.9	-180	0	0	0	0	0	113.9
104	D	89.3	Confident	92.1	Very high	156 Å²	156	49.7 Å²	49.7	83%	0.834	29%	0.286	S	S	*	.	H	α-helix	trans	-76.6	-25.9	-176.4	-54.7	-37.7	0	0	0	113.1	S102	S102-D104 VanDerWaalsContact C-N 3.32Å; S102-D104 PolarHBondContact O-N 2.88Å
105	N	92.7	Very high	92.1	Very high	20 Å²	20	53.1 Å²	53.1	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-100.1	-18.5	-175.3	82	10.1	0	0	0	113.9	M86 A100 V101 S102 E107 P108 L109	M86-N105 HydrophobicContact CE-CB 3.88Å; M86-N105 HydrophobicContact SD-CB 4.18Å; A100-N105 PolarHBondContact O-ND2 3.45Å; V101-N105 WeakPolarHBondContact CA-OD1 3.39Å; S102-N105 PolarHBondContact N-OD1 3.26Å; S102-N105 PolarHBondContact O-N 3.42Å; S102-N105 PolarHBondContact O-OD1 2.99Å; S102-N105 VanDerWaalsContact O-OD1 3.05Å; S102-N105 VanDerWaalsContact OG-CG 3.24Å; S102-N105 PolarHBondContact OG-ND2 2.83Å; S102-N105 PolarHBondContact OG-OD1 3.44Å; N105-E107 PolarHBondContact O-N 3.28Å; N105-P108 VanDerWaalsContact O-CD 3.25Å; N105-P108 WeakPolarHBondContact O-CD 3.42Å; N105-P108 WeakPolarHBondContact O-CG 3.37Å; N105-L109 WeakPolarHBondContact O-CB 3.25Å; N105-L109 PolarHBondContact O-N 3.16Å
106	A	91.8	Very high	92.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-47.6	-169.6	0	0	0	0	0	113.1	V101 S102 L110 F128 L129	V101-A106 HydrophobicContact CG1-CB 3.8Å; S102-A106 VanDerWaalsContact O-CB 3.3Å; S102-A106 WeakPolarHBondContact O-CB 3.48Å; S102-A106 PolarHBondContact O-N 3.12Å; A106-L110 VanDerWaalsContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CB 3.27Å; A106-L110 PolarHBondContact O-N 3.25Å; A106-F128 HydrophobicContact CB-CD1 3.78Å; A106-F128 HydrophobicContact CB-CE1 4.23Å; A106-L129 HydrophobicContact CB-CD2 3.8Å; A106-L129 HydrophobicContact CB-CG 4.09Å
107	E	91.6	Very high	92.3	Very high	82 Å²	82	54.7 Å²	54.7	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-57.7	176	-76.4	-170.9	-146.8	0	0	113.3	N105 L109 L110 R111 L129 F144	N105-E107 PolarHBondContact O-N 3.28Å; E107-L109 VanDerWaalsContact C-N 3.27Å; E107-L109 PolarHBondContact O-N 3.37Å; E107-L110 PolarHBondContact O-N 3.04Å; E107-R111 WeakPolarHBondContact O-CG 3.26Å; E107-R111 PolarHBondContact O-N 2.85Å; E107-R111 VanDerWaalsContact O-N 3.09Å; E107-R111 IonicContact OE2-NH2 3.99Å; E107-R111 PolarHBondContact OE2-NH2 2.92Å; E107-L129 HydrophobicContact CG-CD2 4.35Å; E107-F144 HydrophobicContact CB-CZ 4.28Å; E107-F144 HydrophobicContact CG-CE1 4.47Å; E107-F144 HydrophobicContact CG-CE2 4.47Å; E107-F144 HydrophobicContact CG-CZ 4.17Å
108	P	93.1	Very high	92.5	Very high	39 Å²	39	52.5 Å²	52.5	25%	0.253	28%	0.283	S	S	.	.	H	α-helix	trans	-64.9	-31.8	-177.6	25.2	-34.8	0	0	0	112.5	M86 N105 A112	M86-P108 HydrophobicContact CE-CG 4.11Å; M86-P108 HydrophobicContact CG-CB 3.99Å; M86-P108 HydrophobicContact CG-CG 4.49Å; M86-P108 HydrophobicContact SD-CB 4.17Å; M86-P108 HydrophobicContact SD-CG 4.05Å; N105-P108 VanDerWaalsContact O-CD 3.25Å; N105-P108 WeakPolarHBondContact O-CD 3.42Å; N105-P108 WeakPolarHBondContact O-CG 3.37Å; P108-A112 WeakPolarHBondContact O-CB 3.49Å; P108-A112 PolarHBondContact O-N 3.28Å
109	L	94.4	Very high	92.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.5	-41.1	174.6	-175.6	59.2	0	0	0	111.3	M86 L89 L90 V99 V101 N105 E107 A112 A113 V121	M86-L109 HydrophobicContact CB-CD1 4.45Å; M86-L109 HydrophobicContact SD-CB 3.7Å; M86-L109 HydrophobicContact SD-CD1 4.25Å; L89-L109 HydrophobicContact CB-CD1 4.15Å; L89-L109 HydrophobicContact CD1-CD1 4.42Å; L89-L109 HydrophobicContact CD1-CD2 4.42Å; L90-L109 HydrophobicContact CD2-CD1 3.94Å; L90-L109 HydrophobicContact CG-CD1 4Å; V99-L109 HydrophobicContact CG2-CD2 3.83Å; V101-L109 HydrophobicContact CG2-CD2 4.25Å; N105-L109 WeakPolarHBondContact O-CB 3.25Å; N105-L109 PolarHBondContact O-N 3.16Å; E107-L109 VanDerWaalsContact C-N 3.27Å; E107-L109 PolarHBondContact O-N 3.37Å; L109-A112 PolarHBondContact O-N 3.02Å; L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-A113 PolarHBondContact O-N 3.29Å; L109-V121 HydrophobicContact CD1-CG1 4.24Å; L109-V121 HydrophobicContact CD2-CG1 4.1Å; L109-V121 HydrophobicContact CG-CG1 3.99Å
110	L	93.9	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-44.1	176.1	-169.7	150.3	0	0	0	111.3	A106 E107 A112 A113 D114 K122 C125 L129 F144 F148	A106-L110 VanDerWaalsContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CB 3.27Å; A106-L110 PolarHBondContact O-N 3.25Å; E107-L110 PolarHBondContact O-N 3.04Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3.21Å; L110-A113 PolarHBondContact O-N 3.28Å; L110-D114 WeakPolarHBondContact O-CB 3.46Å; L110-D114 PolarHBondContact O-N 3.49Å; L110-K122 HydrophobicContact CG-CG 4.26Å; L110-C125 HydrophobicContact CB-CB 3.87Å; L110-C125 HydrophobicContact CD1-CB 3.9Å; L110-C125 HydrophobicContact CG-CB 4.24Å; L110-L129 HydrophobicContact CD1-CD1 3.98Å; L110-F144 HydrophobicContact CB-CZ 4.37Å; L110-F144 HydrophobicContact CD1-CE1 4.1Å; L110-F144 HydrophobicContact CD2-CE1 3.93Å; L110-F144 HydrophobicContact CD2-CZ 3.87Å; L110-F144 HydrophobicContact CG-CE1 4.43Å; L110-F148 HydrophobicContact CD2-CB 3.69Å; L110-F148 HydrophobicContact CD2-CD1 4.31Å; L110-F148 HydrophobicContact CD2-CD2 4.12Å; L110-F148 HydrophobicContact CD2-CG 3.76Å
111	R	93.1	Very high	92.6	Very high	121 Å²	121	45.2 Å²	45.2	46%	0.457	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-44.2	176.2	-60.2	-175.2	-163.5	-172	1.6	111.7	E107 L115 F144 F148	E107-R111 WeakPolarHBondContact O-CG 3.26Å; E107-R111 PolarHBondContact O-N 2.85Å; E107-R111 VanDerWaalsContact O-N 3.09Å; E107-R111 IonicContact OE2-NH2 3.99Å; E107-R111 PolarHBondContact OE2-NH2 2.92Å; R111-L115 WeakPolarHBondContact O-CB 3.43Å; R111-L115 PolarHBondContact O-N 3.43Å; R111-L115 VanDerWaalsContact O-N 3.08Å; R111-F144 HydrophobicContact CG-CE2 4.17Å; R111-F144 HydrophobicContact CG-CZ 4.36Å; R111-F148 HydrophobicContact CB-CE1 4.16Å; R111-F148 HydrophobicContact CB-CZ 4.27Å; R111-F148 HydrophobicContact CG-CE1 3.83Å; R111-F148 HydrophobicContact CG-CE2 3.97Å; R111-F148 HydrophobicContact CG-CZ 3.48Å; R111-F148 VanDerWaalsContact CG-CZ 3.48Å
112	A	93.4	Very high	92.6	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-40.4	177.8	0	0	0	0	0	112.2	V82 M86 L90 P108 L109 L110 L115 L116	V82-A112 HydrophobicContact CG1-CB 4.01Å; M86-A112 HydrophobicContact CB-CB 3.96Å; L90-A112 HydrophobicContact CD1-CB 3.81Å; P108-A112 WeakPolarHBondContact O-CB 3.49Å; P108-A112 PolarHBondContact O-N 3.28Å; L109-A112 PolarHBondContact O-N 3.02Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3.21Å; A112-L115 PolarHBondContact O-N 2.9Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.27Å; A112-L116 PolarHBondContact O-N 3.26Å
113	A	93.9	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.6	0	0	0	0	0	111.6	L90 L109 L110 Q117 F118 V121 K122	L90-A113 HydrophobicContact CD2-CB 4.17Å; L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-A113 PolarHBondContact O-N 3.29Å; L110-A113 PolarHBondContact O-N 3.28Å; A113-Q117 CarbonylContact O-C 3.6Å; A113-Q117 WeakPolarHBondContact O-CA 3.39Å; A113-Q117 PolarHBondContact O-N 3.1Å; A113-F118 HydrophobicContact CB-CB 4.16Å; A113-F118 PolarHBondContact O-N 3.45Å; A113-V121 HydrophobicContact CB-CB 4.15Å; A113-V121 HydrophobicContact CB-CG1 4.1Å; A113-K122 HydrophobicContact CB-CB 4.22Å
114	D	93.3	Very high	92.9	Very high	58 Å²	58	47.1 Å²	47.1	31%	0.31	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-50.5	174.6	-172.3	68	0	0	0	111.5	L110 L116 Q117 K122 F148	L110-D114 WeakPolarHBondContact O-CB 3.46Å; L110-D114 PolarHBondContact O-N 3.49Å; D114-L116 VanDerWaalsContact C-N 3.34Å; D114-L116 PolarHBondContact O-N 2.71Å; D114-Q117 PolarHBondContact O-N 3.41Å; D114-K122 HydrophobicContact CB-CD 4.35Å; D114-K122 WeakPolarHBondContact OD1-CE 3.2Å; D114-K122 IonicContact OD1-NZ 3.75Å; D114-K122 PolarHBondContact OD1-NZ 3.16Å; D114-F148 HydrophobicContact CB-CD1 4.16Å
115	L	92.6	Very high	93.1	Very high	82 Å²	82	39.7 Å²	39.7	43%	0.429	21%	0.213	S	C	.	.	H	α-helix	trans	-58.3	-44.4	179.4	-179.9	64.5	0	0	0	112.5	V82 R111 A112 Q117	V82-L115 HydrophobicContact CG2-CD2 3.71Å; R111-L115 WeakPolarHBondContact O-CB 3.43Å; R111-L115 PolarHBondContact O-N 3.43Å; R111-L115 VanDerWaalsContact O-N 3.08Å; A112-L115 PolarHBondContact O-N 2.9Å; L115-Q117 VanDerWaalsContact C-N 3.32Å
116	L	93	Very high	93.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.3	179.7	-59.8	179.3	0	0	0	112.9	S58 Y60 F61 L79 V82 L87 L90 A112 D114 F118	S58-L116 WeakPolarHBondContact CB-O 3.49Å; S58-L116 PolarHBondContact OG-O 3.25Å; Y60-L116 WeakPolarHBondContact CB-O 3.23Å; Y60-L116 HydrophobicContact CD1-CD2 3.69Å; Y60-L116 HydrophobicContact CE1-CD2 3.57Å; Y60-L116 HydrophobicContact CG-CD2 4.41Å; F61-L116 HydrophobicContact CE2-CD1 4.44Å; F61-L116 HydrophobicContact CZ-CD1 4.16Å; F61-L116 HydrophobicContact CZ-CD2 4.03Å; L79-L116 HydrophobicContact CD1-CD1 4.47Å; L79-L116 HydrophobicContact CD1-CD2 4.36Å; L79-L116 HydrophobicContact CD2-CD2 4.29Å; V82-L116 HydrophobicContact CG1-CD1 4.46Å; V82-L116 HydrophobicContact CG2-CD1 4.28Å; V82-L116 HydrophobicContact CG2-CG 4.4Å; L87-L116 HydrophobicContact CD1-CD1 3.84Å; L90-L116 HydrophobicContact CD1-CD1 3.85Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.27Å; A112-L116 PolarHBondContact O-N 3.26Å; D114-L116 VanDerWaalsContact C-N 3.34Å; D114-L116 PolarHBondContact O-N 2.71Å; L116-F118 HydrophobicContact CB-CD2 3.79Å; L116-F118 HydrophobicContact CB-CE2 3.82Å; L116-F118 WeakPolarHBondContact O-CD2 3.36Å; L116-F118 PolarHBondContact O-N 2.94Å
117	Q	93.9	Very high	93.1	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	52.7	175.9	-58.5	-177.5	-6.3	0	0	114.8	P59 A113 D114 L115 P119	P59-Q117 WeakPolarHBondContact CD-O 3.45Å; A113-Q117 CarbonylContact O-C 3.6Å; A113-Q117 WeakPolarHBondContact O-CA 3.39Å; A113-Q117 PolarHBondContact O-N 3.1Å; D114-Q117 PolarHBondContact O-N 3.41Å; L115-Q117 VanDerWaalsContact C-N 3.32Å; Q117-P119 VanDerWaalsContact C-CD 3.48Å; Q117-P119 WeakPolarHBondContact O-CD 3.21Å
118	F	94.4	Very high	93.1	Very high	3 Å²	3	40 Å²	40	1%	0.013	23%	0.225	C	C	.	.			trans	-101	82	168.8	-74.3	-87.8	0	0	0	110.8	A57 F61 L90 F93 S94 A113 L116 A120 V121 K122	A57-F118 HydrophobicContact CB-CE1 3.99Å; F61-F118 HydrophobicContact CD2-CE2 4.48Å; F61-F118 HydrophobicContact CD2-CZ 4.44Å; F61-F118 HydrophobicContact CE2-CE2 4.01Å; F61-F118 HydrophobicContact CE2-CZ 4.2Å; L90-F118 HydrophobicContact CB-CD2 4.43Å; L90-F118 HydrophobicContact CB-CE2 4.18Å; L90-F118 HydrophobicContact CB-CZ 4.48Å; L90-F118 HydrophobicContact CD1-CD2 4.18Å; L90-F118 HydrophobicContact CD1-CE2 4.43Å; L90-F118 HydrophobicContact CD2-CB 4.17Å; L90-F118 HydrophobicContact CD2-CD2 3.99Å; L90-F118 HydrophobicContact CD2-CG 4.04Å; L90-F118 HydrophobicContact CG-CD2 4.44Å; F93-F118 AromaticContact CD1-CD1 3.89Å; F93-F118 HydrophobicContact CD1-CD1 3.89Å; F93-F118 HydrophobicContact CD1-CE1 4.14Å; F93-F118 HydrophobicContact CE1-CD1 4.03Å; S94-F118 WeakPolarHBondContact OG-CE1 3.29Å; S94-F118 WeakPolarHBondContact OG-CZ 3.34Å; A113-F118 HydrophobicContact CB-CB 4.16Å; A113-F118 PolarHBondContact O-N 3.45Å; L116-F118 HydrophobicContact CB-CD2 3.79Å; L116-F118 HydrophobicContact CB-CE2 3.82Å; L116-F118 WeakPolarHBondContact O-CD2 3.36Å; L116-F118 PolarHBondContact O-N 2.94Å; F118-A120 PolarHBondContact O-N 2.89Å; F118-V121 HydrophobicContact CB-CB 4.14Å; F118-V121 HydrophobicContact CB-CG2 4.18Å; F118-V121 PolarHBondContact O-N 3.3Å; F118-K122 PolarHBondContact O-N 3.32Å
119	P	92.1	Very high	93.1	Very high	86 Å²	86	38.5 Å²	38.5	56%	0.558	22%	0.215	S	C	*	.	H	α-helix	trans	-62.2	-39.2	-173	23.9	-34.5	0	0	0	113.2	Q117 V121 K122 E123	Q117-P119 VanDerWaalsContact C-CD 3.48Å; Q117-P119 WeakPolarHBondContact O-CD 3.21Å; P119-V121 VanDerWaalsContact C-N 3.33Å; P119-V121 PolarHBondContact O-N 2.79Å; P119-K122 WeakPolarHBondContact O-CB 3.41Å; P119-K122 PolarHBondContact O-N 2.91Å; P119-E123 WeakPolarHBondContact O-CG 3.31Å; P119-E123 PolarHBondContact O-N 3.1Å
120	A	92.9	Very high	93	Very high	61 Å²	61	42.5 Å²	42.5	50%	0.504	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-38.5	179.4	0	0	0	0	0	112.7	F93 F118 A124	F93-A120 HydrophobicContact CZ-CB 4.13Å; F118-A120 PolarHBondContact O-N 2.89Å; A120-A124 WeakPolarHBondContact O-CB 3.5Å; A120-A124 PolarHBondContact O-N 3.13Å; A120-A124 VanDerWaalsContact O-N 3.1Å
121	V	93.8	Very high	92.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-72.5	-40.2	176.8	-178.8	0	0	0	0	110.4	L90 F93 V99 L109 A113 F118 P119 A124 C125	L90-V121 HydrophobicContact CD2-CB 4.16Å; L90-V121 HydrophobicContact CD2-CG1 3.85Å; L90-V121 HydrophobicContact CD2-CG2 4.13Å; F93-V121 HydrophobicContact CB-CG2 4.43Å; F93-V121 HydrophobicContact CD1-CG2 3.61Å; F93-V121 HydrophobicContact CD2-CG2 3.86Å; F93-V121 HydrophobicContact CE1-CG2 3.73Å; F93-V121 HydrophobicContact CE2-CG2 3.97Å; F93-V121 HydrophobicContact CG-CG2 3.68Å; F93-V121 HydrophobicContact CZ-CG2 3.91Å; V99-V121 HydrophobicContact CG1-CG1 4.3Å; V99-V121 HydrophobicContact CG1-CG2 4.36Å; V99-V121 HydrophobicContact CG2-CG1 4.38Å; L109-V121 HydrophobicContact CD1-CG1 4.24Å; L109-V121 HydrophobicContact CD2-CG1 4.1Å; L109-V121 HydrophobicContact CG-CG1 3.99Å; A113-V121 HydrophobicContact CB-CB 4.15Å; A113-V121 HydrophobicContact CB-CG1 4.1Å; F118-V121 HydrophobicContact CB-CB 4.14Å; F118-V121 HydrophobicContact CB-CG2 4.18Å; F118-V121 PolarHBondContact O-N 3.3Å; P119-V121 VanDerWaalsContact C-N 3.33Å; P119-V121 PolarHBondContact O-N 2.79Å; V121-A124 PolarHBondContact O-N 3.04Å; V121-C125 PolarHBondContact O-N 3.12Å; V121-C125 PolarHBondContact O-SG 2.92Å
122	K	93.1	Very high	92.7	Very high	27 Å²	27	49 Å²	49	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-47.8	175	-179.7	-179.1	176.4	177.5	0	111.6	L110 A113 D114 F118 P119 C125 G126 F148 C150	L110-K122 HydrophobicContact CG-CG 4.26Å; A113-K122 HydrophobicContact CB-CB 4.22Å; D114-K122 HydrophobicContact CB-CD 4.35Å; D114-K122 WeakPolarHBondContact OD1-CE 3.2Å; D114-K122 IonicContact OD1-NZ 3.75Å; D114-K122 PolarHBondContact OD1-NZ 3.16Å; F118-K122 PolarHBondContact O-N 3.32Å; P119-K122 WeakPolarHBondContact O-CB 3.41Å; P119-K122 PolarHBondContact O-N 2.91Å; K122-C125 PolarHBondContact O-N 3.37Å; K122-G126 PolarHBondContact O-N 2.96Å; K122-F148 WeakPolarHBondContact CE-O 3.43Å; K122-F148 PolarHBondContact NZ-O 3.1Å; K122-C150 WeakPolarHBondContact CE-SG 3.44Å
123	E	91.9	Very high	92.7	Very high	112 Å²	112	50 Å²	50	52%	0.523	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-43.2	176.1	-71.9	-58.4	131.9	0	0	111.9	P119 C125 G126 A127	P119-E123 WeakPolarHBondContact O-CG 3.31Å; P119-E123 PolarHBondContact O-N 3.1Å; E123-C125 VanDerWaalsContact C-N 3.35Å; E123-C125 PolarHBondContact O-N 3.44Å; E123-G126 PolarHBondContact O-N 3.03Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.39Å
124	A	92.4	Very high	92.6	Very high	42 Å²	42	54.2 Å²	54.2	35%	0.347	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-41.3	176.6	0	0	0	0	0	112.5	A120 V121 A127 F128	A120-A124 WeakPolarHBondContact O-CB 3.5Å; A120-A124 PolarHBondContact O-N 3.13Å; A120-A124 VanDerWaalsContact O-N 3.1Å; V121-A124 PolarHBondContact O-N 3.04Å; A124-A127 PolarHBondContact O-N 3.49Å; A124-F128 PolarHBondContact O-N 3.18Å; A124-F128 VanDerWaalsContact O-N 3.1Å
125	C	93.8	Very high	92.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-41.8	174.6	-62.7	0	0	0	0	111.3	L110 V121 K122 E123 A127 F128 L129	L110-C125 HydrophobicContact CB-CB 3.87Å; L110-C125 HydrophobicContact CD1-CB 3.9Å; L110-C125 HydrophobicContact CG-CB 4.24Å; V121-C125 PolarHBondContact O-N 3.12Å; V121-C125 PolarHBondContact O-SG 2.92Å; K122-C125 PolarHBondContact O-N 3.37Å; E123-C125 VanDerWaalsContact C-N 3.35Å; E123-C125 PolarHBondContact O-N 3.44Å; C125-A127 PolarHBondContact O-N 3.14Å; C125-F128 PolarHBondContact O-N 3.13Å; C125-L129 WeakPolarHBondContact O-CG 3.5Å; C125-L129 PolarHBondContact O-N 3.08Å
126	G	92.6	Very high	92.2	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-43.5	175.8	0	0	0	0	0	112.7	K122 E123 F128 L129 Q130	K122-G126 PolarHBondContact O-N 2.96Å; E123-G126 PolarHBondContact O-N 3.03Å; G126-F128 VanDerWaalsContact C-N 3.34Å; G126-F128 PolarHBondContact O-N 3.38Å; G126-L129 PolarHBondContact O-N 3.49Å; G126-Q130 PolarHBondContact O-N 3.06Å
127	A	91.5	Very high	92.1	Very high	52 Å²	52	55 Å²	55	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-37.6	176.2	0	0	0	0	0	112.5	E123 A124 C125	E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.39Å; A124-A127 PolarHBondContact O-N 3.49Å; C125-A127 PolarHBondContact O-N 3.14Å
128	F	92.9	Very high	92	Very high	48 Å²	48	50.5 Å²	50.5	21%	0.211	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-46.3	174.6	-177.2	-91.1	0	0	0	111.8	V101 A106 A124 C125 G126 Q130 Q131 Q132	V101-F128 HydrophobicContact CB-CG 4.46Å; V101-F128 HydrophobicContact CG1-CB 3.8Å; V101-F128 HydrophobicContact CG1-CD1 3.91Å; V101-F128 HydrophobicContact CG1-CD2 4.32Å; V101-F128 HydrophobicContact CG1-CG 3.73Å; A106-F128 HydrophobicContact CB-CD1 3.78Å; A106-F128 HydrophobicContact CB-CE1 4.23Å; A124-F128 PolarHBondContact O-N 3.18Å; A124-F128 VanDerWaalsContact O-N 3.1Å; C125-F128 PolarHBondContact O-N 3.13Å; G126-F128 VanDerWaalsContact C-N 3.34Å; G126-F128 PolarHBondContact O-N 3.38Å; F128-Q130 PolarHBondContact O-N 3.35Å; F128-Q131 WeakPolarHBondContact O-CB 3.37Å; F128-Q131 PolarHBondContact O-N 2.94Å; F128-Q132 HydrophobicContact CE1-CG 4.14Å
129	L	92.3	Very high	91.8	Very high	9 Å²	9	51 Å²	51	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-33	177.7	-71.2	172.3	0	0	0	112.3	A106 E107 L110 C125 G126 Q131 Q132 M141 F144 L153	A106-L129 HydrophobicContact CB-CD2 3.8Å; A106-L129 HydrophobicContact CB-CG 4.09Å; E107-L129 HydrophobicContact CG-CD2 4.35Å; L110-L129 HydrophobicContact CD1-CD1 3.98Å; C125-L129 WeakPolarHBondContact O-CG 3.5Å; C125-L129 PolarHBondContact O-N 3.08Å; G126-L129 PolarHBondContact O-N 3.49Å; L129-Q131 PolarHBondContact O-N 2.89Å; L129-Q132 PolarHBondContact O-N 3.4Å; L129-Q132 VanDerWaalsContact O-N 3.07Å; L129-M141 HydrophobicContact CB-SD 4.04Å; L129-M141 HydrophobicContact CD1-SD 4.25Å; L129-M141 HydrophobicContact CD2-CE 4.14Å; L129-M141 HydrophobicContact CD2-SD 4.18Å; L129-M141 HydrophobicContact CG-SD 4.39Å; L129-F144 HydrophobicContact CD1-CD1 4.37Å; L129-F144 HydrophobicContact CD1-CE1 3.78Å; L129-L153 HydrophobicContact CB-CD1 4.08Å; L129-L153 HydrophobicContact CB-CD2 3.9Å; L129-L153 HydrophobicContact CD1-CD2 3.95Å
130	Q	92.6	Very high	91.8	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-32.2	174.9	-177.1	177.2	-19.4	0	0	112.6	G126 F128 Q132 L133 L153 A156	G126-Q130 PolarHBondContact O-N 3.06Å; F128-Q130 PolarHBondContact O-N 3.35Å; Q130-Q132 VanDerWaalsContact C-N 3.26Å; Q130-Q132 PolarHBondContact O-N 3.35Å; Q130-L133 HydrophobicContact CG-CD1 4.19Å; Q130-L153 HydrophobicContact CB-CD1 3.95Å; Q130-A156 VanDerWaalsContact CD-CB 3.44Å; Q130-A156 HydrophobicContact CG-CB 3.64Å
131	Q	90.8	Very high	91.8	Very high	154 Å²	154	48.4 Å²	48.4	72%	0.72	26%	0.264	S	S	*	.	H	α-helix	trans	-75.7	-15.9	177.5	-63.2	178.8	-3.8	0	0	113.1	F128 L129	F128-Q131 WeakPolarHBondContact O-CB 3.37Å; F128-Q131 PolarHBondContact O-N 2.94Å; L129-Q131 PolarHBondContact O-N 2.89Å
132	Q	90.3	Very high	91.7	Very high	102 Å²	102	48.4 Å²	48.4	48%	0.477	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11.2	-179.5	-60.5	-63.9	-33	0	0	112.5	F128 L129 Q130 D134 N137	F128-Q132 HydrophobicContact CE1-CG 4.14Å; L129-Q132 PolarHBondContact O-N 3.4Å; L129-Q132 VanDerWaalsContact O-N 3.07Å; Q130-Q132 VanDerWaalsContact C-N 3.26Å; Q130-Q132 PolarHBondContact O-N 3.35Å; Q132-D134 PolarHBondContact O-N 3.19Å; Q132-N137 PolarHBondContact O-ND2 2.95Å
133	L	91.9	Very high	91.7	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.136	27%	0.274	C	S	.	.			trans	-64.8	128.1	176.7	-76.9	170.4	0	0	0	110.8	Q130 M141 A156 A157 F160	Q130-L133 HydrophobicContact CG-CD1 4.19Å; L133-M141 HydrophobicContact CD2-CB 3.92Å; L133-M141 HydrophobicContact CD2-CG 3.68Å; L133-A156 HydrophobicContact CD1-CB 4.24Å; L133-A157 HydrophobicContact CD2-CB 4Å; L133-F160 HydrophobicContact CB-CD2 4.49Å; L133-F160 HydrophobicContact CB-CG 4.48Å; L133-F160 HydrophobicContact CD1-CB 4.46Å
134	D	92.2	Very high	91.7	Very high	88 Å²	88	45.8 Å²	45.8	47%	0.471	25%	0.254	S	S	.	.			trans	-142.7	163.9	179.7	-170.9	20.5	0	0	0	110.3	Q132 A136 N137 C138	Q132-D134 PolarHBondContact O-N 3.19Å; D134-A136 PolarHBondContact O-N 2.89Å; D134-N137 PolarHBondContact N-OD1 3.11Å; D134-N137 PolarHBondContact O-N 2.74Å; D134-N137 PolarHBondContact O-OD1 2.99Å; D134-C138 VanDerWaalsContact O-CB 3.3Å; D134-C138 WeakPolarHBondContact O-CB 3.46Å; D134-C138 PolarHBondContact O-N 3.36Å
135	L	89.1	Confident	91.7	Very high	47 Å²	47	43.8 Å²	43.8	25%	0.246	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.8	-179.4	-63.4	175.3	0	0	0	112.5	F160 H164 E167 Q172	L135-F160 HydrophobicContact CD2-CE1 4.01Å; L135-F160 HydrophobicContact CD2-CZ 4.31Å; L135-H164 HydrophobicContact CD2-CB 3.44Å; L135-H164 VanDerWaalsContact CD2-CB 3.44Å; L135-E167 HydrophobicContact CD1-CB 4.26Å; L135-E167 HydrophobicContact CD2-CB 4.36Å; L135-Q172 PolarHBondContact O-NE2 3.32Å
136	A	88.9	Confident	91.7	Very high	65 Å²	65	47 Å²	47	54%	0.537	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.3	179.8	0	0	0	0	0	112.8	D134 Q172	D134-A136 PolarHBondContact O-N 2.89Å; A136-Q172 PolarHBondContact O-NE2 2.97Å
137	N	90.5	Very high	91.6	Very high	46 Å²	46	50.2 Å²	50.2	25%	0.246	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-10.9	-169	72.4	18	0	0	0	114.4	Q132 D134 L139 D140 M141	Q132-N137 PolarHBondContact O-ND2 2.95Å; D134-N137 PolarHBondContact N-OD1 3.11Å; D134-N137 PolarHBondContact O-N 2.74Å; D134-N137 PolarHBondContact O-OD1 2.99Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 2.88Å; N137-D140 PolarHBondContact O-N 2.86Å; N137-M141 VanDerWaalsContact O-CB 3.29Å; N137-M141 WeakPolarHBondContact O-CB 3.27Å; N137-M141 PolarHBondContact O-N 2.99Å
138	C	91.8	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-37.3	-167	61.1	0	0	0	0	114.1	D134 Q142 F160 I161	D134-C138 VanDerWaalsContact O-CB 3.3Å; D134-C138 WeakPolarHBondContact O-CB 3.46Å; D134-C138 PolarHBondContact O-N 3.36Å; C138-Q142 WeakPolarHBondContact O-CB 3.45Å; C138-Q142 PolarHBondContact O-N 3.43Å; C138-F160 HydrophobicContact CB-CD1 3.81Å; C138-F160 HydrophobicContact CB-CE1 4.17Å; C138-I161 HydrophobicContact CB-CD1 4.29Å; C138-I161 HydrophobicContact CB-CG1 3.78Å
139	L	91.3	Very high	91.4	Very high	14 Å²	14	52 Å²	52	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-68.5	-49.8	178.5	-64.2	-174.9	0	0	0	111.5	N137 M141 Q142 D143 I161 Q172 L176	N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 2.88Å; L139-M141 VanDerWaalsContact C-N 3.28Å; L139-M141 PolarHBondContact O-N 3.5Å; L139-Q142 PolarHBondContact O-N 2.91Å; L139-D143 PolarHBondContact O-N 3.36Å; L139-I161 HydrophobicContact CD2-CD1 3.76Å; L139-I161 HydrophobicContact CD2-CG1 4.14Å; L139-I161 HydrophobicContact CD2-CG2 4.36Å; L139-Q172 HydrophobicContact CD1-CB 3.84Å; L139-Q172 WeakPolarHBondContact CD1-O 3.49Å; L139-L176 HydrophobicContact CD1-CD2 3.88Å; L139-L176 HydrophobicContact CD1-CG 4.3Å; L139-L176 HydrophobicContact CD2-CD2 3.81Å; L139-L176 HydrophobicContact CG-CD2 4.42Å
140	D	91.1	Very high	91.3	Very high	79 Å²	79	51.9 Å²	51.9	42%	0.422	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-34.9	179.4	-60.5	-48.8	0	0	0	110.6	N137 D143 F144 R175	N137-D140 PolarHBondContact O-N 2.86Å; D140-D143 PolarHBondContact O-N 3.23Å; D140-F144 VanDerWaalsContact O-CB 3.23Å; D140-F144 WeakPolarHBondContact O-CB 3.39Å; D140-F144 PolarHBondContact O-N 3.07Å; D140-R175 IonicContact OD1-CZ 3.32Å; D140-R175 IonicContact OD1-NH2 3.69Å; D140-R175 PolarHBondContact OD1-NH2 2.99Å
141	M	92.3	Very high	91.1	Very high	13 Å²	13	52 Å²	52	6%	0.064	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-37.7	174.3	-163.6	67.8	68.1	0	0	112	L129 L133 N137 L139 F144 A145 L153	L129-M141 HydrophobicContact CB-SD 4.04Å; L129-M141 HydrophobicContact CD1-SD 4.25Å; L129-M141 HydrophobicContact CD2-CE 4.14Å; L129-M141 HydrophobicContact CD2-SD 4.18Å; L129-M141 HydrophobicContact CG-SD 4.39Å; L133-M141 HydrophobicContact CD2-CB 3.92Å; L133-M141 HydrophobicContact CD2-CG 3.68Å; N137-M141 VanDerWaalsContact O-CB 3.29Å; N137-M141 WeakPolarHBondContact O-CB 3.27Å; N137-M141 PolarHBondContact O-N 2.99Å; L139-M141 VanDerWaalsContact C-N 3.28Å; L139-M141 PolarHBondContact O-N 3.5Å; M141-F144 HydrophobicContact SD-CD1 4.46Å; M141-A145 VanDerWaalsContact O-CB 3.27Å; M141-A145 WeakPolarHBondContact O-CB 3.4Å; M141-A145 PolarHBondContact O-N 3.07Å; M141-L153 HydrophobicContact CG-CD1 4.15Å; M141-L153 HydrophobicContact CG-CD2 4.26Å; M141-L153 HydrophobicContact CG-CG 4.36Å; M141-L153 HydrophobicContact SD-CD2 4.14Å
142	Q	93.2	Very high	91.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-45.5	173.6	-175	169.8	19.5	0	0	111.2	C138 L139 F144 A145 E146 A157 I161 Y184	C138-Q142 WeakPolarHBondContact O-CB 3.45Å; C138-Q142 PolarHBondContact O-N 3.43Å; L139-Q142 PolarHBondContact O-N 2.91Å; Q142-F144 VanDerWaalsContact C-N 3.31Å; Q142-F144 PolarHBondContact O-N 3.4Å; Q142-A145 PolarHBondContact O-N 3.05Å; Q142-E146 HydrophobicContact CG-CG 4.43Å; Q142-E146 PolarHBondContact NE2-OE1 3.21Å; Q142-E146 WeakPolarHBondContact O-CB 3.45Å; Q142-E146 WeakPolarHBondContact O-CG 3.35Å; Q142-E146 PolarHBondContact O-N 3.05Å; Q142-A157 HydrophobicContact CB-CB 3.84Å; Q142-A157 HydrophobicContact CG-CB 4.42Å; Q142-I161 HydrophobicContact CB-CD1 4.16Å; Q142-Y184 PolarHBondContact OE1-OH 3.38Å
143	D	92.2	Very high	91.2	Very high	63 Å²	63	41.6 Å²	41.6	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-58	-45	175.3	-86.2	-47.5	0	0	0	111.9	L139 D140 E146 A147 R180	L139-D143 PolarHBondContact O-N 3.36Å; D140-D143 PolarHBondContact O-N 3.23Å; D143-E146 PolarHBondContact O-N 3.23Å; D143-A147 WeakPolarHBondContact O-CB 3.13Å; D143-A147 PolarHBondContact O-N 3.47Å; D143-R180 IonicContact OD1-CZ 2.89Å; D143-R180 IonicContact OD1-NH1 3.1Å; D143-R180 PolarHBondContact OD1-NH1 3.45Å; D143-R180 IonicContact OD1-NH2 2.66Å; D143-R180 PolarHBondContact OD1-NH2 3.14Å; D143-R180 IonicContact OD2-NH1 2.62Å; D143-R180 PolarHBondContact OD2-NH1 2.99Å
144	F	91.9	Very high	91.2	Very high	22 Å²	22	41 Å²	41	10%	0.096	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-49.8	174.9	179.2	-100.4	0	0	0	111.4	E107 L110 R111 L129 D140 M141 Q142 E146 A147 F148	E107-F144 HydrophobicContact CB-CZ 4.28Å; E107-F144 HydrophobicContact CG-CE1 4.47Å; E107-F144 HydrophobicContact CG-CE2 4.47Å; E107-F144 HydrophobicContact CG-CZ 4.17Å; L110-F144 HydrophobicContact CB-CZ 4.37Å; L110-F144 HydrophobicContact CD1-CE1 4.1Å; L110-F144 HydrophobicContact CD2-CE1 3.93Å; L110-F144 HydrophobicContact CD2-CZ 3.87Å; L110-F144 HydrophobicContact CG-CE1 4.43Å; R111-F144 HydrophobicContact CG-CE2 4.17Å; R111-F144 HydrophobicContact CG-CZ 4.36Å; L129-F144 HydrophobicContact CD1-CD1 4.37Å; L129-F144 HydrophobicContact CD1-CE1 3.78Å; D140-F144 VanDerWaalsContact O-CB 3.23Å; D140-F144 WeakPolarHBondContact O-CB 3.39Å; D140-F144 PolarHBondContact O-N 3.07Å; M141-F144 HydrophobicContact SD-CD1 4.46Å; Q142-F144 VanDerWaalsContact C-N 3.31Å; Q142-F144 PolarHBondContact O-N 3.4Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 2.89Å; F144-A147 PolarHBondContact O-N 2.94Å; F144-F148 HydrophobicContact CD1-CD2 4.39Å; F144-F148 AromaticContact CD2-CD2 3.71Å; F144-F148 HydrophobicContact CD2-CD2 3.71Å; F144-F148 AromaticContact CD2-CE2 3.5Å; F144-F148 HydrophobicContact CD2-CE2 3.5Å; F144-F148 VanDerWaalsContact CD2-CE2 3.5Å; F144-F148 HydrophobicContact CE1-CD2 4.21Å; F144-F148 AromaticContact CE2-CD2 3.47Å; F144-F148 HydrophobicContact CE2-CD2 3.47Å; F144-F148 VanDerWaalsContact CE2-CD2 3.47Å; F144-F148 AromaticContact CE2-CE2 3.19Å; F144-F148 HydrophobicContact CE2-CE2 3.19Å; F144-F148 HydrophobicContact CE2-CZ 4.2Å; F144-F148 HydrophobicContact CG-CD2 4.16Å; F144-F148 HydrophobicContact CG-CE2 4.38Å; F144-F148 AromaticContact CZ-CD2 3.74Å; F144-F148 HydrophobicContact CZ-CD2 3.74Å; F144-F148 AromaticContact CZ-CE2 3.88Å; F144-F148 HydrophobicContact CZ-CE2 3.88Å; F144-F148 VanDerWaalsContact O-CD2 3.23Å; F144-F148 WeakPolarHBondContact O-CD2 3.39Å; F144-F148 PolarHBondContact O-N 3.38Å; F144-F148 VanDerWaalsContact O-N 3.1Å
145	A	93.4	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-39.2	-179.7	0	0	0	0	0	112.7	M141 Q142 S149 C150 L153 A154	M141-A145 VanDerWaalsContact O-CB 3.27Å; M141-A145 WeakPolarHBondContact O-CB 3.4Å; M141-A145 PolarHBondContact O-N 3.07Å; Q142-A145 PolarHBondContact O-N 3.05Å; A145-S149 PolarHBondContact O-N 3.1Å; A145-S149 VanDerWaalsContact O-N 3.09Å; A145-C150 HydrophobicContact CB-CB 4.22Å; A145-C150 PolarHBondContact O-N 3.24Å; A145-L153 HydrophobicContact CB-CB 3.92Å; A145-L153 HydrophobicContact CB-CD2 3.87Å; A145-L153 HydrophobicContact CB-CG 3.76Å; A145-A154 HydrophobicContact CB-CB 3.74Å
146	E	92.1	Very high	91.4	Very high	67 Å²	67	37.8 Å²	37.8	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-42.1	175.4	-72.5	178.5	173.5	0	0	111.3	Q142 D143 F144 F148 S149 A154 R180 R183	Q142-E146 HydrophobicContact CG-CG 4.43Å; Q142-E146 PolarHBondContact NE2-OE1 3.21Å; Q142-E146 WeakPolarHBondContact O-CB 3.45Å; Q142-E146 WeakPolarHBondContact O-CG 3.35Å; Q142-E146 PolarHBondContact O-N 3.05Å; D143-E146 PolarHBondContact O-N 3.23Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 2.89Å; E146-F148 VanDerWaalsContact C-N 3.32Å; E146-F148 PolarHBondContact O-N 2.82Å; E146-S149 PolarHBondContact O-N 3.31Å; E146-S149 VanDerWaalsContact O-N 3.13Å; E146-A154 HydrophobicContact CG-CB 4.17Å; E146-R180 IonicContact OE2-CZ 3.57Å; E146-R180 IonicContact OE2-NE 2.86Å; E146-R180 IonicContact OE2-NH2 3.48Å; E146-R180 PolarHBondContact OE2-NH2 3.4Å; E146-R183 IonicContact OE1-CZ 3.28Å; E146-R183 VanDerWaalsContact OE1-CZ 3.31Å; E146-R183 IonicContact OE1-NH1 2.79Å; E146-R183 PolarHBondContact OE1-NH1 3.23Å; E146-R183 IonicContact OE1-NH2 3.78Å; E146-R183 PolarHBondContact OE1-NH2 3.21Å
147	A	91.8	Very high	91.7	Very high	76 Å²	76	34.7 Å²	34.7	63%	0.628	22%	0.221	S	C	*	.	H	α-helix	trans	-61.7	-37.8	178.3	0	0	0	0	0	113	D143 F144	D143-A147 WeakPolarHBondContact O-CB 3.13Å; D143-A147 PolarHBondContact O-N 3.47Å; F144-A147 PolarHBondContact O-N 2.94Å
148	F	90.6	Very high	91.9	Very high	42 Å²	42	34.2 Å²	34.2	18%	0.184	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	10.6	177.1	-65.7	-74.7	0	0	0	113.3	L110 R111 D114 K122 F144 E146 C150	L110-F148 HydrophobicContact CD2-CB 3.69Å; L110-F148 HydrophobicContact CD2-CD1 4.31Å; L110-F148 HydrophobicContact CD2-CD2 4.12Å; L110-F148 HydrophobicContact CD2-CG 3.76Å; R111-F148 HydrophobicContact CB-CE1 4.16Å; R111-F148 HydrophobicContact CB-CZ 4.27Å; R111-F148 HydrophobicContact CG-CE1 3.83Å; R111-F148 HydrophobicContact CG-CE2 3.97Å; R111-F148 HydrophobicContact CG-CZ 3.48Å; R111-F148 VanDerWaalsContact CG-CZ 3.48Å; D114-F148 HydrophobicContact CB-CD1 4.16Å; K122-F148 WeakPolarHBondContact CE-O 3.43Å; K122-F148 PolarHBondContact NZ-O 3.1Å; F144-F148 HydrophobicContact CD1-CD2 4.39Å; F144-F148 AromaticContact CD2-CD2 3.71Å; F144-F148 HydrophobicContact CD2-CD2 3.71Å; F144-F148 AromaticContact CD2-CE2 3.5Å; F144-F148 HydrophobicContact CD2-CE2 3.5Å; F144-F148 VanDerWaalsContact CD2-CE2 3.5Å; F144-F148 HydrophobicContact CE1-CD2 4.21Å; F144-F148 AromaticContact CE2-CD2 3.47Å; F144-F148 HydrophobicContact CE2-CD2 3.47Å; F144-F148 VanDerWaalsContact CE2-CD2 3.47Å; F144-F148 AromaticContact CE2-CE2 3.19Å; F144-F148 HydrophobicContact CE2-CE2 3.19Å; F144-F148 HydrophobicContact CE2-CZ 4.2Å; F144-F148 HydrophobicContact CG-CD2 4.16Å; F144-F148 HydrophobicContact CG-CE2 4.38Å; F144-F148 AromaticContact CZ-CD2 3.74Å; F144-F148 HydrophobicContact CZ-CD2 3.74Å; F144-F148 AromaticContact CZ-CE2 3.88Å; F144-F148 HydrophobicContact CZ-CE2 3.88Å; F144-F148 VanDerWaalsContact O-CD2 3.23Å; F144-F148 WeakPolarHBondContact O-CD2 3.39Å; F144-F148 PolarHBondContact O-N 3.38Å; F144-F148 VanDerWaalsContact O-N 3.1Å; E146-F148 VanDerWaalsContact C-N 3.32Å; E146-F148 PolarHBondContact O-N 2.82Å; F148-C150 PolarHBondContact O-N 3.49Å
149	S	89.8	Confident	92	Very high	96 Å²	96	41.9 Å²	41.9	67%	0.671	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	36	-179	-56.9	0	0	0	0	114.1	A145 E146 S151	A145-S149 PolarHBondContact O-N 3.1Å; A145-S149 VanDerWaalsContact O-N 3.09Å; E146-S149 PolarHBondContact O-N 3.31Å; E146-S149 VanDerWaalsContact O-N 3.13Å; S149-S151 PolarHBondContact O-N 3.24Å
150	C	90.2	Very high	92.2	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.034	25%	0.253	C	S	.	.			trans	-86.8	82.1	174.1	-65.5	0	0	0	0	109.7	K122 A145 F148 G152 L153 A154	K122-C150 WeakPolarHBondContact CE-SG 3.44Å; A145-C150 HydrophobicContact CB-CB 4.22Å; A145-C150 PolarHBondContact O-N 3.24Å; F148-C150 PolarHBondContact O-N 3.49Å; C150-G152 VanDerWaalsContact C-N 3.33Å; C150-G152 PolarHBondContact O-N 2.87Å; C150-L153 HydrophobicContact CB-CB 4.17Å; C150-L153 PolarHBondContact O-N 2.89Å; C150-A154 WeakPolarHBondContact O-CB 3.45Å; C150-A154 PolarHBondContact O-N 3.38Å
151	S	88.8	Confident	92.3	Very high	86 Å²	86	39.9 Å²	39.9	60%	0.601	23%	0.233	S	C	*	.	H	α-helix	trans	-60.5	-37.6	-173.7	57.7	0	0	0	0	113.6	S149 S155	S149-S151 PolarHBondContact O-N 3.24Å; S151-S155 VanDerWaalsContact O-CB 3.28Å; S151-S155 WeakPolarHBondContact O-CB 3.39Å; S151-S155 PolarHBondContact O-N 3.46Å; S151-S155 PolarHBondContact O-OG 3.31Å
152	G	89.7	Confident	92.4	Very high	34 Å²	34	39.5 Å²	39.5	35%	0.351	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-50.7	177.4	0	0	0	0	0	112.5	C150 S155 A156	C150-G152 VanDerWaalsContact C-N 3.33Å; C150-G152 PolarHBondContact O-N 2.87Å; G152-S155 PolarHBondContact O-N 3.33Å; G152-A156 WeakPolarHBondContact O-CB 3.35Å; G152-A156 PolarHBondContact O-N 3.06Å
153	L	92.5	Very high	92.4	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-43.2	177.6	-179.3	61.6	0	0	0	111.6	L129 Q130 M141 A145 C150 S155 A156 A157	L129-L153 HydrophobicContact CB-CD1 4.08Å; L129-L153 HydrophobicContact CB-CD2 3.9Å; L129-L153 HydrophobicContact CD1-CD2 3.95Å; Q130-L153 HydrophobicContact CB-CD1 3.95Å; M141-L153 HydrophobicContact CG-CD1 4.15Å; M141-L153 HydrophobicContact CG-CD2 4.26Å; M141-L153 HydrophobicContact CG-CG 4.36Å; M141-L153 HydrophobicContact SD-CD2 4.14Å; A145-L153 HydrophobicContact CB-CB 3.92Å; A145-L153 HydrophobicContact CB-CD2 3.87Å; A145-L153 HydrophobicContact CB-CG 3.76Å; C150-L153 HydrophobicContact CB-CB 4.17Å; C150-L153 PolarHBondContact O-N 2.89Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-S155 PolarHBondContact O-N 3.24Å; L153-A156 PolarHBondContact O-N 2.97Å; L153-A157 WeakPolarHBondContact O-CB 3.38Å; L153-A157 PolarHBondContact O-N 2.98Å
154	A	93.1	Very high	92.3	Very high	12 Å²	12	43.1 Å²	43.1	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-42.7	178.4	0	0	0	0	0	111.7	A145 E146 C150 A157 Q158	A145-A154 HydrophobicContact CB-CB 3.74Å; E146-A154 HydrophobicContact CG-CB 4.17Å; C150-A154 WeakPolarHBondContact O-CB 3.45Å; C150-A154 PolarHBondContact O-N 3.38Å; A154-A157 PolarHBondContact O-N 3.37Å; A154-Q158 WeakPolarHBondContact O-CB 3.48Å; A154-Q158 PolarHBondContact O-N 3.1Å
155	S	92.9	Very high	92.2	Very high	63 Å²	63	42.3 Å²	42.3	44%	0.441	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-34.9	177.2	-55.5	0	0	0	0	112.2	S151 G152 L153 R159	S151-S155 VanDerWaalsContact O-CB 3.28Å; S151-S155 WeakPolarHBondContact O-CB 3.39Å; S151-S155 PolarHBondContact O-N 3.46Å; S151-S155 PolarHBondContact O-OG 3.31Å; G152-S155 PolarHBondContact O-N 3.33Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-S155 PolarHBondContact O-N 3.24Å; S155-R159 WeakPolarHBondContact O-CB 3.37Å; S155-R159 WeakPolarHBondContact O-CG 3.5Å; S155-R159 PolarHBondContact O-N 3.27Å; S155-R159 VanDerWaalsContact O-N 3.07Å; S155-R159 PolarHBondContact O-NE 3.48Å
156	A	92.6	Very high	91.7	Very high	6 Å²	6	45.8 Å²	45.8	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-45.1	174.1	0	0	0	0	0	111.9	Q130 L133 G152 L153 R159 F160	Q130-A156 VanDerWaalsContact CD-CB 3.44Å; Q130-A156 HydrophobicContact CG-CB 3.64Å; L133-A156 HydrophobicContact CD1-CB 4.24Å; G152-A156 WeakPolarHBondContact O-CB 3.35Å; G152-A156 PolarHBondContact O-N 3.06Å; L153-A156 PolarHBondContact O-N 2.97Å; A156-R159 PolarHBondContact O-N 3.31Å; A156-F160 WeakPolarHBondContact O-CB 3.5Å; A156-F160 PolarHBondContact O-N 3.48Å
157	A	94.6	Very high	91.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-45.1	175.2	0	0	0	0	0	111.2	L133 Q142 L153 A154 R159 F160 I161	L133-A157 HydrophobicContact CD2-CB 4Å; Q142-A157 HydrophobicContact CB-CB 3.84Å; Q142-A157 HydrophobicContact CG-CB 4.42Å; L153-A157 WeakPolarHBondContact O-CB 3.38Å; L153-A157 PolarHBondContact O-N 2.98Å; A154-A157 PolarHBondContact O-N 3.37Å; A157-R159 PolarHBondContact O-N 2.93Å; A157-F160 WeakPolarHBondContact O-CB 3.48Å; A157-F160 PolarHBondContact O-N 3.45Å; A157-I161 WeakPolarHBondContact O-CB 3.34Å; A157-I161 WeakPolarHBondContact O-CD1 3.44Å; A157-I161 VanDerWaalsContact O-CG1 3.22Å; A157-I161 WeakPolarHBondContact O-CG1 3.43Å; A157-I161 PolarHBondContact O-N 3.31Å
158	Q	94.4	Very high	91.2	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-49.3	174.6	-178.6	164	-31.7	0	0	111.9	A154 F160 I161 L162 Y184 D187	A154-Q158 WeakPolarHBondContact O-CB 3.48Å; A154-Q158 PolarHBondContact O-N 3.1Å; Q158-F160 VanDerWaalsContact C-N 3.29Å; Q158-F160 PolarHBondContact O-N 2.93Å; Q158-I161 PolarHBondContact O-N 3.42Å; Q158-L162 HydrophobicContact CG-CD1 3.87Å; Q158-L162 HydrophobicContact CG-CG 4.21Å; Q158-L162 WeakPolarHBondContact O-CB 3.25Å; Q158-L162 VanDerWaalsContact O-CG 3.25Å; Q158-L162 WeakPolarHBondContact O-CG 3.45Å; Q158-L162 PolarHBondContact O-N 2.89Å; Q158-Y184 HydrophobicContact CG-CE1 4.29Å; Q158-D187 PolarHBondContact NE2-OD2 3.01Å
159	R	94.2	Very high	90.8	Very high	160 Å²	160	44.9 Å²	44.9	60%	0.604	27%	0.267	S	S	*	.	H	α-helix	trans	-60.3	-39.9	178.2	-75.8	-178.5	-66	156.1	-2.2	112.2	S155 A156 A157 R163	S155-R159 WeakPolarHBondContact O-CB 3.37Å; S155-R159 WeakPolarHBondContact O-CG 3.5Å; S155-R159 PolarHBondContact O-N 3.27Å; S155-R159 VanDerWaalsContact O-N 3.07Å; S155-R159 PolarHBondContact O-NE 3.48Å; A156-R159 PolarHBondContact O-N 3.31Å; A157-R159 PolarHBondContact O-N 2.93Å; R159-R163 WeakPolarHBondContact O-CB 3.39Å; R159-R163 PolarHBondContact O-N 2.93Å; R159-R163 VanDerWaalsContact O-N 3.1Å
160	F	94.6	Very high	90.4	Very high	50 Å²	50	41.9 Å²	41.9	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-47.1	175.6	-173.8	-90.4	0	0	0	111.6	L133 L135 C138 A156 A157 Q158 L162 R163 H164	L133-F160 HydrophobicContact CB-CD2 4.49Å; L133-F160 HydrophobicContact CB-CG 4.48Å; L133-F160 HydrophobicContact CD1-CB 4.46Å; L135-F160 HydrophobicContact CD2-CE1 4.01Å; L135-F160 HydrophobicContact CD2-CZ 4.31Å; C138-F160 HydrophobicContact CB-CD1 3.81Å; C138-F160 HydrophobicContact CB-CE1 4.17Å; A156-F160 WeakPolarHBondContact O-CB 3.5Å; A156-F160 PolarHBondContact O-N 3.48Å; A157-F160 WeakPolarHBondContact O-CB 3.48Å; A157-F160 PolarHBondContact O-N 3.45Å; Q158-F160 VanDerWaalsContact C-N 3.29Å; Q158-F160 PolarHBondContact O-N 2.93Å; F160-L162 PolarHBondContact O-N 3.49Å; F160-R163 PolarHBondContact O-N 3.22Å; F160-H164 AromaticContact CE2-CD2 3.82Å; F160-H164 AromaticContact CE2-NE2 3.99Å; F160-H164 AromaticContact CZ-CD2 3.88Å; F160-H164 PolarHBondContact O-CD2 3.22Å; F160-H164 PolarHBondContact O-N 2.87Å; F160-H164 VanDerWaalsContact O-N 3.07Å
161	I	94.1	Very high	90.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-47.6	177.2	-69.4	157.9	0	0	0	111.2	C138 L139 Q142 A157 Q158 R163 H164 V165 L168 Y184	C138-I161 HydrophobicContact CB-CD1 4.29Å; C138-I161 HydrophobicContact CB-CG1 3.78Å; L139-I161 HydrophobicContact CD2-CD1 3.76Å; L139-I161 HydrophobicContact CD2-CG1 4.14Å; L139-I161 HydrophobicContact CD2-CG2 4.36Å; Q142-I161 HydrophobicContact CB-CD1 4.16Å; A157-I161 WeakPolarHBondContact O-CB 3.34Å; A157-I161 WeakPolarHBondContact O-CD1 3.44Å; A157-I161 VanDerWaalsContact O-CG1 3.22Å; A157-I161 WeakPolarHBondContact O-CG1 3.43Å; A157-I161 PolarHBondContact O-N 3.31Å; Q158-I161 PolarHBondContact O-N 3.42Å; I161-R163 PolarHBondContact O-N 3.42Å; I161-H164 CarbonylContact O-C 3.55Å; I161-H164 PolarHBondContact O-N 2.9Å; I161-V165 WeakPolarHBondContact O-CA 3.37Å; I161-V165 WeakPolarHBondContact O-CB 3.45Å; I161-V165 PolarHBondContact O-N 3.34Å; I161-L168 HydrophobicContact CG2-CD1 4.25Å; I161-Y184 HydrophobicContact CG2-CD2 4.36Å; I161-Y184 HydrophobicContact CG2-CE1 4.28Å; I161-Y184 HydrophobicContact CG2-CE2 3.88Å
162	L	94.3	Very high	90.1	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-35.4	179.2	-70.7	174.5	0	0	0	111.7	Q158 F160 Y184 D187 L190 C191	Q158-L162 HydrophobicContact CG-CD1 3.87Å; Q158-L162 HydrophobicContact CG-CG 4.21Å; Q158-L162 WeakPolarHBondContact O-CB 3.25Å; Q158-L162 VanDerWaalsContact O-CG 3.25Å; Q158-L162 WeakPolarHBondContact O-CG 3.45Å; Q158-L162 PolarHBondContact O-N 2.89Å; F160-L162 PolarHBondContact O-N 3.49Å; L162-Y184 HydrophobicContact CD2-CD1 3.97Å; L162-Y184 HydrophobicContact CD2-CG 4.21Å; L162-D187 HydrophobicContact CD1-CB 4.09Å; L162-D187 VanDerWaalsContact CD1-CG 3.47Å; L162-D187 WeakPolarHBondContact CD1-OD2 3.44Å; L162-D187 HydrophobicContact CD2-CB 4.11Å; L162-L190 HydrophobicContact CD2-CB 4.09Å; L162-L190 HydrophobicContact CD2-CD1 3.69Å; L162-C191 WeakPolarHBondContact O-CB 3.46Å; L162-C191 PolarHBondContact O-N 2.82Å
163	R	92.9	Very high	90	Very high	97 Å²	97	46 Å²	46	37%	0.366	25%	0.248	S	C	.	.	H	α-helix	trans	-70.8	-37.2	177.8	-171.9	171.9	177.9	171	-6	113.4	R159 F160 I161 F567	R159-R163 WeakPolarHBondContact O-CB 3.39Å; R159-R163 PolarHBondContact O-N 2.93Å; R159-R163 VanDerWaalsContact O-N 3.1Å; F160-R163 PolarHBondContact O-N 3.22Å; I161-R163 PolarHBondContact O-N 3.42Å; R163-F567 VanDerWaalsContact NH2-CB 3.28Å; R163-F567 PolarHBondContact NH2-O 3.49Å
164	H	90.6	Very high	89.8	Confident	41 Å²	41	48.9 Å²	48.9	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-112.5	19.5	-173	-63.1	-76	0	0	0	113.8	L135 F160 I161 G166 E167 L168	L135-H164 HydrophobicContact CD2-CB 3.44Å; L135-H164 VanDerWaalsContact CD2-CB 3.44Å; F160-H164 AromaticContact CE2-CD2 3.82Å; F160-H164 AromaticContact CE2-NE2 3.99Å; F160-H164 AromaticContact CZ-CD2 3.88Å; F160-H164 PolarHBondContact O-CD2 3.22Å; F160-H164 PolarHBondContact O-N 2.87Å; F160-H164 VanDerWaalsContact O-N 3.07Å; I161-H164 CarbonylContact O-C 3.55Å; I161-H164 PolarHBondContact O-N 2.9Å; H164-G166 PolarHBondContact O-N 3.44Å; H164-G166 VanDerWaalsContact O-N 3.11Å; H164-E167 IonicContact CE1-OE1 3.81Å; H164-E167 IonicContact CG-OE1 2.83Å; H164-E167 IonicContact ND1-OE1 3.49Å; H164-E167 PolarHBondContact ND1-OE1 3.28Å; H164-E167 IonicContact ND1-OE2 2.78Å; H164-E167 WeakPolarHBondContact O-CB 3.34Å; H164-E167 PolarHBondContact O-N 2.91Å; H164-L168 PolarHBondContact O-N 3.44Å
165	V	88.7	Confident	89.6	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.036	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.8	-174.7	76.5	0	0	0	0	113	I161 E167 L168 L190 V192 L201	I161-V165 WeakPolarHBondContact O-CA 3.37Å; I161-V165 WeakPolarHBondContact O-CB 3.45Å; I161-V165 PolarHBondContact O-N 3.34Å; V165-E167 VanDerWaalsContact C-N 3.29Å; V165-E167 PolarHBondContact O-N 3.15Å; V165-L168 HydrophobicContact CG2-CD1 4.17Å; V165-L190 HydrophobicContact CB-CD1 4.08Å; V165-L190 HydrophobicContact CG1-CD1 3.73Å; V165-L190 HydrophobicContact CG1-CG 4.44Å; V165-L190 HydrophobicContact CG2-CD1 4.18Å; V165-V192 HydrophobicContact CG1-CG1 4.2Å; V165-L201 HydrophobicContact CG2-CD1 3.91Å; V165-L201 HydrophobicContact CG2-CD2 3.84Å
166	G	83.9	Confident	89.5	Confident	73 Å²	73	54.3 Å²	54.3	75%	0.753	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.8	178.1	0	0	0	0	0	114	H164	H164-G166 PolarHBondContact O-N 3.44Å; H164-G166 VanDerWaalsContact O-N 3.11Å
167	E	86.8	Confident	89.6	Confident	120 Å²	120	57.1 Å²	57.1	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.2	179	-62.1	171.4	-130.2	0	0	112.3	L135 H164 V165	L135-E167 HydrophobicContact CD1-CB 4.26Å; L135-E167 HydrophobicContact CD2-CB 4.36Å; H164-E167 IonicContact CE1-OE1 3.81Å; H164-E167 IonicContact CG-OE1 2.83Å; H164-E167 IonicContact ND1-OE1 3.49Å; H164-E167 PolarHBondContact ND1-OE1 3.28Å; H164-E167 IonicContact ND1-OE2 2.78Å; H164-E167 WeakPolarHBondContact O-CB 3.34Å; H164-E167 PolarHBondContact O-N 2.91Å; V165-E167 VanDerWaalsContact C-N 3.29Å; V165-E167 PolarHBondContact O-N 3.15Å
168	L	87	Confident	89.5	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.063	30%	0.297	C	S	.	.	S	Bend	trans	-62.4	140.2	178.5	-67.7	175.9	0	0	0	111.6	I161 H164 V165	I161-L168 HydrophobicContact CG2-CD1 4.25Å; H164-L168 PolarHBondContact O-N 3.44Å; V165-L168 HydrophobicContact CG2-CD1 4.17Å
169	G	81.8	Confident	89.5	Confident	33 Å²	33	60.7 Å²	60.7	34%	0.34	32%	0.32	S	S	.	.			trans	-63.1	153.3	176.4	0	0	0	0	0	112.4	E171 Q172 L173	G169-E171 VanDerWaalsContact C-N 3.33Å; G169-E171 PolarHBondContact O-N 3.31Å; G169-Q172 VanDerWaalsContact N-OE1 3.09Å; G169-Q172 PolarHBondContact O-N 3.47Å; G169-L173 PolarHBondContact O-N 3.25Å; G169-L173 VanDerWaalsContact O-N 3.17Å
170	A	82	Confident	89.5	Confident	34 Å²	34	54.5 Å²	54.5	28%	0.281	30%	0.296	S	S	.	.	H	α-helix	trans	-51.5	-52.6	177.1	0	0	0	0	0	112	Q172 L173 E174	A170-Q172 VanDerWaalsContact C-N 3.31Å; A170-Q172 PolarHBondContact O-N 2.68Å; A170-L173 PolarHBondContact O-N 3.23Å; A170-E174 WeakPolarHBondContact O-CB 3.38Å; A170-E174 WeakPolarHBondContact O-CG 3.46Å; A170-E174 PolarHBondContact O-N 2.9Å
171	E	84.6	Confident	89.5	Confident	158 Å²	158	52.1 Å²	52.1	74%	0.738	29%	0.286	S	S	*	.	H	α-helix	trans	-64.6	-36.1	-174	-59.5	-177.6	171.9	0	0	112.2	G169 E174 R175	G169-E171 VanDerWaalsContact C-N 3.33Å; G169-E171 PolarHBondContact O-N 3.31Å; E171-E174 PolarHBondContact O-N 3.36Å; E171-R175 PolarHBondContact O-N 3.25Å; E171-R175 VanDerWaalsContact O-N 3.11Å
172	Q	86.8	Confident	89.6	Confident	47 Å²	47	53 Å²	53	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-46	177.1	-70.6	178.3	-45.6	0	0	111.1	L135 A136 L139 G169 A170 E174 R175	L135-Q172 PolarHBondContact O-NE2 3.32Å; A136-Q172 PolarHBondContact O-NE2 2.97Å; L139-Q172 HydrophobicContact CD1-CB 3.84Å; L139-Q172 WeakPolarHBondContact CD1-O 3.49Å; G169-Q172 VanDerWaalsContact N-OE1 3.09Å; G169-Q172 PolarHBondContact O-N 3.47Å; A170-Q172 VanDerWaalsContact C-N 3.31Å; A170-Q172 PolarHBondContact O-N 2.68Å; Q172-E174 VanDerWaalsContact C-N 3.32Å; Q172-E174 PolarHBondContact O-N 3.28Å; Q172-R175 PolarHBondContact O-N 2.92Å
173	L	87	Confident	89.6	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-42.6	177.3	-171.7	74	0	0	0	111	G169 A170 R175 L176 L201 R204 W205	G169-L173 PolarHBondContact O-N 3.25Å; G169-L173 VanDerWaalsContact O-N 3.17Å; A170-L173 PolarHBondContact O-N 3.23Å; L173-R175 VanDerWaalsContact C-N 3.27Å; L173-R175 PolarHBondContact O-N 3.47Å; L173-L176 HydrophobicContact CD1-CD1 3.9Å; L173-L176 WeakPolarHBondContact O-CB 3.42Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-L176 VanDerWaalsContact O-N 3.13Å; L173-L201 HydrophobicContact CD1-CD1 3.65Å; L173-L201 HydrophobicContact CD1-CD2 4.4Å; L173-L201 HydrophobicContact CD1-CG 3.98Å; L173-L201 HydrophobicContact CD2-CD1 3.71Å; L173-L201 HydrophobicContact CD2-CG 4.1Å; L173-L201 HydrophobicContact CG-CD1 4.36Å; L173-R204 HydrophobicContact CD2-CB 4.47Å; L173-R204 HydrophobicContact CD2-CG 4.4Å; L173-W205 VanDerWaalsContact O-CD1 3.31Å
174	E	88.8	Confident	89.7	Confident	67 Å²	67	52.5 Å²	52.5	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-25.3	-177.5	-69.8	172.4	-161.4	0	0	113.4	A170 E171 Q172 L176 A208 R213	A170-E174 WeakPolarHBondContact O-CB 3.38Å; A170-E174 WeakPolarHBondContact O-CG 3.46Å; A170-E174 PolarHBondContact O-N 2.9Å; E171-E174 PolarHBondContact O-N 3.36Å; Q172-E174 VanDerWaalsContact C-N 3.32Å; Q172-E174 PolarHBondContact O-N 3.28Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-A208 HydrophobicContact CB-CB 4.21Å; E174-A208 HydrophobicContact CG-CB 3.49Å; E174-A208 VanDerWaalsContact CG-CB 3.49Å; E174-R213 PolarHBondContact O-NH1 2.96Å; E174-R213 PolarHBondContact O-NH2 3.05Å
175	R	89.4	Confident	89.8	Confident	179 Å²	179	50.6 Å²	50.6	68%	0.675	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-17.2	172.1	-93.5	178.4	56.5	177.4	-10.8	114	D140 E171 Q172 L173	D140-R175 IonicContact OD1-CZ 3.32Å; D140-R175 IonicContact OD1-NH2 3.69Å; D140-R175 PolarHBondContact OD1-NH2 2.99Å; E171-R175 PolarHBondContact O-N 3.25Å; E171-R175 VanDerWaalsContact O-N 3.11Å; Q172-R175 PolarHBondContact O-N 2.92Å; L173-R175 VanDerWaalsContact C-N 3.27Å; L173-R175 PolarHBondContact O-N 3.47Å
176	L	91.4	Very high	90.1	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.047	30%	0.302	C	S	.	.	S	Bend	trans	-66.4	137.5	-173.7	-71.6	175.3	0	0	0	112.5	L139 L173 E174 R180 Y184 W205	L139-L176 HydrophobicContact CD1-CD2 3.88Å; L139-L176 HydrophobicContact CD1-CG 4.3Å; L139-L176 HydrophobicContact CD2-CD2 3.81Å; L139-L176 HydrophobicContact CG-CD2 4.42Å; L173-L176 HydrophobicContact CD1-CD1 3.9Å; L173-L176 WeakPolarHBondContact O-CB 3.42Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-L176 VanDerWaalsContact O-N 3.13Å; E174-L176 VanDerWaalsContact C-N 3.3Å; L176-R180 HydrophobicContact CD2-CG 4.39Å; L176-Y184 HydrophobicContact CD1-CD2 4.32Å; L176-Y184 HydrophobicContact CD1-CE2 4Å; L176-Y184 HydrophobicContact CD2-CE2 4.28Å; L176-W205 PolarHBondContact O-NE1 3.26Å
177	P	93.1	Very high	90.5	Very high	66 Å²	66	55.7 Å²	55.7	43%	0.429	28%	0.279	S	S	.	.			trans	-70.9	148.6	169.1	29.6	-32.4	0	0	0	110.6	A179 R180 L181	P177-A179 VanDerWaalsContact C-N 3.28Å; P177-A179 PolarHBondContact O-N 3.02Å; P177-R180 HydrophobicContact CG-CB 3.82Å; P177-R180 PolarHBondContact O-N 3.2Å; P177-L181 PolarHBondContact O-N 3.38Å; P177-L181 VanDerWaalsContact O-N 3.16Å
178	L	94	Very high	90.7	Very high	32 Å²	32	54.2 Å²	54.2	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-51.3	-45.5	-178.5	175.7	65.9	0	0	0	112.9	R180 L181 L182 W205 H216 L220	L178-R180 PolarHBondContact O-N 3.17Å; L178-L181 PolarHBondContact O-N 3.04Å; L178-L182 HydrophobicContact CD1-CD1 4.05Å; L178-L182 HydrophobicContact CD1-CG 4.11Å; L178-L182 HydrophobicContact CD2-CD1 4.49Å; L178-L182 HydrophobicContact CG-CD1 3.9Å; L178-L182 HydrophobicContact CG-CG 4.37Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.38Å; L178-W205 HydrophobicContact CB-CH2 3.93Å; L178-W205 HydrophobicContact CB-CZ2 4.2Å; L178-W205 HydrophobicContact CD1-CH2 3.95Å; L178-W205 HydrophobicContact CD1-CZ3 4.01Å; L178-W205 HydrophobicContact CG-CH2 4.49Å; L178-H216 HydrophobicContact CD1-CB 3.95Å; L178-H216 HydrophobicContact CD2-CB 3.84Å; L178-H216 VanDerWaalsContact CD2-CG 3.49Å; L178-H216 VanDerWaalsContact CD2-ND1 3.32Å; L178-H216 WeakPolarHBondContact CD2-ND1 2.91Å; L178-L220 HydrophobicContact CD1-CD1 4.18Å; L178-L220 HydrophobicContact CD1-CD2 3.9Å; L178-L220 HydrophobicContact CD1-CG 3.95Å
179	A	94.4	Very high	91	Very high	79 Å²	79	55.5 Å²	55.5	65%	0.653	29%	0.291	S	S	*	.	H	α-helix	trans	-59.3	-37.3	-177.9	0	0	0	0	0	112.3	P177 R183	P177-A179 VanDerWaalsContact C-N 3.28Å; P177-A179 PolarHBondContact O-N 3.02Å; A179-R183 PolarHBondContact O-N 3.03Å
180	R	93.3	Very high	91.5	Very high	29 Å²	29	53.9 Å²	53.9	11%	0.109	28%	0.275	C	S	.	.	H	α-helix	trans	-75.7	-40.7	-179.9	-172.3	167.4	-71.9	150.3	-3.5	111.7	D143 E146 L176 P177 L178 L182 R183 Y184	D143-R180 IonicContact OD1-CZ 2.89Å; D143-R180 IonicContact OD1-NH1 3.1Å; D143-R180 PolarHBondContact OD1-NH1 3.45Å; D143-R180 IonicContact OD1-NH2 2.66Å; D143-R180 PolarHBondContact OD1-NH2 3.14Å; D143-R180 IonicContact OD2-NH1 2.62Å; D143-R180 PolarHBondContact OD2-NH1 2.99Å; E146-R180 IonicContact OE2-CZ 3.57Å; E146-R180 IonicContact OE2-NE 2.86Å; E146-R180 IonicContact OE2-NH2 3.48Å; E146-R180 PolarHBondContact OE2-NH2 3.4Å; L176-R180 HydrophobicContact CD2-CG 4.39Å; P177-R180 HydrophobicContact CG-CB 3.82Å; P177-R180 PolarHBondContact O-N 3.2Å; L178-R180 PolarHBondContact O-N 3.17Å; R180-L182 PolarHBondContact O-N 3.42Å; R180-R183 WeakPolarHBondContact O-CB 3.36Å; R180-R183 PolarHBondContact O-N 3.39Å; R180-Y184 VanDerWaalsContact CD-OH 3.25Å; R180-Y184 WeakPolarHBondContact CD-OH 3.45Å; R180-Y184 HydrophobicContact CG-CD2 4.39Å; R180-Y184 HydrophobicContact CG-CE1 4.03Å; R180-Y184 HydrophobicContact CG-CE2 3.64Å; R180-Y184 VanDerWaalsContact CG-CZ 3.43Å; R180-Y184 WeakPolarHBondContact CG-OH 3.28Å; R180-Y184 WeakPolarHBondContact O-CD2 3.38Å; R180-Y184 PolarHBondContact O-N 3.47Å
181	L	94.7	Very high	92.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-43.1	173.9	-178.8	60.6	0	0	0	111.7	P177 L178 R183 Y184 L185 L201 W205 L220	P177-L181 PolarHBondContact O-N 3.38Å; P177-L181 VanDerWaalsContact O-N 3.16Å; L178-L181 PolarHBondContact O-N 3.04Å; L181-R183 VanDerWaalsContact C-N 3.32Å; L181-R183 PolarHBondContact O-N 3.08Å; L181-Y184 PolarHBondContact O-N 3.45Å; L181-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 HydrophobicContact CD1-CG 4.27Å; L181-L185 HydrophobicContact CG-CD1 4.03Å; L181-L185 HydrophobicContact CG-CG 4.47Å; L181-L185 WeakPolarHBondContact O-CG 3.16Å; L181-L185 PolarHBondContact O-N 3.33Å; L181-L201 HydrophobicContact CD1-CD2 3.89Å; L181-W205 HydrophobicContact CD2-CB 3.59Å; L181-W205 HydrophobicContact CD2-CD2 3.69Å; L181-W205 HydrophobicContact CD2-CE3 4.21Å; L181-W205 HydrophobicContact CD2-CG 3.39Å; L181-L220 HydrophobicContact CD2-CD2 3.69Å; L181-L220 HydrophobicContact CG-CD2 3.94Å
182	L	95.7	Very high	92.5	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-40.5	174.5	-75.3	172	0	0	0	112	L178 R180 Y184 L185 R186 Q219 L220 A223	L178-L182 HydrophobicContact CD1-CD1 4.05Å; L178-L182 HydrophobicContact CD1-CG 4.11Å; L178-L182 HydrophobicContact CD2-CD1 4.49Å; L178-L182 HydrophobicContact CG-CD1 3.9Å; L178-L182 HydrophobicContact CG-CG 4.37Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.38Å; R180-L182 PolarHBondContact O-N 3.42Å; L182-Y184 VanDerWaalsContact C-N 3.33Å; L182-Y184 PolarHBondContact O-N 3.07Å; L182-L185 PolarHBondContact O-N 3.09Å; L182-R186 WeakPolarHBondContact O-CB 3.39Å; L182-R186 VanDerWaalsContact O-CG 3.26Å; L182-R186 WeakPolarHBondContact O-CG 3.26Å; L182-R186 PolarHBondContact O-N 2.81Å; L182-R186 VanDerWaalsContact O-N 3.08Å; L182-Q219 HydrophobicContact CD1-CB 4.46Å; L182-Q219 HydrophobicContact CD2-CB 4.39Å; L182-Q219 VanDerWaalsContact CD2-O 3.27Å; L182-Q219 WeakPolarHBondContact CD2-O 3.37Å; L182-L220 HydrophobicContact CD2-CD2 3.82Å; L182-L220 HydrophobicContact CD2-CG 4.36Å; L182-L220 HydrophobicContact CG-CD2 4.17Å; L182-A223 HydrophobicContact CD2-CB 4.05Å
183	R	94.3	Very high	92.6	Very high	92 Å²	92	49.8 Å²	49.8	35%	0.347	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-46	174.8	-173.4	173.1	64.5	177.8	-1.7	110.6	E146 A179 R180 L181 D187	E146-R183 IonicContact OE1-CZ 3.28Å; E146-R183 VanDerWaalsContact OE1-CZ 3.31Å; E146-R183 IonicContact OE1-NH1 2.79Å; E146-R183 PolarHBondContact OE1-NH1 3.23Å; E146-R183 IonicContact OE1-NH2 3.78Å; E146-R183 PolarHBondContact OE1-NH2 3.21Å; A179-R183 PolarHBondContact O-N 3.03Å; R180-R183 WeakPolarHBondContact O-CB 3.36Å; R180-R183 PolarHBondContact O-N 3.39Å; L181-R183 VanDerWaalsContact C-N 3.32Å; L181-R183 PolarHBondContact O-N 3.08Å; R183-D187 WeakPolarHBondContact O-CB 3.47Å; R183-D187 PolarHBondContact O-N 3.49Å
184	Y	94.5	Very high	92.9	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-43.1	178.5	-58	-30.4	0	0	0	113.6	Q142 Q158 I161 L162 L176 R180 L181 L182 R186 D187	Q142-Y184 PolarHBondContact OE1-OH 3.38Å; Q158-Y184 HydrophobicContact CG-CE1 4.29Å; I161-Y184 HydrophobicContact CG2-CD2 4.36Å; I161-Y184 HydrophobicContact CG2-CE1 4.28Å; I161-Y184 HydrophobicContact CG2-CE2 3.88Å; L162-Y184 HydrophobicContact CD2-CD1 3.97Å; L162-Y184 HydrophobicContact CD2-CG 4.21Å; L176-Y184 HydrophobicContact CD1-CD2 4.32Å; L176-Y184 HydrophobicContact CD1-CE2 4Å; L176-Y184 HydrophobicContact CD2-CE2 4.28Å; R180-Y184 VanDerWaalsContact CD-OH 3.25Å; R180-Y184 WeakPolarHBondContact CD-OH 3.45Å; R180-Y184 HydrophobicContact CG-CD2 4.39Å; R180-Y184 HydrophobicContact CG-CE1 4.03Å; R180-Y184 HydrophobicContact CG-CE2 3.64Å; R180-Y184 VanDerWaalsContact CG-CZ 3.43Å; R180-Y184 WeakPolarHBondContact CG-OH 3.28Å; R180-Y184 WeakPolarHBondContact O-CD2 3.38Å; R180-Y184 PolarHBondContact O-N 3.47Å; L181-Y184 PolarHBondContact O-N 3.45Å; L182-Y184 VanDerWaalsContact C-N 3.33Å; L182-Y184 PolarHBondContact O-N 3.07Å; Y184-R186 VanDerWaalsContact C-N 3.31Å; Y184-R186 PolarHBondContact O-N 2.74Å; Y184-D187 PolarHBondContact O-N 2.92Å
185	L	94.6	Very high	93.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-36.2	-179.1	-73.5	171.5	0	0	0	112.6	L181 L182 L190 A198 L201 A202 L220 A223 R279	L181-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 HydrophobicContact CD1-CG 4.27Å; L181-L185 HydrophobicContact CG-CD1 4.03Å; L181-L185 HydrophobicContact CG-CG 4.47Å; L181-L185 WeakPolarHBondContact O-CG 3.16Å; L181-L185 PolarHBondContact O-N 3.33Å; L182-L185 PolarHBondContact O-N 3.09Å; L185-L190 HydrophobicContact CD2-CD2 4.32Å; L185-A198 HydrophobicContact CD2-CB 4.14Å; L185-L201 HydrophobicContact CD2-CD2 3.98Å; L185-A202 HydrophobicContact CD1-CB 3.93Å; L185-L220 HydrophobicContact CD1-CD2 3.76Å; L185-A223 HydrophobicContact CB-CB 3.65Å; L185-A223 HydrophobicContact CD1-CB 4.31Å; L185-R279 PolarHBondContact O-NH1 3.23Å; L185-R279 PolarHBondContact O-NH2 2.89Å
186	R	93.9	Very high	93.4	Very high	138 Å²	138	43.2 Å²	43.2	52%	0.521	24%	0.239	S	C	.	.	H	α-helix	trans	-75.9	-25.6	178.5	-70	175.5	175.9	178.9	-3.4	113.3	L182 Y184 A223	L182-R186 WeakPolarHBondContact O-CB 3.39Å; L182-R186 VanDerWaalsContact O-CG 3.26Å; L182-R186 WeakPolarHBondContact O-CG 3.26Å; L182-R186 PolarHBondContact O-N 2.81Å; L182-R186 VanDerWaalsContact O-N 3.08Å; Y184-R186 VanDerWaalsContact C-N 3.31Å; Y184-R186 PolarHBondContact O-N 2.74Å; R186-A223 HydrophobicContact CG-CB 3.81Å
187	D	93.4	Very high	93.5	Very high	49 Å²	49	44.6 Å²	44.6	26%	0.262	25%	0.251	S	S	.	.			trans	-66.2	131.4	-176.9	-158.9	-52	0	0	0	111.7	Q158 L162 R183 Y184 G189 L190 R279	Q158-D187 PolarHBondContact NE2-OD2 3.01Å; L162-D187 HydrophobicContact CD1-CB 4.09Å; L162-D187 VanDerWaalsContact CD1-CG 3.47Å; L162-D187 WeakPolarHBondContact CD1-OD2 3.44Å; L162-D187 HydrophobicContact CD2-CB 4.11Å; R183-D187 WeakPolarHBondContact O-CB 3.47Å; R183-D187 PolarHBondContact O-N 3.49Å; Y184-D187 PolarHBondContact O-N 2.92Å; D187-G189 PolarHBondContact O-N 3.19Å; D187-G189 WeakPolarHBondContact OD1-CA 3.37Å; D187-G189 PolarHBondContact OD1-N 2.9Å; D187-L190 WeakPolarHBondContact O-CB 3.28Å; D187-L190 PolarHBondContact O-N 3.26Å; D187-R279 PolarHBondContact O-NH1 2.81Å
188	D	91	Very high	93.6	Very high	89 Å²	89	41.5 Å²	41.5	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24	175.3	-81.3	-47.7	0	0	0	112.6	L190 R225 P280	D188-L190 VanDerWaalsContact C-N 3.25Å; D188-L190 PolarHBondContact O-N 3.25Å; D188-R225 IonicContact OD1-CZ 3.97Å; D188-R225 IonicContact OD1-NH1 2.71Å; D188-R225 PolarHBondContact OD1-NH1 3.38Å; D188-R225 IonicContact OD1-NH2 3.69Å; D188-R225 PolarHBondContact OD1-NH2 3.37Å; D188-P280 HydrophobicContact CB-CG 4.4Å
189	G	91.6	Very high	93.7	Very high	38 Å²	38	40 Å²	40	39%	0.392	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6	178.1	0	0	0	0	0	114.7	D187 C191	D187-G189 PolarHBondContact O-N 3.19Å; D187-G189 WeakPolarHBondContact OD1-CA 3.37Å; D187-G189 PolarHBondContact OD1-N 2.9Å; G189-C191 PolarHBondContact O-N 3.4Å; G189-C191 PolarHBondContact O-SG 3.35Å
190	L	93.9	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.			trans	-60.1	118	176.5	-173.9	74.2	0	0	0	110.6	L162 V165 L185 D187 D188 V192 A198 R279 S281	L162-L190 HydrophobicContact CD2-CB 4.09Å; L162-L190 HydrophobicContact CD2-CD1 3.69Å; V165-L190 HydrophobicContact CB-CD1 4.08Å; V165-L190 HydrophobicContact CG1-CD1 3.73Å; V165-L190 HydrophobicContact CG1-CG 4.44Å; V165-L190 HydrophobicContact CG2-CD1 4.18Å; L185-L190 HydrophobicContact CD2-CD2 4.32Å; D187-L190 WeakPolarHBondContact O-CB 3.28Å; D187-L190 PolarHBondContact O-N 3.26Å; D188-L190 VanDerWaalsContact C-N 3.25Å; D188-L190 PolarHBondContact O-N 3.25Å; L190-V192 HydrophobicContact CD2-CG1 4.23Å; L190-V192 HydrophobicContact CG-CG1 4.26Å; L190-V192 PolarHBondContact O-N 3.18Å; L190-A198 HydrophobicContact CD2-CB 4.28Å; L190-R279 VanDerWaalsContact O-CD 3.26Å; L190-R279 WeakPolarHBondContact O-CD 3.43Å; L190-S281 WeakPolarHBondContact O-CB 3.35Å; L190-S281 PolarHBondContact O-OG 2.99Å; L190-S281 VanDerWaalsContact O-OG 3.07Å
191	C	93.6	Very high	93.7	Very high	44 Å²	44	39.3 Å²	39.3	30%	0.297	21%	0.208	S	C	.	.			trans	-92	98.5	-179.4	-65.4	0	0	0	0	110.8	L162 G189	L162-C191 WeakPolarHBondContact O-CB 3.46Å; L162-C191 PolarHBondContact O-N 2.82Å; G189-C191 PolarHBondContact O-N 3.4Å; G189-C191 PolarHBondContact O-SG 3.35Å
192	V	92.4	Very high	93.7	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	21%	0.208	C	C	.	.			trans	-123.7	145.2	169.7	-71	0	0	0	0	110.4	V165 L190 K194 A197 A198 S281	V165-V192 HydrophobicContact CG1-CG1 4.2Å; L190-V192 HydrophobicContact CD2-CG1 4.23Å; L190-V192 HydrophobicContact CG-CG1 4.26Å; L190-V192 PolarHBondContact O-N 3.18Å; V192-K194 VanDerWaalsContact C-N 3.26Å; V192-K194 PolarHBondContact O-N 2.97Å; V192-A197 HydrophobicContact CB-CB 4.07Å; V192-A197 HydrophobicContact CG1-CB 4.12Å; V192-A198 HydrophobicContact CG1-CB 4.5Å; V192-A198 HydrophobicContact CG2-CB 4.42Å; V192-S281 PolarHBondContact N-OG 3.24Å; V192-S281 PolarHBondContact O-OG 2.82Å
193	P	90.2	Very high	93.6	Very high	100 Å²	100	38.4 Å²	38.4	65%	0.649	20%	0.203	S	C	*	.	S	Bend	trans	-66.6	-32.2	179.5	26.4	-34.6	0	0	0	111.9	A197	P193-A197 HydrophobicContact CG-CB 4.33Å
194	K	92.3	Very high	93.5	Very high	92 Å²	92	39.6 Å²	39.6	40%	0.4	21%	0.208	S	C	.	.	S	Bend	trans	-152	160.4	177.7	-46.5	177.8	-176.4	169.1	0	109.5	V192 E196 A197 R230	V192-K194 VanDerWaalsContact C-N 3.26Å; V192-K194 PolarHBondContact O-N 2.97Å; K194-E196 WeakPolarHBondContact CB-OE2 3.39Å; K194-E196 PolarHBondContact O-N 3.46Å; K194-A197 WeakPolarHBondContact O-CB 3.5Å; K194-A197 PolarHBondContact O-N 3.46Å; K194-R230 VanDerWaalsContact CE-NH2 3.28Å
195	E	94.1	Very high	93.5	Very high	4 Å²	4	40 Å²	40	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-22.3	-178.7	-162.6	62.6	-163.4	0	0	112.7	A197 A198 Y199 V224 R225 V229 R279	E195-A197 PolarHBondContact O-N 2.96Å; E195-A198 WeakPolarHBondContact O-CB 3.25Å; E195-A198 PolarHBondContact O-N 2.7Å; E195-A198 VanDerWaalsContact O-N 3.1Å; E195-Y199 PolarHBondContact O-N 3.28Å; E195-V224 HydrophobicContact CG-CG1 4Å; E195-R225 HydrophobicContact CG-CB 4Å; E195-R225 PolarHBondContact OE1-N 3.18Å; E195-V229 HydrophobicContact CB-CG2 4.03Å; E195-V229 HydrophobicContact CG-CG2 4.02Å; E195-R279 IonicContact OE1-CZ 2.58Å; E195-R279 IonicContact OE1-NE 3.26Å; E195-R279 IonicContact OE1-NH2 4Å; E195-R279 PolarHBondContact OE1-NH2 2.99Å; E195-R279 IonicContact OE2-CZ 3.59Å; E195-R279 IonicContact OE2-NE 3.72Å; E195-R279 PolarHBondContact OE2-NE 3.12Å; E195-R279 IonicContact OE2-NH2 2.69Å; E195-R279 PolarHBondContact OE2-NH2 3.34Å
196	E	95	Very high	93.5	Very high	18 Å²	18	40.1 Å²	40.1	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-33.1	171.1	-65.2	82	176.7	0	0	112.5	K194 Y199 Q200 V229 R230 Y233	K194-E196 WeakPolarHBondContact CB-OE2 3.39Å; K194-E196 PolarHBondContact O-N 3.46Å; E196-Y199 WeakPolarHBondContact O-CB 3.09Å; E196-Y199 PolarHBondContact O-N 3.15Å; E196-Q200 WeakPolarHBondContact O-CB 3.2Å; E196-Q200 WeakPolarHBondContact O-CG 3.36Å; E196-Q200 PolarHBondContact O-N 2.67Å; E196-V229 HydrophobicContact CG-CG1 4.06Å; E196-R230 VanDerWaalsContact OE1-CB 3.28Å; E196-R230 WeakPolarHBondContact OE1-CB 3.4Å; E196-R230 VanDerWaalsContact OE1-CG 3.24Å; E196-R230 WeakPolarHBondContact OE1-CG 3.47Å; E196-R230 PolarHBondContact OE1-N 2.9Å; E196-Y233 HydrophobicContact CB-CD1 4.28Å; E196-Y233 HydrophobicContact CB-CE1 4.05Å; E196-Y233 HydrophobicContact CB-CE2 4.34Å; E196-Y233 HydrophobicContact CG-CD1 3.49Å; E196-Y233 VanDerWaalsContact CG-CD1 3.49Å; E196-Y233 HydrophobicContact CG-CD2 3.83Å; E196-Y233 HydrophobicContact CG-CE1 3.78Å; E196-Y233 HydrophobicContact CG-CE2 4.1Å; E196-Y233 HydrophobicContact CG-CG 3.5Å
197	A	94.1	Very high	93.4	Very high	38 Å²	38	39.8 Å²	39.8	31%	0.314	21%	0.209	S	C	.	.	H	α-helix	trans	-70.6	-35.2	178.1	0	0	0	0	0	111.7	V192 P193 K194 E195 Q200 L201	V192-A197 HydrophobicContact CB-CB 4.07Å; V192-A197 HydrophobicContact CG1-CB 4.12Å; P193-A197 HydrophobicContact CG-CB 4.33Å; K194-A197 WeakPolarHBondContact O-CB 3.5Å; K194-A197 PolarHBondContact O-N 3.46Å; E195-A197 PolarHBondContact O-N 2.96Å; A197-Q200 PolarHBondContact O-N 2.69Å; A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 PolarHBondContact O-N 2.76Å
198	A	94.8	Very high	93.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-40.4	172.4	0	0	0	0	0	111.4	L185 L190 V192 E195 L201 A202	L185-A198 HydrophobicContact CD2-CB 4.14Å; L190-A198 HydrophobicContact CD2-CB 4.28Å; V192-A198 HydrophobicContact CG1-CB 4.5Å; V192-A198 HydrophobicContact CG2-CB 4.42Å; E195-A198 WeakPolarHBondContact O-CB 3.25Å; E195-A198 PolarHBondContact O-N 2.7Å; E195-A198 VanDerWaalsContact O-N 3.1Å; A198-L201 WeakPolarHBondContact O-CB 3.46Å; A198-L201 PolarHBondContact O-N 2.94Å; A198-A202 PolarHBondContact O-N 3.31Å; A198-A202 VanDerWaalsContact O-N 3.11Å
199	Y	95.4	Very high	93.5	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-48	171.4	175	-96.2	0	0	0	112	E195 E196 L201 A202 L203 W217 L221 Y233 V238	E195-Y199 PolarHBondContact O-N 3.28Å; E196-Y199 WeakPolarHBondContact O-CB 3.09Å; E196-Y199 PolarHBondContact O-N 3.15Å; Y199-L201 VanDerWaalsContact C-N 3.35Å; Y199-L201 PolarHBondContact O-N 2.58Å; Y199-A202 PolarHBondContact O-N 3.3Å; Y199-L203 HydrophobicContact CE1-CD2 3.78Å; Y199-L203 WeakPolarHBondContact O-CB 3.41Å; Y199-L203 PolarHBondContact O-N 3.15Å; Y199-W217 HydrophobicContact CD2-CH2 4.08Å; Y199-W217 HydrophobicContact CD2-CZ2 4.45Å; Y199-W217 AromaticContact CE2-CH2 3.55Å; Y199-W217 HydrophobicContact CE2-CH2 3.55Å; Y199-W217 AromaticContact CE2-CZ2 3.59Å; Y199-W217 HydrophobicContact CE2-CZ2 3.59Å; Y199-L221 HydrophobicContact CD2-CD1 3.95Å; Y199-L221 HydrophobicContact CE2-CD1 3.85Å; Y199-Y233 AromaticContact CD1-CE1 3.94Å; Y199-Y233 HydrophobicContact CD1-CE1 3.94Å; Y199-Y233 HydrophobicContact CE1-CE1 4.3Å; Y199-V238 HydrophobicContact CD1-CG2 4.46Å; Y199-V238 HydrophobicContact CD2-CG2 4.17Å; Y199-V238 HydrophobicContact CE1-CG2 4.18Å; Y199-V238 HydrophobicContact CE2-CB 4.29Å; Y199-V238 HydrophobicContact CE2-CG1 3.79Å; Y199-V238 HydrophobicContact CE2-CG2 3.86Å; Y199-V238 HydrophobicContact CG-CG2 4.45Å
200	Q	93.8	Very high	93.4	Very high	74 Å²	74	38.7 Å²	38.7	35%	0.346	20%	0.204	S	C	.	.	H	α-helix	trans	-65.3	-37	179.4	-74.5	-59.7	-36.7	0	0	112.7	E196 A197 L203 R204 Y233	E196-Q200 WeakPolarHBondContact O-CB 3.2Å; E196-Q200 WeakPolarHBondContact O-CG 3.36Å; E196-Q200 PolarHBondContact O-N 2.67Å; A197-Q200 PolarHBondContact O-N 2.69Å; Q200-L203 PolarHBondContact O-N 3.49Å; Q200-R204 VanDerWaalsContact O-CB 3.26Å; Q200-R204 WeakPolarHBondContact O-CB 3.33Å; Q200-R204 PolarHBondContact O-N 2.86Å; Q200-Y233 WeakPolarHBondContact CG-OH 3.43Å; Q200-Y233 PolarHBondContact NE2-OH 2.85Å
201	L	93.9	Very high	93.3	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-50.2	173.4	-168.5	88.2	0	0	0	111.2	V165 L173 L181 L185 A197 A198 Y199 R204 W205	V165-L201 HydrophobicContact CG2-CD1 3.91Å; V165-L201 HydrophobicContact CG2-CD2 3.84Å; L173-L201 HydrophobicContact CD1-CD1 3.65Å; L173-L201 HydrophobicContact CD1-CD2 4.4Å; L173-L201 HydrophobicContact CD1-CG 3.98Å; L173-L201 HydrophobicContact CD2-CD1 3.71Å; L173-L201 HydrophobicContact CD2-CG 4.1Å; L173-L201 HydrophobicContact CG-CD1 4.36Å; L181-L201 HydrophobicContact CD1-CD2 3.89Å; L185-L201 HydrophobicContact CD2-CD2 3.98Å; A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 PolarHBondContact O-N 2.76Å; A198-L201 WeakPolarHBondContact O-CB 3.46Å; A198-L201 PolarHBondContact O-N 2.94Å; Y199-L201 VanDerWaalsContact C-N 3.35Å; Y199-L201 PolarHBondContact O-N 2.58Å; L201-R204 PolarHBondContact O-N 3.15Å; L201-W205 PolarHBondContact O-N 3.45Å
202	A	94.8	Very high	93.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-45	178.3	0	0	0	0	0	111.9	L185 A198 Y199 W205 V206 W217 L220 V224	L185-A202 HydrophobicContact CD1-CB 3.93Å; A198-A202 PolarHBondContact O-N 3.31Å; A198-A202 VanDerWaalsContact O-N 3.11Å; Y199-A202 PolarHBondContact O-N 3.3Å; A202-W205 PolarHBondContact O-N 2.92Å; A202-V206 PolarHBondContact O-N 3.37Å; A202-W217 HydrophobicContact CB-CZ3 4.04Å; A202-L220 HydrophobicContact CB-CB 4.22Å; A202-V224 HydrophobicContact CB-CG2 4.37Å
203	L	93.8	Very high	93.3	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-40.5	-178.6	-175.5	59.4	0	0	0	111.9	Y199 Q200 W205 V206 R207 W217 E241 L243	Y199-L203 HydrophobicContact CE1-CD2 3.78Å; Y199-L203 WeakPolarHBondContact O-CB 3.41Å; Y199-L203 PolarHBondContact O-N 3.15Å; Q200-L203 PolarHBondContact O-N 3.49Å; L203-W205 PolarHBondContact O-N 2.92Å; L203-V206 PolarHBondContact O-N 3.26Å; L203-R207 HydrophobicContact CD1-CG 4.36Å; L203-R207 HydrophobicContact CG-CG 4.46Å; L203-R207 WeakPolarHBondContact O-CB 3.19Å; L203-R207 WeakPolarHBondContact O-CG 3.47Å; L203-R207 PolarHBondContact O-N 3.45Å; L203-W217 HydrophobicContact CB-CH2 3.96Å; L203-W217 HydrophobicContact CB-CZ3 4.09Å; L203-W217 HydrophobicContact CD1-CH2 3.89Å; L203-W217 HydrophobicContact CD1-CZ2 4.32Å; L203-W217 HydrophobicContact CD1-CZ3 4.14Å; L203-W217 HydrophobicContact CG-CH2 4.47Å; L203-E241 HydrophobicContact CD1-CG 4.36Å; L203-L243 HydrophobicContact CD1-CD1 4.31Å
204	R	92.8	Very high	93.3	Very high	117 Å²	117	50 Å²	50	44%	0.442	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-45.3	176	-174.5	178.4	-173.3	169.7	11.9	111.6	L173 Q200 L201 V206 R207 A208	L173-R204 HydrophobicContact CD2-CB 4.47Å; L173-R204 HydrophobicContact CD2-CG 4.4Å; Q200-R204 VanDerWaalsContact O-CB 3.26Å; Q200-R204 WeakPolarHBondContact O-CB 3.33Å; Q200-R204 PolarHBondContact O-N 2.86Å; L201-R204 PolarHBondContact O-N 3.15Å; R204-V206 VanDerWaalsContact C-N 3.31Å; R204-V206 PolarHBondContact O-N 3.16Å; R204-R207 PolarHBondContact O-N 3.4Å; R204-A208 PolarHBondContact O-N 3.35Å; R204-A208 VanDerWaalsContact O-N 3.16Å
205	W	94.9	Very high	93.4	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.038	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-40.1	177.7	-176.3	91.1	0	0	0	112.2	L173 L176 L178 L181 L201 A202 L203 R213 H216 L220	L173-W205 VanDerWaalsContact O-CD1 3.31Å; L176-W205 PolarHBondContact O-NE1 3.26Å; L178-W205 HydrophobicContact CB-CH2 3.93Å; L178-W205 HydrophobicContact CB-CZ2 4.2Å; L178-W205 HydrophobicContact CD1-CH2 3.95Å; L178-W205 HydrophobicContact CD1-CZ3 4.01Å; L178-W205 HydrophobicContact CG-CH2 4.49Å; L181-W205 HydrophobicContact CD2-CB 3.59Å; L181-W205 HydrophobicContact CD2-CD2 3.69Å; L181-W205 HydrophobicContact CD2-CE3 4.21Å; L181-W205 HydrophobicContact CD2-CG 3.39Å; L201-W205 PolarHBondContact O-N 3.45Å; A202-W205 PolarHBondContact O-N 2.92Å; L203-W205 PolarHBondContact O-N 2.92Å; W205-R213 HydrophobicContact CE3-CB 4.25Å; W205-R213 HydrophobicContact CE3-CG 4.29Å; W205-R213 HydrophobicContact CH2-CB 4.26Å; W205-R213 HydrophobicContact CH2-CG 3.78Å; W205-R213 HydrophobicContact CZ2-CG 4.37Å; W205-R213 HydrophobicContact CZ3-CB 3.74Å; W205-R213 HydrophobicContact CZ3-CG 3.74Å; W205-R213 WeakPolarHBondContact O-CD 3.29Å; W205-R213 PolarHBondContact O-NH1 2.78Å; W205-H216 HydrophobicContact CZ3-CB 4.46Å; W205-L220 HydrophobicContact CE3-CD1 3.63Å; W205-L220 HydrophobicContact CZ3-CD1 3.85Å
206	V	94.1	Very high	93.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-69.2	-41.7	176.4	175.4	0	0	0	0	111.9	A202 L203 R204 A208 D209 R213 W217 L220 L243	A202-V206 PolarHBondContact O-N 3.37Å; L203-V206 PolarHBondContact O-N 3.26Å; R204-V206 VanDerWaalsContact C-N 3.31Å; R204-V206 PolarHBondContact O-N 3.16Å; V206-A208 PolarHBondContact O-N 3.32Å; V206-D209 CarbonylContact O-C 3.37Å; V206-D209 PolarHBondContact O-N 3.04Å; V206-R213 HydrophobicContact CB-CB 4.45Å; V206-R213 HydrophobicContact CG1-CB 4.24Å; V206-R213 HydrophobicContact CG2-CB 4.48Å; V206-W217 HydrophobicContact CG2-CE3 3.85Å; V206-L220 HydrophobicContact CG2-CD1 3.51Å; V206-L243 HydrophobicContact CG1-CD1 3.85Å
207	R	92.2	Very high	93.3	Very high	131 Å²	131	51.9 Å²	51.9	49%	0.494	27%	0.273	S	S	.	.	H	α-helix	trans	-66.7	-20.9	-178.6	-76.4	-179.9	175.8	173.5	-1.8	114.1	L203 R204 D209 P210 E241	L203-R207 HydrophobicContact CD1-CG 4.36Å; L203-R207 HydrophobicContact CG-CG 4.46Å; L203-R207 WeakPolarHBondContact O-CB 3.19Å; L203-R207 WeakPolarHBondContact O-CG 3.47Å; L203-R207 PolarHBondContact O-N 3.45Å; R204-R207 PolarHBondContact O-N 3.4Å; R207-D209 VanDerWaalsContact C-N 3.33Å; R207-P210 WeakPolarHBondContact O-CD 3.36Å; R207-E241 IonicContact CZ-OE1 3.63Å; R207-E241 IonicContact NE-OE1 3.47Å; R207-E241 IonicContact NH2-OE1 3.38Å; R207-E241 PolarHBondContact NH2-OE1 3.37Å; R207-E241 IonicContact NH2-OE2 2.84Å; R207-E241 PolarHBondContact NH2-OE2 3.18Å
208	A	92.6	Very high	93.4	Very high	41 Å²	41	51.4 Å²	51.4	34%	0.339	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.4	175.9	0	0	0	0	0	113.8	E174 R204 V206	E174-A208 HydrophobicContact CB-CB 4.21Å; E174-A208 HydrophobicContact CG-CB 3.49Å; E174-A208 VanDerWaalsContact CG-CB 3.49Å; R204-A208 PolarHBondContact O-N 3.35Å; R204-A208 VanDerWaalsContact O-N 3.16Å; V206-A208 PolarHBondContact O-N 3.32Å
209	D	92.3	Very high	93.4	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.214	29%	0.287	C	S	.	.	S	Bend	trans	-146.5	75.4	173.5	-176	1.8	0	0	0	110.4	V206 R207 P211 R212 R213	V206-D209 CarbonylContact O-C 3.37Å; V206-D209 PolarHBondContact O-N 3.04Å; R207-D209 VanDerWaalsContact C-N 3.33Å; D209-P211 VanDerWaalsContact C-CD 3.45Å; D209-P211 VanDerWaalsContact OD1-CD 3.28Å; D209-P211 WeakPolarHBondContact OD1-CD 3.09Å; D209-P211 WeakPolarHBondContact OD1-CG 3.4Å; D209-R212 PolarHBondContact O-N 2.9Å; D209-R212 WeakPolarHBondContact OD2-CD 3.36Å; D209-R213 HydrophobicContact CB-CG 4.09Å; D209-R213 WeakPolarHBondContact O-CB 3.44Å; D209-R213 WeakPolarHBondContact O-CG 3.21Å; D209-R213 PolarHBondContact O-N 3.43Å
210	P	90.6	Very high	93.3	Very high	72 Å²	72	55.6 Å²	55.6	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-54	-44.9	-175.8	-24.6	34.6	0	0	0	115.2	R207 R212 R213 A214	R207-P210 WeakPolarHBondContact O-CD 3.36Å; P210-R212 VanDerWaalsContact C-N 3.3Å; P210-R212 PolarHBondContact O-N 2.85Å; P210-R213 PolarHBondContact O-N 3.22Å; P210-A214 WeakPolarHBondContact O-CB 3.28Å; P210-A214 PolarHBondContact O-N 3.31Å
211	P	91.4	Very high	93.4	Very high	117 Å²	117	52.1 Å²	52.1	76%	0.76	27%	0.27	S	S	*	.	H	α-helix	trans	-66.1	-31	-174.1	24.9	-33.9	0	0	0	113.1	D209	D209-P211 VanDerWaalsContact C-CD 3.45Å; D209-P211 VanDerWaalsContact OD1-CD 3.28Å; D209-P211 WeakPolarHBondContact OD1-CD 3.09Å; D209-P211 WeakPolarHBondContact OD1-CG 3.4Å
212	R	91.6	Very high	93.4	Very high	193 Å²	193	55.4 Å²	55.4	73%	0.728	29%	0.285	S	S	*	.	H	α-helix	trans	-93.2	-32.4	178.2	-63.3	-173.6	175.7	157	-5.1	113.1	D209 P210	D209-R212 PolarHBondContact O-N 2.9Å; D209-R212 WeakPolarHBondContact OD2-CD 3.36Å; P210-R212 VanDerWaalsContact C-N 3.3Å; P210-R212 PolarHBondContact O-N 2.85Å
213	R	94	Very high	93.4	Very high	43 Å²	43	55.7 Å²	55.7	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-96.9	-19.9	-169.5	-60.2	179.4	-176.8	-171.2	-2	114.4	E174 W205 V206 D209 P210 A215 H216	E174-R213 PolarHBondContact O-NH1 2.96Å; E174-R213 PolarHBondContact O-NH2 3.05Å; W205-R213 HydrophobicContact CE3-CB 4.25Å; W205-R213 HydrophobicContact CE3-CG 4.29Å; W205-R213 HydrophobicContact CH2-CB 4.26Å; W205-R213 HydrophobicContact CH2-CG 3.78Å; W205-R213 HydrophobicContact CZ2-CG 4.37Å; W205-R213 HydrophobicContact CZ3-CB 3.74Å; W205-R213 HydrophobicContact CZ3-CG 3.74Å; W205-R213 WeakPolarHBondContact O-CD 3.29Å; W205-R213 PolarHBondContact O-NH1 2.78Å; V206-R213 HydrophobicContact CB-CB 4.45Å; V206-R213 HydrophobicContact CG1-CB 4.24Å; V206-R213 HydrophobicContact CG2-CB 4.48Å; D209-R213 HydrophobicContact CB-CG 4.09Å; D209-R213 WeakPolarHBondContact O-CB 3.44Å; D209-R213 WeakPolarHBondContact O-CG 3.21Å; D209-R213 PolarHBondContact O-N 3.43Å; P210-R213 PolarHBondContact O-N 3.22Å; R213-A215 PolarHBondContact O-N 2.89Å; R213-H216 PolarHBondContact O-N 3.2Å
214	A	91.8	Very high	93.5	Very high	35 Å²	35	55.7 Å²	55.7	29%	0.289	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.6	-178.7	0	0	0	0	0	113.4	P210 H216 W217 L243	P210-A214 WeakPolarHBondContact O-CB 3.28Å; P210-A214 PolarHBondContact O-N 3.31Å; A214-H216 PolarHBondContact O-N 2.79Å; A214-W217 WeakPolarHBondContact O-CB 3.41Å; A214-W217 PolarHBondContact O-N 3.16Å; A214-L243 HydrophobicContact CB-CD2 3.99Å
215	A	92.4	Very high	93.5	Very high	83 Å²	83	50.4 Å²	50.4	69%	0.686	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.4	-24.4	177.2	0	0	0	0	0	113.6	R213 P218	R213-A215 PolarHBondContact O-N 2.89Å; A215-P218 WeakPolarHBondContact O-CD 3.24Å
216	H	94.3	Very high	93.5	Very high	69 Å²	69	50.1 Å²	50.1	32%	0.319	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-90.2	-6.3	-179.2	-59.6	-60.6	0	0	0	113.4	L178 W205 R213 A214 P218 Q219 L220	L178-H216 HydrophobicContact CD1-CB 3.95Å; L178-H216 HydrophobicContact CD2-CB 3.84Å; L178-H216 VanDerWaalsContact CD2-CG 3.49Å; L178-H216 VanDerWaalsContact CD2-ND1 3.32Å; L178-H216 WeakPolarHBondContact CD2-ND1 2.91Å; W205-H216 HydrophobicContact CZ3-CB 4.46Å; R213-H216 PolarHBondContact O-N 3.2Å; A214-H216 PolarHBondContact O-N 2.79Å; H216-P218 VanDerWaalsContact C-CD 3.45Å; H216-Q219 PolarHBondContact O-N 3.4Å; H216-L220 PolarHBondContact O-N 2.77Å
217	W	94.7	Very high	93.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-53.4	-43.3	-179.6	178	-117.7	0	0	0	114.4	Y199 A202 L203 V206 A214 Q219 L220 L221 L243 V244	Y199-W217 HydrophobicContact CD2-CH2 4.08Å; Y199-W217 HydrophobicContact CD2-CZ2 4.45Å; Y199-W217 AromaticContact CE2-CH2 3.55Å; Y199-W217 HydrophobicContact CE2-CH2 3.55Å; Y199-W217 AromaticContact CE2-CZ2 3.59Å; Y199-W217 HydrophobicContact CE2-CZ2 3.59Å; A202-W217 HydrophobicContact CB-CZ3 4.04Å; L203-W217 HydrophobicContact CB-CH2 3.96Å; L203-W217 HydrophobicContact CB-CZ3 4.09Å; L203-W217 HydrophobicContact CD1-CH2 3.89Å; L203-W217 HydrophobicContact CD1-CZ2 4.32Å; L203-W217 HydrophobicContact CD1-CZ3 4.14Å; L203-W217 HydrophobicContact CG-CH2 4.47Å; V206-W217 HydrophobicContact CG2-CE3 3.85Å; A214-W217 WeakPolarHBondContact O-CB 3.41Å; A214-W217 PolarHBondContact O-N 3.16Å; W217-Q219 VanDerWaalsContact C-N 3.28Å; W217-Q219 PolarHBondContact O-N 2.82Å; W217-L220 HydrophobicContact CE3-CB 4.34Å; W217-L220 PolarHBondContact O-N 3.03Å; W217-L220 VanDerWaalsContact O-N 3.16Å; W217-L221 HydrophobicContact CH2-CD1 4.3Å; W217-L221 HydrophobicContact CZ2-CD1 3.87Å; W217-L221 WeakPolarHBondContact O-CB 3.26Å; W217-L221 PolarHBondContact O-N 3.38Å; W217-L243 HydrophobicContact CD2-CD1 4.49Å; W217-L243 HydrophobicContact CG-CB 4.11Å; W217-L243 HydrophobicContact CG-CD1 4.39Å; W217-V244 HydrophobicContact CZ2-CG2 4.08Å; W217-V244 VanDerWaalsContact NE1-CG2 3.28Å
218	P	94.4	Very high	93.5	Very high	29 Å²	29	45.9 Å²	45.9	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-37.3	-179.6	-25	36.7	0	0	0	113.3	A215 H216 E222 C247 P249	A215-P218 WeakPolarHBondContact O-CD 3.24Å; H216-P218 VanDerWaalsContact C-CD 3.45Å; P218-E222 WeakPolarHBondContact O-CB 3.42Å; P218-E222 PolarHBondContact O-N 3.45Å; P218-C247 WeakPolarHBondContact CG-SG 3.4Å; P218-P249 HydrophobicContact CB-CB 4.25Å
219	Q	94.6	Very high	93.6	Very high	89 Å²	89	44 Å²	44	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-69.8	-37	178.9	-64.7	176	-18.1	0	0	111.6	L182 H216 W217 A223	L182-Q219 HydrophobicContact CD1-CB 4.46Å; L182-Q219 HydrophobicContact CD2-CB 4.39Å; L182-Q219 VanDerWaalsContact CD2-O 3.27Å; L182-Q219 WeakPolarHBondContact CD2-O 3.37Å; H216-Q219 PolarHBondContact O-N 3.4Å; W217-Q219 VanDerWaalsContact C-N 3.28Å; W217-Q219 PolarHBondContact O-N 2.82Å; Q219-A223 PolarHBondContact O-N 3.01Å
220	L	95.1	Very high	93.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.4	-43.3	176	-71.8	167.9	0	0	0	111.5	L178 L181 L182 L185 A202 W205 V206 H216 W217 E222 A223 V224	L178-L220 HydrophobicContact CD1-CD1 4.18Å; L178-L220 HydrophobicContact CD1-CD2 3.9Å; L178-L220 HydrophobicContact CD1-CG 3.95Å; L181-L220 HydrophobicContact CD2-CD2 3.69Å; L181-L220 HydrophobicContact CG-CD2 3.94Å; L182-L220 HydrophobicContact CD2-CD2 3.82Å; L182-L220 HydrophobicContact CD2-CG 4.36Å; L182-L220 HydrophobicContact CG-CD2 4.17Å; L185-L220 HydrophobicContact CD1-CD2 3.76Å; A202-L220 HydrophobicContact CB-CB 4.22Å; W205-L220 HydrophobicContact CE3-CD1 3.63Å; W205-L220 HydrophobicContact CZ3-CD1 3.85Å; V206-L220 HydrophobicContact CG2-CD1 3.51Å; H216-L220 PolarHBondContact O-N 2.77Å; W217-L220 HydrophobicContact CE3-CB 4.34Å; W217-L220 PolarHBondContact O-N 3.03Å; W217-L220 VanDerWaalsContact O-N 3.16Å; L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 2.72Å; L220-A223 WeakPolarHBondContact O-CB 3.43Å; L220-A223 PolarHBondContact O-N 3.38Å; L220-V224 PolarHBondContact O-N 3.49Å
221	L	94.9	Very high	93.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-36.1	178.1	-170.3	66.2	0	0	0	111.7	Y199 W217 A223 V224 L226 V244 C250 L253	Y199-L221 HydrophobicContact CD2-CD1 3.95Å; Y199-L221 HydrophobicContact CE2-CD1 3.85Å; W217-L221 HydrophobicContact CH2-CD1 4.3Å; W217-L221 HydrophobicContact CZ2-CD1 3.87Å; W217-L221 WeakPolarHBondContact O-CB 3.26Å; W217-L221 PolarHBondContact O-N 3.38Å; L221-A223 VanDerWaalsContact C-N 3.25Å; L221-A223 PolarHBondContact O-N 3.03Å; L221-V224 PolarHBondContact O-N 2.84Å; L221-V224 VanDerWaalsContact O-N 3.17Å; L221-L226 HydrophobicContact CD1-CD1 4.05Å; L221-L226 HydrophobicContact CD1-CD2 3.92Å; L221-L226 HydrophobicContact CD1-CG 4.35Å; L221-L226 HydrophobicContact CD2-CD1 4.35Å; L221-L226 HydrophobicContact CG-CD1 4.01Å; L221-V244 HydrophobicContact CD2-CG2 4.13Å; L221-C250 HydrophobicContact CD2-CB 3.6Å; L221-L253 HydrophobicContact CB-CD1 4.32Å; L221-L253 HydrophobicContact CD2-CD1 4.23Å; L221-L253 HydrophobicContact CG-CD1 4.17Å
222	E	94.3	Very high	93.7	Very high	87 Å²	87	54.9 Å²	54.9	41%	0.407	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-30.9	172.4	-175.1	-179.3	-159.3	0	0	112.6	P218 L220 V224 L253 R275	P218-E222 WeakPolarHBondContact O-CB 3.42Å; P218-E222 PolarHBondContact O-N 3.45Å; L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 2.72Å; E222-V224 VanDerWaalsContact C-N 3.27Å; E222-V224 PolarHBondContact O-N 3.07Å; E222-L253 HydrophobicContact CB-CD1 4.09Å; E222-R275 WeakPolarHBondContact O-CD 3.42Å
223	A	94.6	Very high	93.8	Very high	7 Å²	7	47.8 Å²	47.8	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-75.5	-16	176.4	0	0	0	0	0	113.4	L182 L185 R186 Q219 L220 L221	L182-A223 HydrophobicContact CD2-CB 4.05Å; L185-A223 HydrophobicContact CB-CB 3.65Å; L185-A223 HydrophobicContact CD1-CB 4.31Å; R186-A223 HydrophobicContact CG-CB 3.81Å; Q219-A223 PolarHBondContact O-N 3.01Å; L220-A223 WeakPolarHBondContact O-CB 3.43Å; L220-A223 PolarHBondContact O-N 3.38Å; L221-A223 VanDerWaalsContact C-N 3.25Å; L221-A223 PolarHBondContact O-N 3.03Å
224	V	94.9	Very high	93.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	22%	0.221	C	C	.	.	S	Bend	trans	-88.6	134.6	176.3	179.2	0	0	0	0	109.6	E195 A202 L220 L221 E222 L226	E195-V224 HydrophobicContact CG-CG1 4Å; A202-V224 HydrophobicContact CB-CG2 4.37Å; L220-V224 PolarHBondContact O-N 3.49Å; L221-V224 PolarHBondContact O-N 2.84Å; L221-V224 VanDerWaalsContact O-N 3.17Å; E222-V224 VanDerWaalsContact C-N 3.27Å; E222-V224 PolarHBondContact O-N 3.07Å; V224-L226 HydrophobicContact CG1-CD2 4.13Å; V224-L226 PolarHBondContact O-N 3.48Å
225	R	94.6	Very high	93.8	Very high	6 Å²	6	48.1 Å²	48.1	2%	0.023	23%	0.228	C	C	.	.			trans	-83.4	65.3	-176.3	-47.5	-170.9	-169.2	-179.3	-2.4	111.5	D188 E195 P227 F228 R277 P278	D188-R225 IonicContact OD1-CZ 3.97Å; D188-R225 IonicContact OD1-NH1 2.71Å; D188-R225 PolarHBondContact OD1-NH1 3.38Å; D188-R225 IonicContact OD1-NH2 3.69Å; D188-R225 PolarHBondContact OD1-NH2 3.37Å; E195-R225 HydrophobicContact CG-CB 4Å; E195-R225 PolarHBondContact OE1-N 3.18Å; R225-P227 VanDerWaalsContact C-N 3.27Å; R225-P227 WeakPolarHBondContact O-CD 3.45Å; R225-P227 VanDerWaalsContact O-N 3.08Å; R225-F228 HydrophobicContact CB-CD2 4.01Å; R225-F228 PolarHBondContact O-N 2.95Å; R225-R277 WeakPolarHBondContact CD-O 3.39Å; R225-R277 PolarHBondContact NH1-O 2.89Å; R225-P278 PolarHBondContact NH1-O 2.62Å; R225-P278 VanDerWaalsContact NH1-O 3.14Å
226	L	94.5	Very high	93.8	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-46	-36.6	-178.1	-65.4	-178.6	0	0	0	115.9	L221 V224 F228 V229 L234 V238 L253 L254 A257	L221-L226 HydrophobicContact CD1-CD1 4.05Å; L221-L226 HydrophobicContact CD1-CD2 3.92Å; L221-L226 HydrophobicContact CD1-CG 4.35Å; L221-L226 HydrophobicContact CD2-CD1 4.35Å; L221-L226 HydrophobicContact CG-CD1 4.01Å; V224-L226 HydrophobicContact CG1-CD2 4.13Å; V224-L226 PolarHBondContact O-N 3.48Å; L226-F228 PolarHBondContact O-N 3.06Å; L226-F228 VanDerWaalsContact O-N 3.09Å; L226-V229 HydrophobicContact CD2-CG2 4.27Å; L226-V229 WeakPolarHBondContact O-CB 3.5Å; L226-V229 PolarHBondContact O-N 3.09Å; L226-L234 HydrophobicContact CB-CD1 4.48Å; L226-L234 HydrophobicContact CD2-CD1 4.28Å; L226-V238 HydrophobicContact CD2-CG1 4.3Å; L226-L253 HydrophobicContact CD1-CB 3.95Å; L226-L254 HydrophobicContact CD1-CD2 4.45Å; L226-A257 HydrophobicContact CB-CB 3.76Å
227	P	93.1	Very high	93.7	Very high	7 Å²	7	47.3 Å²	47.3	5%	0.045	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-53.4	-30	175.6	-28.5	36.8	0	0	0	114.1	R225 A257 F260 Q261 M276	R225-P227 VanDerWaalsContact C-N 3.27Å; R225-P227 WeakPolarHBondContact O-CD 3.45Å; R225-P227 VanDerWaalsContact O-N 3.08Å; P227-A257 HydrophobicContact CG-CB 4.37Å; P227-F260 HydrophobicContact CB-CB 4.15Å; P227-F260 HydrophobicContact CB-CD1 3.56Å; P227-F260 HydrophobicContact CB-CD2 4.4Å; P227-F260 HydrophobicContact CB-CE1 3.94Å; P227-F260 HydrophobicContact CB-CG 3.79Å; P227-F260 HydrophobicContact CB-CZ 4.47Å; P227-Q261 PolarHBondContact O-NE2 3.12Å; P227-M276 HydrophobicContact CB-SD 4.15Å; P227-M276 HydrophobicContact CG-CE 4.08Å; P227-M276 HydrophobicContact CG-SD 3.64Å
228	F	93.3	Very high	93.7	Very high	36 Å²	36	47.2 Å²	47.2	16%	0.158	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-97.7	1.7	-179.1	-58.6	-79.6	0	0	0	114.3	R225 L226 F260 M276 P278 L284 F559	R225-F228 HydrophobicContact CB-CD2 4.01Å; R225-F228 PolarHBondContact O-N 2.95Å; L226-F228 PolarHBondContact O-N 3.06Å; L226-F228 VanDerWaalsContact O-N 3.09Å; F228-F260 HydrophobicContact CE1-CE1 4.22Å; F228-F260 HydrophobicContact CE1-CZ 4.06Å; F228-F260 HydrophobicContact CZ-CE1 4.34Å; F228-F260 AromaticContact CZ-CZ 3.89Å; F228-F260 HydrophobicContact CZ-CZ 3.89Å; F228-M276 VanDerWaalsContact CE2-C 3.43Å; F228-M276 WeakPolarHBondContact CZ-O 3.45Å; F228-P278 HydrophobicContact CD1-CB 3.96Å; F228-P278 HydrophobicContact CE1-CB 3.78Å; F228-P278 HydrophobicContact CE1-CG 4.25Å; F228-P278 HydrophobicContact CG-CB 4.4Å; F228-P278 HydrophobicContact CZ-CB 4.08Å; F228-P278 HydrophobicContact CZ-CG 4.37Å; F228-P278 VanDerWaalsContact CZ-N 3.31Å; F228-L284 HydrophobicContact CD1-CD2 3.55Å; F228-L284 HydrophobicContact CE1-CD2 4.03Å; F228-F559 HydrophobicContact CE1-CD1 4.35Å; F228-F559 HydrophobicContact CE1-CD2 4.32Å; F228-F559 HydrophobicContact CE1-CE1 4.14Å; F228-F559 HydrophobicContact CE1-CE2 4.09Å; F228-F559 HydrophobicContact CE1-CG 4.44Å; F228-F559 HydrophobicContact CE1-CZ 4.01Å; F228-F559 HydrophobicContact CZ-CE1 4.24Å; F228-F559 HydrophobicContact CZ-CE2 4.36Å; F228-F559 AromaticContact CZ-CZ 3.96Å; F228-F559 HydrophobicContact CZ-CZ 3.96Å
229	V	94.5	Very high	93.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	23%	0.226	C	C	.	.	S	Bend	trans	-72.6	134.8	168.3	170.9	0	0	0	0	108.6	E195 E196 L226 R231 Y233 L234 Q261	E195-V229 HydrophobicContact CB-CG2 4.03Å; E195-V229 HydrophobicContact CG-CG2 4.02Å; E196-V229 HydrophobicContact CG-CG1 4.06Å; L226-V229 HydrophobicContact CD2-CG2 4.27Å; L226-V229 WeakPolarHBondContact O-CB 3.5Å; L226-V229 PolarHBondContact O-N 3.09Å; V229-R231 PolarHBondContact O-N 2.94Å; V229-Y233 HydrophobicContact CG1-CD1 3.74Å; V229-Y233 HydrophobicContact CG1-CG 4.33Å; V229-L234 HydrophobicContact CB-CD1 4.45Å; V229-L234 HydrophobicContact CG1-CB 4.19Å; V229-L234 HydrophobicContact CG1-CD1 4.38Å; V229-Q261 PolarHBondContact O-NE2 2.92Å
230	R	92.3	Very high	93.4	Very high	139 Å²	139	48.7 Å²	48.7	53%	0.525	23%	0.234	S	C	.	.			trans	-57.8	137.4	-178.2	-67.6	173	-176.3	-154.9	-7.2	111	K194 E196 F232 Y233 L234	K194-R230 VanDerWaalsContact CE-NH2 3.28Å; E196-R230 VanDerWaalsContact OE1-CB 3.28Å; E196-R230 WeakPolarHBondContact OE1-CB 3.4Å; E196-R230 VanDerWaalsContact OE1-CG 3.24Å; E196-R230 WeakPolarHBondContact OE1-CG 3.47Å; E196-R230 PolarHBondContact OE1-N 2.9Å; R230-F232 VanDerWaalsContact C-N 3.3Å; R230-F232 PolarHBondContact O-N 2.92Å; R230-F232 VanDerWaalsContact O-N 3.16Å; R230-Y233 WeakPolarHBondContact O-CA 3.37Å; R230-Y233 WeakPolarHBondContact O-CB 3.38Å; R230-Y233 PolarHBondContact O-N 2.99Å; R230-L234 PolarHBondContact O-N 2.79Å
231	R	91	Very high	93.3	Very high	159 Å²	159	50 Å²	50	60%	0.6	24%	0.24	S	C	*	.	H	α-helix	trans	-49.8	-45.9	-175.9	-172.6	171.2	179.7	159.1	-1.7	113.7	V229 Y233 L234 L235	V229-R231 PolarHBondContact O-N 2.94Å; R231-Y233 VanDerWaalsContact C-N 3.34Å; R231-Y233 PolarHBondContact O-N 3.07Å; R231-L234 PolarHBondContact O-N 3.39Å; R231-L235 HydrophobicContact CG-CD1 4.2Å; R231-L235 WeakPolarHBondContact O-CG 3.46Å; R231-L235 PolarHBondContact O-N 3.28Å; R231-L235 VanDerWaalsContact O-N 3.14Å
232	F	92.5	Very high	93.1	Very high	160 Å²	160	53.8 Å²	53.8	70%	0.702	27%	0.265	S	S	*	.	H	α-helix	trans	-60.2	-42.9	177.1	179.7	-95.7	0	0	0	112.3	R230 L235 A236	R230-F232 VanDerWaalsContact C-N 3.3Å; R230-F232 PolarHBondContact O-N 2.92Å; R230-F232 VanDerWaalsContact O-N 3.16Å; F232-L235 PolarHBondContact O-N 2.81Å; F232-A236 HydrophobicContact CE1-CB 4.21Å; F232-A236 HydrophobicContact CZ-CB 4.29Å; F232-A236 WeakPolarHBondContact O-CB 3.42Å; F232-A236 PolarHBondContact O-N 2.87Å
233	Y	94.8	Very high	92.8	Very high	44 Å²	44	52 Å²	52	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-69.7	-40.2	-179.4	-166.3	-84.9	0	0	0	112.2	E196 Y199 Q200 V229 R230 R231 L235 H237 V238	E196-Y233 HydrophobicContact CB-CD1 4.28Å; E196-Y233 HydrophobicContact CB-CE1 4.05Å; E196-Y233 HydrophobicContact CB-CE2 4.34Å; E196-Y233 HydrophobicContact CG-CD1 3.49Å; E196-Y233 VanDerWaalsContact CG-CD1 3.49Å; E196-Y233 HydrophobicContact CG-CD2 3.83Å; E196-Y233 HydrophobicContact CG-CE1 3.78Å; E196-Y233 HydrophobicContact CG-CE2 4.1Å; E196-Y233 HydrophobicContact CG-CG 3.5Å; Y199-Y233 AromaticContact CD1-CE1 3.94Å; Y199-Y233 HydrophobicContact CD1-CE1 3.94Å; Y199-Y233 HydrophobicContact CE1-CE1 4.3Å; Q200-Y233 WeakPolarHBondContact CG-OH 3.43Å; Q200-Y233 PolarHBondContact NE2-OH 2.85Å; V229-Y233 HydrophobicContact CG1-CD1 3.74Å; V229-Y233 HydrophobicContact CG1-CG 4.33Å; R230-Y233 WeakPolarHBondContact O-CA 3.37Å; R230-Y233 WeakPolarHBondContact O-CB 3.38Å; R230-Y233 PolarHBondContact O-N 2.99Å; R231-Y233 VanDerWaalsContact C-N 3.34Å; R231-Y233 PolarHBondContact O-N 3.07Å; Y233-L235 VanDerWaalsContact C-N 3.32Å; Y233-L235 PolarHBondContact O-N 3.07Å; Y233-H237 HydrophobicContact CD1-CB 4.2Å; Y233-H237 AromaticContact CD2-CD2 3.35Å; Y233-H237 WeakPolarHBondContact CD2-CD2 3.28Å; Y233-H237 HydrophobicContact CE1-CB 3.96Å; Y233-H237 HydrophobicContact CE2-CB 4.35Å; Y233-H237 AromaticContact CE2-CD2 3.44Å; Y233-H237 VanDerWaalsContact CE2-CD2 3.44Å; Y233-H237 WeakPolarHBondContact CE2-CD2 3.46Å; Y233-H237 AromaticContact CG-CD2 3.86Å; Y233-H237 WeakPolarHBondContact O-CB 3.32Å; Y233-H237 PolarHBondContact O-N 2.96Å; Y233-V238 HydrophobicContact CD1-CG2 4.09Å; Y233-V238 HydrophobicContact CE1-CG2 4.21Å; Y233-V238 PolarHBondContact O-N 2.94Å
234	L	94	Very high	92.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.255	C	S	.	.	I	π-helix	trans	-57	-47.3	175.9	-169.2	71.7	0	0	0	110.9	L226 V229 R230 R231 V238 E239 L254 A257 R258	L226-L234 HydrophobicContact CB-CD1 4.48Å; L226-L234 HydrophobicContact CD2-CD1 4.28Å; V229-L234 HydrophobicContact CB-CD1 4.45Å; V229-L234 HydrophobicContact CG1-CB 4.19Å; V229-L234 HydrophobicContact CG1-CD1 4.38Å; R230-L234 PolarHBondContact O-N 2.79Å; R231-L234 PolarHBondContact O-N 3.39Å; L234-V238 HydrophobicContact CD1-CB 4.12Å; L234-V238 HydrophobicContact CD1-CG1 4.29Å; L234-V238 HydrophobicContact CD1-CG2 4.19Å; L234-V238 WeakPolarHBondContact O-CB 3.03Å; L234-V238 PolarHBondContact O-N 3.34Å; L234-E239 PolarHBondContact O-N 2.93Å; L234-L254 HydrophobicContact CD1-CD2 3.63Å; L234-L254 HydrophobicContact CG-CD2 4.08Å; L234-A257 HydrophobicContact CD2-CB 4.12Å; L234-R258 HydrophobicContact CD2-CG 4.44Å
235	L	91.3	Very high	92.3	Very high	83 Å²	83	54.3 Å²	54.3	44%	0.435	28%	0.277	S	S	.	.	I	π-helix	trans	-72.9	-46.7	-179.8	-64.5	172.2	0	0	0	112.7	R231 F232 Y233 E239	R231-L235 HydrophobicContact CG-CD1 4.2Å; R231-L235 WeakPolarHBondContact O-CG 3.46Å; R231-L235 PolarHBondContact O-N 3.28Å; R231-L235 VanDerWaalsContact O-N 3.14Å; F232-L235 PolarHBondContact O-N 2.81Å; Y233-L235 VanDerWaalsContact C-N 3.32Å; Y233-L235 PolarHBondContact O-N 3.07Å; L235-E239 WeakPolarHBondContact CD2-OE2 3.45Å
236	A	92.4	Very high	91.9	Very high	43 Å²	43	64.6 Å²	64.6	36%	0.355	32%	0.316	S	S	.	.	I	π-helix	trans	-77.3	-33	-172.4	0	0	0	0	0	113.6	F232 A240	F232-A236 HydrophobicContact CE1-CB 4.21Å; F232-A236 HydrophobicContact CZ-CB 4.29Å; F232-A236 WeakPolarHBondContact O-CB 3.42Å; F232-A236 PolarHBondContact O-N 2.87Å; A236-A240 WeakPolarHBondContact O-CB 3.35Å
237	H	92.9	Very high	91.8	Very high	93 Å²	93	65.6 Å²	65.6	43%	0.431	32%	0.323	S	S	.	.	I	π-helix	trans	-116.1	-47.2	-171.9	-62.3	-67.7	0	0	0	113.2	Y233 E241	Y233-H237 HydrophobicContact CD1-CB 4.2Å; Y233-H237 AromaticContact CD2-CD2 3.35Å; Y233-H237 WeakPolarHBondContact CD2-CD2 3.28Å; Y233-H237 HydrophobicContact CE1-CB 3.96Å; Y233-H237 HydrophobicContact CE2-CB 4.35Å; Y233-H237 AromaticContact CE2-CD2 3.44Å; Y233-H237 VanDerWaalsContact CE2-CD2 3.44Å; Y233-H237 WeakPolarHBondContact CE2-CD2 3.46Å; Y233-H237 AromaticContact CG-CD2 3.86Å; Y233-H237 WeakPolarHBondContact O-CB 3.32Å; Y233-H237 PolarHBondContact O-N 2.96Å; H237-E241 PolarHBondContact O-N 3.46Å
238	V	93.4	Very high	91.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.349	C	S	.	.	I	π-helix	trans	-74	-45.8	-174	-174.1	0	0	0	0	111.2	Y199 L226 Y233 L234 E241 V244 L254	Y199-V238 HydrophobicContact CD1-CG2 4.46Å; Y199-V238 HydrophobicContact CD2-CG2 4.17Å; Y199-V238 HydrophobicContact CE1-CG2 4.18Å; Y199-V238 HydrophobicContact CE2-CB 4.29Å; Y199-V238 HydrophobicContact CE2-CG1 3.79Å; Y199-V238 HydrophobicContact CE2-CG2 3.86Å; Y199-V238 HydrophobicContact CG-CG2 4.45Å; L226-V238 HydrophobicContact CD2-CG1 4.3Å; Y233-V238 HydrophobicContact CD1-CG2 4.09Å; Y233-V238 HydrophobicContact CE1-CG2 4.21Å; Y233-V238 PolarHBondContact O-N 2.94Å; L234-V238 HydrophobicContact CD1-CB 4.12Å; L234-V238 HydrophobicContact CD1-CG1 4.29Å; L234-V238 HydrophobicContact CD1-CG2 4.19Å; L234-V238 WeakPolarHBondContact O-CB 3.03Å; L234-V238 PolarHBondContact O-N 3.34Å; V238-E241 WeakPolarHBondContact O-CB 3.49Å; V238-E241 PolarHBondContact O-N 3.1Å; V238-V244 WeakPolarHBondContact O-CG2 3.33Å; V238-L254 HydrophobicContact CB-CD2 4.39Å; V238-L254 HydrophobicContact CG1-CD2 3.78Å
239	E	91.9	Very high	91.8	Very high	79 Å²	79	70.4 Å²	70.4	37%	0.369	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-35.6	179.4	-174.3	168.5	-171.7	0	0	112.7	L234 L235 E241 L254	L234-E239 PolarHBondContact O-N 2.93Å; L235-E239 WeakPolarHBondContact CD2-OE2 3.45Å; E239-E241 PolarHBondContact O-N 3.37Å; E239-L254 HydrophobicContact CB-CD1 4.19Å; E239-L254 HydrophobicContact CG-CD1 4.32Å
240	A	90.8	Very high	91.8	Very high	70 Å²	70	70.3 Å²	70.3	58%	0.579	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.8	177.3	0	0	0	0	0	113.7	A236 P242	A236-A240 WeakPolarHBondContact O-CB 3.35Å; A240-P242 WeakPolarHBondContact O-CD 3.4Å
241	E	93.3	Very high	91.9	Very high	27 Å²	27	66.6 Å²	66.6	13%	0.126	35%	0.347	C	S	.	.			trans	-68.4	125.1	-176.5	-173.5	65	-163.5	0	0	111.2	L203 R207 H237 V238 E239 L243 V244 A245	L203-E241 HydrophobicContact CD1-CG 4.36Å; R207-E241 IonicContact CZ-OE1 3.63Å; R207-E241 IonicContact NE-OE1 3.47Å; R207-E241 IonicContact NH2-OE1 3.38Å; R207-E241 PolarHBondContact NH2-OE1 3.37Å; R207-E241 IonicContact NH2-OE2 2.84Å; R207-E241 PolarHBondContact NH2-OE2 3.18Å; H237-E241 PolarHBondContact O-N 3.46Å; V238-E241 WeakPolarHBondContact O-CB 3.49Å; V238-E241 PolarHBondContact O-N 3.1Å; E239-E241 PolarHBondContact O-N 3.37Å; E241-L243 HydrophobicContact CG-CB 4.21Å; E241-L243 PolarHBondContact O-N 2.78Å; E241-L243 VanDerWaalsContact O-N 3.12Å; E241-V244 HydrophobicContact CB-CB 4.38Å; E241-V244 HydrophobicContact CB-CG2 4.06Å; E241-V244 HydrophobicContact CG-CG2 4.44Å; E241-V244 WeakPolarHBondContact O-CB 3.02Å; E241-V244 PolarHBondContact O-N 2.94Å; E241-A245 PolarHBondContact O-N 3.18Å
242	P	90.4	Very high	92	Very high	81 Å²	81	67.2 Å²	67.2	53%	0.526	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-30	-176.7	-26.6	34.9	0	0	0	114.5	A240 V244 R246	A240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-V244 VanDerWaalsContact C-N 3.26Å; P242-V244 PolarHBondContact O-N 3.49Å; P242-R246 WeakPolarHBondContact O-CG 3.5Å; P242-R246 PolarHBondContact O-N 3.34Å
243	L	88.9	Confident	92.1	Very high	50 Å²	50	60.5 Å²	60.5	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-28.4	176.6	-64	175.8	0	0	0	112.3	L203 V206 A214 W217 E241 C247	L203-L243 HydrophobicContact CD1-CD1 4.31Å; V206-L243 HydrophobicContact CG1-CD1 3.85Å; A214-L243 HydrophobicContact CB-CD2 3.99Å; W217-L243 HydrophobicContact CD2-CD1 4.49Å; W217-L243 HydrophobicContact CG-CB 4.11Å; W217-L243 HydrophobicContact CG-CD1 4.39Å; E241-L243 HydrophobicContact CG-CB 4.21Å; E241-L243 PolarHBondContact O-N 2.78Å; E241-L243 VanDerWaalsContact O-N 3.12Å; L243-C247 WeakPolarHBondContact O-CB 3.45Å
244	V	90.2	Very high	92	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-85.3	-49.9	178.9	176.6	0	0	0	0	110.2	W217 L221 V238 E241 P242 R246 C247 C250 L254	W217-V244 HydrophobicContact CZ2-CG2 4.08Å; W217-V244 VanDerWaalsContact NE1-CG2 3.28Å; L221-V244 HydrophobicContact CD2-CG2 4.13Å; V238-V244 WeakPolarHBondContact O-CG2 3.33Å; E241-V244 HydrophobicContact CB-CB 4.38Å; E241-V244 HydrophobicContact CB-CG2 4.06Å; E241-V244 HydrophobicContact CG-CG2 4.44Å; E241-V244 WeakPolarHBondContact O-CB 3.02Å; E241-V244 PolarHBondContact O-N 2.94Å; P242-V244 VanDerWaalsContact C-N 3.26Å; P242-V244 PolarHBondContact O-N 3.49Å; V244-R246 PolarHBondContact O-N 3.45Å; V244-R246 VanDerWaalsContact O-N 3.1Å; V244-C247 PolarHBondContact O-N 3.31Å; V244-C250 HydrophobicContact CB-CB 4.38Å; V244-C250 HydrophobicContact CG1-CB 3.92Å; V244-L254 HydrophobicContact CG1-CD1 3.4Å; V244-L254 VanDerWaalsContact CG1-CD1 3.4Å; V244-L254 HydrophobicContact CG1-CG 4.1Å
245	A	88	Confident	91.9	Very high	56 Å²	56	66.4 Å²	66.4	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-58	-29.5	-175.9	0	0	0	0	0	113.7	E241	E241-A245 PolarHBondContact O-N 3.18Å
246	R	86.5	Confident	91.9	Very high	223 Å²	223	63.8 Å²	63.8	84%	0.842	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-2	-177.8	-62.1	176	70.2	-174.5	2.4	113.9	P242 V244	P242-R246 WeakPolarHBondContact O-CG 3.5Å; P242-R246 PolarHBondContact O-N 3.34Å; V244-R246 PolarHBondContact O-N 3.45Å; V244-R246 VanDerWaalsContact O-N 3.1Å
247	C	91.8	Very high	91.9	Very high	25 Å²	25	61.7 Å²	61.7	17%	0.169	31%	0.312	C	S	.	.			trans	-119.6	108.2	-168.9	-168.5	0	0	0	0	112	P218 L243 V244 C250 L251	P218-C247 WeakPolarHBondContact CG-SG 3.4Å; L243-C247 WeakPolarHBondContact O-CB 3.45Å; V244-C247 PolarHBondContact O-N 3.31Å; C247-C250 HydrophobicContact CB-CB 4.06Å; C247-C250 WeakPolarHBondContact O-CB 3.32Å; C247-C250 PolarHBondContact O-N 2.85Å; C247-C250 VanDerWaalsContact SG-SG 3.67Å; C247-L251 PolarHBondContact O-N 3.07Å; C247-L251 VanDerWaalsContact O-N 3.14Å
248	P	93.3	Very high	91.8	Very high	93 Å²	93	63.3 Å²	63.3	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-56.9	-40.6	-178.3	-22.6	31.2	0	0	0	115.1	C250 L251 R252	P248-C250 VanDerWaalsContact C-N 3.32Å; P248-C250 PolarHBondContact O-N 3.37Å; P248-L251 PolarHBondContact O-N 3.02Å; P248-R252 PolarHBondContact O-N 2.66Å; P248-R252 VanDerWaalsContact O-N 3.15Å
249	P	94.6	Very high	91.7	Very high	50 Å²	50	66.6 Å²	66.6	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-55.2	-42.7	171.7	-28.5	34.8	0	0	0	114	P218 R252 L253	P218-P249 HydrophobicContact CB-CB 4.25Å; P249-R252 PolarHBondContact O-N 2.74Å; P249-L253 PolarHBondContact O-N 3.29Å
250	C	94.3	Very high	91.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-38.4	-179.8	-59.6	0	0	0	0	111.7	L221 V244 C247 P248 R252 L253 L254	L221-C250 HydrophobicContact CD2-CB 3.6Å; V244-C250 HydrophobicContact CB-CB 4.38Å; V244-C250 HydrophobicContact CG1-CB 3.92Å; C247-C250 HydrophobicContact CB-CB 4.06Å; C247-C250 WeakPolarHBondContact O-CB 3.32Å; C247-C250 PolarHBondContact O-N 2.85Å; C247-C250 VanDerWaalsContact SG-SG 3.67Å; P248-C250 VanDerWaalsContact C-N 3.32Å; P248-C250 PolarHBondContact O-N 3.37Å; C250-R252 VanDerWaalsContact C-N 3.27Å; C250-R252 PolarHBondContact O-N 3.33Å; C250-L253 PolarHBondContact O-N 3.03Å; C250-L254 PolarHBondContact O-N 3.32Å
251	L	93.6	Very high	91.6	Very high	61 Å²	61	62.5 Å²	62.5	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-32.4	175.6	-65.4	176.9	0	0	0	112.5	C247 P248 L254 R255	C247-L251 PolarHBondContact O-N 3.07Å; C247-L251 VanDerWaalsContact O-N 3.14Å; P248-L251 PolarHBondContact O-N 3.02Å; L251-L254 HydrophobicContact CD2-CD1 4.38Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-R255 WeakPolarHBondContact O-CG 3.4Å; L251-R255 PolarHBondContact O-N 3.29Å
252	R	93.6	Very high	91.4	Very high	171 Å²	171	63 Å²	63	65%	0.645	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-44	173.1	-68.7	-171.7	-62.6	-169	1.6	111.8	P248 P249 C250 L254 R255 E256	P248-R252 PolarHBondContact O-N 2.66Å; P248-R252 VanDerWaalsContact O-N 3.15Å; P249-R252 PolarHBondContact O-N 2.74Å; C250-R252 VanDerWaalsContact C-N 3.27Å; C250-R252 PolarHBondContact O-N 3.33Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 PolarHBondContact O-N 2.89Å; R252-R255 PolarHBondContact O-N 2.81Å; R252-E256 WeakPolarHBondContact O-CB 3.48Å; R252-E256 PolarHBondContact O-N 3.14Å
253	L	93.3	Very high	91.2	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-38	176.6	-60.5	171.6	0	0	0	111.6	L221 E222 L226 P249 C250 A257	L221-L253 HydrophobicContact CB-CD1 4.32Å; L221-L253 HydrophobicContact CD2-CD1 4.23Å; L221-L253 HydrophobicContact CG-CD1 4.17Å; E222-L253 HydrophobicContact CB-CD1 4.09Å; L226-L253 HydrophobicContact CD1-CB 3.95Å; P249-L253 PolarHBondContact O-N 3.29Å; C250-L253 PolarHBondContact O-N 3.03Å; L253-A257 PolarHBondContact O-N 3.25Å
254	L	93.6	Very high	91.1	Very high	9 Å²	9	64.2 Å²	64.2	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-44.7	174.3	-83.6	-175.7	0	0	0	112.9	L226 L234 V238 E239 V244 C250 L251 R252 E256 A257 R258	L226-L254 HydrophobicContact CD1-CD2 4.45Å; L234-L254 HydrophobicContact CD1-CD2 3.63Å; L234-L254 HydrophobicContact CG-CD2 4.08Å; V238-L254 HydrophobicContact CB-CD2 4.39Å; V238-L254 HydrophobicContact CG1-CD2 3.78Å; E239-L254 HydrophobicContact CB-CD1 4.19Å; E239-L254 HydrophobicContact CG-CD1 4.32Å; V244-L254 HydrophobicContact CG1-CD1 3.4Å; V244-L254 VanDerWaalsContact CG1-CD1 3.4Å; V244-L254 HydrophobicContact CG1-CG 4.1Å; C250-L254 PolarHBondContact O-N 3.32Å; L251-L254 HydrophobicContact CD2-CD1 4.38Å; L251-L254 PolarHBondContact O-N 2.92Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 PolarHBondContact O-N 2.89Å; L254-E256 VanDerWaalsContact C-N 3.34Å; L254-A257 PolarHBondContact O-N 2.78Å; L254-R258 WeakPolarHBondContact O-CG 3.5Å; L254-R258 PolarHBondContact O-N 2.73Å
255	R	92	Very high	90.6	Very high	161 Å²	161	65.3 Å²	65.3	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-59.8	-47.3	176.6	-74.1	175.4	-171.7	-178.9	0.9	110.8	L251 R252 A257 R258 D259	L251-R255 WeakPolarHBondContact O-CG 3.4Å; L251-R255 PolarHBondContact O-N 3.29Å; R252-R255 PolarHBondContact O-N 2.81Å; R255-A257 VanDerWaalsContact C-N 3.34Å; R255-A257 PolarHBondContact O-N 3.26Å; R255-R258 WeakPolarHBondContact O-CB 3.49Å; R255-R258 PolarHBondContact O-N 3.3Å; R255-D259 PolarHBondContact O-N 3.04Å
256	E	91.1	Very high	90.2	Very high	28 Å²	28	64.8 Å²	64.8	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-43.7	176.7	177.9	-180	-160	0	0	112.7	R252 L254 R258 D259 F260 Y265 R275 M276	R252-E256 WeakPolarHBondContact O-CB 3.48Å; R252-E256 PolarHBondContact O-N 3.14Å; L254-E256 VanDerWaalsContact C-N 3.34Å; E256-R258 VanDerWaalsContact C-N 3.34Å; E256-R258 PolarHBondContact O-N 3.38Å; E256-D259 PolarHBondContact O-N 3.01Å; E256-F260 PolarHBondContact O-N 2.86Å; E256-Y265 HydrophobicContact CG-CE2 4.16Å; E256-R275 IonicContact OE1-CZ 2.65Å; E256-R275 IonicContact OE1-NH1 3.02Å; E256-R275 IonicContact OE1-NH2 3.12Å; E256-R275 PolarHBondContact OE1-NH2 3.42Å; E256-R275 IonicContact OE2-CZ 2.68Å; E256-R275 VanDerWaalsContact OE2-CZ 3.22Å; E256-R275 IonicContact OE2-NH1 3.07Å; E256-R275 PolarHBondContact OE2-NH1 3.07Å; E256-R275 IonicContact OE2-NH2 3.62Å; E256-R275 PolarHBondContact OE2-NH2 2.9Å; E256-M276 HydrophobicContact CG-CE 3.32Å; E256-M276 WeakPolarHBondContact OE1-CE 3.46Å
257	A	92.6	Very high	89.8	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-38	175	0	0	0	0	0	112.4	L226 P227 L234 L253 L254 R255 F260 Q261	L226-A257 HydrophobicContact CB-CB 3.76Å; P227-A257 HydrophobicContact CG-CB 4.37Å; L234-A257 HydrophobicContact CD2-CB 4.12Å; L253-A257 PolarHBondContact O-N 3.25Å; L254-A257 PolarHBondContact O-N 2.78Å; R255-A257 VanDerWaalsContact C-N 3.34Å; R255-A257 PolarHBondContact O-N 3.26Å; A257-F260 PolarHBondContact O-N 2.8Å; A257-Q261 VanDerWaalsContact O-CG 3.31Å; A257-Q261 WeakPolarHBondContact O-CG 3.41Å; A257-Q261 PolarHBondContact O-N 3.31Å
258	R	91.3	Very high	89.4	Confident	126 Å²	126	57.9 Å²	57.9	48%	0.475	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-45.3	175.4	-75.4	174.4	56.4	167.6	-1.8	111.8	L234 L254 R255 E256 F260 Q261 A262	L234-R258 HydrophobicContact CD2-CG 4.44Å; L254-R258 WeakPolarHBondContact O-CG 3.5Å; L254-R258 PolarHBondContact O-N 2.73Å; R255-R258 WeakPolarHBondContact O-CB 3.49Å; R255-R258 PolarHBondContact O-N 3.3Å; E256-R258 VanDerWaalsContact C-N 3.34Å; E256-R258 PolarHBondContact O-N 3.38Å; R258-F260 VanDerWaalsContact C-N 3.25Å; R258-F260 PolarHBondContact O-N 3.13Å; R258-Q261 PolarHBondContact O-N 3.15Å; R258-A262 VanDerWaalsContact O-CB 3.26Å; R258-A262 WeakPolarHBondContact O-CB 3.26Å; R258-A262 PolarHBondContact O-N 3.4Å
259	D	90.6	Very high	88.9	Confident	70 Å²	70	54.2 Å²	54.2	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-38.9	180	-61.8	-22.5	0	0	0	110.2	R255 E256 A262 A263 R264 Y265	R255-D259 PolarHBondContact O-N 3.04Å; E256-D259 PolarHBondContact O-N 3.01Å; D259-A262 PolarHBondContact O-N 3.19Å; D259-A263 PolarHBondContact O-N 2.7Å; D259-R264 HydrophobicContact CB-CB 4.41Å; D259-R264 PolarHBondContact O-N 3.08Å; D259-Y265 PolarHBondContact O-N 3.42Å; D259-Y265 VanDerWaalsContact O-N 3.12Å
260	F	90.3	Very high	88	Confident	14 Å²	14	58.5 Å²	58.5	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-46.4	172.7	-177.3	-87.1	0	0	0	113.1	P227 F228 E256 A257 R258 A262 A263 Y265 R267 M276 F559	P227-F260 HydrophobicContact CB-CB 4.15Å; P227-F260 HydrophobicContact CB-CD1 3.56Å; P227-F260 HydrophobicContact CB-CD2 4.4Å; P227-F260 HydrophobicContact CB-CE1 3.94Å; P227-F260 HydrophobicContact CB-CG 3.79Å; P227-F260 HydrophobicContact CB-CZ 4.47Å; F228-F260 HydrophobicContact CE1-CE1 4.22Å; F228-F260 HydrophobicContact CE1-CZ 4.06Å; F228-F260 HydrophobicContact CZ-CE1 4.34Å; F228-F260 AromaticContact CZ-CZ 3.89Å; F228-F260 HydrophobicContact CZ-CZ 3.89Å; E256-F260 PolarHBondContact O-N 2.86Å; A257-F260 PolarHBondContact O-N 2.8Å; R258-F260 VanDerWaalsContact C-N 3.25Å; R258-F260 PolarHBondContact O-N 3.13Å; F260-A262 PolarHBondContact O-N 3.01Å; F260-A263 PolarHBondContact O-N 3.36Å; F260-Y265 HydrophobicContact CD2-CD1 4.24Å; F260-R267 HydrophobicContact CD2-CG 4.32Å; F260-R267 HydrophobicContact CE2-CG 3.86Å; F260-R267 VanDerWaalsContact CE2-NE 3.31Å; F260-M276 HydrophobicContact CD2-SD 3.61Å; F260-M276 HydrophobicContact CE2-SD 4.02Å; F260-M276 HydrophobicContact CG-SD 4.25Å; F260-F559 HydrophobicContact CE1-CE2 4.49Å; F260-F559 HydrophobicContact CE2-CE2 4.41Å; F260-F559 AromaticContact CZ-CE2 3.63Å; F260-F559 HydrophobicContact CZ-CE2 3.63Å; F260-F559 HydrophobicContact CZ-CZ 4.19Å
261	Q	90.2	Very high	86.8	Confident	48 Å²	48	60.3 Å²	60.3	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-20.1	178.8	-71.1	179.8	6.1	0	0	113.7	P227 V229 A257 R258	P227-Q261 PolarHBondContact O-NE2 3.12Å; V229-Q261 PolarHBondContact O-NE2 2.92Å; A257-Q261 VanDerWaalsContact O-CG 3.31Å; A257-Q261 WeakPolarHBondContact O-CG 3.41Å; A257-Q261 PolarHBondContact O-N 3.31Å; R258-Q261 PolarHBondContact O-N 3.15Å
262	A	88.3	Confident	85.7	Confident	37 Å²	37	60.9 Å²	60.9	31%	0.306	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.5	175	0	0	0	0	0	112.9	R258 D259 F260 R264	R258-A262 VanDerWaalsContact O-CB 3.26Å; R258-A262 WeakPolarHBondContact O-CB 3.26Å; R258-A262 PolarHBondContact O-N 3.4Å; D259-A262 PolarHBondContact O-N 3.19Å; F260-A262 PolarHBondContact O-N 3.01Å; A262-R264 HydrophobicContact CB-CG 4.3Å; A262-R264 PolarHBondContact O-N 3.18Å
263	A	87.3	Confident	85	Confident	13 Å²	13	54 Å²	54	11%	0.107	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	9.5	-178.3	0	0	0	0	0	115.8	D259 F260 L333 G334 G382	D259-A263 PolarHBondContact O-N 2.7Å; F260-A263 PolarHBondContact O-N 3.36Å; A263-L333 HydrophobicContact CB-CD1 3.97Å; A263-G334 VanDerWaalsContact CB-CA 3.42Å; A263-G382 WeakPolarHBondContact O-CA 2.93Å; A263-G382 PolarHBondContact O-N 3.49Å
264	R	85.8	Confident	84.3	Confident	145 Å²	145	57.6 Å²	57.6	55%	0.547	28%	0.281	S	S	.	.			trans	-79.3	-23	178	-64.7	-167.7	-179.4	-164.4	-5.6	113.2	D259 A262 D266 D381	D259-R264 HydrophobicContact CB-CB 4.41Å; D259-R264 PolarHBondContact O-N 3.08Å; A262-R264 HydrophobicContact CB-CG 4.3Å; A262-R264 PolarHBondContact O-N 3.18Å; R264-D266 PolarHBondContact O-N 3.04Å; R264-D381 WeakPolarHBondContact CB-OD1 3.27Å
265	Y	81.3	Confident	84	Confident	22 Å²	22	59.4 Å²	59.4	9%	0.086	29%	0.288	C	S	.	.	S	Bend	trans	-80.8	109.8	175.1	-165.5	-79.5	0	0	0	110.1	E256 D259 F260 R267 R270 M276	E256-Y265 HydrophobicContact CG-CE2 4.16Å; D259-Y265 PolarHBondContact O-N 3.42Å; D259-Y265 VanDerWaalsContact O-N 3.12Å; F260-Y265 HydrophobicContact CD2-CD1 4.24Å; Y265-R267 PolarHBondContact O-N 3.38Å; Y265-R270 WeakPolarHBondContact OH-CD 3.31Å; Y265-M276 HydrophobicContact CD1-CE 4.45Å; Y265-M276 HydrophobicContact CD2-CE 4.11Å; Y265-M276 HydrophobicContact CE1-CE 4Å; Y265-M276 HydrophobicContact CE1-CG 4.32Å; Y265-M276 HydrophobicContact CE1-SD 4.21Å; Y265-M276 HydrophobicContact CE2-CE 3.59Å
266	D	79.5	Confident	83.7	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	26%	0.263	C	S	.	.			trans	-67.3	112.9	167.7	-172.8	-26.5	0	0	0	109.4	R264 H268 D269	R264-D266 PolarHBondContact O-N 3.04Å; D266-H268 VanDerWaalsContact C-N 3.25Å; D266-H268 PolarHBondContact O-N 3.14Å; D266-H268 PolarHBondContact OD1-N 2.62Å; D266-D269 HydrophobicContact CB-CB 3.79Å; D266-D269 VanDerWaalsContact CG-CB 3.49Å; D266-D269 PolarHBondContact OD1-N 2.89Å
267	R	77.5	Confident	83.5	Confident	58 Å²	58	55.9 Å²	55.9	22%	0.219	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.9	-174.8	-61	-178.1	-178.8	151.9	4.9	112.4	F260 Y265 G334 F559	F260-R267 HydrophobicContact CD2-CG 4.32Å; F260-R267 HydrophobicContact CE2-CG 3.86Å; F260-R267 VanDerWaalsContact CE2-NE 3.31Å; Y265-R267 PolarHBondContact O-N 3.38Å; R267-G334 PolarHBondContact NH1-O 3.24Å; R267-G334 PolarHBondContact NH2-O 3.14Å; R267-F559 VanDerWaalsContact NH1-CE2 3.27Å
268	H	83.3	Confident	83.4	Confident	45 Å²	45	56.4 Å²	56.4	21%	0.208	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-22.5	-173.3	-49	-51.1	0	0	0	111.9	D266 R270 T467 L468 N469 V509	D266-H268 VanDerWaalsContact C-N 3.25Å; D266-H268 PolarHBondContact O-N 3.14Å; D266-H268 PolarHBondContact OD1-N 2.62Å; H268-R270 VanDerWaalsContact C-N 3.28Å; H268-R270 PolarHBondContact O-N 3.39Å; H268-T467 WeakPolarHBondContact CB-O 3.36Å; H268-L468 CarbonylContact O-C 3.56Å; H268-L468 VanDerWaalsContact O-CA 3.25Å; H268-L468 WeakPolarHBondContact O-CA 3.13Å; H268-N469 PolarHBondContact O-N 2.87Å; H268-V509 HydrophobicContact CB-CB 4.41Å; H268-V509 HydrophobicContact CB-CG1 4.17Å; H268-V509 HydrophobicContact CB-CG2 4.5Å; H268-V509 PolarHBondContact CE1-O 2.84Å; H268-V509 WeakPolarHBondContact ND1-CG1 3.47Å
269	D	82.1	Confident	83.3	Confident	15 Å²	15	50.4 Å²	50.4	8%	0.08	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.1	176.8	-173.1	46.1	0	0	0	114.7	D266 R421 T467 N469 G470	D266-D269 HydrophobicContact CB-CB 3.79Å; D266-D269 VanDerWaalsContact CG-CB 3.49Å; D266-D269 PolarHBondContact OD1-N 2.89Å; D269-R421 PolarHBondContact OD1-N 2.85Å; D269-R421 WeakPolarHBondContact OD2-CA 3.34Å; D269-R421 PolarHBondContact OD2-N 3.21Å; D269-T467 HydrophobicContact CB-CG2 4.29Å; D269-N469 CarbonylContact O-C 3.6Å; D269-G470 WeakPolarHBondContact O-CA 3.29Å; D269-G470 PolarHBondContact O-N 3.05Å; D269-G470 WeakPolarHBondContact OD1-CA 3.41Å
270	R	77	Confident	83.2	Confident	141 Å²	141	49.7 Å²	49.7	53%	0.532	25%	0.254	S	S	.	.	S	Bend	trans	-105.6	150.2	180	-60.2	-159.3	-174.6	173.5	2.3	111.8	Y265 H268 N469	Y265-R270 WeakPolarHBondContact OH-CD 3.31Å; H268-R270 VanDerWaalsContact C-N 3.28Å; H268-R270 PolarHBondContact O-N 3.39Å; R270-N469 PolarHBondContact O-OD1 2.98Å
271	G	69.1	Low	83.2	Confident	38 Å²	38	50.3 Å²	50.3	39%	0.392	26%	0.26	S	S	.	.			trans	-52.2	162.7	176.1	0	0	0	0	0	112.8	C273 N469	G271-C273 PolarHBondContact O-N 3.29Å; G271-N469 VanDerWaalsContact CA-OD1 3.27Å; G271-N469 WeakPolarHBondContact CA-OD1 3.45Å
272	P	70.9	Confident	83.1	Confident	73 Å²	73	48.8 Å²	48.8	47%	0.474	25%	0.254	S	S	.	.			trans	-56.9	115.7	-178.7	24.3	-33.2	0	0	0	109.8	N469	P272-N469 VanDerWaalsContact CD-OD1 3.31Å; P272-N469 WeakPolarHBondContact CD-OD1 3.49Å
273	C	77.6	Confident	83.1	Confident	26 Å²	26	47.4 Å²	47.4	18%	0.176	24%	0.244	C	C	.	.			trans	-112.4	113.7	176.1	-170.2	0	0	0	0	108.8	G271 R275 M276	G271-C273 PolarHBondContact O-N 3.29Å; C273-R275 PolarHBondContact O-N 3.41Å; C273-M276 HydrophobicContact CB-CB 4.12Å; C273-M276 HydrophobicContact CB-CG 3.75Å; C273-M276 WeakPolarHBondContact O-CB 3.29Å; C273-M276 PolarHBondContact O-N 3.05Å
274	P	78.7	Confident	83.2	Confident	94 Å²	94	48.9 Å²	48.9	61%	0.61	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-55.7	-27.2	178.1	-27.9	35.3	0	0	0	113.7	M276 R277	P274-M276 VanDerWaalsContact C-N 3.26Å; P274-M276 PolarHBondContact O-N 3.06Å; P274-R277 PolarHBondContact O-N 3.49Å
275	R	87.1	Confident	83.4	Confident	48 Å²	48	42 Å²	42	18%	0.181	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-71.9	-20.4	178	-58.2	179.7	-62.5	119.5	0.3	113.1	E222 E256 C273	E222-R275 WeakPolarHBondContact O-CD 3.42Å; E256-R275 IonicContact OE1-CZ 2.65Å; E256-R275 IonicContact OE1-NH1 3.02Å; E256-R275 IonicContact OE1-NH2 3.12Å; E256-R275 PolarHBondContact OE1-NH2 3.42Å; E256-R275 IonicContact OE2-CZ 2.68Å; E256-R275 VanDerWaalsContact OE2-CZ 3.22Å; E256-R275 IonicContact OE2-NH1 3.07Å; E256-R275 PolarHBondContact OE2-NH1 3.07Å; E256-R275 IonicContact OE2-NH2 3.62Å; E256-R275 PolarHBondContact OE2-NH2 2.9Å; C273-R275 PolarHBondContact O-N 3.41Å
276	M	86.1	Confident	83.9	Confident	20 Å²	20	42.3 Å²	42.3	10%	0.099	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-94.5	8.9	178.9	-61.1	-63.9	177.6	0	0	112.8	P227 F228 E256 F260 Y265 C273 P274	P227-M276 HydrophobicContact CB-SD 4.15Å; P227-M276 HydrophobicContact CG-CE 4.08Å; P227-M276 HydrophobicContact CG-SD 3.64Å; F228-M276 VanDerWaalsContact CE2-C 3.43Å; F228-M276 WeakPolarHBondContact CZ-O 3.45Å; E256-M276 HydrophobicContact CG-CE 3.32Å; E256-M276 WeakPolarHBondContact OE1-CE 3.46Å; F260-M276 HydrophobicContact CD2-SD 3.61Å; F260-M276 HydrophobicContact CE2-SD 4.02Å; F260-M276 HydrophobicContact CG-SD 4.25Å; Y265-M276 HydrophobicContact CD1-CE 4.45Å; Y265-M276 HydrophobicContact CD2-CE 4.11Å; Y265-M276 HydrophobicContact CE1-CE 4Å; Y265-M276 HydrophobicContact CE1-CG 4.32Å; Y265-M276 HydrophobicContact CE1-SD 4.21Å; Y265-M276 HydrophobicContact CE2-CE 3.59Å; C273-M276 HydrophobicContact CB-CB 4.12Å; C273-M276 HydrophobicContact CB-CG 3.75Å; C273-M276 WeakPolarHBondContact O-CB 3.29Å; C273-M276 PolarHBondContact O-N 3.05Å; P274-M276 VanDerWaalsContact C-N 3.26Å; P274-M276 PolarHBondContact O-N 3.06Å
277	R	87.6	Confident	84.6	Confident	94 Å²	94	40.1 Å²	40.1	36%	0.355	21%	0.214	S	C	.	.	S	Bend	trans	-111.8	131.4	173.9	-65.2	-176.3	179.8	-158.4	-3.4	110.6	R225 P274 G511	R225-R277 WeakPolarHBondContact CD-O 3.39Å; R225-R277 PolarHBondContact NH1-O 2.89Å; P274-R277 PolarHBondContact O-N 3.49Å; R277-G511 PolarHBondContact NH2-O 3.15Å
278	P	89.9	Confident	85.5	Confident	11 Å²	11	37.3 Å²	37.3	7%	0.071	20%	0.203	C	C	.	.			trans	-63.6	150.2	179.1	28.9	-35.5	0	0	0	110.2	R225 F228 L284 F559	R225-P278 PolarHBondContact NH1-O 2.62Å; R225-P278 VanDerWaalsContact NH1-O 3.14Å; F228-P278 HydrophobicContact CD1-CB 3.96Å; F228-P278 HydrophobicContact CE1-CB 3.78Å; F228-P278 HydrophobicContact CE1-CG 4.25Å; F228-P278 HydrophobicContact CG-CB 4.4Å; F228-P278 HydrophobicContact CZ-CB 4.08Å; F228-P278 HydrophobicContact CZ-CG 4.37Å; F228-P278 VanDerWaalsContact CZ-N 3.31Å; P278-L284 HydrophobicContact CB-CB 3.89Å; P278-L284 HydrophobicContact CB-CD2 3.8Å; P278-L284 HydrophobicContact CB-CG 3.84Å; P278-L284 WeakPolarHBondContact CB-O 3.3Å; P278-L284 HydrophobicContact CG-CG 4.35Å; P278-L284 WeakPolarHBondContact CG-O 3.39Å; P278-F559 HydrophobicContact CG-CD1 3.89Å; P278-F559 HydrophobicContact CG-CE1 3.87Å
279	R	90.2	Very high	86.1	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.194	C	C	.	.			trans	-77.3	126.1	177	-169.3	179.6	-58.1	-84.5	3.2	109.6	L185 D187 L190 E195 S281 T282	L185-R279 PolarHBondContact O-NH1 3.23Å; L185-R279 PolarHBondContact O-NH2 2.89Å; D187-R279 PolarHBondContact O-NH1 2.81Å; L190-R279 VanDerWaalsContact O-CD 3.26Å; L190-R279 WeakPolarHBondContact O-CD 3.43Å; E195-R279 IonicContact OE1-CZ 2.58Å; E195-R279 IonicContact OE1-NE 3.26Å; E195-R279 IonicContact OE1-NH2 4Å; E195-R279 PolarHBondContact OE1-NH2 2.99Å; E195-R279 IonicContact OE2-CZ 3.59Å; E195-R279 IonicContact OE2-NE 3.72Å; E195-R279 PolarHBondContact OE2-NE 3.12Å; E195-R279 IonicContact OE2-NH2 2.69Å; E195-R279 PolarHBondContact OE2-NH2 3.34Å; R279-S281 PolarHBondContact O-N 2.8Å; R279-S281 VanDerWaalsContact O-N 3.08Å; R279-T282 HydrophobicContact CB-CG2 4.16Å; R279-T282 WeakPolarHBondContact O-CB 3.18Å; R279-T282 PolarHBondContact O-N 3.41Å; R279-T282 PolarHBondContact O-OG1 2.62Å
280	P	88.8	Confident	86.8	Confident	55 Å²	55	35 Å²	35	36%	0.357	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-53.2	-36	-175.2	-29.5	35.1	0	0	0	114.3	D188 T282 G283	D188-P280 HydrophobicContact CB-CG 4.4Å; P280-T282 PolarHBondContact O-N 3.39Å; P280-T282 VanDerWaalsContact O-N 3.15Å; P280-G283 PolarHBondContact O-N 3.22Å; P280-G283 VanDerWaalsContact O-N 3.13Å
281	S	89.7	Confident	87.6	Confident	27 Å²	27	28.2 Å²	28.2	19%	0.189	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.1	-179.4	71.9	0	0	0	0	115	L190 V192 R279 G283	L190-S281 WeakPolarHBondContact O-CB 3.35Å; L190-S281 PolarHBondContact O-OG 2.99Å; L190-S281 VanDerWaalsContact O-OG 3.07Å; V192-S281 PolarHBondContact N-OG 3.24Å; V192-S281 PolarHBondContact O-OG 2.82Å; R279-S281 PolarHBondContact O-N 2.8Å; R279-S281 VanDerWaalsContact O-N 3.08Å; S281-G283 PolarHBondContact O-N 2.79Å
282	T	88.8	Confident	88.8	Confident	16 Å²	16	26.6 Å²	26.6	10%	0.098	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-77.1	-8.7	-179.7	65.5	0	0	0	0	112.7	R279 P280 L284 Q561	R279-T282 HydrophobicContact CB-CG2 4.16Å; R279-T282 WeakPolarHBondContact O-CB 3.18Å; R279-T282 PolarHBondContact O-N 3.41Å; R279-T282 PolarHBondContact O-OG1 2.62Å; P280-T282 PolarHBondContact O-N 3.39Å; P280-T282 VanDerWaalsContact O-N 3.15Å; T282-L284 PolarHBondContact O-N 3.38Å; T282-L284 WeakPolarHBondContact OG1-CB 3.42Å; T282-L284 PolarHBondContact OG1-N 3.47Å; T282-Q561 PolarHBondContact O-NE2 2.77Å
283	G	87.1	Confident	89.7	Confident	8 Å²	8	23.4 Å²	23.4	8%	0.082	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-3.8	-173.1	0	0	0	0	0	113.6	P280 S281 F562	P280-G283 PolarHBondContact O-N 3.22Å; P280-G283 VanDerWaalsContact O-N 3.13Å; S281-G283 PolarHBondContact O-N 2.79Å; G283-F562 PolarHBondContact O-N 2.67Å
284	L	89.8	Confident	90.4	Very high	43 Å²	43	23.1 Å²	23.1	23%	0.225	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.4	175.8	-169.6	65.8	0	0	0	109.5	F228 P278 T282 F559 Q561	F228-L284 HydrophobicContact CD1-CD2 3.55Å; F228-L284 HydrophobicContact CE1-CD2 4.03Å; P278-L284 HydrophobicContact CB-CB 3.89Å; P278-L284 HydrophobicContact CB-CD2 3.8Å; P278-L284 HydrophobicContact CB-CG 3.84Å; P278-L284 WeakPolarHBondContact CB-O 3.3Å; P278-L284 HydrophobicContact CG-CG 4.35Å; P278-L284 WeakPolarHBondContact CG-O 3.39Å; T282-L284 PolarHBondContact O-N 3.38Å; T282-L284 WeakPolarHBondContact OG1-CB 3.42Å; T282-L284 PolarHBondContact OG1-N 3.47Å; L284-F559 HydrophobicContact CD1-CB 3.83Å; L284-F559 HydrophobicContact CD2-CB 4.48Å; L284-F559 HydrophobicContact CG-CB 4.16Å; L284-Q561 HydrophobicContact CD1-CB 4.38Å
285	A	90.1	Very high	91	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.6	176.3	0	0	0	0	0	110	F559 R560 F562	A285-F559 CarbonylContact O-C 3.51Å; A285-F559 WeakPolarHBondContact O-CA 3.3Å; A285-R560 PolarHBondContact N-O 2.99Å; A285-R560 PolarHBondContact O-N 2.89Å; A285-F562 HydrophobicContact CB-CD2 4.07Å; A285-F562 HydrophobicContact CB-CE2 4.12Å
286	E	91.9	Very high	91.1	Very high	28 Å²	28	24.5 Å²	24.5	13%	0.131	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.1	164.8	-154.1	-177.1	174.2	0	0	107.8	P309 L510 G511 S557 I558 F559	E286-P309 WeakPolarHBondContact O-CD 3.41Å; E286-L510 HydrophobicContact CB-CD1 3.8Å; E286-L510 HydrophobicContact CG-CD1 3.57Å; E286-G511 VanDerWaalsContact OE2-CA 3.3Å; E286-G511 WeakPolarHBondContact OE2-CA 3.31Å; E286-G511 PolarHBondContact OE2-N 3.4Å; E286-S557 PolarHBondContact OE1-OG 2.81Å; E286-I558 WeakPolarHBondContact CA-O 3.5Å; E286-F559 HydrophobicContact CB-CD1 3.79Å; E286-F559 HydrophobicContact CB-CE1 3.64Å; E286-F559 HydrophobicContact CG-CD1 3.98Å; E286-F559 HydrophobicContact CG-CE1 3.67Å; E286-F559 HydrophobicContact CG-CZ 4.29Å
287	I	93.9	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.3	-177.6	56.7	170.3	0	0	0	109.9	V289 C306 Y307 N308 S557 I558 R560 F562	I287-V289 HydrophobicContact CD1-CG2 4.02Å; I287-V289 HydrophobicContact CG1-CG2 4.19Å; I287-C306 HydrophobicContact CD1-CB 3.83Å; I287-Y307 WeakPolarHBondContact CA-O 3.27Å; I287-Y307 WeakPolarHBondContact CB-O 3.29Å; I287-N308 HydrophobicContact CG2-CB 4.13Å; I287-S557 WeakPolarHBondContact O-CA 3.24Å; I287-I558 HydrophobicContact CD1-CD1 4.37Å; I287-I558 HydrophobicContact CD1-CG1 4.05Å; I287-I558 HydrophobicContact CG1-CG1 3.84Å; I287-I558 WeakPolarHBondContact CG1-O 3.19Å; I287-I558 PolarHBondContact N-O 3.35Å; I287-I558 PolarHBondContact O-N 2.54Å; I287-I558 VanDerWaalsContact O-N 3.11Å; I287-R560 HydrophobicContact CD1-CB 3.47Å; I287-R560 VanDerWaalsContact CD1-CB 3.47Å; I287-R560 HydrophobicContact CD1-CG 4.22Å; I287-R560 HydrophobicContact CG1-CB 4.1Å; I287-F562 HydrophobicContact CD1-CZ 4.37Å; I287-F562 HydrophobicContact CG2-CE2 3.52Å; I287-F562 HydrophobicContact CG2-CZ 3.69Å
288	L	95.8	Very high	91.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134	167.7	-176.5	69.7	0	0	0	107.9	L290 C306 Y307 A508 L510 Y515	L288-L290 HydrophobicContact CD2-CD1 3.81Å; L288-L290 HydrophobicContact CG-CD1 3.77Å; L288-C306 CarbonylContact O-C 3.46Å; L288-C306 WeakPolarHBondContact O-CA 3.45Å; L288-Y307 HydrophobicContact CB-CD1 4.45Å; L288-Y307 PolarHBondContact N-O 3.33Å; L288-Y307 PolarHBondContact O-N 3.2Å; L288-A508 HydrophobicContact CD1-CB 3.6Å; L288-L510 HydrophobicContact CB-CD2 3.86Å; L288-Y515 HydrophobicContact CD2-CD1 4.33Å
289	V	96.8	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.6	174.6	-178	0	0	0	0	108.6	I287 V291 V304 D305 C306 L317 I337 S555 V556 I558	I287-V289 HydrophobicContact CD1-CG2 4.02Å; I287-V289 HydrophobicContact CG1-CG2 4.19Å; V289-V291 HydrophobicContact CG1-CG2 4.24Å; V289-V304 HydrophobicContact CG1-CG1 3.66Å; V289-D305 CarbonylContact C-O 3.57Å; V289-D305 VanDerWaalsContact CA-O 3.31Å; V289-D305 WeakPolarHBondContact CA-O 3.46Å; V289-C306 HydrophobicContact CG2-CB 4.01Å; V289-L317 HydrophobicContact CG1-CD1 3.86Å; V289-L317 HydrophobicContact CG2-CD1 3.94Å; V289-I337 HydrophobicContact CB-CD1 3.8Å; V289-I337 HydrophobicContact CG1-CD1 3.58Å; V289-I337 HydrophobicContact CG2-CD1 4.09Å; V289-S555 WeakPolarHBondContact O-CA 3.25Å; V289-V556 HydrophobicContact CB-CG2 4.35Å; V289-V556 PolarHBondContact N-O 3.36Å; V289-V556 PolarHBondContact O-N 3.04Å; V289-I558 HydrophobicContact CG2-CD1 3.88Å; V289-I558 HydrophobicContact CG2-CG1 3.73Å
290	L	95.5	Very high	91.1	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.2	174.1	-75	70	0	0	0	108.1	L288 V304 D305 W314 L546 H553 G554	L288-L290 HydrophobicContact CD2-CD1 3.81Å; L288-L290 HydrophobicContact CG-CD1 3.77Å; L290-V304 CarbonylContact O-C 3.54Å; L290-V304 VanDerWaalsContact O-CA 3.28Å; L290-V304 WeakPolarHBondContact O-CA 3.42Å; L290-D305 HydrophobicContact CB-CB 4.44Å; L290-D305 PolarHBondContact N-O 2.98Å; L290-D305 PolarHBondContact O-N 3.26Å; L290-W314 HydrophobicContact CD1-CH2 3.65Å; L290-W314 HydrophobicContact CD1-CZ3 3.71Å; L290-W314 HydrophobicContact CD2-CH2 4.07Å; L290-W314 HydrophobicContact CD2-CZ3 4.3Å; L290-W314 HydrophobicContact CG-CH2 4.5Å; L290-L546 HydrophobicContact CD2-CD1 4.31Å; L290-L546 HydrophobicContact CD2-CD2 3.34Å; L290-L546 HydrophobicContact CD2-CG 4.44Å; L290-H553 VanDerWaalsContact CD2-CD2 3.44Å; L290-H553 WeakPolarHBondContact CD2-CD2 3.38Å; L290-G554 CarbonylContact C-O 3.58Å; L290-G554 VanDerWaalsContact CA-O 3.28Å; L290-G554 WeakPolarHBondContact CA-O 3.37Å
291	V	95.4	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.8	179.9	-176.7	0	0	0	0	107.5	V289 V304 L324 Y328 I330 V339 W362 G554	V289-V291 HydrophobicContact CG1-CG2 4.24Å; V291-V304 HydrophobicContact CG1-CG2 4.39Å; V291-V304 HydrophobicContact CG2-CG1 4.22Å; V291-L324 HydrophobicContact CG1-CD1 4.01Å; V291-L324 HydrophobicContact CG1-CD2 4.44Å; V291-Y328 PolarHBondContact O-OH 2.77Å; V291-I330 HydrophobicContact CB-CD1 4.37Å; V291-I330 HydrophobicContact CG2-CD1 4.16Å; V291-V339 HydrophobicContact CG1-CG2 4.17Å; V291-W362 HydrophobicContact CG1-CH2 4.27Å; V291-W362 HydrophobicContact CG1-CZ2 4.4Å; V291-G554 PolarHBondContact N-O 3.47Å; V291-G554 PolarHBondContact O-N 3.17Å
292	G	92.4	Very high	91.1	Very high	4 Å²	4	37.2 Å²	37.2	4%	0.041	20%	0.204	C	C	.	.			trans	57.5	-143.6	173.1	0	0	0	0	0	115.2	L301 T303 H553	G292-L301 WeakPolarHBondContact CA-O 3.08Å; G292-T303 PolarHBondContact N-O 2.92Å; G292-H553 WeakPolarHBondContact O-CB 3.42Å
293	G	91.6	Very high	91.3	Very high	6 Å²	6	37.9 Å²	37.9	6%	0.062	21%	0.208	C	C	.	.			trans	105.7	-163.3	-173.1	0	0	0	0	0	111.5	L301 Y328 F551	G293-L301 WeakPolarHBondContact O-CB 3.33Å; G293-L301 PolarHBondContact O-N 3.33Å; G293-Y328 PolarHBondContact N-OH 2.88Å; G293-F551 CarbonylContact C-O 3.51Å; G293-F551 VanDerWaalsContact CA-O 3.29Å; G293-F551 WeakPolarHBondContact CA-O 3.32Å
294	C	91.7	Very high	91.6	Very high	19 Å²	19	37.6 Å²	37.6	13%	0.128	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-126.3	141	178.4	-66.3	0	0	0	0	110.3	D299 T550 F551	C294-D299 VanDerWaalsContact CA-O 3.3Å; C294-D299 WeakPolarHBondContact CA-O 3.35Å; C294-T550 VanDerWaalsContact O-CA 3.31Å; C294-T550 WeakPolarHBondContact O-CA 3.45Å; C294-T550 WeakPolarHBondContact O-CG2 3.44Å; C294-F551 HydrophobicContact CB-CD1 3.87Å; C294-F551 HydrophobicContact CB-CD2 4.5Å; C294-F551 HydrophobicContact CB-CE1 3.33Å; C294-F551 HydrophobicContact CB-CE2 4.04Å; C294-F551 HydrophobicContact CB-CG 4.43Å; C294-F551 HydrophobicContact CB-CZ 3.42Å; C294-F551 VanDerWaalsContact CB-CZ 3.42Å; C294-F551 PolarHBondContact N-O 3.49Å; C294-F551 VanDerWaalsContact O-CD1 3.27Å; C294-F551 WeakPolarHBondContact O-CD1 3.47Å; C294-F551 PolarHBondContact O-N 3.29Å
295	D	91	Very high	91.8	Very high	29 Å²	29	36 Å²	36	16%	0.155	20%	0.196	C	C	.	.			trans	-84.9	-169.1	176.4	72.2	7.4	0	0	0	112.6	D297 C298 D299 L301 F551	D295-D297 VanDerWaalsContact C-N 3.25Å; D295-D297 PolarHBondContact O-N 3.34Å; D295-D297 WeakPolarHBondContact OD1-CA 3.42Å; D295-D297 PolarHBondContact OD1-N 3.36Å; D295-C298 PolarHBondContact O-N 3.15Å; D295-C298 PolarHBondContact OD1-N 3.41Å; D295-C298 VanDerWaalsContact OD1-N 3.13Å; D295-D299 PolarHBondContact N-O 3.3Å; D295-D299 VanDerWaalsContact N-O 3.17Å; D295-D299 PolarHBondContact OD1-N 3.19Å; D295-L301 HydrophobicContact CB-CD1 4.29Å; D295-L301 HydrophobicContact CB-CD2 4.21Å; D295-L301 HydrophobicContact CB-CG 4.39Å; D295-F551 WeakPolarHBondContact O-CE1 3.41Å
296	Q	89.3	Confident	92	Very high	142 Å²	142	36 Å²	36	66%	0.664	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.6	179.8	-173.8	171	19.4	0	0	113.8	L526	Q296-L526 HydrophobicContact CB-CD2 4.03Å
297	D	89.8	Confident	92.1	Very high	129 Å²	129	35.2 Å²	35.2	69%	0.69	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	2.9	179.6	-67.1	-39.2	0	0	0	111.8	D295 D299	D295-D297 VanDerWaalsContact C-N 3.25Å; D295-D297 PolarHBondContact O-N 3.34Å; D295-D297 WeakPolarHBondContact OD1-CA 3.42Å; D295-D297 PolarHBondContact OD1-N 3.36Å; D297-D299 PolarHBondContact O-N 2.81Å
298	C	86.3	Confident	92	Very high	81 Å²	81	35.6 Å²	35.6	55%	0.547	19%	0.194	S	C	.	.			trans	64.1	22.7	-172.8	-58	0	0	0	0	113.3	D295	D295-C298 PolarHBondContact O-N 3.15Å; D295-C298 PolarHBondContact OD1-N 3.41Å; D295-C298 VanDerWaalsContact OD1-N 3.13Å
299	D	88.8	Confident	91.6	Very high	102 Å²	102	37.7 Å²	37.7	55%	0.545	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-78	138.1	173.3	-78.3	-19.7	0	0	0	109.7	C294 D295 D297 L301	C294-D299 VanDerWaalsContact CA-O 3.3Å; C294-D299 WeakPolarHBondContact CA-O 3.35Å; D295-D299 PolarHBondContact N-O 3.3Å; D295-D299 VanDerWaalsContact N-O 3.17Å; D295-D299 PolarHBondContact OD1-N 3.19Å; D297-D299 PolarHBondContact O-N 2.81Å; D299-L301 PolarHBondContact O-N 2.98Å
300	E	88.1	Confident	91.1	Very high	95 Å²	95	43.4 Å²	43.4	44%	0.444	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-70.8	128.8	177.5	-67.3	-177	-176.3	0	0	111.1
301	L	89.4	Confident	90.6	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.089	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-93.8	136.3	178.4	-61.9	173.9	0	0	0	110.6	G292 G293 D295 D299 E548 T550	G292-L301 WeakPolarHBondContact CA-O 3.08Å; G293-L301 WeakPolarHBondContact O-CB 3.33Å; G293-L301 PolarHBondContact O-N 3.33Å; D295-L301 HydrophobicContact CB-CD1 4.29Å; D295-L301 HydrophobicContact CB-CD2 4.21Å; D295-L301 HydrophobicContact CB-CG 4.39Å; D299-L301 PolarHBondContact O-N 2.98Å; L301-E548 HydrophobicContact CD1-CG 4.38Å; L301-E548 WeakPolarHBondContact CD1-OE1 3.24Å; L301-T550 HydrophobicContact CD1-CG2 3.69Å
302	V	90.1	Very high	90.2	Very high	52 Å²	52	47.3 Å²	47.3	32%	0.315	27%	0.267	S	S	.	.			trans	-105.4	6.4	167.2	-62.8	0	0	0	0	111.8	F320 D322	V302-F320 HydrophobicContact CB-CB 4.32Å; V302-F320 PolarHBondContact O-N 3.25Å; V302-D322 WeakPolarHBondContact CG1-O 3.14Å
303	T	91.8	Very high	90.1	Very high	30 Å²	30	51.8 Å²	51.8	18%	0.184	29%	0.287	C	S	.	.			trans	-67.6	144.6	-178.7	51	0	0	0	0	110.6	G292 E548	G292-T303 PolarHBondContact N-O 2.92Å; T303-E548 PolarHBondContact OG1-OE1 3.38Å
304	V	94.6	Very high	90.1	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	101.9	175.2	-174.7	0	0	0	0	107.9	V289 L290 V291 L317 A318 F320 W362	V289-V304 HydrophobicContact CG1-CG1 3.66Å; L290-V304 CarbonylContact O-C 3.54Å; L290-V304 VanDerWaalsContact O-CA 3.28Å; L290-V304 WeakPolarHBondContact O-CA 3.42Å; V291-V304 HydrophobicContact CG1-CG2 4.39Å; V291-V304 HydrophobicContact CG2-CG1 4.22Å; V304-L317 HydrophobicContact CB-CB 4.14Å; V304-L317 HydrophobicContact CG1-CB 3.82Å; V304-L317 HydrophobicContact CG1-CD1 4.07Å; V304-L317 HydrophobicContact CG1-CG 4.35Å; V304-L317 PolarHBondContact O-N 3.42Å; V304-A318 WeakPolarHBondContact CG2-O 3.17Å; V304-F320 HydrophobicContact CG2-CB 4.41Å; V304-W362 HydrophobicContact CG2-CZ2 3.91Å
305	D	94.2	Very high	90.1	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141	-174.1	-74.9	-59.2	0	0	0	111.1	V289 L290 W314 Y316 P547	V289-D305 CarbonylContact C-O 3.57Å; V289-D305 VanDerWaalsContact CA-O 3.31Å; V289-D305 WeakPolarHBondContact CA-O 3.46Å; L290-D305 HydrophobicContact CB-CB 4.44Å; L290-D305 PolarHBondContact N-O 2.98Å; L290-D305 PolarHBondContact O-N 3.26Å; D305-W314 HydrophobicContact CB-CE3 3.9Å; D305-W314 HydrophobicContact CB-CZ3 3.88Å; D305-Y316 WeakPolarHBondContact OD1-CD1 3.32Å; D305-Y316 WeakPolarHBondContact OD1-CE1 3.46Å; D305-P547 HydrophobicContact CB-CG 4.43Å
306	C	94.4	Very high	90.1	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136	173.8	75.3	0	0	0	0	113.6	I287 L288 V289 W314 R315 L317	I287-C306 HydrophobicContact CD1-CB 3.83Å; L288-C306 CarbonylContact O-C 3.46Å; L288-C306 WeakPolarHBondContact O-CA 3.45Å; V289-C306 HydrophobicContact CG2-CB 4.01Å; C306-W314 CarbonylContact O-C 3.54Å; C306-W314 VanDerWaalsContact O-CA 3.26Å; C306-W314 WeakPolarHBondContact O-CA 3.31Å; C306-R315 PolarHBondContact N-O 3.48Å; C306-R315 PolarHBondContact O-N 2.86Å; C306-R315 PolarHBondContact SG-O 2.76Å; C306-L317 HydrophobicContact CB-CD1 3.95Å; C306-L317 HydrophobicContact CB-CD2 4.38Å; C306-L317 HydrophobicContact CB-CG 4.04Å
307	Y	94	Very high	90.4	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.8	178.4	173.1	-104.8	0	0	0	110.5	I287 L288 P309 W314 Y515 V543	I287-Y307 WeakPolarHBondContact CA-O 3.27Å; I287-Y307 WeakPolarHBondContact CB-O 3.29Å; L288-Y307 HydrophobicContact CB-CD1 4.45Å; L288-Y307 PolarHBondContact N-O 3.33Å; L288-Y307 PolarHBondContact O-N 3.2Å; Y307-P309 HydrophobicContact CE1-CB 3.92Å; Y307-P309 WeakPolarHBondContact O-CD 3.5Å; Y307-W314 AromaticContact CD2-CD1 3.97Å; Y307-W314 HydrophobicContact CD2-CD2 4.06Å; Y307-W314 AromaticContact CD2-CE2 3.56Å; Y307-W314 HydrophobicContact CD2-CG 4.3Å; Y307-W314 AromaticContact CD2-CZ2 3.96Å; Y307-W314 HydrophobicContact CD2-CZ2 3.96Å; Y307-W314 AromaticContact CD2-NE1 3.5Å; Y307-W314 HydrophobicContact CG-CD2 4.4Å; Y307-W314 AromaticContact CG-CE2 3.97Å; Y307-W314 HydrophobicContact CG-CH2 4.43Å; Y307-W314 AromaticContact CG-CZ2 3.98Å; Y307-W314 HydrophobicContact CG-CZ2 3.98Å; Y307-Y515 HydrophobicContact CE1-CE1 4.21Å; Y307-V543 PolarHBondContact OH-O 3.08Å
308	N	91.5	Very high	90.6	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.4	172.5	-177.2	-22.8	0	0	0	110.1	I287 Q310 T311 G312 Q313	I287-N308 HydrophobicContact CG2-CB 4.13Å; N308-Q310 PolarHBondContact O-N 2.81Å; N308-Q310 VanDerWaalsContact OD1-CB 3.31Å; N308-Q310 WeakPolarHBondContact OD1-CB 3.43Å; N308-Q310 PolarHBondContact OD1-N 2.89Å; N308-T311 WeakPolarHBondContact CB-OG1 3.45Å; N308-T311 PolarHBondContact O-N 2.93Å; N308-T311 PolarHBondContact OD1-N 2.96Å; N308-G312 WeakPolarHBondContact O-CA 3.3Å; N308-G312 PolarHBondContact O-N 2.89Å; N308-Q313 PolarHBondContact N-O 3.22Å
309	P	87.8	Confident	90.9	Very high	45 Å²	45	56.8 Å²	56.8	29%	0.292	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.8	-178.1	29.1	-36.9	0	0	0	113.6	E286 Y307 L510	E286-P309 WeakPolarHBondContact O-CD 3.41Å; Y307-P309 HydrophobicContact CE1-CB 3.92Å; Y307-P309 WeakPolarHBondContact O-CD 3.5Å; P309-L510 HydrophobicContact CB-CD2 4.14Å; P309-L510 HydrophobicContact CG-CD1 4.44Å; P309-L510 HydrophobicContact CG-CD2 3.73Å; P309-L510 HydrophobicContact CG-CG 4.27Å
310	Q	84.6	Confident	91.1	Very high	119 Å²	119	52.4 Å²	52.4	56%	0.556	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-33.4	178.2	-59.3	-178.2	-13.1	0	0	112	N308	N308-Q310 PolarHBondContact O-N 2.81Å; N308-Q310 VanDerWaalsContact OD1-CB 3.31Å; N308-Q310 WeakPolarHBondContact OD1-CB 3.43Å; N308-Q310 PolarHBondContact OD1-N 2.89Å
311	T	86.2	Confident	90.9	Very high	48 Å²	48	51.4 Å²	51.4	29%	0.294	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-14.6	-178.9	63.9	0	0	0	0	113.2	N308 Q313	N308-T311 WeakPolarHBondContact CB-OG1 3.45Å; N308-T311 PolarHBondContact O-N 2.93Å; N308-T311 PolarHBondContact OD1-N 2.96Å; T311-Q313 PolarHBondContact O-N 2.94Å; T311-Q313 PolarHBondContact OG1-N 3.35Å
312	G	87.8	Confident	90.4	Very high	44 Å²	44	54.2 Å²	54.2	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	22.4	-173.1	0	0	0	0	0	113.6	N308	N308-G312 WeakPolarHBondContact O-CA 3.3Å; N308-G312 PolarHBondContact O-N 2.89Å
313	Q	89.1	Confident	89.6	Confident	98 Å²	98	57.6 Å²	57.6	46%	0.458	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142.4	-173.8	-68.8	-176	-18.1	0	0	111.4	N308 T311	N308-Q313 PolarHBondContact N-O 3.22Å; T311-Q313 PolarHBondContact O-N 2.94Å; T311-Q313 PolarHBondContact OG1-N 3.35Å
314	W	92.1	Very high	88.8	Confident	56 Å²	56	56.6 Å²	56.6	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.7	169.8	-70.4	94.3	0	0	0	111.6	L290 D305 C306 Y307 V530 R545 L546 P547	L290-W314 HydrophobicContact CD1-CH2 3.65Å; L290-W314 HydrophobicContact CD1-CZ3 3.71Å; L290-W314 HydrophobicContact CD2-CH2 4.07Å; L290-W314 HydrophobicContact CD2-CZ3 4.3Å; L290-W314 HydrophobicContact CG-CH2 4.5Å; D305-W314 HydrophobicContact CB-CE3 3.9Å; D305-W314 HydrophobicContact CB-CZ3 3.88Å; C306-W314 CarbonylContact O-C 3.54Å; C306-W314 VanDerWaalsContact O-CA 3.26Å; C306-W314 WeakPolarHBondContact O-CA 3.31Å; Y307-W314 AromaticContact CD2-CD1 3.97Å; Y307-W314 HydrophobicContact CD2-CD2 4.06Å; Y307-W314 AromaticContact CD2-CE2 3.56Å; Y307-W314 HydrophobicContact CD2-CG 4.3Å; Y307-W314 AromaticContact CD2-CZ2 3.96Å; Y307-W314 HydrophobicContact CD2-CZ2 3.96Å; Y307-W314 AromaticContact CD2-NE1 3.5Å; Y307-W314 HydrophobicContact CG-CD2 4.4Å; Y307-W314 AromaticContact CG-CE2 3.97Å; Y307-W314 HydrophobicContact CG-CH2 4.43Å; Y307-W314 AromaticContact CG-CZ2 3.98Å; Y307-W314 HydrophobicContact CG-CZ2 3.98Å; W314-V530 HydrophobicContact CZ2-CG2 4.07Å; W314-R545 PolarHBondContact NE1-O 3.39Å; W314-L546 HydrophobicContact CH2-CD2 3.39Å; W314-L546 HydrophobicContact CZ2-CD2 3.64Å; W314-L546 HydrophobicContact CZ3-CD2 4.38Å; W314-P547 HydrophobicContact CB-CG 4.09Å; W314-P547 HydrophobicContact CD2-CG 3.87Å; W314-P547 HydrophobicContact CE3-CG 3.87Å; W314-P547 HydrophobicContact CG-CG 3.97Å
315	R	91.8	Very high	88.1	Confident	111 Å²	111	56.9 Å²	56.9	42%	0.419	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.4	174.2	-58.6	-176.7	-174.1	-170.7	0.4	110.6	C306	C306-R315 PolarHBondContact N-O 3.48Å; C306-R315 PolarHBondContact O-N 2.86Å; C306-R315 PolarHBondContact SG-O 2.76Å
316	Y	91.6	Very high	87.7	Confident	174 Å²	174	57.7 Å²	57.7	68%	0.682	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.8	173.8	-53.5	-74.5	0	0	0	111.6	D305	D305-Y316 WeakPolarHBondContact OD1-CD1 3.32Å; D305-Y316 WeakPolarHBondContact OD1-CE1 3.46Å
317	L	94.1	Very high	87.4	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	31%	0.306	C	S	.	.			trans	-102	-176.8	166.1	-58.9	-173.9	0	0	0	109.4	V289 V304 C306 E319 Y355	V289-L317 HydrophobicContact CG1-CD1 3.86Å; V289-L317 HydrophobicContact CG2-CD1 3.94Å; V304-L317 HydrophobicContact CB-CB 4.14Å; V304-L317 HydrophobicContact CG1-CB 3.82Å; V304-L317 HydrophobicContact CG1-CD1 4.07Å; V304-L317 HydrophobicContact CG1-CG 4.35Å; V304-L317 PolarHBondContact O-N 3.42Å; C306-L317 HydrophobicContact CB-CD1 3.95Å; C306-L317 HydrophobicContact CB-CD2 4.38Å; C306-L317 HydrophobicContact CB-CG 4.04Å; L317-E319 PolarHBondContact O-N 2.89Å; L317-Y355 HydrophobicContact CB-CE2 4.47Å; L317-Y355 HydrophobicContact CD1-CE1 4.16Å
318	A	93.8	Very high	87.4	Confident	24 Å²	24	59.3 Å²	59.3	20%	0.198	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-60.1	126.6	172.4	0	0	0	0	0	110.1	V304 Y355 N360 W362	V304-A318 WeakPolarHBondContact CG2-O 3.17Å; A318-Y355 HydrophobicContact CB-CE2 4.23Å; A318-N360 WeakPolarHBondContact CB-O 3.26Å; A318-N360 PolarHBondContact N-ND2 2.81Å; A318-N360 PolarHBondContact N-OD1 2.99Å; A318-W362 PolarHBondContact O-NE1 3.27Å
319	E	93.5	Very high	87.5	Confident	135 Å²	135	59.7 Å²	59.7	63%	0.631	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-57.2	148.9	174.9	-67.2	175.4	171.1	0	0	110.3	L317 W362	L317-E319 PolarHBondContact O-N 2.89Å; E319-W362 PolarHBondContact O-NE1 3.09Å
320	F	92.1	Very high	87.8	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.044	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-68.1	131.2	175.7	-170.6	-94.9	0	0	0	109.2	V302 V304 D322 L324 V339 W353 W362	V302-F320 HydrophobicContact CB-CB 4.32Å; V302-F320 PolarHBondContact O-N 3.25Å; V304-F320 HydrophobicContact CG2-CB 4.41Å; F320-D322 VanDerWaalsContact C-N 3.32Å; F320-D322 WeakPolarHBondContact CD1-O 3.14Å; F320-D322 HydrophobicContact CE1-CB 4Å; F320-D322 PolarHBondContact O-N 3.13Å; F320-L324 HydrophobicContact CB-CD1 4.23Å; F320-L324 HydrophobicContact CB-CG 4.44Å; F320-L324 HydrophobicContact CD1-CD1 4.17Å; F320-L324 HydrophobicContact CD1-CD2 3.73Å; F320-L324 HydrophobicContact CD1-CG 3.48Å; F320-L324 VanDerWaalsContact CD1-CG 3.48Å; F320-L324 HydrophobicContact CD2-CD2 3.84Å; F320-L324 HydrophobicContact CD2-CG 4.33Å; F320-L324 HydrophobicContact CE1-CD2 3.53Å; F320-L324 HydrophobicContact CE1-CG 3.64Å; F320-L324 HydrophobicContact CE2-CD2 3.65Å; F320-L324 HydrophobicContact CE2-CG 4.46Å; F320-L324 HydrophobicContact CG-CD1 4.1Å; F320-L324 HydrophobicContact CG-CD2 3.87Å; F320-L324 HydrophobicContact CG-CG 3.83Å; F320-L324 HydrophobicContact CZ-CD2 3.47Å; F320-L324 VanDerWaalsContact CZ-CD2 3.47Å; F320-L324 HydrophobicContact CZ-CG 4.14Å; F320-V339 HydrophobicContact CE2-CB 4.12Å; F320-V339 HydrophobicContact CE2-CG1 4.27Å; F320-V339 HydrophobicContact CE2-CG2 4.06Å; F320-V339 HydrophobicContact CZ-CG1 4.44Å; F320-W353 HydrophobicContact CE2-CB 3.62Å; F320-W353 HydrophobicContact CE2-CD2 4.38Å; F320-W353 AromaticContact CE2-CG 3.73Å; F320-W353 HydrophobicContact CE2-CG 3.73Å; F320-W353 HydrophobicContact CZ-CB 3.98Å; F320-W353 AromaticContact CZ-CD1 3.42Å; F320-W353 VanDerWaalsContact CZ-CD1 3.42Å; F320-W353 HydrophobicContact CZ-CD2 4.18Å; F320-W353 AromaticContact CZ-CG 3.59Å; F320-W353 HydrophobicContact CZ-CG 3.59Å; F320-W353 AromaticContact CZ-NE1 3.85Å; F320-W362 AromaticContact CD2-CD2 3.97Å; F320-W362 HydrophobicContact CD2-CD2 3.97Å; F320-W362 AromaticContact CD2-CE2 3.91Å; F320-W362 AromaticContact CD2-CE3 3.94Å; F320-W362 HydrophobicContact CD2-CE3 3.94Å; F320-W362 AromaticContact CD2-CH2 3.84Å; F320-W362 HydrophobicContact CD2-CH2 3.84Å; F320-W362 AromaticContact CD2-CZ2 3.87Å; F320-W362 HydrophobicContact CD2-CZ2 3.87Å; F320-W362 AromaticContact CD2-CZ3 3.87Å; F320-W362 HydrophobicContact CD2-CZ3 3.87Å; F320-W362 HydrophobicContact CE2-CD2 4.47Å; F320-W362 HydrophobicContact CE2-CE3 4.03Å; F320-W362 HydrophobicContact CE2-CH2 4.25Å; F320-W362 AromaticContact CE2-CZ3 3.9Å; F320-W362 HydrophobicContact CE2-CZ3 3.9Å
321	P	85.8	Confident	88.4	Confident	75 Å²	75	53.7 Å²	53.7	49%	0.487	28%	0.282	S	S	.	.	S	Bend	trans	-78.3	-10.6	-165.4	28.3	-35.4	0	0	0	115.2	W353 W362	P321-W353 HydrophobicContact CB-CH2 4.3Å; P321-W353 HydrophobicContact CB-CZ3 4.3Å; P321-W353 HydrophobicContact CG-CD2 4.22Å; P321-W353 HydrophobicContact CG-CE3 3.63Å; P321-W353 HydrophobicContact CG-CH2 3.59Å; P321-W353 HydrophobicContact CG-CZ2 4.17Å; P321-W353 HydrophobicContact CG-CZ3 3.3Å; P321-W362 HydrophobicContact CG-CB 3.82Å; P321-W362 HydrophobicContact CG-CG 4.34Å
322	D	78.1	Confident	88.8	Confident	76 Å²	76	52.7 Å²	52.7	41%	0.406	28%	0.279	S	S	.	.	S	Bend	trans	-136.1	-170.2	-173.4	-154	-15.5	0	0	0	110.9	V302 F320 W353	V302-D322 WeakPolarHBondContact CG1-O 3.14Å; F320-D322 VanDerWaalsContact C-N 3.32Å; F320-D322 WeakPolarHBondContact CD1-O 3.14Å; F320-D322 HydrophobicContact CE1-CB 4Å; F320-D322 PolarHBondContact O-N 3.13Å; D322-W353 HydrophobicContact CB-CZ2 4.11Å
323	H	73.4	Confident	89.1	Confident	123 Å²	123	50.9 Å²	50.9	57%	0.569	26%	0.259	S	S	*	.			trans	-81.3	119.6	170.7	-63.8	-78.2	0	0	0	110.3	G325	H323-G325 VanDerWaalsContact C-N 3.33Å
324	L	74.6	Confident	89.1	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	25%	0.246	C	C	.	.			trans	-70.2	-34	173.8	-78.2	164.8	0	0	0	111.7	V291 F320 Y328 V339	V291-L324 HydrophobicContact CG1-CD1 4.01Å; V291-L324 HydrophobicContact CG1-CD2 4.44Å; F320-L324 HydrophobicContact CB-CD1 4.23Å; F320-L324 HydrophobicContact CB-CG 4.44Å; F320-L324 HydrophobicContact CD1-CD1 4.17Å; F320-L324 HydrophobicContact CD1-CD2 3.73Å; F320-L324 HydrophobicContact CD1-CG 3.48Å; F320-L324 VanDerWaalsContact CD1-CG 3.48Å; F320-L324 HydrophobicContact CD2-CD2 3.84Å; F320-L324 HydrophobicContact CD2-CG 4.33Å; F320-L324 HydrophobicContact CE1-CD2 3.53Å; F320-L324 HydrophobicContact CE1-CG 3.64Å; F320-L324 HydrophobicContact CE2-CD2 3.65Å; F320-L324 HydrophobicContact CE2-CG 4.46Å; F320-L324 HydrophobicContact CG-CD1 4.1Å; F320-L324 HydrophobicContact CG-CD2 3.87Å; F320-L324 HydrophobicContact CG-CG 3.83Å; F320-L324 HydrophobicContact CZ-CD2 3.47Å; F320-L324 VanDerWaalsContact CZ-CD2 3.47Å; F320-L324 HydrophobicContact CZ-CG 4.14Å; L324-Y328 HydrophobicContact CB-CD1 4.03Å; L324-Y328 HydrophobicContact CB-CE1 3.99Å; L324-Y328 HydrophobicContact CD2-CD1 4.49Å; L324-Y328 HydrophobicContact CD2-CD2 4.41Å; L324-Y328 HydrophobicContact CD2-CE2 4.5Å; L324-Y328 HydrophobicContact CD2-CG 4.43Å; L324-V339 HydrophobicContact CD2-CG1 3.59Å
325	G	79.4	Confident	89.1	Confident	8 Å²	8	46.6 Å²	46.6	8%	0.082	25%	0.248	C	C	.	.			trans	61.5	-167	-171.9	0	0	0	0	0	113	H323 Y328 S343	H323-G325 VanDerWaalsContact C-N 3.33Å; G325-Y328 VanDerWaalsContact O-CD1 3.3Å; G325-Y328 WeakPolarHBondContact O-CD1 3.34Å; G325-Y328 WeakPolarHBondContact O-CE1 3.25Å; G325-S343 CarbonylContact C-O 3.49Å; G325-S343 WeakPolarHBondContact CA-O 3.18Å
326	G	85.4	Confident	89.3	Confident	26 Å²	26	43 Å²	43	27%	0.268	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-89.2	158.1	171.8	0	0	0	0	0	113	Y328 G342 S343	G326-Y328 VanDerWaalsContact C-N 3.27Å; G326-Y328 PolarHBondContact O-N 2.97Å; G326-G342 CarbonylContact O-C 3.57Å; G326-G342 VanDerWaalsContact O-CA 3.25Å; G326-G342 WeakPolarHBondContact O-CA 3.46Å; G326-S343 PolarHBondContact N-O 2.73Å; G326-S343 PolarHBondContact O-N 3.17Å
327	G	88.3	Confident	89.6	Confident	18 Å²	18	34.7 Å²	34.7	19%	0.186	20%	0.204	C	C	.	.	S	Bend	trans	69.9	14	167	0	0	0	0	0	116.1	E373 Y374	G327-E373 CarbonylContact O-C 3.58Å; G327-E373 WeakPolarHBondContact O-CA 3.44Å; G327-Y374 PolarHBondContact O-N 2.99Å
328	Y	93.9	Very high	89.7	Confident	29 Å²	29	34.4 Å²	34.4	11%	0.114	20%	0.202	C	C	.	.			trans	-68.9	164.4	169.3	65.5	-88.7	0	0	0	111.1	V291 G293 L324 G325 G326 I330 V339 G341 W552 G554	V291-Y328 PolarHBondContact O-OH 2.77Å; G293-Y328 PolarHBondContact N-OH 2.88Å; L324-Y328 HydrophobicContact CB-CD1 4.03Å; L324-Y328 HydrophobicContact CB-CE1 3.99Å; L324-Y328 HydrophobicContact CD2-CD1 4.49Å; L324-Y328 HydrophobicContact CD2-CD2 4.41Å; L324-Y328 HydrophobicContact CD2-CE2 4.5Å; L324-Y328 HydrophobicContact CD2-CG 4.43Å; G325-Y328 VanDerWaalsContact O-CD1 3.3Å; G325-Y328 WeakPolarHBondContact O-CD1 3.34Å; G325-Y328 WeakPolarHBondContact O-CE1 3.25Å; G326-Y328 VanDerWaalsContact C-N 3.27Å; G326-Y328 PolarHBondContact O-N 2.97Å; Y328-I330 HydrophobicContact CD2-CG2 3.59Å; Y328-I330 HydrophobicContact CE2-CG2 3.53Å; Y328-V339 HydrophobicContact CD2-CG1 3.94Å; Y328-V339 HydrophobicContact CG-CG1 4.33Å; Y328-G341 WeakPolarHBondContact CB-O 3.37Å; Y328-W552 PolarHBondContact OH-O 2.87Å; Y328-G554 PolarHBondContact OH-N 2.85Å
329	S	94.3	Very high	89.8	Confident	16 Å²	16	33.4 Å²	33.4	11%	0.112	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.2	174.9	-172.5	0	0	0	0	110.7	T340 S377	S329-T340 PolarHBondContact N-O 2.97Å; S329-T340 VanDerWaalsContact N-O 3.09Å; S329-T340 PolarHBondContact O-N 2.98Å; S329-T340 PolarHBondContact O-OG1 3.11Å; S329-S377 WeakPolarHBondContact CB-OG 3.46Å; S329-S377 VanDerWaalsContact OG-CB 3.28Å; S329-S377 WeakPolarHBondContact OG-CB 3.31Å; S329-S377 PolarHBondContact OG-N 3.46Å; S329-S377 PolarHBondContact OG-OG 2.93Å
330	I	95.2	Very high	89.9	Confident	22 Å²	22	27 Å²	27	11%	0.113	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.5	178.6	78.2	158.6	0	0	0	112.1	V291 Y328 Y338 V339 G554 S555 V556	V291-I330 HydrophobicContact CB-CD1 4.37Å; V291-I330 HydrophobicContact CG2-CD1 4.16Å; Y328-I330 HydrophobicContact CD2-CG2 3.59Å; Y328-I330 HydrophobicContact CE2-CG2 3.53Å; I330-Y338 CarbonylContact C-O 3.34Å; I330-Y338 VanDerWaalsContact CA-O 3.25Å; I330-Y338 WeakPolarHBondContact CA-O 3.09Å; I330-V339 HydrophobicContact CG2-CB 4.47Å; I330-V339 HydrophobicContact CG2-CG1 4.38Å; I330-V339 HydrophobicContact CG2-CG2 3.9Å; I330-G554 VanDerWaalsContact CD1-CA 3.42Å; I330-S555 VanDerWaalsContact CD1-N 3.34Å; I330-V556 HydrophobicContact CD1-CB 4.27Å; I330-V556 HydrophobicContact CD1-CG1 3.64Å; I330-V556 HydrophobicContact CD1-CG2 3.92Å; I330-V556 HydrophobicContact CG1-CG1 3.82Å
331	V	95.5	Very high	90	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.097	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	147	175.4	70.1	0	0	0	0	111.3	Y338 V379 L384	V331-Y338 PolarHBondContact N-O 2.78Å; V331-Y338 PolarHBondContact O-N 2.66Å; V331-V379 HydrophobicContact CG1-CG2 4.17Å; V331-V379 HydrophobicContact CG2-CB 4.34Å; V331-V379 HydrophobicContact CG2-CG2 3.61Å; V331-L384 HydrophobicContact CG1-CD1 3.51Å; V331-L384 HydrophobicContact CG1-CG 3.84Å
332	A	95.1	Very high	90.3	Very high	27 Å²	27	23.2 Å²	23.2	22%	0.223	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.2	170.6	0	0	0	0	0	110.1	D336 V556 I558	A332-D336 WeakPolarHBondContact CA-O 3.48Å; A332-V556 HydrophobicContact CB-CB 4.12Å; A332-V556 HydrophobicContact CB-CG1 4.38Å; A332-I558 HydrophobicContact CB-CG2 4.32Å
333	L	93.9	Very high	90.9	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.9	172.7	173.1	61.5	0	0	0	108.8	A263 N335 D336 Y338 V379 G382 L384 H397	A263-L333 HydrophobicContact CB-CD1 3.97Å; L333-N335 PolarHBondContact O-N 2.87Å; L333-N335 VanDerWaalsContact O-N 3.13Å; L333-D336 PolarHBondContact N-O 3.48Å; L333-D336 PolarHBondContact O-N 3.27Å; L333-Y338 HydrophobicContact CB-CD2 3.79Å; L333-Y338 HydrophobicContact CB-CE2 3.68Å; L333-Y338 HydrophobicContact CD2-CE2 4.01Å; L333-Y338 HydrophobicContact CG-CE2 4.23Å; L333-V379 HydrophobicContact CB-CG2 3.86Å; L333-V379 HydrophobicContact CD1-CB 4.43Å; L333-V379 HydrophobicContact CD1-CG1 3.55Å; L333-V379 HydrophobicContact CD1-CG2 3.93Å; L333-V379 HydrophobicContact CG-CG2 4.43Å; L333-G382 WeakPolarHBondContact CD1-O 3.49Å; L333-L384 HydrophobicContact CD2-CB 4.26Å; L333-H397 HydrophobicContact CD2-CB 3.94Å
334	G	89.8	Confident	91.5	Very high	19 Å²	19	17.3 Å²	17.3	20%	0.196	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-107.5	-172.2	0	0	0	0	0	110.7	A263 R267	A263-G334 VanDerWaalsContact CB-CA 3.42Å; R267-G334 PolarHBondContact NH1-O 3.24Å; R267-G334 PolarHBondContact NH2-O 3.14Å
335	N	92.3	Very high	91.9	Very high	45 Å²	45	20.6 Å²	20.6	24%	0.241	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	0.5	176.3	-154.8	61.1	0	0	0	113.4	L333 S357 I558 F559	L333-N335 PolarHBondContact O-N 2.87Å; L333-N335 VanDerWaalsContact O-N 3.13Å; N335-S357 WeakPolarHBondContact ND2-CB 3.36Å; N335-S357 PolarHBondContact ND2-OG 2.98Å; N335-S357 WeakPolarHBondContact O-CB 3.4Å; N335-S357 PolarHBondContact O-OG 2.83Å; N335-I558 WeakPolarHBondContact O-CG2 3.5Å; N335-F559 PolarHBondContact ND2-O 3.4Å; N335-F559 WeakPolarHBondContact OD1-CA 3.5Å; N335-F559 VanDerWaalsContact OD1-CB 3.3Å; N335-F559 WeakPolarHBondContact OD1-CB 3.38Å; N335-F559 PolarHBondContact OD1-N 2.94Å; N335-F559 PolarHBondContact OD1-O 2.82Å
336	D	95.3	Very high	92.2	Very high	34 Å²	34	25.1 Å²	25.1	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	156.1	-177.1	-66.6	-23	0	0	0	109.8	A332 L333 Y338 R354 Y355 S357	A332-D336 WeakPolarHBondContact CA-O 3.48Å; L333-D336 PolarHBondContact N-O 3.48Å; L333-D336 PolarHBondContact O-N 3.27Å; D336-Y338 HydrophobicContact CB-CE2 4.13Å; D336-R354 HydrophobicContact CB-CG 4.19Å; D336-Y355 WeakPolarHBondContact CA-O 3.44Å; D336-Y355 VanDerWaalsContact CB-O 3.25Å; D336-Y355 WeakPolarHBondContact CB-O 3.45Å; D336-S357 PolarHBondContact OD1-N 2.8Å; D336-S357 PolarHBondContact OD1-OG 2.58Å
337	I	97	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136	-178.9	-52.2	171.8	0	0	0	107.9	V289 R354 Y355 V556 I558	V289-I337 HydrophobicContact CB-CD1 3.8Å; V289-I337 HydrophobicContact CG1-CD1 3.58Å; V289-I337 HydrophobicContact CG2-CD1 4.09Å; I337-R354 CarbonylContact O-C 3.57Å; I337-R354 WeakPolarHBondContact O-CA 3.26Å; I337-Y355 HydrophobicContact CB-CD1 4.48Å; I337-Y355 HydrophobicContact CD1-CD1 3.99Å; I337-Y355 HydrophobicContact CG1-CD1 4.2Å; I337-Y355 PolarHBondContact N-O 3.46Å; I337-Y355 PolarHBondContact O-N 3.1Å; I337-V556 HydrophobicContact CB-CG2 4.44Å; I337-V556 HydrophobicContact CD1-CG2 3.68Å; I337-V556 HydrophobicContact CG1-CG2 3.79Å; I337-V556 HydrophobicContact CG2-CG2 3.86Å; I337-I558 HydrophobicContact CD1-CD1 4.2Å; I337-I558 HydrophobicContact CD1-CG2 4.17Å; I337-I558 HydrophobicContact CG1-CG2 3.72Å
338	Y	97	Very high	92.6	Very high	5 Å²	5	34 Å²	34	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	175.2	-70.1	-102.4	0	0	0	109.1	I330 V331 L333 D336 V352 W353 R354 V365 L384 Y395	I330-Y338 CarbonylContact C-O 3.34Å; I330-Y338 VanDerWaalsContact CA-O 3.25Å; I330-Y338 WeakPolarHBondContact CA-O 3.09Å; V331-Y338 PolarHBondContact N-O 2.78Å; V331-Y338 PolarHBondContact O-N 2.66Å; L333-Y338 HydrophobicContact CB-CD2 3.79Å; L333-Y338 HydrophobicContact CB-CE2 3.68Å; L333-Y338 HydrophobicContact CD2-CE2 4.01Å; L333-Y338 HydrophobicContact CG-CE2 4.23Å; D336-Y338 HydrophobicContact CB-CE2 4.13Å; Y338-V352 HydrophobicContact CD1-CG1 4.2Å; Y338-W353 CarbonylContact C-O 3.51Å; Y338-W353 VanDerWaalsContact CA-O 3.3Å; Y338-W353 WeakPolarHBondContact CA-O 3.16Å; Y338-R354 HydrophobicContact CD1-CB 4.11Å; Y338-R354 HydrophobicContact CD1-CG 4.34Å; Y338-R354 HydrophobicContact CE1-CB 3.81Å; Y338-R354 HydrophobicContact CE1-CG 3.79Å; Y338-R354 HydrophobicContact CE2-CG 4.01Å; Y338-R354 VanDerWaalsContact OH-CD 3.24Å; Y338-R354 WeakPolarHBondContact OH-CD 3.21Å; Y338-V365 HydrophobicContact CE1-CG2 4.35Å; Y338-L384 HydrophobicContact CD1-CD1 4.1Å; Y338-L384 HydrophobicContact CD2-CD1 4.42Å; Y338-L384 HydrophobicContact CG-CD1 3.77Å; Y338-Y395 HydrophobicContact CD1-CE1 4.35Å; Y338-Y395 HydrophobicContact CE1-CD1 4.43Å; Y338-Y395 AromaticContact CE1-CE1 3.68Å; Y338-Y395 HydrophobicContact CE1-CE1 3.68Å
339	V	96.7	Very high	92.6	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.1	171.2	-179.5	0	0	0	0	107.1	V291 F320 L324 Y328 I330 V352 W353 W362	V291-V339 HydrophobicContact CG1-CG2 4.17Å; F320-V339 HydrophobicContact CE2-CB 4.12Å; F320-V339 HydrophobicContact CE2-CG1 4.27Å; F320-V339 HydrophobicContact CE2-CG2 4.06Å; F320-V339 HydrophobicContact CZ-CG1 4.44Å; L324-V339 HydrophobicContact CD2-CG1 3.59Å; Y328-V339 HydrophobicContact CD2-CG1 3.94Å; Y328-V339 HydrophobicContact CG-CG1 4.33Å; I330-V339 HydrophobicContact CG2-CB 4.47Å; I330-V339 HydrophobicContact CG2-CG1 4.38Å; I330-V339 HydrophobicContact CG2-CG2 3.9Å; V339-V352 WeakPolarHBondContact O-CA 3.33Å; V339-W353 HydrophobicContact CB-CB 4.34Å; V339-W353 PolarHBondContact N-O 2.96Å; V339-W353 PolarHBondContact O-N 3.21Å; V339-W362 HydrophobicContact CB-CZ3 4.46Å; V339-W362 HydrophobicContact CG2-CH2 3.61Å; V339-W362 HydrophobicContact CG2-CZ3 3.65Å
340	T	95.6	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.1	-173.4	54	0	0	0	0	110.5	S329 V352 H375 S377 L384 V386	S329-T340 PolarHBondContact N-O 2.97Å; S329-T340 VanDerWaalsContact N-O 3.09Å; S329-T340 PolarHBondContact O-N 2.98Å; S329-T340 PolarHBondContact O-OG1 3.11Å; T340-V352 HydrophobicContact CG2-CG1 3.91Å; T340-V352 HydrophobicContact CG2-CG2 4.26Å; T340-H375 PolarHBondContact O-CE1 3.05Å; T340-H375 PolarHBondContact O-NE2 2.89Å; T340-H375 VanDerWaalsContact O-NE2 3.09Å; T340-H375 PolarHBondContact OG1-NE2 3.1Å; T340-S377 PolarHBondContact OG1-OG 3.03Å; T340-L384 HydrophobicContact CG2-CD1 4.43Å; T340-L384 HydrophobicContact CG2-CD2 4.36Å; T340-V386 HydrophobicContact CG2-CG2 4.23Å
341	G	93.8	Very high	92.5	Very high	7 Å²	7	35.9 Å²	35.9	7%	0.072	22%	0.216	C	C	.	.			trans	57.7	-149.2	172.6	0	0	0	0	0	114.4	Y328 Y349 C351 M368	Y328-G341 WeakPolarHBondContact CB-O 3.37Å; G341-Y349 WeakPolarHBondContact CA-O 3.3Å; G341-C351 PolarHBondContact N-O 2.83Å; G341-M368 VanDerWaalsContact CA-CE 3.43Å
342	G	91.7	Very high	92.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.212	C	C	.	.			trans	113	-178.8	-173.6	0	0	0	0	0	112.2	G326 Y349 R372	G326-G342 CarbonylContact O-C 3.57Å; G326-G342 VanDerWaalsContact O-CA 3.25Å; G326-G342 WeakPolarHBondContact O-CA 3.46Å; G342-Y349 WeakPolarHBondContact O-CD2 3.48Å; G342-Y349 PolarHBondContact O-N 2.77Å; G342-R372 PolarHBondContact N-O 2.7Å
343	S	90	Very high	92.6	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.091	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-149.4	147.4	176	87.4	0	0	0	0	112.4	G325 G326 G345 R347 E373	G325-S343 CarbonylContact C-O 3.49Å; G325-S343 WeakPolarHBondContact CA-O 3.18Å; G326-S343 PolarHBondContact N-O 2.73Å; G326-S343 PolarHBondContact O-N 3.17Å; S343-G345 VanDerWaalsContact C-N 3.28Å; S343-G345 PolarHBondContact OG-N 2.89Å; S343-R347 VanDerWaalsContact CA-O 3.27Å; S343-R347 WeakPolarHBondContact CA-O 3.44Å; S343-R347 WeakPolarHBondContact CB-O 3.46Å; S343-E373 WeakPolarHBondContact CB-OE2 3.43Å; S343-E373 PolarHBondContact OG-OE2 3.15Å
344	D	85.8	Confident	92.8	Very high	62 Å²	62	38.7 Å²	38.7	33%	0.332	22%	0.219	S	C	.	.			trans	-94.8	18	169.9	67.8	0.9	0	0	0	112.1	S346 R347 Y349	D344-S346 VanDerWaalsContact CG-OG 3.28Å; D344-S346 PolarHBondContact O-N 3.27Å; D344-S346 VanDerWaalsContact O-N 3.14Å; D344-S346 WeakPolarHBondContact OD1-CA 3.21Å; D344-S346 WeakPolarHBondContact OD1-CB 3.29Å; D344-S346 PolarHBondContact OD1-N 3.03Å; D344-S346 PolarHBondContact OD1-OG 3.27Å; D344-S346 PolarHBondContact OD2-OG 3.25Å; D344-R347 PolarHBondContact N-O 3.14Å; D344-R347 PolarHBondContact OD1-N 3.01Å; D344-Y349 HydrophobicContact CB-CE2 4.1Å; D344-Y349 VanDerWaalsContact CG-OH 3.27Å; D344-Y349 PolarHBondContact OD2-OH 3.12Å
345	G	83.8	Confident	93.2	Very high	76 Å²	76	37.8 Å²	37.8	78%	0.784	21%	0.21	S	C	*	.	S	Bend	trans	75.1	-16.6	-171.3	0	0	0	0	0	115.3	S343	S343-G345 VanDerWaalsContact C-N 3.28Å; S343-G345 PolarHBondContact OG-N 2.89Å
346	S	86.1	Confident	93.3	Very high	103 Å²	103	37.6 Å²	37.6	72%	0.72	21%	0.209	S	C	*	.	S	Bend	trans	-103.3	-34.4	177.3	83.9	0	0	0	0	112.8	D344	D344-S346 VanDerWaalsContact CG-OG 3.28Å; D344-S346 PolarHBondContact O-N 3.27Å; D344-S346 VanDerWaalsContact O-N 3.14Å; D344-S346 WeakPolarHBondContact OD1-CA 3.21Å; D344-S346 WeakPolarHBondContact OD1-CB 3.29Å; D344-S346 PolarHBondContact OD1-N 3.03Å; D344-S346 PolarHBondContact OD1-OG 3.27Å; D344-S346 PolarHBondContact OD2-OG 3.25Å
347	R	89.6	Confident	93.1	Very high	153 Å²	153	36.7 Å²	36.7	58%	0.577	21%	0.205	S	C	*	.			trans	-139.2	141.1	-175.5	177.2	173.7	178.1	-170.5	-3	110.4	S343 D344 Y349	S343-R347 VanDerWaalsContact CA-O 3.27Å; S343-R347 WeakPolarHBondContact CA-O 3.44Å; S343-R347 WeakPolarHBondContact CB-O 3.46Å; D344-R347 PolarHBondContact N-O 3.14Å; D344-R347 PolarHBondContact OD1-N 3.01Å; R347-Y349 HydrophobicContact CG-CD1 4.48Å; R347-Y349 HydrophobicContact CG-CE1 4.25Å
348	L	92.6	Very high	92.8	Very high	78 Å²	78	41.4 Å²	41.4	41%	0.408	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-85.6	139.3	166.4	-63.6	174.7	0	0	0	110.1	A371 E373	L348-A371 HydrophobicContact CB-CB 3.88Å; L348-E373 HydrophobicContact CD2-CB 4.08Å; L348-E373 HydrophobicContact CD2-CG 3.66Å
349	Y	93	Very high	92.6	Very high	33 Å²	33	44.9 Å²	44.9	13%	0.129	26%	0.259	C	S	.	.			trans	-101.4	138.5	179.4	-61.2	-60.9	0	0	0	111.9	G341 G342 D344 R347 A371 R372	G341-Y349 WeakPolarHBondContact CA-O 3.3Å; G342-Y349 WeakPolarHBondContact O-CD2 3.48Å; G342-Y349 PolarHBondContact O-N 2.77Å; D344-Y349 HydrophobicContact CB-CE2 4.1Å; D344-Y349 VanDerWaalsContact CG-OH 3.27Å; D344-Y349 PolarHBondContact OD2-OH 3.12Å; R347-Y349 HydrophobicContact CG-CD1 4.48Å; R347-Y349 HydrophobicContact CG-CE1 4.25Å; Y349-A371 VanDerWaalsContact O-CA 3.29Å; Y349-A371 WeakPolarHBondContact O-CA 3.38Å; Y349-R372 PolarHBondContact O-N 2.84Å; Y349-R372 VanDerWaalsContact O-N 3.08Å
350	D	94.5	Very high	92.5	Very high	54 Å²	54	47.1 Å²	47.1	29%	0.289	27%	0.271	S	S	.	.			trans	-106.1	-8.6	167.5	55.6	-16.9	0	0	0	112.4	P367 M368 A371	D350-P367 HydrophobicContact CB-CB 4.42Å; D350-P367 CarbonylContact O-C 3.38Å; D350-P367 WeakPolarHBondContact O-CA 3.39Å; D350-P367 WeakPolarHBondContact O-CB 3.21Å; D350-M368 HydrophobicContact CB-CB 4.45Å; D350-M368 PolarHBondContact O-N 2.8Å; D350-A371 HydrophobicContact CB-CB 3.85Å
351	C	94.4	Very high	92.5	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.135	30%	0.299	C	S	.	.			trans	-63.2	152.3	-179.4	63.4	0	0	0	0	111.7	G341 E364	G341-C351 PolarHBondContact N-O 2.83Å; C351-E364 WeakPolarHBondContact CB-OE1 3.36Å
352	V	96.3	Very high	92.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.9	-178.1	-176.9	0	0	0	0	107.8	Y338 V339 T340 E364 V365 M368 W402	Y338-V352 HydrophobicContact CD1-CG1 4.2Å; V339-V352 WeakPolarHBondContact O-CA 3.33Å; T340-V352 HydrophobicContact CG2-CG1 3.91Å; T340-V352 HydrophobicContact CG2-CG2 4.26Å; V352-E364 WeakPolarHBondContact O-CA 3.47Å; V352-V365 HydrophobicContact CB-CG2 3.71Å; V352-V365 HydrophobicContact CG1-CG2 3.51Å; V352-V365 WeakPolarHBondContact O-CG2 3.48Å; V352-V365 PolarHBondContact O-N 3.02Å; V352-M368 HydrophobicContact CG2-CG 3.63Å; V352-W402 HydrophobicContact CG1-CZ2 4.45Å; V352-W402 HydrophobicContact CG2-CZ2 3.71Å
353	W	96.6	Very high	92.9	Very high	37 Å²	37	56.1 Å²	56.1	14%	0.14	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.3	-177.6	-72.7	91.2	0	0	0	110.2	F320 P321 D322 Y338 V339 W362 E364	F320-W353 HydrophobicContact CE2-CB 3.62Å; F320-W353 HydrophobicContact CE2-CD2 4.38Å; F320-W353 AromaticContact CE2-CG 3.73Å; F320-W353 HydrophobicContact CE2-CG 3.73Å; F320-W353 HydrophobicContact CZ-CB 3.98Å; F320-W353 AromaticContact CZ-CD1 3.42Å; F320-W353 VanDerWaalsContact CZ-CD1 3.42Å; F320-W353 HydrophobicContact CZ-CD2 4.18Å; F320-W353 AromaticContact CZ-CG 3.59Å; F320-W353 HydrophobicContact CZ-CG 3.59Å; F320-W353 AromaticContact CZ-NE1 3.85Å; P321-W353 HydrophobicContact CB-CH2 4.3Å; P321-W353 HydrophobicContact CB-CZ3 4.3Å; P321-W353 HydrophobicContact CG-CD2 4.22Å; P321-W353 HydrophobicContact CG-CE3 3.63Å; P321-W353 HydrophobicContact CG-CH2 3.59Å; P321-W353 HydrophobicContact CG-CZ2 4.17Å; P321-W353 HydrophobicContact CG-CZ3 3.3Å; D322-W353 HydrophobicContact CB-CZ2 4.11Å; Y338-W353 CarbonylContact C-O 3.51Å; Y338-W353 VanDerWaalsContact CA-O 3.3Å; Y338-W353 WeakPolarHBondContact CA-O 3.16Å; V339-W353 HydrophobicContact CB-CB 4.34Å; V339-W353 PolarHBondContact N-O 2.96Å; V339-W353 PolarHBondContact O-N 3.21Å; W353-W362 HydrophobicContact CB-CE3 3.92Å; W353-W362 HydrophobicContact CB-CZ3 4.11Å; W353-W362 HydrophobicContact CE3-CB 4.22Å; W353-E364 HydrophobicContact CD2-CB 4.48Å; W353-E364 HydrophobicContact CE3-CB 4.3Å; W353-E364 HydrophobicContact CH2-CB 4.42Å; W353-E364 HydrophobicContact CZ3-CB 4.26Å
354	R	97.1	Very high	93.2	Very high	71 Å²	71	61 Å²	61	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.2	174.2	-178.3	-170.9	66.6	-163.2	-5.5	110	D336 I337 Y338 W362 A363 V365	D336-R354 HydrophobicContact CB-CG 4.19Å; I337-R354 CarbonylContact O-C 3.57Å; I337-R354 WeakPolarHBondContact O-CA 3.26Å; Y338-R354 HydrophobicContact CD1-CB 4.11Å; Y338-R354 HydrophobicContact CD1-CG 4.34Å; Y338-R354 HydrophobicContact CE1-CB 3.81Å; Y338-R354 HydrophobicContact CE1-CG 3.79Å; Y338-R354 HydrophobicContact CE2-CG 4.01Å; Y338-R354 VanDerWaalsContact OH-CD 3.24Å; Y338-R354 WeakPolarHBondContact OH-CD 3.21Å; R354-W362 WeakPolarHBondContact O-CA 3.21Å; R354-A363 PolarHBondContact N-O 2.79Å; R354-A363 PolarHBondContact O-N 2.87Å; R354-V365 HydrophobicContact CB-CG1 3.81Å
355	Y	97.4	Very high	93.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.3	164.5	177.1	-104.8	0	0	0	110.1	L317 A318 D336 I337 S357 N360 W362 I558 R560	L317-Y355 HydrophobicContact CB-CE2 4.47Å; L317-Y355 HydrophobicContact CD1-CE1 4.16Å; A318-Y355 HydrophobicContact CB-CE2 4.23Å; D336-Y355 WeakPolarHBondContact CA-O 3.44Å; D336-Y355 VanDerWaalsContact CB-O 3.25Å; D336-Y355 WeakPolarHBondContact CB-O 3.45Å; I337-Y355 HydrophobicContact CB-CD1 4.48Å; I337-Y355 HydrophobicContact CD1-CD1 3.99Å; I337-Y355 HydrophobicContact CG1-CD1 4.2Å; I337-Y355 PolarHBondContact N-O 3.46Å; I337-Y355 PolarHBondContact O-N 3.1Å; Y355-S357 PolarHBondContact O-N 2.9Å; Y355-N360 PolarHBondContact OH-OD1 3.38Å; Y355-W362 AromaticContact CD2-CD1 3.99Å; Y355-W362 HydrophobicContact CD2-CD2 4.01Å; Y355-W362 AromaticContact CD2-CE2 3.66Å; Y355-W362 HydrophobicContact CD2-CG 4.21Å; Y355-W362 HydrophobicContact CD2-CZ2 4.1Å; Y355-W362 AromaticContact CD2-NE1 3.63Å; Y355-W362 HydrophobicContact CG-CD2 4.37Å; Y355-W362 HydrophobicContact CG-CH2 4.49Å; Y355-W362 HydrophobicContact CG-CZ2 4.16Å; Y355-I558 HydrophobicContact CE1-CD1 4.13Å; Y355-R560 PolarHBondContact OH-NH1 3.02Å
356	N	94.8	Very high	94.3	Very high	41 Å²	41	56 Å²	56	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	106.8	173.5	-173.2	-35.8	0	0	0	110	S358 V359 N360 E361	N356-S358 PolarHBondContact O-N 3.28Å; N356-S358 WeakPolarHBondContact OD1-CB 3.31Å; N356-S358 PolarHBondContact OD1-N 2.82Å; N356-S358 PolarHBondContact OD1-OG 2.88Å; N356-V359 HydrophobicContact CB-CG2 3.75Å; N356-V359 PolarHBondContact O-N 2.93Å; N356-N360 PolarHBondContact O-N 2.79Å; N356-E361 PolarHBondContact N-O 2.79Å
357	S	92.4	Very high	94.9	Very high	15 Å²	15	54.2 Å²	54.2	11%	0.105	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.1	-177.1	58.5	0	0	0	0	114.4	N335 D336 Y355	N335-S357 WeakPolarHBondContact ND2-CB 3.36Å; N335-S357 PolarHBondContact ND2-OG 2.98Å; N335-S357 WeakPolarHBondContact O-CB 3.4Å; N335-S357 PolarHBondContact O-OG 2.83Å; D336-S357 PolarHBondContact OD1-N 2.8Å; D336-S357 PolarHBondContact OD1-OG 2.58Å; Y355-S357 PolarHBondContact O-N 2.9Å
358	S	89.6	Confident	95.2	Very high	98 Å²	98	47.1 Å²	47.1	69%	0.685	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-28.8	-175.5	71.2	0	0	0	0	113.6	N356	N356-S358 PolarHBondContact O-N 3.28Å; N356-S358 WeakPolarHBondContact OD1-CB 3.31Å; N356-S358 PolarHBondContact OD1-N 2.82Å; N356-S358 PolarHBondContact OD1-OG 2.88Å
359	V	92.8	Very high	95.4	Very high	78 Å²	78	48.3 Å²	48.3	47%	0.473	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-8.3	-179.9	-63.3	0	0	0	0	113.4	N356 E361	N356-V359 HydrophobicContact CB-CG2 3.75Å; N356-V359 PolarHBondContact O-N 2.93Å; V359-E361 HydrophobicContact CG2-CB 4.02Å; V359-E361 HydrophobicContact CG2-CG 4.23Å
360	N	94.4	Very high	95.5	Very high	51 Å²	51	51.4 Å²	51.4	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	50.9	-178	-172.5	74.1	0	0	0	112.2	A318 Y355 N356 R560	A318-N360 WeakPolarHBondContact CB-O 3.26Å; A318-N360 PolarHBondContact N-ND2 2.81Å; A318-N360 PolarHBondContact N-OD1 2.99Å; Y355-N360 PolarHBondContact OH-OD1 3.38Å; N356-N360 PolarHBondContact O-N 2.79Å; N360-R560 PolarHBondContact OD1-NH2 3.12Å; N360-R560 VanDerWaalsContact OD1-NH2 3.08Å
361	E	95.9	Very high	95.5	Very high	125 Å²	125	50.3 Å²	50.3	58%	0.584	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.6	-178.7	-65.7	178.6	166	0	0	111	N356 V359	N356-E361 PolarHBondContact N-O 2.79Å; V359-E361 HydrophobicContact CG2-CB 4.02Å; V359-E361 HydrophobicContact CG2-CG 4.23Å
362	W	97.1	Very high	95.3	Very high	32 Å²	32	50 Å²	50	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.1	173.4	-69.8	96.3	0	0	0	110.8	V291 V304 A318 E319 F320 P321 V339 W353 R354 Y355	V291-W362 HydrophobicContact CG1-CH2 4.27Å; V291-W362 HydrophobicContact CG1-CZ2 4.4Å; V304-W362 HydrophobicContact CG2-CZ2 3.91Å; A318-W362 PolarHBondContact O-NE1 3.27Å; E319-W362 PolarHBondContact O-NE1 3.09Å; F320-W362 AromaticContact CD2-CD2 3.97Å; F320-W362 HydrophobicContact CD2-CD2 3.97Å; F320-W362 AromaticContact CD2-CE2 3.91Å; F320-W362 AromaticContact CD2-CE3 3.94Å; F320-W362 HydrophobicContact CD2-CE3 3.94Å; F320-W362 AromaticContact CD2-CH2 3.84Å; F320-W362 HydrophobicContact CD2-CH2 3.84Å; F320-W362 AromaticContact CD2-CZ2 3.87Å; F320-W362 HydrophobicContact CD2-CZ2 3.87Å; F320-W362 AromaticContact CD2-CZ3 3.87Å; F320-W362 HydrophobicContact CD2-CZ3 3.87Å; F320-W362 HydrophobicContact CE2-CD2 4.47Å; F320-W362 HydrophobicContact CE2-CE3 4.03Å; F320-W362 HydrophobicContact CE2-CH2 4.25Å; F320-W362 AromaticContact CE2-CZ3 3.9Å; F320-W362 HydrophobicContact CE2-CZ3 3.9Å; P321-W362 HydrophobicContact CG-CB 3.82Å; P321-W362 HydrophobicContact CG-CG 4.34Å; V339-W362 HydrophobicContact CB-CZ3 4.46Å; V339-W362 HydrophobicContact CG2-CH2 3.61Å; V339-W362 HydrophobicContact CG2-CZ3 3.65Å; W353-W362 HydrophobicContact CB-CE3 3.92Å; W353-W362 HydrophobicContact CB-CZ3 4.11Å; W353-W362 HydrophobicContact CE3-CB 4.22Å; R354-W362 WeakPolarHBondContact O-CA 3.21Å; Y355-W362 AromaticContact CD2-CD1 3.99Å; Y355-W362 HydrophobicContact CD2-CD2 4.01Å; Y355-W362 AromaticContact CD2-CE2 3.66Å; Y355-W362 HydrophobicContact CD2-CG 4.21Å; Y355-W362 HydrophobicContact CD2-CZ2 4.1Å; Y355-W362 AromaticContact CD2-NE1 3.63Å; Y355-W362 HydrophobicContact CG-CD2 4.37Å; Y355-W362 HydrophobicContact CG-CH2 4.49Å; Y355-W362 HydrophobicContact CG-CZ2 4.16Å
363	A	96.2	Very high	95.1	Very high	39 Å²	39	53.3 Å²	53.3	32%	0.322	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.8	172.4	0	0	0	0	0	110.2	R354	R354-A363 PolarHBondContact N-O 2.79Å; R354-A363 PolarHBondContact O-N 2.87Å
364	E	95.9	Very high	94.7	Very high	114 Å²	114	58.3 Å²	58.3	53%	0.533	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	141	170.7	-162.1	177.2	-175.8	0	0	109.9	C351 V352 W353	C351-E364 WeakPolarHBondContact CB-OE1 3.36Å; V352-E364 WeakPolarHBondContact O-CA 3.47Å; W353-E364 HydrophobicContact CD2-CB 4.48Å; W353-E364 HydrophobicContact CE3-CB 4.3Å; W353-E364 HydrophobicContact CH2-CB 4.42Å; W353-E364 HydrophobicContact CZ3-CB 4.26Å
365	V	97.1	Very high	94.6	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-177.1	174	-61	0	0	0	0	109.4	Y338 V352 R354	Y338-V365 HydrophobicContact CE1-CG2 4.35Å; V352-V365 HydrophobicContact CB-CG2 3.71Å; V352-V365 HydrophobicContact CG1-CG2 3.51Å; V352-V365 WeakPolarHBondContact O-CG2 3.48Å; V352-V365 PolarHBondContact O-N 3.02Å; R354-V365 HydrophobicContact CB-CG1 3.81Å
366	A	97.6	Very high	94.4	Very high	21 Å²	21	56.1 Å²	56.1	17%	0.174	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-50.8	131.8	179.8	0	0	0	0	0	111.6	Y395 D400 W402	A366-Y395 HydrophobicContact CB-CE2 4.26Å; A366-D400 VanDerWaalsContact CB-O 3.3Å; A366-D400 WeakPolarHBondContact CB-O 3.39Å; A366-D400 VanDerWaalsContact CB-OD1 3.29Å; A366-D400 WeakPolarHBondContact CB-OD1 3.35Å; A366-D400 PolarHBondContact N-OD1 2.8Å; A366-W402 PolarHBondContact O-NE1 3.01Å
367	P	97.3	Very high	94.5	Very high	65 Å²	65	54.6 Å²	54.6	42%	0.422	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-70.9	153.6	-179.9	30.3	-35.5	0	0	0	110.8	D350 W402	D350-P367 HydrophobicContact CB-CB 4.42Å; D350-P367 CarbonylContact O-C 3.38Å; D350-P367 WeakPolarHBondContact O-CA 3.39Å; D350-P367 WeakPolarHBondContact O-CB 3.21Å; P367-W402 PolarHBondContact O-NE1 2.76Å
368	M	96.9	Very high	94.6	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.025	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-57.6	157.3	172.5	-61.8	-173.9	-66.1	0	0	110.9	G341 D350 V352 K370 R372 V386 W402	G341-M368 VanDerWaalsContact CA-CE 3.43Å; D350-M368 HydrophobicContact CB-CB 4.45Å; D350-M368 PolarHBondContact O-N 2.8Å; V352-M368 HydrophobicContact CG2-CG 3.63Å; M368-K370 PolarHBondContact O-N 2.79Å; M368-R372 HydrophobicContact CE-CG 3.66Å; M368-R372 HydrophobicContact SD-CG 4.27Å; M368-V386 HydrophobicContact SD-CG1 4.07Å; M368-V386 HydrophobicContact SD-CG2 4.02Å; M368-W402 HydrophobicContact CG-CH2 3.8Å; M368-W402 HydrophobicContact CG-CZ2 3.69Å; M368-W402 HydrophobicContact CG-CZ3 4.29Å; M368-W402 HydrophobicContact SD-CH2 4.45Å
369	L	97	Very high	94.9	Very high	102 Å²	102	50.9 Å²	50.9	53%	0.534	27%	0.266	S	S	.	.	S	Bend	trans	-69.3	-19.6	177.9	-52.9	171.8	0	0	0	112.1	E393 W402 A404	L369-E393 WeakPolarHBondContact CA-OE2 3.38Å; L369-E393 WeakPolarHBondContact CB-OE2 3.41Å; L369-E393 HydrophobicContact CD1-CG 4.23Å; L369-E393 WeakPolarHBondContact CG-OE2 3.44Å; L369-E393 PolarHBondContact N-OE2 2.84Å; L369-W402 HydrophobicContact CD1-CB 4.37Å; L369-W402 HydrophobicContact CD2-CB 3.87Å; L369-W402 HydrophobicContact CG-CB 3.82Å; L369-A404 HydrophobicContact CD1-CB 3.74Å
370	K	94.3	Very high	94.9	Very high	99 Å²	99	47.7 Å²	47.7	43%	0.43	25%	0.247	S	C	.	.	S	Bend	trans	-143.9	134.1	177.9	-169.8	177.5	-179	178.8	0	111.9	M368 R372 D390 E393	M368-K370 PolarHBondContact O-N 2.79Å; K370-R372 PolarHBondContact O-NE 3.46Å; K370-D390 IonicContact NZ-OD2 2.69Å; K370-D390 PolarHBondContact NZ-OD2 2.75Å; K370-E393 PolarHBondContact N-OE1 2.8Å
371	A	93.9	Very high	94.7	Very high	31 Å²	31	49.6 Å²	49.6	26%	0.256	26%	0.257	S	S	.	.			trans	-69.1	136.1	171.8	0	0	0	0	0	111.7	L348 Y349 D350	L348-A371 HydrophobicContact CB-CB 3.88Å; Y349-A371 VanDerWaalsContact O-CA 3.29Å; Y349-A371 WeakPolarHBondContact O-CA 3.38Å; D350-A371 HydrophobicContact CB-CB 3.85Å
372	R	91.3	Very high	94.6	Very high	13 Å²	13	43.9 Å²	43.9	5%	0.049	23%	0.231	C	C	.	.			trans	-163.3	158.6	-170	55.2	174.9	91.5	-114.7	10.1	112.8	G342 Y349 M368 K370 H375 D390 S391 E393	G342-R372 PolarHBondContact N-O 2.7Å; Y349-R372 PolarHBondContact O-N 2.84Å; Y349-R372 VanDerWaalsContact O-N 3.08Å; M368-R372 HydrophobicContact CE-CG 3.66Å; M368-R372 HydrophobicContact SD-CG 4.27Å; K370-R372 PolarHBondContact O-NE 3.46Å; R372-H375 HydrophobicContact CG-CB 4.39Å; R372-D390 IonicContact NH1-OD1 3.96Å; R372-S391 VanDerWaalsContact CZ-OG 3.24Å; R372-S391 PolarHBondContact NH1-OG 2.9Å; R372-S391 PolarHBondContact NH2-OG 2.78Å; R372-E393 IonicContact CZ-OE1 3.86Å; R372-E393 IonicContact NH2-OE1 2.9Å; R372-E393 PolarHBondContact NH2-OE1 2.95Å
373	E	91.4	Very high	94.5	Very high	69 Å²	69	43.8 Å²	43.8	32%	0.322	23%	0.233	S	C	.	.	S	Bend	trans	-131.6	163.9	169.7	62.5	175.8	176.7	0	0	109.3	G327 S343 L348 H375	G327-E373 CarbonylContact O-C 3.58Å; G327-E373 WeakPolarHBondContact O-CA 3.44Å; S343-E373 WeakPolarHBondContact CB-OE2 3.43Å; S343-E373 PolarHBondContact OG-OE2 3.15Å; L348-E373 HydrophobicContact CD2-CB 4.08Å; L348-E373 HydrophobicContact CD2-CG 3.66Å; E373-H375 PolarHBondContact O-N 2.98Å; E373-H375 VanDerWaalsContact O-N 3.13Å
374	Y	89.2	Confident	94.5	Very high	142 Å²	142	42 Å²	42	56%	0.557	22%	0.218	S	C	*	.	S	Bend	trans	56.4	24.3	-179.5	-55.2	-64.4	0	0	0	114.5	G327	G327-Y374 PolarHBondContact O-N 2.99Å
375	H	93.3	Very high	94.6	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.046	19%	0.193	C	C	.	.			trans	-81.8	166.4	168.1	61.8	-78.3	0	0	0	111.1	T340 R372 E373 V386 A388	T340-H375 PolarHBondContact O-CE1 3.05Å; T340-H375 PolarHBondContact O-NE2 2.89Å; T340-H375 VanDerWaalsContact O-NE2 3.09Å; T340-H375 PolarHBondContact OG1-NE2 3.1Å; R372-H375 HydrophobicContact CG-CB 4.39Å; E373-H375 PolarHBondContact O-N 2.98Å; E373-H375 VanDerWaalsContact O-N 3.13Å; H375-V386 HydrophobicContact CB-CG1 4.16Å; H375-A388 HydrophobicContact CB-CB 4.03Å
376	S	94.4	Very high	94.6	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.5	176	-151.4	0	0	0	0	110.8	V387 T417	S376-V387 PolarHBondContact N-O 3.44Å; S376-V387 PolarHBondContact O-N 3.08Å; S376-T417 VanDerWaalsContact CB-OG1 3.25Å; S376-T417 WeakPolarHBondContact CB-OG1 3.26Å; S376-T417 PolarHBondContact OG-N 2.69Å; S376-T417 PolarHBondContact OG-OG1 3.31Å; S376-T417 VanDerWaalsContact OG-OG1 3.05Å
377	S	95.6	Very high	94.5	Very high	10 Å²	10	35.1 Å²	35.1	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.5	176.3	-59	0	0	0	0	111	S329 T340 Y385	S329-S377 WeakPolarHBondContact CB-OG 3.46Å; S329-S377 VanDerWaalsContact OG-CB 3.28Å; S329-S377 WeakPolarHBondContact OG-CB 3.31Å; S329-S377 PolarHBondContact OG-N 3.46Å; S329-S377 PolarHBondContact OG-OG 2.93Å; T340-S377 PolarHBondContact OG1-OG 3.03Å; S377-Y385 CarbonylContact C-O 3.43Å; S377-Y385 VanDerWaalsContact CA-O 3.26Å; S377-Y385 WeakPolarHBondContact CA-O 3.05Å
378	S	95.4	Very high	94.2	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.063	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153	176.9	-69.9	0	0	0	0	110.7	Y385 T417	S378-Y385 PolarHBondContact N-O 2.9Å; S378-Y385 PolarHBondContact O-N 3.1Å; S378-T417 PolarHBondContact OG-O 3.28Å; S378-T417 VanDerWaalsContact OG-O 3.09Å; S378-T417 PolarHBondContact OG-OG1 2.91Å
379	V	95.1	Very high	93.8	Very high	26 Å²	26	33.8 Å²	33.8	16%	0.158	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	178.8	167.5	0	0	0	0	109.8	V331 L333 L383 L384 A419	V331-V379 HydrophobicContact CG1-CG2 4.17Å; V331-V379 HydrophobicContact CG2-CB 4.34Å; V331-V379 HydrophobicContact CG2-CG2 3.61Å; L333-V379 HydrophobicContact CB-CG2 3.86Å; L333-V379 HydrophobicContact CD1-CB 4.43Å; L333-V379 HydrophobicContact CD1-CG1 3.55Å; L333-V379 HydrophobicContact CD1-CG2 3.93Å; L333-V379 HydrophobicContact CG-CG2 4.43Å; V379-L383 VanDerWaalsContact CA-O 3.32Å; V379-L383 WeakPolarHBondContact CA-O 3.3Å; V379-L384 HydrophobicContact CG2-CB 4.5Å; V379-A419 WeakPolarHBondContact O-CB 3.41Å
380	L	93.8	Very high	93.3	Very high	11 Å²	11	33.1 Å²	33.1	6%	0.058	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.8	174.8	175.9	64.7	0	0	0	109.5	G382 L383 Y385 A419 L424 P443	L380-G382 PolarHBondContact O-N 2.85Å; L380-G382 VanDerWaalsContact O-N 3.15Å; L380-L383 PolarHBondContact N-O 2.85Å; L380-L383 PolarHBondContact O-N 2.93Å; L380-Y385 HydrophobicContact CB-CD2 4.05Å; L380-Y385 HydrophobicContact CB-CE2 3.75Å; L380-Y385 HydrophobicContact CG-CE2 4.47Å; L380-A419 HydrophobicContact CB-CB 4.36Å; L380-A419 HydrophobicContact CD1-CB 4.38Å; L380-L424 HydrophobicContact CB-CD1 4.43Å; L380-L424 HydrophobicContact CB-CD2 4.13Å; L380-L424 HydrophobicContact CB-CG 4.14Å; L380-L424 HydrophobicContact CD2-CD1 4.24Å; L380-L424 HydrophobicContact CD2-CG 3.8Å; L380-P443 HydrophobicContact CD2-CB 4.22Å; L380-P443 HydrophobicContact CD2-CG 3.91Å
381	D	90.8	Very high	93.2	Very high	90 Å²	90	29.4 Å²	29.4	48%	0.481	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	39.4	-178.9	-163	28.7	0	0	0	114.4	R264 L383	R264-D381 WeakPolarHBondContact CB-OD1 3.27Å; D381-L383 VanDerWaalsContact C-N 3.27Å; D381-L383 PolarHBondContact O-N 2.63Å
382	G	92.3	Very high	93.3	Very high	5 Å²	5	28 Å²	28	5%	0.052	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	12.5	178.5	0	0	0	0	0	114.7	A263 L333 L380 H397	A263-G382 WeakPolarHBondContact O-CA 2.93Å; A263-G382 PolarHBondContact O-N 3.49Å; L333-G382 WeakPolarHBondContact CD1-O 3.49Å; L380-G382 PolarHBondContact O-N 2.85Å; L380-G382 VanDerWaalsContact O-N 3.15Å; G382-H397 PolarHBondContact O-CD2 3.28Å
383	L	95.3	Very high	93.6	Very high	31 Å²	31	27.7 Å²	27.7	16%	0.162	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.7	174.5	-59.2	169.1	0	0	0	109.1	V379 L380 D381 Y385 D396	V379-L383 VanDerWaalsContact CA-O 3.32Å; V379-L383 WeakPolarHBondContact CA-O 3.3Å; L380-L383 PolarHBondContact N-O 2.85Å; L380-L383 PolarHBondContact O-N 2.93Å; D381-L383 VanDerWaalsContact C-N 3.27Å; D381-L383 PolarHBondContact O-N 2.63Å; L383-Y385 HydrophobicContact CB-CD2 4.37Å; L383-Y385 HydrophobicContact CB-CE2 3.75Å; L383-Y385 WeakPolarHBondContact O-CD2 3.49Å; L383-D396 HydrophobicContact CD2-CB 3.76Å
384	L	96.9	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.8	174.9	179.8	164.4	0	0	0	108.2	V331 L333 Y338 T340 V379 V386 R394 Y395 W402	V331-L384 HydrophobicContact CG1-CD1 3.51Å; V331-L384 HydrophobicContact CG1-CG 3.84Å; L333-L384 HydrophobicContact CD2-CB 4.26Å; Y338-L384 HydrophobicContact CD1-CD1 4.1Å; Y338-L384 HydrophobicContact CD2-CD1 4.42Å; Y338-L384 HydrophobicContact CG-CD1 3.77Å; T340-L384 HydrophobicContact CG2-CD1 4.43Å; T340-L384 HydrophobicContact CG2-CD2 4.36Å; V379-L384 HydrophobicContact CG2-CB 4.5Å; L384-V386 HydrophobicContact CD2-CG2 3.7Å; L384-R394 CarbonylContact O-C 3.58Å; L384-R394 VanDerWaalsContact O-CA 3.26Å; L384-R394 WeakPolarHBondContact O-CA 3.36Å; L384-Y395 HydrophobicContact CB-CD1 4.27Å; L384-Y395 PolarHBondContact N-O 2.84Å; L384-Y395 VanDerWaalsContact N-O 3.14Å; L384-Y395 PolarHBondContact O-N 3.05Å; L384-W402 HydrophobicContact CD2-CH2 3.58Å; L384-W402 HydrophobicContact CD2-CZ2 4.46Å; L384-W402 HydrophobicContact CD2-CZ3 4.17Å
385	Y	97.1	Very high	94.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.5	176.4	-70.9	-104.6	0	0	0	109.6	S377 S378 L380 L383 E393 R394 L405 L424 Y441	S377-Y385 CarbonylContact C-O 3.43Å; S377-Y385 VanDerWaalsContact CA-O 3.26Å; S377-Y385 WeakPolarHBondContact CA-O 3.05Å; S378-Y385 PolarHBondContact N-O 2.9Å; S378-Y385 PolarHBondContact O-N 3.1Å; L380-Y385 HydrophobicContact CB-CD2 4.05Å; L380-Y385 HydrophobicContact CB-CE2 3.75Å; L380-Y385 HydrophobicContact CG-CE2 4.47Å; L383-Y385 HydrophobicContact CB-CD2 4.37Å; L383-Y385 HydrophobicContact CB-CE2 3.75Å; L383-Y385 WeakPolarHBondContact O-CD2 3.49Å; Y385-E393 WeakPolarHBondContact CA-O 3.43Å; Y385-R394 HydrophobicContact CD1-CB 3.95Å; Y385-R394 HydrophobicContact CE1-CB 3.91Å; Y385-R394 HydrophobicContact CG-CB 4.35Å; Y385-L405 HydrophobicContact CD1-CD1 3.83Å; Y385-L405 HydrophobicContact CE1-CD1 3.5Å; Y385-L424 HydrophobicContact CD1-CD1 3.43Å; Y385-L424 VanDerWaalsContact CD1-CD1 3.43Å; Y385-L424 HydrophobicContact CD2-CD1 3.75Å; Y385-L424 HydrophobicContact CE1-CD1 3.93Å; Y385-L424 HydrophobicContact CE2-CD1 4.23Å; Y385-L424 HydrophobicContact CG-CD1 3.32Å; Y385-Y441 HydrophobicContact CD1-CE1 4.44Å; Y385-Y441 HydrophobicContact CE1-CD1 4.41Å; Y385-Y441 AromaticContact CE1-CE1 3.72Å; Y385-Y441 HydrophobicContact CE1-CE1 3.72Å
386	V	96.9	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.6	169.5	169.1	0	0	0	0	107.6	T340 M368 H375 L384 E393 W402	T340-V386 HydrophobicContact CG2-CG2 4.23Å; M368-V386 HydrophobicContact SD-CG1 4.07Å; M368-V386 HydrophobicContact SD-CG2 4.02Å; H375-V386 HydrophobicContact CB-CG1 4.16Å; L384-V386 HydrophobicContact CD2-CG2 3.7Å; V386-E393 PolarHBondContact N-O 2.96Å; V386-E393 PolarHBondContact O-N 3.02Å; V386-W402 HydrophobicContact CB-CH2 4.39Å; V386-W402 HydrophobicContact CB-CZ3 4.07Å; V386-W402 HydrophobicContact CG2-CH2 3.57Å; V386-W402 HydrophobicContact CG2-CZ3 3.73Å
387	V	95.5	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.6	-179.3	-174.4	0	0	0	0	108.6	S376 T392 M408 T417 A426 W448	S376-V387 PolarHBondContact N-O 3.44Å; S376-V387 PolarHBondContact O-N 3.08Å; V387-T392 HydrophobicContact CG2-CG2 4.23Å; V387-M408 HydrophobicContact CG1-CE 4.07Å; V387-M408 HydrophobicContact CG1-CG 4.24Å; V387-M408 HydrophobicContact CG1-SD 4.05Å; V387-T417 HydrophobicContact CB-CG2 3.75Å; V387-T417 HydrophobicContact CG1-CG2 4.03Å; V387-T417 HydrophobicContact CG2-CG2 3.95Å; V387-A426 HydrophobicContact CG1-CB 4.49Å; V387-W448 HydrophobicContact CG1-CH2 3.88Å; V387-W448 HydrophobicContact CG1-CZ2 3.84Å; V387-W448 HydrophobicContact CG2-CH2 4.22Å; V387-W448 HydrophobicContact CG2-CZ2 4.12Å
388	A	92.3	Very high	94.3	Very high	10 Å²	10	29.2 Å²	29.2	8%	0.083	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	171.2	174.9	0	0	0	0	0	110.2	H375 D390 S391 M408	H375-A388 HydrophobicContact CB-CB 4.03Å; A388-D390 PolarHBondContact O-N 2.81Å; A388-D390 VanDerWaalsContact O-N 3.08Å; A388-S391 PolarHBondContact N-O 3.48Å; A388-S391 PolarHBondContact O-N 3.24Å; A388-M408 WeakPolarHBondContact O-CE 3.36Å
389	A	87.6	Confident	94.3	Very high	33 Å²	33	32.8 Å²	32.8	27%	0.273	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.4	-176.7	0	0	0	0	0	114.2	P411 L412	A389-P411 HydrophobicContact CB-CB 4.35Å; A389-P411 WeakPolarHBondContact O-CA 3.39Å; A389-P411 VanDerWaalsContact O-CB 3.26Å; A389-P411 WeakPolarHBondContact O-CB 3.32Å; A389-L412 WeakPolarHBondContact CB-O 3.38Å
390	D	86.9	Confident	94.4	Very high	87 Å²	87	35.4 Å²	35.4	47%	0.465	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-4.6	-169.3	65.8	-18.1	0	0	0	114.8	K370 R372 A388	K370-D390 IonicContact NZ-OD2 2.69Å; K370-D390 PolarHBondContact NZ-OD2 2.75Å; R372-D390 IonicContact NH1-OD1 3.96Å; A388-D390 PolarHBondContact O-N 2.81Å; A388-D390 VanDerWaalsContact O-N 3.08Å
391	S	92.7	Very high	94.6	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.154	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	151.6	-174.8	58	0	0	0	0	112.1	R372 A388	R372-S391 VanDerWaalsContact CZ-OG 3.24Å; R372-S391 PolarHBondContact NH1-OG 2.9Å; R372-S391 PolarHBondContact NH2-OG 2.78Å; A388-S391 PolarHBondContact N-O 3.48Å; A388-S391 PolarHBondContact O-N 3.24Å
392	T	96.1	Very high	94.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.2	167.4	-49.4	0	0	0	0	107.9	V387 L405 Q406 W448	V387-T392 HydrophobicContact CG2-CG2 4.23Å; T392-L405 HydrophobicContact CG2-CB 4.07Å; T392-L405 HydrophobicContact CG2-CD1 4.14Å; T392-L405 PolarHBondContact O-N 2.99Å; T392-Q406 WeakPolarHBondContact CB-O 3.25Å; T392-Q406 PolarHBondContact OG1-O 3.01Å; T392-W448 HydrophobicContact CG2-CZ2 4.19Å; T392-W448 PolarHBondContact OG1-NE1 2.85Å; T392-W448 VanDerWaalsContact OG1-NE1 3.15Å
393	E	97.1	Very high	95.2	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.028	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149	176.3	-53.8	-178	-153	0	0	109.8	L369 K370 R372 Y385 V386 W402 E403	L369-E393 WeakPolarHBondContact CA-OE2 3.38Å; L369-E393 WeakPolarHBondContact CB-OE2 3.41Å; L369-E393 HydrophobicContact CD1-CG 4.23Å; L369-E393 WeakPolarHBondContact CG-OE2 3.44Å; L369-E393 PolarHBondContact N-OE2 2.84Å; K370-E393 PolarHBondContact N-OE1 2.8Å; R372-E393 IonicContact CZ-OE1 3.86Å; R372-E393 IonicContact NH2-OE1 2.9Å; R372-E393 PolarHBondContact NH2-OE1 2.95Å; Y385-E393 WeakPolarHBondContact CA-O 3.43Å; V386-E393 PolarHBondContact N-O 2.96Å; V386-E393 PolarHBondContact O-N 3.02Å; E393-W402 HydrophobicContact CB-CE3 3.81Å; E393-W402 HydrophobicContact CB-CZ3 4.09Å; E393-E403 CarbonylContact C-O 3.57Å; E393-E403 WeakPolarHBondContact CA-O 3.28Å
394	R	97.4	Very high	95.3	Very high	59 Å²	59	40.5 Å²	40.5	22%	0.223	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.9	170.6	70	170.1	174.9	-142.4	-3.5	111.9	L384 Y385 W402 E403 L405	L384-R394 CarbonylContact O-C 3.58Å; L384-R394 VanDerWaalsContact O-CA 3.26Å; L384-R394 WeakPolarHBondContact O-CA 3.36Å; Y385-R394 HydrophobicContact CD1-CB 3.95Å; Y385-R394 HydrophobicContact CE1-CB 3.91Å; Y385-R394 HydrophobicContact CG-CB 4.35Å; R394-W402 CarbonylContact O-C 3.57Å; R394-W402 VanDerWaalsContact O-CA 3.31Å; R394-W402 WeakPolarHBondContact O-CA 3.3Å; R394-E403 HydrophobicContact CG-CB 3.98Å; R394-E403 IonicContact CZ-OE1 2.94Å; R394-E403 IonicContact CZ-OE2 3.24Å; R394-E403 PolarHBondContact N-O 2.81Å; R394-E403 IonicContact NE-OE2 3.57Å; R394-E403 PolarHBondContact NE-OE2 2.82Å; R394-E403 IonicContact NH2-OE1 3.25Å; R394-E403 PolarHBondContact NH2-OE1 3.25Å; R394-E403 IonicContact NH2-OE2 3.53Å; R394-E403 PolarHBondContact NH2-OE2 2.89Å; R394-E403 PolarHBondContact O-N 2.69Å; R394-L405 HydrophobicContact CB-CD1 3.76Å; R394-L405 HydrophobicContact CG-CD1 3.82Å; R394-L405 HydrophobicContact CG-CD2 4.37Å; R394-L405 HydrophobicContact CG-CG 4.19Å
395	Y	97.9	Very high	95.3	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	176.3	173.8	-108.6	0	0	0	110.6	Y338 A366 L384 H397 D400 W402	Y338-Y395 HydrophobicContact CD1-CE1 4.35Å; Y338-Y395 HydrophobicContact CE1-CD1 4.43Å; Y338-Y395 AromaticContact CE1-CE1 3.68Å; Y338-Y395 HydrophobicContact CE1-CE1 3.68Å; A366-Y395 HydrophobicContact CB-CE2 4.26Å; L384-Y395 HydrophobicContact CB-CD1 4.27Å; L384-Y395 PolarHBondContact N-O 2.84Å; L384-Y395 VanDerWaalsContact N-O 3.14Å; L384-Y395 PolarHBondContact O-N 3.05Å; Y395-H397 HydrophobicContact CD1-CB 4.46Å; Y395-H397 HydrophobicContact CE1-CB 3.78Å; Y395-D400 PolarHBondContact OH-OD1 3.24Å; Y395-W402 AromaticContact CD2-CD1 3.76Å; Y395-W402 HydrophobicContact CD2-CD2 4.07Å; Y395-W402 AromaticContact CD2-CE2 3.6Å; Y395-W402 HydrophobicContact CD2-CG 4.15Å; Y395-W402 HydrophobicContact CD2-CZ2 4.08Å; Y395-W402 AromaticContact CD2-NE1 3.4Å; Y395-W402 HydrophobicContact CG-CD2 4.31Å; Y395-W402 AromaticContact CG-CE2 3.84Å; Y395-W402 HydrophobicContact CG-CH2 4.43Å; Y395-W402 AromaticContact CG-CZ2 3.88Å; Y395-W402 HydrophobicContact CG-CZ2 3.88Å
396	D	96.1	Very high	95.3	Very high	50 Å²	50	45.6 Å²	45.6	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111	170.9	-173.7	-22.3	0	0	0	109.6	L383 T398 T399 D400 S401	L383-D396 HydrophobicContact CD2-CB 3.76Å; D396-T398 VanDerWaalsContact CG-OG1 3.31Å; D396-T398 PolarHBondContact O-N 3.43Å; D396-T398 WeakPolarHBondContact OD1-CA 3.07Å; D396-T398 VanDerWaalsContact OD1-CB 3.29Å; D396-T398 WeakPolarHBondContact OD1-CB 3.16Å; D396-T398 PolarHBondContact OD1-N 2.92Å; D396-T398 PolarHBondContact OD1-OG1 3.4Å; D396-T398 PolarHBondContact OD2-OG1 2.92Å; D396-T399 WeakPolarHBondContact CB-OG1 3.5Å; D396-T399 PolarHBondContact O-N 2.92Å; D396-D400 WeakPolarHBondContact O-CA 3.38Å; D396-D400 PolarHBondContact O-N 3.25Å; D396-S401 PolarHBondContact N-O 3.21Å; D396-S401 VanDerWaalsContact N-O 3.09Å; D396-S401 PolarHBondContact O-N 2.91Å
397	H	94.1	Very high	95.1	Very high	66 Å²	66	48.3 Å²	48.3	31%	0.306	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.9	-179	79.4	81.7	0	0	0	113.9	L333 G382 Y395	L333-H397 HydrophobicContact CD2-CB 3.94Å; G382-H397 PolarHBondContact O-CD2 3.28Å; Y395-H397 HydrophobicContact CD1-CB 4.46Å; Y395-H397 HydrophobicContact CE1-CB 3.78Å
398	T	93.3	Very high	95	Very high	102 Å²	102	48.7 Å²	48.7	63%	0.626	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-32.7	179.5	70.5	0	0	0	0	112.1	D396	D396-T398 VanDerWaalsContact CG-OG1 3.31Å; D396-T398 PolarHBondContact O-N 3.43Å; D396-T398 WeakPolarHBondContact OD1-CA 3.07Å; D396-T398 VanDerWaalsContact OD1-CB 3.29Å; D396-T398 WeakPolarHBondContact OD1-CB 3.16Å; D396-T398 PolarHBondContact OD1-N 2.92Å; D396-T398 PolarHBondContact OD1-OG1 3.4Å; D396-T398 PolarHBondContact OD2-OG1 2.92Å
399	T	95.5	Very high	95	Very high	85 Å²	85	51.8 Å²	51.8	52%	0.521	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.4	176.6	56.5	0	0	0	0	113.1	D396 S401	D396-T399 WeakPolarHBondContact CB-OG1 3.5Å; D396-T399 PolarHBondContact O-N 2.92Å; T399-S401 PolarHBondContact OG1-OG 2.85Å
400	D	96.9	Very high	95.1	Very high	81 Å²	81	56 Å²	56	43%	0.433	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	54.2	-176.3	-169.4	24.3	0	0	0	111.1	A366 Y395 D396	A366-D400 VanDerWaalsContact CB-O 3.3Å; A366-D400 WeakPolarHBondContact CB-O 3.39Å; A366-D400 VanDerWaalsContact CB-OD1 3.29Å; A366-D400 WeakPolarHBondContact CB-OD1 3.35Å; A366-D400 PolarHBondContact N-OD1 2.8Å; Y395-D400 PolarHBondContact OH-OD1 3.24Å; D396-D400 WeakPolarHBondContact O-CA 3.38Å; D396-D400 PolarHBondContact O-N 3.25Å
401	S	97.7	Very high	95.3	Very high	54 Å²	54	54.8 Å²	54.8	38%	0.378	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.3	-173.9	65	0	0	0	0	112.9	D396 T399	D396-S401 PolarHBondContact N-O 3.21Å; D396-S401 VanDerWaalsContact N-O 3.09Å; D396-S401 PolarHBondContact O-N 2.91Å; T399-S401 PolarHBondContact OG1-OG 2.85Å
402	W	98.2	Very high	95.2	Very high	28 Å²	28	53.8 Å²	53.8	11%	0.106	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.7	175.2	-69.6	85.7	0	0	0	112.6	V352 A366 P367 M368 L369 L384 V386 E393 R394 Y395	V352-W402 HydrophobicContact CG1-CZ2 4.45Å; V352-W402 HydrophobicContact CG2-CZ2 3.71Å; A366-W402 PolarHBondContact O-NE1 3.01Å; P367-W402 PolarHBondContact O-NE1 2.76Å; M368-W402 HydrophobicContact CG-CH2 3.8Å; M368-W402 HydrophobicContact CG-CZ2 3.69Å; M368-W402 HydrophobicContact CG-CZ3 4.29Å; M368-W402 HydrophobicContact SD-CH2 4.45Å; L369-W402 HydrophobicContact CD1-CB 4.37Å; L369-W402 HydrophobicContact CD2-CB 3.87Å; L369-W402 HydrophobicContact CG-CB 3.82Å; L384-W402 HydrophobicContact CD2-CH2 3.58Å; L384-W402 HydrophobicContact CD2-CZ2 4.46Å; L384-W402 HydrophobicContact CD2-CZ3 4.17Å; V386-W402 HydrophobicContact CB-CH2 4.39Å; V386-W402 HydrophobicContact CB-CZ3 4.07Å; V386-W402 HydrophobicContact CG2-CH2 3.57Å; V386-W402 HydrophobicContact CG2-CZ3 3.73Å; E393-W402 HydrophobicContact CB-CE3 3.81Å; E393-W402 HydrophobicContact CB-CZ3 4.09Å; R394-W402 CarbonylContact O-C 3.57Å; R394-W402 VanDerWaalsContact O-CA 3.31Å; R394-W402 WeakPolarHBondContact O-CA 3.3Å; Y395-W402 AromaticContact CD2-CD1 3.76Å; Y395-W402 HydrophobicContact CD2-CD2 4.07Å; Y395-W402 AromaticContact CD2-CE2 3.6Å; Y395-W402 HydrophobicContact CD2-CG 4.15Å; Y395-W402 HydrophobicContact CD2-CZ2 4.08Å; Y395-W402 AromaticContact CD2-NE1 3.4Å; Y395-W402 HydrophobicContact CG-CD2 4.31Å; Y395-W402 AromaticContact CG-CE2 3.84Å; Y395-W402 HydrophobicContact CG-CH2 4.43Å; Y395-W402 AromaticContact CG-CZ2 3.88Å; Y395-W402 HydrophobicContact CG-CZ2 3.88Å
403	E	97.6	Very high	94.6	Very high	92 Å²	92	57.1 Å²	57.1	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.6	175.8	-177.3	-179.6	174.6	0	0	110.1	E393 R394	E393-E403 CarbonylContact C-O 3.57Å; E393-E403 WeakPolarHBondContact CA-O 3.28Å; R394-E403 HydrophobicContact CG-CB 3.98Å; R394-E403 IonicContact CZ-OE1 2.94Å; R394-E403 IonicContact CZ-OE2 3.24Å; R394-E403 PolarHBondContact N-O 2.81Å; R394-E403 IonicContact NE-OE2 3.57Å; R394-E403 PolarHBondContact NE-OE2 2.82Å; R394-E403 IonicContact NH2-OE1 3.25Å; R394-E403 PolarHBondContact NH2-OE1 3.25Å; R394-E403 IonicContact NH2-OE2 3.53Å; R394-E403 PolarHBondContact NH2-OE2 2.89Å; R394-E403 PolarHBondContact O-N 2.69Å
404	A	97.7	Very high	93.8	Very high	69 Å²	69	62 Å²	62	57%	0.57	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	134.1	174.2	0	0	0	0	0	110.3	L369	L369-A404 HydrophobicContact CD1-CB 3.74Å
405	L	97.3	Very high	93.3	Very high	15 Å²	15	59.9 Å²	59.9	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	176.4	-179.9	-63.1	175.1	0	0	0	110.3	Y385 T392 R394 Y441 D446	Y385-L405 HydrophobicContact CD1-CD1 3.83Å; Y385-L405 HydrophobicContact CE1-CD1 3.5Å; T392-L405 HydrophobicContact CG2-CB 4.07Å; T392-L405 HydrophobicContact CG2-CD1 4.14Å; T392-L405 PolarHBondContact O-N 2.99Å; R394-L405 HydrophobicContact CB-CD1 3.76Å; R394-L405 HydrophobicContact CG-CD1 3.82Å; R394-L405 HydrophobicContact CG-CD2 4.37Å; R394-L405 HydrophobicContact CG-CG 4.19Å; L405-Y441 HydrophobicContact CD1-CE1 4.48Å; L405-Y441 WeakPolarHBondContact CD1-OH 3.31Å; L405-D446 WeakPolarHBondContact CB-OD1 3.48Å
406	Q	95.8	Very high	93.1	Very high	96 Å²	96	60.7 Å²	60.7	45%	0.449	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-60.8	131.2	174.9	-70.1	-57.1	-47.4	0	0	111.1	T392 D446 L447 W448	T392-Q406 WeakPolarHBondContact CB-O 3.25Å; T392-Q406 PolarHBondContact OG1-O 3.01Å; Q406-D446 WeakPolarHBondContact CB-O 3.49Å; Q406-D446 WeakPolarHBondContact CG-O 3.33Å; Q406-D446 PolarHBondContact N-OD1 3.05Å; Q406-L447 HydrophobicContact CG-CD2 4.46Å; Q406-W448 VanDerWaalsContact O-CD1 3.24Å; Q406-W448 PolarHBondContact O-NE1 2.99Å
407	P	94.2	Very high	93	Very high	57 Å²	57	58.6 Å²	58.6	37%	0.37	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-66.6	162.4	171	30.3	-34.8	0	0	0	110.4	T409 W448	P407-T409 PolarHBondContact O-N 2.95Å; P407-W448 VanDerWaalsContact C-CD1 3.49Å
408	M	93.6	Very high	93.1	Very high	8 Å²	8	56 Å²	56	4%	0.039	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-54.5	140.1	172.6	-70.1	-173.2	-76.7	0	0	111.2	V387 A388 Y410 L412 A426 W448	V387-M408 HydrophobicContact CG1-CE 4.07Å; V387-M408 HydrophobicContact CG1-CG 4.24Å; V387-M408 HydrophobicContact CG1-SD 4.05Å; A388-M408 WeakPolarHBondContact O-CE 3.36Å; M408-Y410 WeakPolarHBondContact CB-O 3.28Å; M408-Y410 PolarHBondContact O-N 2.98Å; M408-L412 HydrophobicContact CE-CB 4.01Å; M408-L412 HydrophobicContact CE-CD1 4.42Å; M408-L412 HydrophobicContact CE-CG 4.09Å; M408-L412 HydrophobicContact SD-CB 4.35Å; M408-L412 HydrophobicContact SD-CD1 3.69Å; M408-L412 HydrophobicContact SD-CG 3.82Å; M408-A426 HydrophobicContact SD-CB 3.75Å; M408-W448 HydrophobicContact CB-CD2 4.43Å; M408-W448 HydrophobicContact CG-CD2 3.83Å; M408-W448 HydrophobicContact CG-CE3 4.03Å; M408-W448 HydrophobicContact CG-CG 4.41Å; M408-W448 HydrophobicContact CG-CH2 4.12Å; M408-W448 HydrophobicContact CG-CZ2 3.92Å; M408-W448 HydrophobicContact CG-CZ3 4.17Å
409	T	92.1	Very high	93.1	Very high	76 Å²	76	51.3 Å²	51.3	47%	0.466	29%	0.288	S	S	.	.	S	Bend	trans	-56.9	-37.5	178.2	-54.5	0	0	0	0	111.6	P407 W448	P407-T409 PolarHBondContact O-N 2.95Å; T409-W448 WeakPolarHBondContact OG1-CB 3.31Å; T409-W448 PolarHBondContact OG1-O 2.81Å; T409-W448 VanDerWaalsContact OG1-O 3.05Å
410	Y	90.1	Very high	93.1	Very high	120 Å²	120	47.3 Å²	47.3	47%	0.471	26%	0.264	S	S	.	.	S	Bend	trans	-123.5	123.2	171.7	-56.3	-74.3	0	0	0	109.5	M408 L412 L430 Q439	M408-Y410 WeakPolarHBondContact CB-O 3.28Å; M408-Y410 PolarHBondContact O-N 2.98Å; Y410-L412 PolarHBondContact O-N 2.96Å; Y410-L430 VanDerWaalsContact CB-CD2 3.47Å; Y410-L430 HydrophobicContact CG-CD2 4.06Å; Y410-Q439 PolarHBondContact O-NE2 2.58Å
411	P	90.4	Very high	92.8	Very high	62 Å²	62	49.7 Å²	49.7	40%	0.403	27%	0.266	S	S	.	.			trans	-56.6	136	173.5	-27.7	36.5	0	0	0	111.5	A389 A431	A389-P411 HydrophobicContact CB-CB 4.35Å; A389-P411 WeakPolarHBondContact O-CA 3.39Å; A389-P411 VanDerWaalsContact O-CB 3.26Å; A389-P411 WeakPolarHBondContact O-CB 3.32Å; P411-A431 HydrophobicContact CB-CB 3.9Å; P411-A431 WeakPolarHBondContact O-CB 3.16Å; P411-A431 PolarHBondContact O-N 3.42Å
412	L	89.5	Confident	92.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.9	178.2	-56.1	-178.2	0	0	0	111.1	A389 M408 Y410 C415 A426 S429 L430 V437	A389-L412 WeakPolarHBondContact CB-O 3.38Å; M408-L412 HydrophobicContact CE-CB 4.01Å; M408-L412 HydrophobicContact CE-CD1 4.42Å; M408-L412 HydrophobicContact CE-CG 4.09Å; M408-L412 HydrophobicContact SD-CB 4.35Å; M408-L412 HydrophobicContact SD-CD1 3.69Å; M408-L412 HydrophobicContact SD-CG 3.82Å; Y410-L412 PolarHBondContact O-N 2.96Å; L412-C415 HydrophobicContact CB-CB 4.15Å; L412-A426 HydrophobicContact CD1-CB 4.23Å; L412-S429 CarbonylContact C-O 3.49Å; L412-S429 WeakPolarHBondContact CA-O 3.15Å; L412-L430 HydrophobicContact CD2-CD2 4.07Å; L412-V437 HydrophobicContact CD2-CG2 3.36Å
413	D	84.8	Confident	92.4	Very high	71 Å²	71	52.6 Å²	52.6	38%	0.38	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142	168.6	-63.2	-24.9	0	0	0	109.4	C415 S429 A431 G432	D413-C415 PolarHBondContact O-N 2.75Å; D413-S429 PolarHBondContact N-O 3.14Å; D413-S429 PolarHBondContact O-N 2.88Å; D413-A431 WeakPolarHBondContact OD2-CA 3.37Å; D413-G432 PolarHBondContact OD2-N 3.41Å
414	N	79.3	Confident	92.3	Very high	108 Å²	108	48.2 Å²	48.2	58%	0.578	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.3	53.9	-179.7	-62.3	-23.4	0	0	0	112.9	A462	N414-A462 HydrophobicContact CB-CB 4.38Å; N414-A462 WeakPolarHBondContact O-CB 3.28Å
415	C	87.9	Confident	92.2	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.095	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.1	-174.3	65.4	0	0	0	0	113.2	L412 D413 I427	L412-C415 HydrophobicContact CB-CB 4.15Å; D413-C415 PolarHBondContact O-N 2.75Å; C415-I427 CarbonylContact C-O 3.6Å; C415-I427 VanDerWaalsContact CA-O 3.31Å; C415-I427 WeakPolarHBondContact CA-O 3.44Å
416	S	92.6	Very high	92.1	Very high	18 Å²	18	45 Å²	45	13%	0.126	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.5	164.3	-176.7	0	0	0	0	109.5	I427 P463 T465	S416-I427 PolarHBondContact N-O 3.09Å; S416-I427 PolarHBondContact O-N 2.93Å; S416-P463 VanDerWaalsContact CB-O 3.25Å; S416-P463 WeakPolarHBondContact CB-O 3.4Å; S416-T465 PolarHBondContact OG-N 3.08Å; S416-T465 VanDerWaalsContact OG-N 3.08Å; S416-T465 PolarHBondContact OG-OG1 3.09Å
417	T	94.9	Very high	92	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.7	176.4	60.5	0	0	0	0	113.2	S376 S378 V387 Y425 A426	S376-T417 VanDerWaalsContact CB-OG1 3.25Å; S376-T417 WeakPolarHBondContact CB-OG1 3.26Å; S376-T417 PolarHBondContact OG-N 2.69Å; S376-T417 PolarHBondContact OG-OG1 3.31Å; S376-T417 VanDerWaalsContact OG-OG1 3.05Å; S378-T417 PolarHBondContact OG-O 3.28Å; S378-T417 VanDerWaalsContact OG-O 3.09Å; S378-T417 PolarHBondContact OG-OG1 2.91Å; V387-T417 HydrophobicContact CB-CG2 3.75Å; V387-T417 HydrophobicContact CG1-CG2 4.03Å; V387-T417 HydrophobicContact CG2-CG2 3.95Å; T417-Y425 WeakPolarHBondContact CA-O 3.34Å; T417-Y425 WeakPolarHBondContact CB-O 3.25Å; T417-A426 HydrophobicContact CG2-CB 3.8Å
418	T	95.1	Very high	91.9	Very high	10 Å²	10	37.8 Å²	37.8	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.7	169.1	-173.2	0	0	0	0	110.8	Y425 T467 M472	T418-Y425 PolarHBondContact N-O 3.05Å; T418-Y425 PolarHBondContact O-N 3.34Å; T418-T467 PolarHBondContact OG1-N 2.88Å; T418-T467 VanDerWaalsContact OG1-N 3.1Å; T418-T467 PolarHBondContact OG1-OG1 3.05Å; T418-M472 HydrophobicContact CG2-CE 3.67Å; T418-M472 HydrophobicContact CG2-CG 4.14Å
419	A	94.8	Very high	91.7	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.9	171	0	0	0	0	0	109.8	V379 L380 R423 L424 T467	V379-A419 WeakPolarHBondContact O-CB 3.41Å; L380-A419 HydrophobicContact CB-CB 4.36Å; L380-A419 HydrophobicContact CD1-CB 4.38Å; A419-R423 CarbonylContact C-O 3.57Å; A419-R423 WeakPolarHBondContact CA-O 3.21Å; A419-L424 HydrophobicContact CB-CD2 3.87Å; A419-T467 WeakPolarHBondContact O-CB 3.21Å; A419-T467 WeakPolarHBondContact O-CG2 3.41Å; A419-T467 PolarHBondContact O-OG1 3.27Å
420	C	94.6	Very high	91.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131.6	177.7	-163.9	0	0	0	0	109.6	G422 R423 Y425 T467 M472	C420-G422 PolarHBondContact O-N 2.93Å; C420-G422 VanDerWaalsContact O-N 3.14Å; C420-R423 PolarHBondContact N-O 2.94Å; C420-R423 PolarHBondContact O-N 2.86Å; C420-Y425 HydrophobicContact CB-CD2 3.95Å; C420-Y425 HydrophobicContact CB-CE2 3.84Å; C420-T467 HydrophobicContact CB-CG2 4.06Å; C420-T467 WeakPolarHBondContact CB-OG1 3.07Å; C420-M472 HydrophobicContact CB-CG 3.86Å; C420-M472 HydrophobicContact CB-SD 4.15Å
421	R	91.4	Very high	91.1	Very high	131 Å²	131	32.7 Å²	32.7	49%	0.494	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.4	176.3	-58.5	-60.5	-174.5	147.8	-7.2	114.3	D269 P487	D269-R421 PolarHBondContact OD1-N 2.85Å; D269-R421 WeakPolarHBondContact OD2-CA 3.34Å; D269-R421 PolarHBondContact OD2-N 3.21Å; R421-P487 HydrophobicContact CG-CG 4.37Å
422	G	91.5	Very high	90.5	Very high	40 Å²	40	33.5 Å²	33.5	41%	0.412	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	12.4	177.4	0	0	0	0	0	114.9	C420	C420-G422 PolarHBondContact O-N 2.93Å; C420-G422 VanDerWaalsContact O-N 3.14Å
423	R	94.7	Very high	90.1	Very high	103 Å²	103	39.9 Å²	39.9	39%	0.389	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.4	179.2	-65.9	178.9	167.9	-162.9	-11.2	110.6	A419 C420 Y425 D442	A419-R423 CarbonylContact C-O 3.57Å; A419-R423 WeakPolarHBondContact CA-O 3.21Å; C420-R423 PolarHBondContact N-O 2.94Å; C420-R423 PolarHBondContact O-N 2.86Å; R423-Y425 HydrophobicContact CB-CE2 3.92Å; R423-D442 IonicContact CZ-OD2 2.74Å; R423-D442 IonicContact NE-OD2 3.84Å; R423-D442 IonicContact NH2-OD2 3.15Å; R423-D442 PolarHBondContact NH2-OD2 3.28Å
424	L	95.8	Very high	89.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.5	171.5	-73.3	167	0	0	0	109.5	L380 Y385 A419 C440 Y441	L380-L424 HydrophobicContact CB-CD1 4.43Å; L380-L424 HydrophobicContact CB-CD2 4.13Å; L380-L424 HydrophobicContact CB-CG 4.14Å; L380-L424 HydrophobicContact CD2-CD1 4.24Å; L380-L424 HydrophobicContact CD2-CG 3.8Å; Y385-L424 HydrophobicContact CD1-CD1 3.43Å; Y385-L424 VanDerWaalsContact CD1-CD1 3.43Å; Y385-L424 HydrophobicContact CD2-CD1 3.75Å; Y385-L424 HydrophobicContact CE1-CD1 3.93Å; Y385-L424 HydrophobicContact CE2-CD1 4.23Å; Y385-L424 HydrophobicContact CG-CD1 3.32Å; A419-L424 HydrophobicContact CB-CD2 3.87Å; L424-C440 CarbonylContact O-C 3.52Å; L424-C440 VanDerWaalsContact O-CA 3.3Å; L424-C440 WeakPolarHBondContact O-CA 3.31Å; L424-Y441 HydrophobicContact CB-CD1 4.42Å; L424-Y441 HydrophobicContact CD1-CD1 4.06Å; L424-Y441 PolarHBondContact N-O 2.82Å; L424-Y441 PolarHBondContact O-N 3.48Å
425	Y	95.9	Very high	90.1	Very high	17 Å²	17	44.1 Å²	44.1	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.3	175.3	-67	-96.4	0	0	0	108.7	T417 T418 C420 R423 M438 Q439 C440 V451 M472	T417-Y425 WeakPolarHBondContact CA-O 3.34Å; T417-Y425 WeakPolarHBondContact CB-O 3.25Å; T418-Y425 PolarHBondContact N-O 3.05Å; T418-Y425 PolarHBondContact O-N 3.34Å; C420-Y425 HydrophobicContact CB-CD2 3.95Å; C420-Y425 HydrophobicContact CB-CE2 3.84Å; R423-Y425 HydrophobicContact CB-CE2 3.92Å; Y425-M438 HydrophobicContact CD1-CG 4.2Å; Y425-M438 HydrophobicContact CD1-SD 4.01Å; Y425-Q439 CarbonylContact C-O 3.47Å; Y425-Q439 WeakPolarHBondContact CA-O 3.48Å; Y425-C440 HydrophobicContact CD1-CB 4.03Å; Y425-C440 HydrophobicContact CE1-CB 3.93Å; Y425-V451 HydrophobicContact CD1-CG2 4.12Å; Y425-V451 HydrophobicContact CE1-CG2 4.07Å; Y425-M472 HydrophobicContact CD1-CE 4Å; Y425-M472 HydrophobicContact CD1-SD 4.14Å; Y425-M472 HydrophobicContact CD2-CE 4.04Å; Y425-M472 HydrophobicContact CD2-SD 3.92Å; Y425-M472 HydrophobicContact CE1-SD 4.43Å; Y425-M472 HydrophobicContact CE2-SD 4.24Å; Y425-M472 HydrophobicContact CG-CE 3.54Å; Y425-M472 HydrophobicContact CG-SD 3.87Å
426	A	95.4	Very high	90.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.6	174.1	0	0	0	0	0	109.7	V387 M408 L412 T417 M438 Q439 W448	V387-A426 HydrophobicContact CG1-CB 4.49Å; M408-A426 HydrophobicContact SD-CB 3.75Å; L412-A426 HydrophobicContact CD1-CB 4.23Å; T417-A426 HydrophobicContact CG2-CB 3.8Å; A426-M438 CarbonylContact O-C 3.57Å; A426-M438 WeakPolarHBondContact O-CA 3.4Å; A426-Q439 PolarHBondContact N-O 3.1Å; A426-Q439 PolarHBondContact O-N 2.82Å; A426-W448 HydrophobicContact CB-CH2 3.76Å; A426-W448 HydrophobicContact CB-CZ3 3.56Å
427	I	93.8	Very high	90.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.7	-178.7	-60.3	91.3	0	0	0	108.3	C415 S416 V437 M438 W459 T465 M472 F474	C415-I427 CarbonylContact C-O 3.6Å; C415-I427 VanDerWaalsContact CA-O 3.31Å; C415-I427 WeakPolarHBondContact CA-O 3.44Å; S416-I427 PolarHBondContact N-O 3.09Å; S416-I427 PolarHBondContact O-N 2.93Å; I427-V437 WeakPolarHBondContact CA-O 3.36Å; I427-M438 HydrophobicContact CD1-CG 4.12Å; I427-M438 HydrophobicContact CD1-SD 3.9Å; I427-M438 HydrophobicContact CG1-CB 3.98Å; I427-M438 HydrophobicContact CG1-CG 3.7Å; I427-M438 HydrophobicContact CG1-SD 3.75Å; I427-W459 HydrophobicContact CG2-CE3 4.4Å; I427-W459 HydrophobicContact CG2-CH2 4.27Å; I427-W459 HydrophobicContact CG2-CZ3 3.66Å; I427-T465 HydrophobicContact CD1-CG2 4.18Å; I427-M472 HydrophobicContact CD1-CE 3.98Å; I427-F474 HydrophobicContact CD1-CE1 3.91Å; I427-F474 HydrophobicContact CG1-CE1 3.92Å
428	G	91.5	Very high	90.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	178.6	-178.9	0	0	0	0	0	111.9	M436 V437	G428-M436 VanDerWaalsContact C-SD 3.59Å; G428-M436 WeakPolarHBondContact O-CA 3.47Å; G428-V437 PolarHBondContact N-O 3.05Å; G428-V437 PolarHBondContact O-N 2.99Å
429	S	89.9	Confident	90.2	Very high	18 Å²	18	44 Å²	44	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.9	175.5	-61.8	0	0	0	0	109.6	L412 D413 A431 M436	L412-S429 CarbonylContact C-O 3.49Å; L412-S429 WeakPolarHBondContact CA-O 3.15Å; D413-S429 PolarHBondContact N-O 3.14Å; D413-S429 PolarHBondContact O-N 2.88Å; S429-A431 PolarHBondContact O-N 2.89Å; S429-M436 WeakPolarHBondContact OG-CE 3.09Å; S429-M436 PolarHBondContact OG-SD 2.8Å; S429-M436 VanDerWaalsContact OG-SD 3.32Å
430	L	87.5	Confident	90.3	Very high	31 Å²	31	43.9 Å²	43.9	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	130.7	169.7	-76.6	172.8	0	0	0	110.2	Y410 L412 G432 K433 T435 V437	Y410-L430 VanDerWaalsContact CB-CD2 3.47Å; Y410-L430 HydrophobicContact CG-CD2 4.06Å; L412-L430 HydrophobicContact CD2-CD2 4.07Å; L430-G432 PolarHBondContact O-N 2.86Å; L430-K433 HydrophobicContact CB-CB 4.14Å; L430-K433 HydrophobicContact CB-CD 4.47Å; L430-K433 HydrophobicContact CD1-CD 4.5Å; L430-K433 CarbonylContact O-C 3.53Å; L430-K433 WeakPolarHBondContact O-CA 3.3Å; L430-K433 PolarHBondContact O-N 2.85Å; L430-T435 PolarHBondContact N-O 2.8Å; L430-V437 HydrophobicContact CD1-CG1 3.77Å; L430-V437 HydrophobicContact CD2-CG1 4.27Å; L430-V437 HydrophobicContact CD2-CG2 3.64Å; L430-V437 HydrophobicContact CG-CB 4.45Å; L430-V437 HydrophobicContact CG-CG1 3.81Å; L430-V437 HydrophobicContact CG-CG2 3.76Å
431	A	82.1	Confident	90.4	Very high	49 Å²	49	43.9 Å²	43.9	41%	0.405	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	124.5	-176.2	0	0	0	0	0	112.6	P411 D413 S429 K433	P411-A431 HydrophobicContact CB-CB 3.9Å; P411-A431 WeakPolarHBondContact O-CB 3.16Å; P411-A431 PolarHBondContact O-N 3.42Å; D413-A431 WeakPolarHBondContact OD2-CA 3.37Å; S429-A431 PolarHBondContact O-N 2.89Å; A431-K433 VanDerWaalsContact C-N 3.29Å; A431-K433 PolarHBondContact O-N 2.96Å
432	G	78.1	Confident	90.6	Very high	78 Å²	78	39 Å²	39	80%	0.804	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	12.2	-177.2	0	0	0	0	0	115.7	D413 L430	D413-G432 PolarHBondContact OD2-N 3.41Å; L430-G432 PolarHBondContact O-N 2.86Å
433	K	81.1	Confident	90.8	Very high	137 Å²	137	38.7 Å²	38.7	60%	0.596	22%	0.217	S	C	*	.	S	Bend	trans	-135.8	149.1	174	-62.4	-179.6	-178.2	176.9	0	110.4	L430 A431 T435	L430-K433 HydrophobicContact CB-CB 4.14Å; L430-K433 HydrophobicContact CB-CD 4.47Å; L430-K433 HydrophobicContact CD1-CD 4.5Å; L430-K433 CarbonylContact O-C 3.53Å; L430-K433 WeakPolarHBondContact O-CA 3.3Å; L430-K433 PolarHBondContact O-N 2.85Å; A431-K433 VanDerWaalsContact C-N 3.29Å; A431-K433 PolarHBondContact O-N 2.96Å; K433-T435 PolarHBondContact O-N 2.95Å
434	E	77.6	Confident	90.8	Very high	187 Å²	187	41.1 Å²	41.1	87%	0.874	24%	0.238	S	C	*	.			trans	-82	10.6	174.5	-62	-179.2	170.9	0	0	113.1	M436	E434-M436 PolarHBondContact O-N 3.15Å
435	T	86.6	Confident	90.8	Very high	80 Å²	80	45 Å²	45	49%	0.491	26%	0.262	S	S	.	.			trans	-85.1	114.9	-177.9	-51.4	0	0	0	0	110.3	L430 K433	L430-T435 PolarHBondContact N-O 2.8Å; K433-T435 PolarHBondContact O-N 2.95Å
436	M	89.9	Confident	90.8	Very high	25 Å²	25	46.4 Å²	46.4	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139	172.3	-62.9	-65	163.4	0	0	110.9	G428 S429 E434 L456 W459	G428-M436 VanDerWaalsContact C-SD 3.59Å; G428-M436 WeakPolarHBondContact O-CA 3.47Å; S429-M436 WeakPolarHBondContact OG-CE 3.09Å; S429-M436 PolarHBondContact OG-SD 2.8Å; S429-M436 VanDerWaalsContact OG-SD 3.32Å; E434-M436 PolarHBondContact O-N 3.15Å; M436-L456 HydrophobicContact CB-CD1 3.9Å; M436-L456 VanDerWaalsContact O-CD1 3.24Å; M436-L456 WeakPolarHBondContact O-CD1 3.41Å; M436-W459 HydrophobicContact CB-CE3 4.2Å; M436-W459 HydrophobicContact CG-CB 4.49Å; M436-W459 HydrophobicContact CG-CE3 4.21Å
437	V	92.6	Very high	90.8	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.121	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159	172.3	-63.1	0	0	0	0	110.6	L412 I427 G428 L430 L450	L412-V437 HydrophobicContact CD2-CG2 3.36Å; I427-V437 WeakPolarHBondContact CA-O 3.36Å; G428-V437 PolarHBondContact N-O 3.05Å; G428-V437 PolarHBondContact O-N 2.99Å; L430-V437 HydrophobicContact CD1-CG1 3.77Å; L430-V437 HydrophobicContact CD2-CG1 4.27Å; L430-V437 HydrophobicContact CD2-CG2 3.64Å; L430-V437 HydrophobicContact CG-CB 4.45Å; L430-V437 HydrophobicContact CG-CG1 3.81Å; L430-V437 HydrophobicContact CG-CG2 3.76Å; V437-L450 HydrophobicContact CB-CD1 3.99Å; V437-L450 HydrophobicContact CG1-CD1 4.35Å
438	M	94.4	Very high	91	Very high	1 Å²	1	52 Å²	52	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.8	171.7	-179.1	159.5	65.8	0	0	109.6	Y425 A426 I427 V451 C453 M472 F474 Y485	Y425-M438 HydrophobicContact CD1-CG 4.2Å; Y425-M438 HydrophobicContact CD1-SD 4.01Å; A426-M438 CarbonylContact O-C 3.57Å; A426-M438 WeakPolarHBondContact O-CA 3.4Å; I427-M438 HydrophobicContact CD1-CG 4.12Å; I427-M438 HydrophobicContact CD1-SD 3.9Å; I427-M438 HydrophobicContact CG1-CB 3.98Å; I427-M438 HydrophobicContact CG1-CG 3.7Å; I427-M438 HydrophobicContact CG1-SD 3.75Å; M438-V451 HydrophobicContact CB-CB 4.32Å; M438-V451 HydrophobicContact CE-CB 4.05Å; M438-V451 HydrophobicContact CE-CG1 3.79Å; M438-V451 HydrophobicContact CG-CB 4.11Å; M438-V451 HydrophobicContact CG-CG2 3.99Å; M438-V451 PolarHBondContact O-N 3.27Å; M438-C453 HydrophobicContact CE-CB 3.63Å; M438-M472 HydrophobicContact SD-CE 3.84Å; M438-F474 HydrophobicContact SD-CZ 4.46Å; M438-Y485 HydrophobicContact CE-CD1 3.83Å; M438-Y485 HydrophobicContact CE-CE1 3.52Å
439	Q	95.3	Very high	91.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.2	174.2	-66.2	179.4	94.6	0	0	109.7	Y410 Y425 A426 W448 S449 L450	Y410-Q439 PolarHBondContact O-NE2 2.58Å; Y425-Q439 CarbonylContact C-O 3.47Å; Y425-Q439 WeakPolarHBondContact CA-O 3.48Å; A426-Q439 PolarHBondContact N-O 3.1Å; A426-Q439 PolarHBondContact O-N 2.82Å; Q439-W448 HydrophobicContact CB-CE3 3.78Å; Q439-W448 HydrophobicContact CB-CZ3 4.18Å; Q439-S449 CarbonylContact C-O 3.56Å; Q439-S449 VanDerWaalsContact CA-O 3.3Å; Q439-S449 WeakPolarHBondContact CA-O 3.19Å; Q439-L450 HydrophobicContact CG-CD1 4.21Å
440	C	96.4	Very high	91.4	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.3	179.8	178.6	0	0	0	0	109.5	L424 Y425 W448 S449 V451	L424-C440 CarbonylContact O-C 3.52Å; L424-C440 VanDerWaalsContact O-CA 3.3Å; L424-C440 WeakPolarHBondContact O-CA 3.31Å; Y425-C440 HydrophobicContact CD1-CB 4.03Å; Y425-C440 HydrophobicContact CE1-CB 3.93Å; C440-W448 CarbonylContact O-C 3.53Å; C440-W448 WeakPolarHBondContact O-CA 3.35Å; C440-S449 PolarHBondContact N-O 2.82Å; C440-S449 PolarHBondContact O-N 2.78Å; C440-S449 PolarHBondContact O-OG 3.46Å; C440-V451 HydrophobicContact CB-CG2 3.39Å
441	Y	97.2	Very high	91.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.3	172.9	176.5	-102	0	0	0	110.3	Y385 L405 L424 P443 D446 L447 W448	Y385-Y441 HydrophobicContact CD1-CE1 4.44Å; Y385-Y441 HydrophobicContact CE1-CD1 4.41Å; Y385-Y441 AromaticContact CE1-CE1 3.72Å; Y385-Y441 HydrophobicContact CE1-CE1 3.72Å; L405-Y441 HydrophobicContact CD1-CE1 4.48Å; L405-Y441 WeakPolarHBondContact CD1-OH 3.31Å; L424-Y441 HydrophobicContact CB-CD1 4.42Å; L424-Y441 HydrophobicContact CD1-CD1 4.06Å; L424-Y441 PolarHBondContact N-O 2.82Å; L424-Y441 PolarHBondContact O-N 3.48Å; Y441-P443 HydrophobicContact CE1-CB 4.03Å; Y441-D446 WeakPolarHBondContact CE2-OD1 3.41Å; Y441-D446 PolarHBondContact OH-OD1 2.89Å; Y441-L447 WeakPolarHBondContact CA-O 3.3Å; Y441-W448 AromaticContact CD2-CD1 3.67Å; Y441-W448 HydrophobicContact CD2-CD2 4.07Å; Y441-W448 AromaticContact CD2-CE2 3.68Å; Y441-W448 HydrophobicContact CD2-CG 4.09Å; Y441-W448 HydrophobicContact CD2-CZ2 4.25Å; Y441-W448 AromaticContact CD2-NE1 3.39Å; Y441-W448 HydrophobicContact CG-CD2 4.32Å; Y441-W448 AromaticContact CG-CE2 3.95Å; Y441-W448 HydrophobicContact CG-CZ2 4.11Å
442	D	96.1	Very high	92.2	Very high	29 Å²	29	62.4 Å²	62.4	16%	0.155	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.1	174.7	-169.7	-44.7	0	0	0	109.4	R423 D444 T445 D446 L447	R423-D442 IonicContact CZ-OD2 2.74Å; R423-D442 IonicContact NE-OD2 3.84Å; R423-D442 IonicContact NH2-OD2 3.15Å; R423-D442 PolarHBondContact NH2-OD2 3.28Å; D442-D444 PolarHBondContact O-N 2.85Å; D442-D444 WeakPolarHBondContact OD1-CB 3.16Å; D442-D444 PolarHBondContact OD1-N 2.79Å; D442-T445 WeakPolarHBondContact CB-OG1 3.31Å; D442-T445 PolarHBondContact O-N 2.8Å; D442-D446 PolarHBondContact O-N 2.84Å; D442-L447 PolarHBondContact N-O 2.59Å
443	P	94.5	Very high	92.7	Very high	34 Å²	34	59.1 Å²	59.1	22%	0.221	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.2	-175.2	31.6	-40.2	0	0	0	113.8	L380 Y441	L380-P443 HydrophobicContact CD2-CB 4.22Å; L380-P443 HydrophobicContact CD2-CG 3.91Å; Y441-P443 HydrophobicContact CE1-CB 4.03Å
444	D	94.9	Very high	93	Very high	154 Å²	154	55.2 Å²	55.2	82%	0.824	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-29.2	-179.5	-68.2	-36.9	0	0	0	111.4	D442	D442-D444 PolarHBondContact O-N 2.85Å; D442-D444 WeakPolarHBondContact OD1-CB 3.16Å; D442-D444 PolarHBondContact OD1-N 2.79Å
445	T	95.6	Very high	93.5	Very high	81 Å²	81	55 Å²	55	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-12.2	-178.2	64.4	0	0	0	0	113.9	D442 L447	D442-T445 WeakPolarHBondContact CB-OG1 3.31Å; D442-T445 PolarHBondContact O-N 2.8Å; T445-L447 VanDerWaalsContact C-N 3.3Å; T445-L447 PolarHBondContact O-N 2.84Å
446	D	96	Very high	93.6	Very high	46 Å²	46	52.7 Å²	52.7	25%	0.246	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	47.5	-171.2	-177	30.2	0	0	0	111.4	L405 Q406 Y441 D442	L405-D446 WeakPolarHBondContact CB-OD1 3.48Å; Q406-D446 WeakPolarHBondContact CB-O 3.49Å; Q406-D446 WeakPolarHBondContact CG-O 3.33Å; Q406-D446 PolarHBondContact N-OD1 3.05Å; Y441-D446 WeakPolarHBondContact CE2-OD1 3.41Å; Y441-D446 PolarHBondContact OH-OD1 2.89Å; D442-D446 PolarHBondContact O-N 2.84Å
447	L	96.6	Very high	93.5	Very high	102 Å²	102	52.4 Å²	52.4	53%	0.534	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.4	-178.4	-69	173.1	0	0	0	111.9	Q406 Y441 D442 T445	Q406-L447 HydrophobicContact CG-CD2 4.46Å; Y441-L447 WeakPolarHBondContact CA-O 3.3Å; D442-L447 PolarHBondContact N-O 2.59Å; T445-L447 VanDerWaalsContact C-N 3.3Å; T445-L447 PolarHBondContact O-N 2.84Å
448	W	96.7	Very high	93.2	Very high	15 Å²	15	56.8 Å²	56.8	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141	169	-71.8	90.1	0	0	0	111	V387 T392 Q406 P407 M408 T409 A426 Q439 C440 Y441	V387-W448 HydrophobicContact CG1-CH2 3.88Å; V387-W448 HydrophobicContact CG1-CZ2 3.84Å; V387-W448 HydrophobicContact CG2-CH2 4.22Å; V387-W448 HydrophobicContact CG2-CZ2 4.12Å; T392-W448 HydrophobicContact CG2-CZ2 4.19Å; T392-W448 PolarHBondContact OG1-NE1 2.85Å; T392-W448 VanDerWaalsContact OG1-NE1 3.15Å; Q406-W448 VanDerWaalsContact O-CD1 3.24Å; Q406-W448 PolarHBondContact O-NE1 2.99Å; P407-W448 VanDerWaalsContact C-CD1 3.49Å; M408-W448 HydrophobicContact CB-CD2 4.43Å; M408-W448 HydrophobicContact CG-CD2 3.83Å; M408-W448 HydrophobicContact CG-CE3 4.03Å; M408-W448 HydrophobicContact CG-CG 4.41Å; M408-W448 HydrophobicContact CG-CH2 4.12Å; M408-W448 HydrophobicContact CG-CZ2 3.92Å; M408-W448 HydrophobicContact CG-CZ3 4.17Å; T409-W448 WeakPolarHBondContact OG1-CB 3.31Å; T409-W448 PolarHBondContact OG1-O 2.81Å; T409-W448 VanDerWaalsContact OG1-O 3.05Å; A426-W448 HydrophobicContact CB-CH2 3.76Å; A426-W448 HydrophobicContact CB-CZ3 3.56Å; Q439-W448 HydrophobicContact CB-CE3 3.78Å; Q439-W448 HydrophobicContact CB-CZ3 4.18Å; C440-W448 CarbonylContact O-C 3.53Å; C440-W448 WeakPolarHBondContact O-CA 3.35Å; Y441-W448 AromaticContact CD2-CD1 3.67Å; Y441-W448 HydrophobicContact CD2-CD2 4.07Å; Y441-W448 AromaticContact CD2-CE2 3.68Å; Y441-W448 HydrophobicContact CD2-CG 4.09Å; Y441-W448 HydrophobicContact CD2-CZ2 4.25Å; Y441-W448 AromaticContact CD2-NE1 3.39Å; Y441-W448 HydrophobicContact CG-CD2 4.32Å; Y441-W448 AromaticContact CG-CE2 3.95Å; Y441-W448 HydrophobicContact CG-CZ2 4.11Å
449	S	95.8	Very high	92.9	Very high	58 Å²	58	57.6 Å²	57.6	41%	0.406	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.8	176.7	58.9	0	0	0	0	110.6	Q439 C440	Q439-S449 CarbonylContact C-O 3.56Å; Q439-S449 VanDerWaalsContact CA-O 3.3Å; Q439-S449 WeakPolarHBondContact CA-O 3.19Å; C440-S449 PolarHBondContact N-O 2.82Å; C440-S449 PolarHBondContact O-N 2.78Å; C440-S449 PolarHBondContact O-OG 3.46Å
450	L	95.1	Very high	92.4	Very high	100 Å²	100	61.2 Å²	61.2	52%	0.524	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.8	173.3	-170	72.1	0	0	0	109.4	V437 Q439	V437-L450 HydrophobicContact CB-CD1 3.99Å; V437-L450 HydrophobicContact CG1-CD1 4.35Å; Q439-L450 HydrophobicContact CG-CD1 4.21Å
451	V	93.6	Very high	91.9	Very high	28 Å²	28	67.3 Å²	67.3	17%	0.17	38%	0.381	C	S	.	.			trans	-89.4	117.7	177.3	-172.1	0	0	0	0	109.8	Y425 M438 C440 C453	Y425-V451 HydrophobicContact CD1-CG2 4.12Å; Y425-V451 HydrophobicContact CE1-CG2 4.07Å; M438-V451 HydrophobicContact CB-CB 4.32Å; M438-V451 HydrophobicContact CE-CB 4.05Å; M438-V451 HydrophobicContact CE-CG1 3.79Å; M438-V451 HydrophobicContact CG-CB 4.11Å; M438-V451 HydrophobicContact CG-CG2 3.99Å; M438-V451 PolarHBondContact O-N 3.27Å; C440-V451 HydrophobicContact CB-CG2 3.39Å; V451-C453 VanDerWaalsContact C-N 3.3Å; V451-C453 HydrophobicContact CG1-CB 4.2Å; V451-C453 PolarHBondContact O-N 3.35Å
452	D	91.9	Very high	91.4	Very high	132 Å²	132	68.2 Å²	68.2	71%	0.706	39%	0.388	S	S	*	.			trans	-77	83.6	169.1	-175.1	9.5	0	0	0	110.1	G454 N490	D452-G454 PolarHBondContact OD1-N 3.45Å; D452-N490 PolarHBondContact O-ND2 2.88Å; D452-N490 PolarHBondContact O-OD1 3.2Å
453	C	88.8	Confident	91.2	Very high	9 Å²	9	66.9 Å²	66.9	6%	0.061	38%	0.382	C	S	.	.			trans	-98.6	17	179	56.7	0	0	0	0	112.9	M438 V451 L456 Y485 N490 W492	M438-C453 HydrophobicContact CE-CB 3.63Å; V451-C453 VanDerWaalsContact C-N 3.3Å; V451-C453 HydrophobicContact CG1-CB 4.2Å; V451-C453 PolarHBondContact O-N 3.35Å; C453-L456 WeakPolarHBondContact SG-CD2 3.35Å; C453-Y485 HydrophobicContact CB-CE2 3.79Å; C453-N490 WeakPolarHBondContact CA-OD1 3.34Å; C453-W492 HydrophobicContact CB-CZ2 4.29Å; C453-W492 PolarHBondContact O-NE1 2.89Å
454	G	88.2	Confident	91.2	Very high	54 Å²	54	68.3 Å²	68.3	56%	0.557	38%	0.384	S	S	*	.	S	Bend	trans	67.6	-144.1	-174.1	0	0	0	0	0	112.7	D452 L456	D452-G454 PolarHBondContact OD1-N 3.45Å; G454-L456 PolarHBondContact O-N 2.96Å
455	Q	87.1	Confident	91.2	Very high	182 Å²	182	61.7 Å²	61.7	85%	0.85	35%	0.349	S	S	*	.	S	Bend	trans	-80.5	114.4	178.5	-175.4	172.8	0.5	0	0	110
456	L	88.9	Confident	91.2	Very high	33 Å²	33	58.9 Å²	58.9	17%	0.173	33%	0.332	C	S	.	.			trans	-60.9	147	171.6	-73.2	174.5	0	0	0	111	M436 C453 G454 W459 W492	M436-L456 HydrophobicContact CB-CD1 3.9Å; M436-L456 VanDerWaalsContact O-CD1 3.24Å; M436-L456 WeakPolarHBondContact O-CD1 3.41Å; C453-L456 WeakPolarHBondContact SG-CD2 3.35Å; G454-L456 PolarHBondContact O-N 2.96Å; L456-W459 HydrophobicContact CB-CZ3 4.45Å; L456-W459 HydrophobicContact CD1-CZ3 4.24Å; L456-W459 HydrophobicContact CD2-CH2 3.86Å; L456-W459 HydrophobicContact CD2-CZ3 3.83Å; L456-W459 HydrophobicContact CG-CZ3 4.41Å; L456-W492 HydrophobicContact CD2-CH2 3.99Å; L456-W492 HydrophobicContact CD2-CZ2 3.44Å; L456-W492 VanDerWaalsContact CD2-CZ2 3.44Å
457	P	88.3	Confident	91.1	Very high	18 Å²	18	56.9 Å²	56.9	12%	0.117	32%	0.322	C	S	.	.			trans	-56.5	150.5	169.2	-18.8	29.9	0	0	0	110.9	W459 D483 W492	P457-W459 VanDerWaalsContact C-N 3.26Å; P457-W459 HydrophobicContact CB-CZ2 4.22Å; P457-W459 HydrophobicContact CG-CZ2 3.73Å; P457-W459 PolarHBondContact O-N 3.35Å; P457-D483 HydrophobicContact CG-CB 3.96Å; P457-W492 HydrophobicContact CG-CD2 4.23Å; P457-W492 HydrophobicContact CG-CE3 3.75Å; P457-W492 HydrophobicContact CG-CH2 4.44Å; P457-W492 HydrophobicContact CG-CZ3 3.84Å
458	P	86.6	Confident	91	Very high	112 Å²	112	52.1 Å²	52.1	73%	0.727	30%	0.297	S	S	*	.			trans	-76.6	75.8	-174.7	32.7	-36	0	0	0	110.8
459	W	88.1	Confident	90.7	Very high	19 Å²	19	53.2 Å²	53.2	7%	0.072	30%	0.304	C	S	.	.			trans	-81.3	133.4	177.9	-56.1	-45	0	0	0	111.5	I427 M436 L456 P457 F461 P463 F474 R476 D483 W492	I427-W459 HydrophobicContact CG2-CE3 4.4Å; I427-W459 HydrophobicContact CG2-CH2 4.27Å; I427-W459 HydrophobicContact CG2-CZ3 3.66Å; M436-W459 HydrophobicContact CB-CE3 4.2Å; M436-W459 HydrophobicContact CG-CB 4.49Å; M436-W459 HydrophobicContact CG-CE3 4.21Å; L456-W459 HydrophobicContact CB-CZ3 4.45Å; L456-W459 HydrophobicContact CD1-CZ3 4.24Å; L456-W459 HydrophobicContact CD2-CH2 3.86Å; L456-W459 HydrophobicContact CD2-CZ3 3.83Å; L456-W459 HydrophobicContact CG-CZ3 4.41Å; P457-W459 VanDerWaalsContact C-N 3.26Å; P457-W459 HydrophobicContact CB-CZ2 4.22Å; P457-W459 HydrophobicContact CG-CZ2 3.73Å; P457-W459 PolarHBondContact O-N 3.35Å; W459-F461 WeakPolarHBondContact CB-O 3.46Å; W459-P463 HydrophobicContact CD2-CG 3.88Å; W459-P463 HydrophobicContact CE3-CG 4.07Å; W459-P463 HydrophobicContact CG-CG 4.39Å; W459-P463 HydrophobicContact CH2-CG 4.19Å; W459-P463 HydrophobicContact CZ2-CG 4.02Å; W459-P463 HydrophobicContact CZ3-CG 4.23Å; W459-F474 AromaticContact CH2-CD1 3.73Å; W459-F474 HydrophobicContact CH2-CD1 3.73Å; W459-F474 AromaticContact CH2-CE1 3.99Å; W459-F474 HydrophobicContact CH2-CE1 3.99Å; W459-F474 HydrophobicContact CH2-CG 4.21Å; W459-F474 HydrophobicContact CZ2-CB 3.98Å; W459-F474 AromaticContact CZ2-CD1 3.78Å; W459-F474 HydrophobicContact CZ2-CD1 3.78Å; W459-F474 HydrophobicContact CZ2-CD2 4.48Å; W459-F474 HydrophobicContact CZ2-CE1 4.43Å; W459-F474 AromaticContact CZ2-CG 3.82Å; W459-F474 HydrophobicContact CZ2-CG 3.82Å; W459-R476 VanDerWaalsContact CD1-NE 3.3Å; W459-D483 PolarHBondContact NE1-OD2 3.03Å; W459-W492 AromaticContact CH2-CH2 3.63Å; W459-W492 HydrophobicContact CH2-CH2 3.63Å; W459-W492 HydrophobicContact CH2-CZ2 4.46Å; W459-W492 HydrophobicContact CH2-CZ3 4.15Å; W459-W492 AromaticContact CZ2-CH2 3.87Å; W459-W492 HydrophobicContact CZ2-CH2 3.87Å; W459-W492 AromaticContact CZ2-CZ3 3.89Å; W459-W492 HydrophobicContact CZ2-CZ3 3.89Å
460	S	84.4	Confident	90.6	Very high	76 Å²	76	50.4 Å²	50.4	53%	0.531	28%	0.284	S	S	.	.	S	Bend	trans	-78.3	-32.6	172.5	-40.2	0	0	0	0	111.9	D478	S460-D478 WeakPolarHBondContact CB-OD2 3.44Å; S460-D478 PolarHBondContact OG-OD2 2.9Å
461	F	85.3	Confident	90.6	Very high	131 Å²	131	47.8 Å²	47.8	58%	0.575	27%	0.271	S	S	*	.	S	Bend	trans	-134.3	160.9	178.4	-60.5	-79.3	0	0	0	109.9	W459 P463 D478	W459-F461 WeakPolarHBondContact CB-O 3.46Å; F461-P463 WeakPolarHBondContact O-CD 3.46Å; F461-D478 HydrophobicContact CD2-CB 4.33Å
462	A	87.4	Confident	90.7	Very high	19 Å²	19	46.5 Å²	46.5	16%	0.157	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-60.4	121.3	175.1	0	0	0	0	0	110	N414	N414-A462 HydrophobicContact CB-CB 4.38Å; N414-A462 WeakPolarHBondContact O-CB 3.28Å
463	P	92.4	Very high	90.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.013	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.5	154	179.9	30.6	-37.4	0	0	0	110.9	S416 W459 F461 T465 F474 V475	S416-P463 VanDerWaalsContact CB-O 3.25Å; S416-P463 WeakPolarHBondContact CB-O 3.4Å; W459-P463 HydrophobicContact CD2-CG 3.88Å; W459-P463 HydrophobicContact CE3-CG 4.07Å; W459-P463 HydrophobicContact CG-CG 4.39Å; W459-P463 HydrophobicContact CH2-CG 4.19Å; W459-P463 HydrophobicContact CZ2-CG 4.02Å; W459-P463 HydrophobicContact CZ3-CG 4.23Å; F461-P463 WeakPolarHBondContact O-CD 3.46Å; P463-T465 HydrophobicContact CG-CG2 4.42Å; P463-T465 WeakPolarHBondContact O-CG2 3.41Å; P463-F474 HydrophobicContact CB-CB 3.95Å; P463-F474 HydrophobicContact CG-CB 3.95Å; P463-F474 HydrophobicContact CG-CD1 3.75Å; P463-F474 HydrophobicContact CG-CG 4.32Å; P463-V475 CarbonylContact C-O 3.37Å; P463-V475 WeakPolarHBondContact CA-O 3.26Å; P463-V475 WeakPolarHBondContact CB-O 3.47Å
464	K	93.4	Very high	91.2	Very high	63 Å²	63	40.2 Å²	40.2	27%	0.274	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.1	166.9	-67.4	172.2	-167	-88	0	108.5	V475 D477 G505 L507	K464-V475 PolarHBondContact N-O 2.81Å; K464-V475 PolarHBondContact O-N 3Å; K464-D477 WeakPolarHBondContact CE-OD1 3.27Å; K464-G505 WeakPolarHBondContact CE-O 3.47Å; K464-G505 PolarHBondContact NZ-O 3.24Å; K464-L507 HydrophobicContact CB-CB 4.38Å; K464-L507 HydrophobicContact CB-CD2 4.05Å
465	T	94.8	Very high	91.5	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.092	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.7	-174.9	67.3	0	0	0	0	112.4	S416 I427 P463 Y473 F474	S416-T465 PolarHBondContact OG-N 3.08Å; S416-T465 VanDerWaalsContact OG-N 3.08Å; S416-T465 PolarHBondContact OG-OG1 3.09Å; I427-T465 HydrophobicContact CD1-CG2 4.18Å; P463-T465 HydrophobicContact CG-CG2 4.42Å; P463-T465 WeakPolarHBondContact O-CG2 3.41Å; T465-Y473 VanDerWaalsContact CA-O 3.31Å; T465-Y473 WeakPolarHBondContact CA-O 3.43Å; T465-F474 HydrophobicContact CG2-CD1 3.38Å; T465-F474 HydrophobicContact CG2-CE1 3.62Å; T465-F474 HydrophobicContact CG2-CG 4.33Å
466	V	95.1	Very high	91.7	Very high	22 Å²	22	30 Å²	30	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.7	171.4	78.4	0	0	0	0	110.2	Y473 L507 V509 L514	V466-Y473 PolarHBondContact N-O 2.73Å; V466-Y473 VanDerWaalsContact N-O 3.1Å; V466-Y473 PolarHBondContact O-N 3.09Å; V466-L507 HydrophobicContact CB-CD2 3.88Å; V466-L507 HydrophobicContact CB-CG 4.15Å; V466-L507 HydrophobicContact CG1-CD1 4.12Å; V466-L507 HydrophobicContact CG1-CD2 3.7Å; V466-L507 HydrophobicContact CG1-CG 3.92Å; V466-V509 HydrophobicContact CB-CG2 4.35Å; V466-V509 HydrophobicContact CG1-CG2 3.92Å; V466-V509 HydrophobicContact CG2-CG2 3.47Å; V466-V509 VanDerWaalsContact CG2-CG2 3.47Å; V466-L514 HydrophobicContact CG1-CD2 3.67Å
467	T	95.1	Very high	91.5	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135	176.1	-67.5	0	0	0	0	110.1	H268 D269 T418 A419 C420 L471	H268-T467 WeakPolarHBondContact CB-O 3.36Å; D269-T467 HydrophobicContact CB-CG2 4.29Å; T418-T467 PolarHBondContact OG1-N 2.88Å; T418-T467 VanDerWaalsContact OG1-N 3.1Å; T418-T467 PolarHBondContact OG1-OG1 3.05Å; A419-T467 WeakPolarHBondContact O-CB 3.21Å; A419-T467 WeakPolarHBondContact O-CG2 3.41Å; A419-T467 PolarHBondContact O-OG1 3.27Å; C420-T467 HydrophobicContact CB-CG2 4.06Å; C420-T467 WeakPolarHBondContact CB-OG1 3.07Å; T467-L471 CarbonylContact C-O 3.51Å; T467-L471 VanDerWaalsContact CA-O 3.31Å; T467-L471 WeakPolarHBondContact CA-O 3.47Å
468	L	94.4	Very high	91.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129.6	171.3	171.3	64.2	0	0	0	109.9	H268 G470 L471 Y473 V509 L514 P535	H268-L468 CarbonylContact O-C 3.56Å; H268-L468 VanDerWaalsContact O-CA 3.25Å; H268-L468 WeakPolarHBondContact O-CA 3.13Å; L468-G470 PolarHBondContact O-N 2.93Å; L468-G470 VanDerWaalsContact O-N 3.12Å; L468-L471 PolarHBondContact N-O 3.37Å; L468-L471 PolarHBondContact O-N 3.19Å; L468-Y473 HydrophobicContact CB-CD2 3.98Å; L468-Y473 HydrophobicContact CB-CE2 3.64Å; L468-Y473 HydrophobicContact CD2-CE2 4.42Å; L468-Y473 HydrophobicContact CG-CE2 4.29Å; L468-Y473 WeakPolarHBondContact O-CE2 3.13Å; L468-V509 HydrophobicContact CB-CG2 4.24Å; L468-V509 HydrophobicContact CD1-CG1 3.83Å; L468-L514 HydrophobicContact CB-CD2 3.99Å; L468-L514 HydrophobicContact CD2-CD2 3.6Å; L468-L514 HydrophobicContact CD2-CG 4.01Å; L468-L514 HydrophobicContact CG-CD2 4.45Å; L468-P535 HydrophobicContact CD2-CG 3.7Å
469	N	91.1	Very high	91.6	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	27.7	-178	-56.9	-35	0	0	0	113.9	H268 D269 R270 G271 P272 L471	H268-N469 PolarHBondContact O-N 2.87Å; D269-N469 CarbonylContact O-C 3.6Å; R270-N469 PolarHBondContact O-OD1 2.98Å; G271-N469 VanDerWaalsContact CA-OD1 3.27Å; G271-N469 WeakPolarHBondContact CA-OD1 3.45Å; P272-N469 VanDerWaalsContact CD-OD1 3.31Å; P272-N469 WeakPolarHBondContact CD-OD1 3.49Å; N469-L471 VanDerWaalsContact C-N 3.28Å
470	G	91.9	Very high	91.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	22.5	179.7	0	0	0	0	0	113.4	D269 L468	D269-G470 WeakPolarHBondContact O-CA 3.29Å; D269-G470 PolarHBondContact O-N 3.05Å; D269-G470 WeakPolarHBondContact OD1-CA 3.41Å; L468-G470 PolarHBondContact O-N 2.93Å; L468-G470 VanDerWaalsContact O-N 3.12Å
471	L	95	Very high	92.3	Very high	45 Å²	45	28.2 Å²	28.2	24%	0.236	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.5	166.9	-57.5	176.6	0	0	0	108.2	T467 L468 N469 Y473 V484 N486	T467-L471 CarbonylContact C-O 3.51Å; T467-L471 VanDerWaalsContact CA-O 3.31Å; T467-L471 WeakPolarHBondContact CA-O 3.47Å; L468-L471 PolarHBondContact N-O 3.37Å; L468-L471 PolarHBondContact O-N 3.19Å; N469-L471 VanDerWaalsContact C-N 3.28Å; L471-Y473 HydrophobicContact CB-CD2 4.49Å; L471-Y473 HydrophobicContact CB-CE2 3.84Å; L471-V484 HydrophobicContact CB-CG1 3.89Å; L471-V484 HydrophobicContact CD1-CG1 4.16Å; L471-N486 HydrophobicContact CD2-CB 3.68Å; L471-N486 WeakPolarHBondContact CD2-ND2 3.16Å
472	M	95.9	Very high	92.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.4	176	-61.8	164.6	66.4	0	0	108.5	T418 C420 Y425 I427 M438 F474 V484 Y485 P487	T418-M472 HydrophobicContact CG2-CE 3.67Å; T418-M472 HydrophobicContact CG2-CG 4.14Å; C420-M472 HydrophobicContact CB-CG 3.86Å; C420-M472 HydrophobicContact CB-SD 4.15Å; Y425-M472 HydrophobicContact CD1-CE 4Å; Y425-M472 HydrophobicContact CD1-SD 4.14Å; Y425-M472 HydrophobicContact CD2-CE 4.04Å; Y425-M472 HydrophobicContact CD2-SD 3.92Å; Y425-M472 HydrophobicContact CE1-SD 4.43Å; Y425-M472 HydrophobicContact CE2-SD 4.24Å; Y425-M472 HydrophobicContact CG-CE 3.54Å; Y425-M472 HydrophobicContact CG-SD 3.87Å; I427-M472 HydrophobicContact CD1-CE 3.98Å; M438-M472 HydrophobicContact SD-CE 3.84Å; M472-F474 HydrophobicContact CB-CE2 3.7Å; M472-F474 HydrophobicContact CB-CZ 3.85Å; M472-F474 HydrophobicContact CE-CE1 4.46Å; M472-F474 HydrophobicContact CE-CZ 3.86Å; M472-F474 WeakPolarHBondContact O-CE2 3.44Å; M472-V484 CarbonylContact O-C 3.54Å; M472-V484 VanDerWaalsContact O-CA 3.31Å; M472-V484 WeakPolarHBondContact O-CA 3.32Å; M472-Y485 PolarHBondContact N-O 2.71Å; M472-Y485 PolarHBondContact O-N 2.95Å; M472-Y485 HydrophobicContact SD-CD1 3.92Å; M472-P487 HydrophobicContact SD-CG 4.37Å
473	Y	96.3	Very high	93.2	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.039	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.3	178.1	-67.5	-98.8	0	0	0	109.3	T465 V466 L468 L471 V484 I495 L514 Y533	T465-Y473 VanDerWaalsContact CA-O 3.31Å; T465-Y473 WeakPolarHBondContact CA-O 3.43Å; V466-Y473 PolarHBondContact N-O 2.73Å; V466-Y473 VanDerWaalsContact N-O 3.1Å; V466-Y473 PolarHBondContact O-N 3.09Å; L468-Y473 HydrophobicContact CB-CD2 3.98Å; L468-Y473 HydrophobicContact CB-CE2 3.64Å; L468-Y473 HydrophobicContact CD2-CE2 4.42Å; L468-Y473 HydrophobicContact CG-CE2 4.29Å; L468-Y473 WeakPolarHBondContact O-CE2 3.13Å; L471-Y473 HydrophobicContact CB-CD2 4.49Å; L471-Y473 HydrophobicContact CB-CE2 3.84Å; Y473-V484 HydrophobicContact CD1-CB 4.43Å; Y473-V484 HydrophobicContact CD1-CG1 4.31Å; Y473-V484 HydrophobicContact CD1-CG2 3.36Å; Y473-V484 HydrophobicContact CE1-CB 4.49Å; Y473-V484 HydrophobicContact CE1-CG1 4.13Å; Y473-V484 HydrophobicContact CE1-CG2 3.48Å; Y473-V484 VanDerWaalsContact CE1-CG2 3.48Å; Y473-V484 HydrophobicContact CG-CG2 4.22Å; Y473-I495 HydrophobicContact CD1-CD1 4.14Å; Y473-I495 HydrophobicContact CE1-CD1 4.21Å; Y473-I495 HydrophobicContact CE1-CG2 4.4Å; Y473-L514 HydrophobicContact CD1-CD1 3.47Å; Y473-L514 VanDerWaalsContact CD1-CD1 3.47Å; Y473-L514 HydrophobicContact CD2-CD1 4.4Å; Y473-L514 HydrophobicContact CD2-CD2 4.29Å; Y473-L514 HydrophobicContact CE1-CD1 3.97Å; Y473-L514 HydrophobicContact CG-CD1 3.71Å; Y473-L514 HydrophobicContact CG-CD2 4.3Å; Y473-Y533 HydrophobicContact CE1-CE1 4.26Å
474	F	95.8	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	101.7	-176.6	-57.5	-95.7	0	0	0	108.2	I427 M438 W459 P463 T465 M472 V482 D483 W492	I427-F474 HydrophobicContact CD1-CE1 3.91Å; I427-F474 HydrophobicContact CG1-CE1 3.92Å; M438-F474 HydrophobicContact SD-CZ 4.46Å; W459-F474 AromaticContact CH2-CD1 3.73Å; W459-F474 HydrophobicContact CH2-CD1 3.73Å; W459-F474 AromaticContact CH2-CE1 3.99Å; W459-F474 HydrophobicContact CH2-CE1 3.99Å; W459-F474 HydrophobicContact CH2-CG 4.21Å; W459-F474 HydrophobicContact CZ2-CB 3.98Å; W459-F474 AromaticContact CZ2-CD1 3.78Å; W459-F474 HydrophobicContact CZ2-CD1 3.78Å; W459-F474 HydrophobicContact CZ2-CD2 4.48Å; W459-F474 HydrophobicContact CZ2-CE1 4.43Å; W459-F474 AromaticContact CZ2-CG 3.82Å; W459-F474 HydrophobicContact CZ2-CG 3.82Å; P463-F474 HydrophobicContact CB-CB 3.95Å; P463-F474 HydrophobicContact CG-CB 3.95Å; P463-F474 HydrophobicContact CG-CD1 3.75Å; P463-F474 HydrophobicContact CG-CG 4.32Å; T465-F474 HydrophobicContact CG2-CD1 3.38Å; T465-F474 HydrophobicContact CG2-CE1 3.62Å; T465-F474 HydrophobicContact CG2-CG 4.33Å; M472-F474 HydrophobicContact CB-CE2 3.7Å; M472-F474 HydrophobicContact CB-CZ 3.85Å; M472-F474 HydrophobicContact CE-CE1 4.46Å; M472-F474 HydrophobicContact CE-CZ 3.86Å; M472-F474 WeakPolarHBondContact O-CE2 3.44Å; F474-V482 WeakPolarHBondContact O-CA 3.33Å; F474-V482 WeakPolarHBondContact O-CG1 3.48Å; F474-D483 HydrophobicContact CB-CB 4.25Å; F474-D483 PolarHBondContact N-O 2.87Å; F474-D483 PolarHBondContact O-N 3.38Å; F474-W492 HydrophobicContact CD2-CH2 4.06Å; F474-W492 AromaticContact CD2-CZ3 3.62Å; F474-W492 HydrophobicContact CD2-CZ3 3.62Å; F474-W492 HydrophobicContact CE1-CH2 4.27Å; F474-W492 AromaticContact CE2-CH2 3.61Å; F474-W492 HydrophobicContact CE2-CH2 3.61Å; F474-W492 AromaticContact CE2-CZ3 3.53Å; F474-W492 HydrophobicContact CE2-CZ3 3.53Å; F474-W492 HydrophobicContact CG-CZ3 4.3Å; F474-W492 AromaticContact CZ-CH2 3.72Å; F474-W492 HydrophobicContact CZ-CH2 3.72Å; F474-W492 HydrophobicContact CZ-CZ3 4.12Å
475	V	94.7	Very high	93.5	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.3	177.3	-179.5	0	0	0	0	108.1	P463 K464 V482 M498 L507 V516	P463-V475 CarbonylContact C-O 3.37Å; P463-V475 WeakPolarHBondContact CA-O 3.26Å; P463-V475 WeakPolarHBondContact CB-O 3.47Å; K464-V475 PolarHBondContact N-O 2.81Å; K464-V475 PolarHBondContact O-N 3Å; V475-V482 HydrophobicContact CG1-CG2 4.42Å; V475-V482 HydrophobicContact CG2-CG1 3.97Å; V475-V482 HydrophobicContact CG2-CG2 4.08Å; V475-M498 HydrophobicContact CG1-CE 3.64Å; V475-M498 HydrophobicContact CG1-SD 3.58Å; V475-M498 VanDerWaalsContact CG1-SD 3.58Å; V475-L507 HydrophobicContact CB-CD2 4.15Å; V475-L507 HydrophobicContact CG2-CD1 4.01Å; V475-L507 HydrophobicContact CG2-CD2 3.77Å; V475-V516 HydrophobicContact CG1-CG2 4.47Å
476	R	91.4	Very high	93.5	Very high	18 Å²	18	19.6 Å²	19.6	7%	0.068	11%	0.106	C	C	.	.			trans	-82.8	143.9	-178.9	-59.8	-179.1	-172.2	179.1	3.8	110.3	W459 S479 E481 D483	W459-R476 VanDerWaalsContact CD1-NE 3.3Å; R476-S479 WeakPolarHBondContact CB-OG 3.16Å; R476-S479 WeakPolarHBondContact CD-OG 3.47Å; R476-S479 VanDerWaalsContact O-O 3.11Å; R476-E481 IonicContact CZ-OE2 3.6Å; R476-E481 IonicContact NH1-OE2 3.49Å; R476-E481 PolarHBondContact NH1-OE2 3.22Å; R476-E481 IonicContact NH2-OE2 3.24Å; R476-E481 PolarHBondContact NH2-OE2 3Å; R476-D483 IonicContact CZ-OD2 3.2Å; R476-D483 VanDerWaalsContact CZ-OD2 3.25Å; R476-D483 IonicContact NE-OD2 2.77Å; R476-D483 PolarHBondContact NE-OD2 3.44Å; R476-D483 VanDerWaalsContact NH2-CG 3.35Å; R476-D483 IonicContact NH2-OD1 3.87Å; R476-D483 PolarHBondContact NH2-OD1 3.01Å; R476-D483 VanDerWaalsContact NH2-OD1 3.15Å; R476-D483 IonicContact NH2-OD2 2.87Å; R476-D483 PolarHBondContact NH2-OD2 2.93Å
477	D	84.8	Confident	93.4	Very high	37 Å²	37	19.8 Å²	19.8	20%	0.198	11%	0.108	C	C	.	.	S	Bend	trans	-81.7	-29.6	175.3	-99.2	26.3	0	0	0	112	K464 V501 V503 G504	K464-D477 WeakPolarHBondContact CE-OD1 3.27Å; D477-V501 VanDerWaalsContact O-CG1 3.3Å; D477-V501 WeakPolarHBondContact O-CG1 3.36Å; D477-V503 WeakPolarHBondContact O-CG2 3.39Å; D477-G504 PolarHBondContact OD2-N 2.74Å
478	D	85.2	Confident	93.3	Very high	65 Å²	65	24.3 Å²	24.3	35%	0.348	14%	0.136	S	C	.	.	S	Bend	trans	-92.2	-7.5	-174	67.9	-10.2	0	0	0	114.4	S460 F461	S460-D478 WeakPolarHBondContact CB-OD2 3.44Å; S460-D478 PolarHBondContact OG-OD2 2.9Å; F461-D478 HydrophobicContact CD2-CB 4.33Å
479	S	90.9	Very high	93.2	Very high	26 Å²	26	30.6 Å²	30.6	18%	0.182	16%	0.163	C	C	.	.	S	Bend	trans	-155.7	158.8	-172.9	55.5	0	0	0	0	111.4	R476 E481	R476-S479 WeakPolarHBondContact CB-OG 3.16Å; R476-S479 WeakPolarHBondContact CD-OG 3.47Å; R476-S479 VanDerWaalsContact O-O 3.11Å; S479-E481 PolarHBondContact O-N 3Å
480	A	92.6	Very high	93.3	Very high	22 Å²	22	32.4 Å²	32.4	18%	0.182	17%	0.173	C	C	.	.	S	Bend	trans	-77.9	1.7	178.3	0	0	0	0	0	113.3	S497 M498 V501	A480-S497 CarbonylContact O-C 3.52Å; A480-S497 WeakPolarHBondContact O-CA 3.2Å; A480-S497 VanDerWaalsContact O-CB 3.27Å; A480-S497 WeakPolarHBondContact O-CB 3.29Å; A480-M498 HydrophobicContact CB-CB 3.99Å; A480-M498 PolarHBondContact O-N 3.23Å; A480-V501 HydrophobicContact CB-CG2 4.27Å
481	E	94.1	Very high	93.5	Very high	70 Å²	70	37.7 Å²	37.7	33%	0.327	20%	0.197	S	C	.	.			trans	-75	143	-178.6	-62.4	-165.8	167	0	0	111.5	R476 S479 K494	R476-E481 IonicContact CZ-OE2 3.6Å; R476-E481 IonicContact NH1-OE2 3.49Å; R476-E481 PolarHBondContact NH1-OE2 3.22Å; R476-E481 IonicContact NH2-OE2 3.24Å; R476-E481 PolarHBondContact NH2-OE2 3Å; S479-E481 PolarHBondContact O-N 3Å; E481-K494 IonicContact OE1-NZ 3.74Å; E481-K494 IonicContact OE2-NZ 2.84Å; E481-K494 PolarHBondContact OE2-NZ 2.74Å
482	V	95.9	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.1	175.8	-175.8	0	0	0	0	109.6	F474 V475 I495 M498 W540	F474-V482 WeakPolarHBondContact O-CA 3.33Å; F474-V482 WeakPolarHBondContact O-CG1 3.48Å; V475-V482 HydrophobicContact CG1-CG2 4.42Å; V475-V482 HydrophobicContact CG2-CG1 3.97Å; V475-V482 HydrophobicContact CG2-CG2 4.08Å; V482-I495 HydrophobicContact CB-CD1 3.89Å; V482-I495 HydrophobicContact CB-CG1 3.65Å; V482-I495 HydrophobicContact CG1-CD1 3.65Å; V482-I495 HydrophobicContact CG1-CG1 3.78Å; V482-I495 PolarHBondContact O-N 3.48Å; V482-M498 HydrophobicContact CG2-CG 3.99Å; V482-M498 HydrophobicContact CG2-SD 4.32Å; V482-W540 HydrophobicContact CG2-CZ2 3.97Å
483	D	96.1	Very high	93.5	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	152.8	177	-53.9	-72.8	0	0	0	109.9	P457 W459 F474 R476 W492 K494	P457-D483 HydrophobicContact CG-CB 3.96Å; W459-D483 PolarHBondContact NE1-OD2 3.03Å; F474-D483 HydrophobicContact CB-CB 4.25Å; F474-D483 PolarHBondContact N-O 2.87Å; F474-D483 PolarHBondContact O-N 3.38Å; R476-D483 IonicContact CZ-OD2 3.2Å; R476-D483 VanDerWaalsContact CZ-OD2 3.25Å; R476-D483 IonicContact NE-OD2 2.77Å; R476-D483 PolarHBondContact NE-OD2 3.44Å; R476-D483 VanDerWaalsContact NH2-CG 3.35Å; R476-D483 IonicContact NH2-OD1 3.87Å; R476-D483 PolarHBondContact NH2-OD1 3.01Å; R476-D483 VanDerWaalsContact NH2-OD1 3.15Å; R476-D483 IonicContact NH2-OD2 2.87Å; R476-D483 PolarHBondContact NH2-OD2 2.93Å; D483-W492 HydrophobicContact CB-CE3 4.28Å; D483-W492 HydrophobicContact CB-CZ3 4.19Å; D483-K494 VanDerWaalsContact OD1-CE 3.24Å; D483-K494 WeakPolarHBondContact OD1-CE 3.39Å
484	V	96.3	Very high	93.4	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.8	178.7	-174.9	0	0	0	0	109.7	L471 M472 Y473 W492 D493 I495	L471-V484 HydrophobicContact CB-CG1 3.89Å; L471-V484 HydrophobicContact CD1-CG1 4.16Å; M472-V484 CarbonylContact O-C 3.54Å; M472-V484 VanDerWaalsContact O-CA 3.31Å; M472-V484 WeakPolarHBondContact O-CA 3.32Å; Y473-V484 HydrophobicContact CD1-CB 4.43Å; Y473-V484 HydrophobicContact CD1-CG1 4.31Å; Y473-V484 HydrophobicContact CD1-CG2 3.36Å; Y473-V484 HydrophobicContact CE1-CB 4.49Å; Y473-V484 HydrophobicContact CE1-CG1 4.13Å; Y473-V484 HydrophobicContact CE1-CG2 3.48Å; Y473-V484 VanDerWaalsContact CE1-CG2 3.48Å; Y473-V484 HydrophobicContact CG-CG2 4.22Å; V484-W492 CarbonylContact O-C 3.47Å; V484-W492 WeakPolarHBondContact O-CA 3.43Å; V484-D493 PolarHBondContact N-O 2.87Å; V484-D493 PolarHBondContact O-N 2.98Å; V484-I495 HydrophobicContact CG2-CG1 4.3Å; V484-I495 HydrophobicContact CG2-CG2 3.62Å
485	Y	96.4	Very high	93.3	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.8	176	-179	-116.6	0	0	0	110.8	M438 C453 M472 P487 N490 E491 W492	M438-Y485 HydrophobicContact CE-CD1 3.83Å; M438-Y485 HydrophobicContact CE-CE1 3.52Å; C453-Y485 HydrophobicContact CB-CE2 3.79Å; M472-Y485 PolarHBondContact N-O 2.71Å; M472-Y485 PolarHBondContact O-N 2.95Å; M472-Y485 HydrophobicContact SD-CD1 3.92Å; Y485-P487 HydrophobicContact CD1-CB 4.29Å; Y485-P487 HydrophobicContact CE1-CB 3.86Å; Y485-P487 WeakPolarHBondContact O-CD 3.31Å; Y485-N490 WeakPolarHBondContact CE2-OD1 3.41Å; Y485-N490 PolarHBondContact OH-OD1 3.24Å; Y485-E491 WeakPolarHBondContact CD2-O 3.19Å; Y485-W492 AromaticContact CD2-CD2 3.84Å; Y485-W492 HydrophobicContact CD2-CD2 3.84Å; Y485-W492 AromaticContact CD2-CE2 3.53Å; Y485-W492 HydrophobicContact CD2-CE3 4.44Å; Y485-W492 HydrophobicContact CD2-CG 4.12Å; Y485-W492 HydrophobicContact CD2-CH2 4.42Å; Y485-W492 AromaticContact CD2-CZ2 3.83Å; Y485-W492 HydrophobicContact CD2-CZ2 3.83Å; Y485-W492 AromaticContact CD2-NE1 3.7Å; Y485-W492 HydrophobicContact CE2-CZ2 4.48Å; Y485-W492 AromaticContact CE2-NE1 3.94Å; Y485-W492 HydrophobicContact CG-CD2 4.42Å; Y485-W492 HydrophobicContact CG-CH2 4.22Å; Y485-W492 HydrophobicContact CG-CZ2 4.01Å
486	N	94.8	Very high	93.4	Very high	30 Å²	30	52.4 Å²	52.4	16%	0.16	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	103	170.9	-172.2	-34.5	0	0	0	109.9	L471 T488 K489 N490 E491	L471-N486 HydrophobicContact CD2-CB 3.68Å; L471-N486 WeakPolarHBondContact CD2-ND2 3.16Å; N486-T488 PolarHBondContact O-N 3.08Å; N486-T488 WeakPolarHBondContact OD1-CB 3.5Å; N486-T488 PolarHBondContact OD1-N 2.87Å; N486-K489 HydrophobicContact CB-CB 4.25Å; N486-K489 PolarHBondContact O-N 2.73Å; N486-K489 PolarHBondContact OD1-N 2.89Å; N486-K489 VanDerWaalsContact OD1-N 3.1Å; N486-N490 WeakPolarHBondContact O-CA 3.15Å; N486-N490 PolarHBondContact O-N 2.99Å; N486-E491 PolarHBondContact N-O 3.25Å; N486-E491 PolarHBondContact O-N 2.86Å
487	P	93.1	Very high	93.6	Very high	25 Å²	25	54.7 Å²	54.7	16%	0.162	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.7	-178.2	26.8	-34.4	0	0	0	113.5	R421 M472 Y485	R421-P487 HydrophobicContact CG-CG 4.37Å; M472-P487 HydrophobicContact SD-CG 4.37Å; Y485-P487 HydrophobicContact CD1-CB 4.29Å; Y485-P487 HydrophobicContact CE1-CB 3.86Å; Y485-P487 WeakPolarHBondContact O-CD 3.31Å
488	T	92.1	Very high	94.1	Very high	100 Å²	100	53.4 Å²	53.4	61%	0.613	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-35.9	177.6	-53.5	0	0	0	0	112	N486	N486-T488 PolarHBondContact O-N 3.08Å; N486-T488 WeakPolarHBondContact OD1-CB 3.5Å; N486-T488 PolarHBondContact OD1-N 2.87Å
489	K	93.1	Very high	94.5	Very high	134 Å²	134	55.1 Å²	55.1	58%	0.583	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-16.5	179.9	-63.6	-173.5	-178.6	-178.6	0	113.5	N486 E491	N486-K489 HydrophobicContact CB-CB 4.25Å; N486-K489 PolarHBondContact O-N 2.73Å; N486-K489 PolarHBondContact OD1-N 2.89Å; N486-K489 VanDerWaalsContact OD1-N 3.1Å; K489-E491 HydrophobicContact CB-CB 4.22Å; K489-E491 HydrophobicContact CB-CG 3.99Å; K489-E491 VanDerWaalsContact CD-OE2 3.29Å; K489-E491 WeakPolarHBondContact CD-OE2 3.25Å
490	N	94.1	Very high	94.5	Very high	75 Å²	75	55.5 Å²	55.5	40%	0.401	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	48.2	-169.2	-162.3	21.4	0	0	0	112.5	D452 C453 Y485 N486	D452-N490 PolarHBondContact O-ND2 2.88Å; D452-N490 PolarHBondContact O-OD1 3.2Å; C453-N490 WeakPolarHBondContact CA-OD1 3.34Å; Y485-N490 WeakPolarHBondContact CE2-OD1 3.41Å; Y485-N490 PolarHBondContact OH-OD1 3.24Å; N486-N490 WeakPolarHBondContact O-CA 3.15Å; N486-N490 PolarHBondContact O-N 2.99Å
491	E	95.1	Very high	94.6	Very high	112 Å²	112	55.3 Å²	55.3	52%	0.523	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.7	-176.2	-71.2	174	167.2	0	0	110.5	Y485 N486 K489	Y485-E491 WeakPolarHBondContact CD2-O 3.19Å; N486-E491 PolarHBondContact N-O 3.25Å; N486-E491 PolarHBondContact O-N 2.86Å; K489-E491 HydrophobicContact CB-CB 4.22Å; K489-E491 HydrophobicContact CB-CG 3.99Å; K489-E491 VanDerWaalsContact CD-OE2 3.29Å; K489-E491 WeakPolarHBondContact CD-OE2 3.25Å
492	W	95.8	Very high	94.6	Very high	64 Å²	64	52.1 Å²	52.1	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143.2	170.6	-71.9	94.1	0	0	0	110.7	C453 L456 P457 W459 F474 D483 V484 Y485	C453-W492 HydrophobicContact CB-CZ2 4.29Å; C453-W492 PolarHBondContact O-NE1 2.89Å; L456-W492 HydrophobicContact CD2-CH2 3.99Å; L456-W492 HydrophobicContact CD2-CZ2 3.44Å; L456-W492 VanDerWaalsContact CD2-CZ2 3.44Å; P457-W492 HydrophobicContact CG-CD2 4.23Å; P457-W492 HydrophobicContact CG-CE3 3.75Å; P457-W492 HydrophobicContact CG-CH2 4.44Å; P457-W492 HydrophobicContact CG-CZ3 3.84Å; W459-W492 AromaticContact CH2-CH2 3.63Å; W459-W492 HydrophobicContact CH2-CH2 3.63Å; W459-W492 HydrophobicContact CH2-CZ2 4.46Å; W459-W492 HydrophobicContact CH2-CZ3 4.15Å; W459-W492 AromaticContact CZ2-CH2 3.87Å; W459-W492 HydrophobicContact CZ2-CH2 3.87Å; W459-W492 AromaticContact CZ2-CZ3 3.89Å; W459-W492 HydrophobicContact CZ2-CZ3 3.89Å; F474-W492 HydrophobicContact CD2-CH2 4.06Å; F474-W492 AromaticContact CD2-CZ3 3.62Å; F474-W492 HydrophobicContact CD2-CZ3 3.62Å; F474-W492 HydrophobicContact CE1-CH2 4.27Å; F474-W492 AromaticContact CE2-CH2 3.61Å; F474-W492 HydrophobicContact CE2-CH2 3.61Å; F474-W492 AromaticContact CE2-CZ3 3.53Å; F474-W492 HydrophobicContact CE2-CZ3 3.53Å; F474-W492 HydrophobicContact CG-CZ3 4.3Å; F474-W492 AromaticContact CZ-CH2 3.72Å; F474-W492 HydrophobicContact CZ-CH2 3.72Å; F474-W492 HydrophobicContact CZ-CZ3 4.12Å; D483-W492 HydrophobicContact CB-CE3 4.28Å; D483-W492 HydrophobicContact CB-CZ3 4.19Å; V484-W492 CarbonylContact O-C 3.47Å; V484-W492 WeakPolarHBondContact O-CA 3.43Å; Y485-W492 AromaticContact CD2-CD2 3.84Å; Y485-W492 HydrophobicContact CD2-CD2 3.84Å; Y485-W492 AromaticContact CD2-CE2 3.53Å; Y485-W492 HydrophobicContact CD2-CE3 4.44Å; Y485-W492 HydrophobicContact CD2-CG 4.12Å; Y485-W492 HydrophobicContact CD2-CH2 4.42Å; Y485-W492 AromaticContact CD2-CZ2 3.83Å; Y485-W492 HydrophobicContact CD2-CZ2 3.83Å; Y485-W492 AromaticContact CD2-NE1 3.7Å; Y485-W492 HydrophobicContact CE2-CZ2 4.48Å; Y485-W492 AromaticContact CE2-NE1 3.94Å; Y485-W492 HydrophobicContact CG-CD2 4.42Å; Y485-W492 HydrophobicContact CG-CH2 4.22Å; Y485-W492 HydrophobicContact CG-CZ2 4.01Å
493	D	94.8	Very high	94.4	Very high	107 Å²	107	54.9 Å²	54.9	57%	0.572	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	169.1	173.1	-159.6	0.7	0	0	0	109.5	V484	V484-D493 PolarHBondContact N-O 2.87Å; V484-D493 PolarHBondContact O-N 2.98Å
494	K	93.7	Very high	94.1	Very high	109 Å²	109	54.8 Å²	54.8	47%	0.474	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.3	173.2	-71.9	-164.5	177.2	-162.2	0	110.4	E481 D483	E481-K494 IonicContact OE1-NZ 3.74Å; E481-K494 IonicContact OE2-NZ 2.84Å; E481-K494 PolarHBondContact OE2-NZ 2.74Å; D483-K494 VanDerWaalsContact OD1-CE 3.24Å; D483-K494 WeakPolarHBondContact OD1-CE 3.39Å
495	I	95.6	Very high	94	Very high	26 Å²	26	54.4 Å²	54.4	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	167.1	169.9	63.3	165.2	0	0	0	110.1	Y473 V482 V484 Y533 W540	Y473-I495 HydrophobicContact CD1-CD1 4.14Å; Y473-I495 HydrophobicContact CE1-CD1 4.21Å; Y473-I495 HydrophobicContact CE1-CG2 4.4Å; V482-I495 HydrophobicContact CB-CD1 3.89Å; V482-I495 HydrophobicContact CB-CG1 3.65Å; V482-I495 HydrophobicContact CG1-CD1 3.65Å; V482-I495 HydrophobicContact CG1-CG1 3.78Å; V482-I495 PolarHBondContact O-N 3.48Å; V484-I495 HydrophobicContact CG2-CG1 4.3Å; V484-I495 HydrophobicContact CG2-CG2 3.62Å; I495-Y533 HydrophobicContact CB-CE2 4.22Å; I495-Y533 HydrophobicContact CD1-CD1 3.86Å; I495-Y533 HydrophobicContact CD1-CD2 3.98Å; I495-Y533 HydrophobicContact CD1-CE1 3.73Å; I495-Y533 HydrophobicContact CD1-CE2 3.86Å; I495-Y533 HydrophobicContact CD1-CG 3.98Å; I495-Y533 HydrophobicContact CG2-CE1 4.4Å; I495-Y533 WeakPolarHBondContact CG2-OH 3.36Å; I495-W540 HydrophobicContact CD1-CZ2 4.23Å
496	P	96.1	Very high	93.9	Very high	62 Å²	62	54.6 Å²	54.6	40%	0.403	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-53.2	143.2	173.3	-30.1	39.7	0	0	0	111.8	R538 W540	P496-R538 WeakPolarHBondContact CG-O 3.27Å; P496-W540 PolarHBondContact O-NE1 3.33Å
497	S	95.4	Very high	94	Very high	65 Å²	65	54.3 Å²	54.3	46%	0.455	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-62.9	149.6	176.8	-56	0	0	0	0	111.6	A480	A480-S497 CarbonylContact O-C 3.52Å; A480-S497 WeakPolarHBondContact O-CA 3.2Å; A480-S497 VanDerWaalsContact O-CB 3.27Å; A480-S497 WeakPolarHBondContact O-CB 3.29Å
498	M	95.4	Very high	94.1	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.049	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-53.9	156.7	168	-73.9	-174.6	-53.5	0	0	111.6	V475 A480 V482 Q500 V516 E531 W540	V475-M498 HydrophobicContact CG1-CE 3.64Å; V475-M498 HydrophobicContact CG1-SD 3.58Å; V475-M498 VanDerWaalsContact CG1-SD 3.58Å; A480-M498 HydrophobicContact CB-CB 3.99Å; A480-M498 PolarHBondContact O-N 3.23Å; V482-M498 HydrophobicContact CG2-CG 3.99Å; V482-M498 HydrophobicContact CG2-SD 4.32Å; M498-Q500 VanDerWaalsContact CB-O 3.24Å; M498-Q500 WeakPolarHBondContact CB-O 3.47Å; M498-Q500 PolarHBondContact O-N 2.83Å; M498-V516 HydrophobicContact SD-CB 4.32Å; M498-V516 HydrophobicContact SD-CG1 4.14Å; M498-V516 HydrophobicContact SD-CG2 3.93Å; M498-E531 WeakPolarHBondContact CB-OE1 3.47Å; M498-W540 HydrophobicContact CG-CD2 4.13Å; M498-W540 HydrophobicContact CG-CE3 4.25Å; M498-W540 HydrophobicContact CG-CH2 3.69Å; M498-W540 HydrophobicContact CG-CZ2 3.53Å; M498-W540 HydrophobicContact CG-CZ3 4.05Å; M498-W540 HydrophobicContact SD-CH2 4.18Å; M498-W540 HydrophobicContact SD-CZ2 4.48Å
499	N	93	Very high	94.2	Very high	101 Å²	101	48.8 Å²	48.8	54%	0.54	25%	0.252	S	S	.	.	S	Bend	trans	-72.5	-25.4	178.5	-62.9	-64.2	0	0	0	111.7	E531	N499-E531 WeakPolarHBondContact CB-OE2 2.88Å; N499-E531 VanDerWaalsContact CG-OE2 3.3Å; N499-E531 PolarHBondContact N-OE1 3.25Å; N499-E531 PolarHBondContact N-OE2 3.2Å; N499-E531 PolarHBondContact ND2-OE2 3.25Å
500	Q	91.8	Very high	94.2	Very high	35 Å²	35	42.4 Å²	42.4	16%	0.164	23%	0.225	C	C	.	.	S	Bend	trans	-144.6	172.4	174.3	64.1	173.4	29.4	0	0	111	M498 H502 S527	M498-Q500 VanDerWaalsContact CB-O 3.24Å; M498-Q500 WeakPolarHBondContact CB-O 3.47Å; M498-Q500 PolarHBondContact O-N 2.83Å; Q500-H502 WeakPolarHBondContact CG-NE2 3.49Å; Q500-H502 PolarHBondContact NE2-CE1 2.89Å; Q500-H502 PolarHBondContact NE2-NE2 3.28Å; Q500-S527 PolarHBondContact NE2-OG 3.23Å
501	V	93.4	Very high	93.9	Very high	17 Å²	17	40 Å²	40	10%	0.103	22%	0.217	C	C	.	.			trans	-86	149.3	171.1	-171.1	0	0	0	0	108.4	D477 A480 V503 Y520 D521 N522	D477-V501 VanDerWaalsContact O-CG1 3.3Å; D477-V501 WeakPolarHBondContact O-CG1 3.36Å; A480-V501 HydrophobicContact CB-CG2 4.27Å; V501-V503 HydrophobicContact CG1-CG2 3.88Å; V501-Y520 CarbonylContact C-O 3.47Å; V501-D521 WeakPolarHBondContact O-CA 3.5Å; V501-N522 HydrophobicContact CG2-CB 4.19Å
502	H	94.2	Very high	93.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	20%	0.202	C	C	.	.			trans	-129.9	62.8	-178.2	-75	-92.7	0	0	0	110.3	Q500 G504 G505 V516 G518 V529 E531	Q500-H502 WeakPolarHBondContact CG-NE2 3.49Å; Q500-H502 PolarHBondContact NE2-CE1 2.89Å; Q500-H502 PolarHBondContact NE2-NE2 3.28Å; H502-G504 PolarHBondContact O-N 3.06Å; H502-G505 PolarHBondContact O-N 3.24Å; H502-V516 HydrophobicContact CB-CG1 3.62Å; H502-V516 VanDerWaalsContact CG-CG1 3.42Å; H502-G518 PolarHBondContact ND1-O 2.9Å; H502-V529 PolarHBondContact CE1-O 2.7Å; H502-E531 IonicContact CD2-OE1 2.58Å; H502-E531 IonicContact NE2-OE1 2.71Å; H502-E531 PolarHBondContact NE2-OE1 3.08Å
503	V	93	Very high	93.5	Very high	58 Å²	58	35.6 Å²	35.6	35%	0.352	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-62.9	123.3	-177.3	-170.3	0	0	0	0	109.6	D477 V501 G505 G519 Y520	D477-V503 WeakPolarHBondContact O-CG2 3.39Å; V501-V503 HydrophobicContact CG1-CG2 3.88Å; V503-G505 PolarHBondContact O-N 3.05Å; V503-G519 CarbonylContact O-C 3.51Å; V503-G519 WeakPolarHBondContact O-CA 3.36Å; V503-Y520 WeakPolarHBondContact CG2-O 3.44Å; V503-Y520 PolarHBondContact N-O 2.94Å; V503-Y520 PolarHBondContact O-N 2.88Å
504	G	90	Very high	93.6	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	9.7	-175	0	0	0	0	0	114	D477 H502 W552	D477-G504 PolarHBondContact OD2-N 2.74Å; H502-G504 PolarHBondContact O-N 3.06Å; G504-W552 WeakPolarHBondContact O-CA 3.3Å; G504-W552 PolarHBondContact O-N 2.7Å
505	G	93.6	Very high	93.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	16%	0.157	C	C	.	.			trans	-70.9	-174.7	173.8	0	0	0	0	0	112.6	K464 H502 V503 S517	K464-G505 WeakPolarHBondContact CE-O 3.47Å; K464-G505 PolarHBondContact NZ-O 3.24Å; H502-G505 PolarHBondContact O-N 3.24Å; V503-G505 PolarHBondContact O-N 3.05Å; G505-S517 CarbonylContact C-O 3.57Å; G505-S517 VanDerWaalsContact CA-O 3.29Å; G505-S517 WeakPolarHBondContact CA-O 3.31Å
506	S	94.6	Very high	93.8	Very high	10 Å²	10	25 Å²	25	7%	0.07	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.9	-177	-150.3	0	0	0	0	112.1	V516 S517 H553 S555	S506-V516 VanDerWaalsContact O-CA 3.32Å; S506-V516 WeakPolarHBondContact O-CA 3.24Å; S506-S517 PolarHBondContact N-O 3.36Å; S506-S517 PolarHBondContact O-N 3.16Å; S506-H553 VanDerWaalsContact CB-NE2 3.26Å; S506-H553 WeakPolarHBondContact CB-NE2 3.15Å; S506-H553 WeakPolarHBondContact CB-O 3.43Å; S506-H553 PolarHBondContact OG-O 3.14Å; S506-S555 WeakPolarHBondContact CB-OG 3.25Å; S506-S555 VanDerWaalsContact OG-CB 3.31Å; S506-S555 WeakPolarHBondContact OG-CB 3.4Å; S506-S555 PolarHBondContact OG-N 2.93Å; S506-S555 PolarHBondContact OG-OG 2.88Å
507	L	95.7	Very high	93.7	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.12	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.2	-177.1	173.2	64.3	0	0	0	110.1	K464 V466 V475 L514 Y515 V516 S555	K464-L507 HydrophobicContact CB-CB 4.38Å; K464-L507 HydrophobicContact CB-CD2 4.05Å; V466-L507 HydrophobicContact CB-CD2 3.88Å; V466-L507 HydrophobicContact CB-CG 4.15Å; V466-L507 HydrophobicContact CG1-CD1 4.12Å; V466-L507 HydrophobicContact CG1-CD2 3.7Å; V466-L507 HydrophobicContact CG1-CG 3.92Å; V475-L507 HydrophobicContact CB-CD2 4.15Å; V475-L507 HydrophobicContact CG2-CD1 4.01Å; V475-L507 HydrophobicContact CG2-CD2 3.77Å; L507-L514 HydrophobicContact CD1-CB 4.38Å; L507-Y515 WeakPolarHBondContact CA-O 3.37Å; L507-V516 HydrophobicContact CD1-CG2 3.92Å; L507-S555 PolarHBondContact N-OG 3.13Å
508	A	95.6	Very high	93.7	Very high	5 Å²	5	19 Å²	19	4%	0.041	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159	174.6	0	0	0	0	0	111.9	L288 Y515	L288-A508 HydrophobicContact CD1-CB 3.6Å; A508-Y515 PolarHBondContact N-O 3.15Å; A508-Y515 PolarHBondContact O-N 2.83Å
509	V	94.3	Very high	93.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.024	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129	169.7	177.5	0	0	0	0	109.2	H268 V466 L468 K513 L514 S557	H268-V509 HydrophobicContact CB-CB 4.41Å; H268-V509 HydrophobicContact CB-CG1 4.17Å; H268-V509 HydrophobicContact CB-CG2 4.5Å; H268-V509 PolarHBondContact CE1-O 2.84Å; H268-V509 WeakPolarHBondContact ND1-CG1 3.47Å; V466-V509 HydrophobicContact CB-CG2 4.35Å; V466-V509 HydrophobicContact CG1-CG2 3.92Å; V466-V509 HydrophobicContact CG2-CG2 3.47Å; V466-V509 VanDerWaalsContact CG2-CG2 3.47Å; L468-V509 HydrophobicContact CB-CG2 4.24Å; L468-V509 HydrophobicContact CD1-CG1 3.83Å; V509-K513 WeakPolarHBondContact CA-O 3.07Å; V509-L514 HydrophobicContact CG2-CD2 3.91Å; V509-S557 WeakPolarHBondContact O-CB 3.4Å; V509-S557 PolarHBondContact O-OG 3.17Å
510	L	92.1	Very high	93.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	127.9	178.8	169.5	68.4	0	0	0	109.2	E286 L288 P309 G512 K513 Y515	E286-L510 HydrophobicContact CB-CD1 3.8Å; E286-L510 HydrophobicContact CG-CD1 3.57Å; L288-L510 HydrophobicContact CB-CD2 3.86Å; P309-L510 HydrophobicContact CB-CD2 4.14Å; P309-L510 HydrophobicContact CG-CD1 4.44Å; P309-L510 HydrophobicContact CG-CD2 3.73Å; P309-L510 HydrophobicContact CG-CG 4.27Å; L510-G512 PolarHBondContact O-N 3.46Å; L510-G512 VanDerWaalsContact O-N 3.1Å; L510-K513 PolarHBondContact N-O 2.83Å; L510-K513 PolarHBondContact O-N 2.85Å; L510-Y515 HydrophobicContact CB-CD2 3.62Å; L510-Y515 HydrophobicContact CB-CE2 3.61Å; L510-Y515 HydrophobicContact CB-CG 4.33Å; L510-Y515 HydrophobicContact CD2-CD1 4.24Å; L510-Y515 HydrophobicContact CD2-CD2 4.19Å; L510-Y515 HydrophobicContact CD2-CE1 3.8Å; L510-Y515 HydrophobicContact CD2-CE2 3.74Å; L510-Y515 HydrophobicContact CD2-CG 4.42Å; L510-Y515 HydrophobicContact CG-CD2 4.33Å; L510-Y515 HydrophobicContact CG-CE2 3.89Å; L510-Y515 WeakPolarHBondContact O-CE2 3.43Å
511	G	87.9	Confident	93.6	Very high	23 Å²	23	16.4 Å²	16.4	24%	0.237	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	26.7	173.7	0	0	0	0	0	114.3	R277 E286 K513	R277-G511 PolarHBondContact NH2-O 3.15Å; E286-G511 VanDerWaalsContact OE2-CA 3.3Å; E286-G511 WeakPolarHBondContact OE2-CA 3.31Å; E286-G511 PolarHBondContact OE2-N 3.4Å; G511-K513 VanDerWaalsContact C-N 3.35Å
512	G	90.2	Very high	93.3	Very high	20 Å²	20	21.1 Å²	21.1	21%	0.206	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	19.2	-176.2	0	0	0	0	0	114.9	L510 P535	L510-G512 PolarHBondContact O-N 3.46Å; L510-G512 VanDerWaalsContact O-N 3.1Å; G512-P535 WeakPolarHBondContact O-CD 3.48Å
513	K	93.8	Very high	93	Very high	64 Å²	64	24.8 Å²	24.8	28%	0.278	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.8	175.9	-59.6	-170.1	-168.6	-160.3	0	109.7	V509 L510 G511 Y515 Y533 D534	V509-K513 WeakPolarHBondContact CA-O 3.07Å; L510-K513 PolarHBondContact N-O 2.83Å; L510-K513 PolarHBondContact O-N 2.85Å; G511-K513 VanDerWaalsContact C-N 3.35Å; K513-Y515 HydrophobicContact CB-CD2 4.32Å; K513-Y515 HydrophobicContact CB-CE2 3.87Å; K513-Y533 WeakPolarHBondContact CA-O 3.44Å; K513-Y533 WeakPolarHBondContact CB-O 3.3Å; K513-D534 HydrophobicContact CD-CB 3.98Å; K513-D534 WeakPolarHBondContact CE-OD2 3.48Å; K513-D534 HydrophobicContact CG-CB 4.46Å; K513-D534 IonicContact NZ-OD2 3.86Å; K513-D534 PolarHBondContact NZ-OD2 3.49Å
514	L	96	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.1	170.6	-48	175	0	0	0	108.4	V466 L468 Y473 L507 V509 A532 Y533	V466-L514 HydrophobicContact CG1-CD2 3.67Å; L468-L514 HydrophobicContact CB-CD2 3.99Å; L468-L514 HydrophobicContact CD2-CD2 3.6Å; L468-L514 HydrophobicContact CD2-CG 4.01Å; L468-L514 HydrophobicContact CG-CD2 4.45Å; Y473-L514 HydrophobicContact CD1-CD1 3.47Å; Y473-L514 VanDerWaalsContact CD1-CD1 3.47Å; Y473-L514 HydrophobicContact CD2-CD1 4.4Å; Y473-L514 HydrophobicContact CD2-CD2 4.29Å; Y473-L514 HydrophobicContact CE1-CD1 3.97Å; Y473-L514 HydrophobicContact CG-CD1 3.71Å; Y473-L514 HydrophobicContact CG-CD2 4.3Å; L507-L514 HydrophobicContact CD1-CB 4.38Å; V509-L514 HydrophobicContact CG2-CD2 3.91Å; L514-A532 CarbonylContact O-C 3.59Å; L514-A532 WeakPolarHBondContact O-CA 3.44Å; L514-A532 WeakPolarHBondContact O-CB 3.24Å; L514-Y533 HydrophobicContact CD1-CD1 3.91Å; L514-Y533 HydrophobicContact CD1-CG 4.45Å; L514-Y533 HydrophobicContact CG-CD1 4.21Å; L514-Y533 PolarHBondContact N-O 2.98Å; L514-Y533 VanDerWaalsContact N-O 3.15Å; L514-Y533 PolarHBondContact O-N 3.47Å
515	Y	96.4	Very high	92.8	Very high	17 Å²	17	36.8 Å²	36.8	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.3	174.8	-79.9	-111.5	0	0	0	108.7	L288 Y307 L507 A508 L510 K513 V530 E531 A532 V543	L288-Y515 HydrophobicContact CD2-CD1 4.33Å; Y307-Y515 HydrophobicContact CE1-CE1 4.21Å; L507-Y515 WeakPolarHBondContact CA-O 3.37Å; A508-Y515 PolarHBondContact N-O 3.15Å; A508-Y515 PolarHBondContact O-N 2.83Å; L510-Y515 HydrophobicContact CB-CD2 3.62Å; L510-Y515 HydrophobicContact CB-CE2 3.61Å; L510-Y515 HydrophobicContact CB-CG 4.33Å; L510-Y515 HydrophobicContact CD2-CD1 4.24Å; L510-Y515 HydrophobicContact CD2-CD2 4.19Å; L510-Y515 HydrophobicContact CD2-CE1 3.8Å; L510-Y515 HydrophobicContact CD2-CE2 3.74Å; L510-Y515 HydrophobicContact CD2-CG 4.42Å; L510-Y515 HydrophobicContact CG-CD2 4.33Å; L510-Y515 HydrophobicContact CG-CE2 3.89Å; L510-Y515 WeakPolarHBondContact O-CE2 3.43Å; K513-Y515 HydrophobicContact CB-CD2 4.32Å; K513-Y515 HydrophobicContact CB-CE2 3.87Å; Y515-V530 HydrophobicContact CD1-CG1 4Å; Y515-E531 WeakPolarHBondContact CA-O 3.27Å; Y515-A532 HydrophobicContact CD1-CB 4.07Å; Y515-A532 HydrophobicContact CD2-CB 4.07Å; Y515-A532 HydrophobicContact CE1-CB 3.92Å; Y515-A532 HydrophobicContact CE2-CB 3.92Å; Y515-A532 HydrophobicContact CG-CB 4.14Å; Y515-V543 HydrophobicContact CD1-CG2 4.05Å; Y515-V543 HydrophobicContact CE1-CG2 3.68Å
516	V	96.4	Very high	92.8	Very high	4 Å²	4	38 Å²	38	2%	0.024	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.6	173.5	-172.7	0	0	0	0	108	V475 M498 H502 S506 L507 V530 E531 W540	V475-V516 HydrophobicContact CG1-CG2 4.47Å; M498-V516 HydrophobicContact SD-CB 4.32Å; M498-V516 HydrophobicContact SD-CG1 4.14Å; M498-V516 HydrophobicContact SD-CG2 3.93Å; H502-V516 HydrophobicContact CB-CG1 3.62Å; H502-V516 VanDerWaalsContact CG-CG1 3.42Å; S506-V516 VanDerWaalsContact O-CA 3.32Å; S506-V516 WeakPolarHBondContact O-CA 3.24Å; L507-V516 HydrophobicContact CD1-CG2 3.92Å; V516-V530 WeakPolarHBondContact O-CA 3.12Å; V516-E531 HydrophobicContact CB-CG 4.42Å; V516-E531 PolarHBondContact N-O 3.3Å; V516-E531 PolarHBondContact O-N 2.89Å; V516-W540 HydrophobicContact CB-CZ3 4.44Å; V516-W540 HydrophobicContact CG2-CH2 3.8Å; V516-W540 HydrophobicContact CG2-CZ3 3.83Å
517	S	95.2	Very high	92.7	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144	-172.8	55.4	0	0	0	0	112.7	G505 S506 H553	G505-S517 CarbonylContact C-O 3.57Å; G505-S517 VanDerWaalsContact CA-O 3.29Å; G505-S517 WeakPolarHBondContact CA-O 3.31Å; S506-S517 PolarHBondContact N-O 3.36Å; S506-S517 PolarHBondContact O-N 3.16Å; S517-H553 PolarHBondContact O-CE1 3.45Å; S517-H553 PolarHBondContact OG-NE2 2.76Å
518	G	94.6	Very high	92.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.			trans	64.2	-155.3	170.7	0	0	0	0	0	114.6	H502 S527 V529 T550	H502-G518 PolarHBondContact ND1-O 2.9Å; G518-S527 WeakPolarHBondContact CA-O 3.36Å; G518-V529 PolarHBondContact N-O 2.89Å; G518-T550 CarbonylContact C-O 3.58Å; G518-T550 VanDerWaalsContact CA-O 3.29Å; G518-T550 WeakPolarHBondContact CA-O 3.27Å
519	G	94.3	Very high	92.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	76.5	-177.5	-177.1	0	0	0	0	0	113.4	V503 S527 T550	V503-G519 CarbonylContact O-C 3.51Å; V503-G519 WeakPolarHBondContact O-CA 3.36Å; G519-S527 VanDerWaalsContact O-CB 3.28Å; G519-S527 WeakPolarHBondContact O-CB 3.1Å; G519-S527 PolarHBondContact O-N 2.81Å; G519-T550 PolarHBondContact N-O 3.36Å
520	Y	93.7	Very high	92.6	Very high	64 Å²	64	38.9 Å²	38.9	25%	0.251	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-91.8	139.5	179.7	-63.3	-89.5	0	0	0	111.7	V501 V503 E525 L526 F551	V501-Y520 CarbonylContact C-O 3.47Å; V503-Y520 WeakPolarHBondContact CG2-O 3.44Å; V503-Y520 PolarHBondContact N-O 2.94Å; V503-Y520 PolarHBondContact O-N 2.88Å; Y520-E525 WeakPolarHBondContact CA-O 3.25Å; Y520-L526 HydrophobicContact CD1-CB 4.2Å; Y520-L526 HydrophobicContact CD1-CD1 4.35Å; Y520-L526 HydrophobicContact CD2-CD1 4.46Å; Y520-L526 HydrophobicContact CE1-CB 3.93Å; Y520-L526 HydrophobicContact CE1-CD1 4.12Å; Y520-L526 HydrophobicContact CE2-CD1 4.24Å; Y520-F551 HydrophobicContact CD2-CB 4.46Å; Y520-F551 HydrophobicContact CE2-CB 4.11Å; Y520-F551 AromaticContact CE2-CD1 3.96Å; Y520-F551 HydrophobicContact CE2-CD1 3.96Å; Y520-F551 AromaticContact CE2-CD2 3.87Å; Y520-F551 HydrophobicContact CE2-CD2 3.87Å; Y520-F551 HydrophobicContact CE2-CE1 4.32Å; Y520-F551 HydrophobicContact CE2-CE2 4.24Å; Y520-F551 AromaticContact CE2-CG 3.72Å; Y520-F551 HydrophobicContact CE2-CG 3.72Å; Y520-F551 HydrophobicContact CE2-CZ 4.46Å; Y520-F551 WeakPolarHBondContact OH-CE1 3.35Å
521	D	91.2	Very high	92.8	Very high	26 Å²	26	38.8 Å²	38.8	14%	0.139	20%	0.201	C	C	.	.			trans	-82.4	-176.4	174.4	74.7	11.3	0	0	0	112.7	V501 T523 F524 E525	V501-D521 WeakPolarHBondContact O-CA 3.5Å; D521-T523 VanDerWaalsContact CG-OG1 3.29Å; D521-T523 PolarHBondContact O-N 3.18Å; D521-T523 VanDerWaalsContact OD1-CA 3.25Å; D521-T523 WeakPolarHBondContact OD1-CA 3.29Å; D521-T523 WeakPolarHBondContact OD1-CB 3.29Å; D521-T523 PolarHBondContact OD1-N 3.08Å; D521-T523 PolarHBondContact OD1-OG1 2.79Å; D521-T523 PolarHBondContact OD2-OG1 2.9Å; D521-F524 PolarHBondContact O-N 2.71Å; D521-F524 VanDerWaalsContact O-N 3.09Å; D521-F524 PolarHBondContact OD1-N 2.81Å; D521-F524 VanDerWaalsContact OD1-N 3.12Å; D521-E525 PolarHBondContact N-O 3.13Å; D521-E525 PolarHBondContact OD1-N 3.2Å
522	N	86.6	Confident	93.2	Very high	116 Å²	116	37.8 Å²	37.8	62%	0.62	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.8	179.1	64.5	-13.5	0	0	0	114.2	V501	V501-N522 HydrophobicContact CG2-CB 4.19Å
523	T	88.6	Confident	93.5	Very high	81 Å²	81	37.1 Å²	37.1	50%	0.497	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.9	172.9	70.9	0	0	0	0	112.6	D521 E525	D521-T523 VanDerWaalsContact CG-OG1 3.29Å; D521-T523 PolarHBondContact O-N 3.18Å; D521-T523 VanDerWaalsContact OD1-CA 3.25Å; D521-T523 WeakPolarHBondContact OD1-CA 3.29Å; D521-T523 WeakPolarHBondContact OD1-CB 3.29Å; D521-T523 PolarHBondContact OD1-N 3.08Å; D521-T523 PolarHBondContact OD1-OG1 2.79Å; D521-T523 PolarHBondContact OD2-OG1 2.9Å; T523-E525 PolarHBondContact O-N 2.58Å
524	F	86.9	Confident	93.6	Very high	178 Å²	178	35 Å²	35	78%	0.781	17%	0.173	S	C	*	.	S	Bend	trans	64.3	22.2	-174.3	-52	-84	0	0	0	113.4	D521	D521-F524 PolarHBondContact O-N 2.71Å; D521-F524 VanDerWaalsContact O-N 3.09Å; D521-F524 PolarHBondContact OD1-N 2.81Å; D521-F524 VanDerWaalsContact OD1-N 3.12Å
525	E	91.1	Very high	93.4	Very high	135 Å²	135	36.4 Å²	36.4	63%	0.631	18%	0.182	S	C	*	.	P	Polyproline II helix	trans	-89.5	139	171.1	-67.7	-170.1	173.3	0	0	109.7	Y520 D521 T523 S527	Y520-E525 WeakPolarHBondContact CA-O 3.25Å; D521-E525 PolarHBondContact N-O 3.13Å; D521-E525 PolarHBondContact OD1-N 3.2Å; T523-E525 PolarHBondContact O-N 2.58Å; E525-S527 PolarHBondContact O-N 2.78Å
526	L	93.3	Very high	93.1	Very high	27 Å²	27	43 Å²	43	14%	0.141	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-70.7	122.3	176.7	-174.8	61.2	0	0	0	108.9	Q296 Y520 P549 F551	Q296-L526 HydrophobicContact CB-CD2 4.03Å; Y520-L526 HydrophobicContact CD1-CB 4.2Å; Y520-L526 HydrophobicContact CD1-CD1 4.35Å; Y520-L526 HydrophobicContact CD2-CD1 4.46Å; Y520-L526 HydrophobicContact CE1-CB 3.93Å; Y520-L526 HydrophobicContact CE1-CD1 4.12Å; Y520-L526 HydrophobicContact CE2-CD1 4.24Å; L526-P549 HydrophobicContact CB-CB 4.29Å; L526-P549 HydrophobicContact CD2-CB 3.82Å; L526-P549 WeakPolarHBondContact CD2-O 3.4Å; L526-P549 HydrophobicContact CG-CB 3.65Å; L526-F551 HydrophobicContact CD1-CB 3.79Å; L526-F551 HydrophobicContact CD1-CD1 3.73Å; L526-F551 HydrophobicContact CD1-CG 4.16Å; L526-F551 HydrophobicContact CD2-CD1 4.2Å
527	S	93.3	Very high	93	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-95.5	142	-173.1	-162.8	0	0	0	0	111.8	Q500 G518 G519 E525 V529	Q500-S527 PolarHBondContact NE2-OG 3.23Å; G518-S527 WeakPolarHBondContact CA-O 3.36Å; G519-S527 VanDerWaalsContact O-CB 3.28Å; G519-S527 WeakPolarHBondContact O-CB 3.1Å; G519-S527 PolarHBondContact O-N 2.81Å; E525-S527 PolarHBondContact O-N 2.78Å; S527-V529 WeakPolarHBondContact OG-CB 3.49Å; S527-V529 WeakPolarHBondContact OG-CG2 2.99Å; S527-V529 PolarHBondContact OG-N 2.9Å
528	D	93.6	Very high	93	Very high	38 Å²	38	55.5 Å²	55.5	20%	0.203	27%	0.271	C	S	.	.			trans	-98.4	2.1	166.2	65.2	-22.2	0	0	0	111.6	R545 L546 P549	D528-R545 CarbonylContact O-C 3.51Å; D528-R545 WeakPolarHBondContact O-CA 3.28Å; D528-R545 IonicContact OD1-CZ 2.74Å; D528-R545 IonicContact OD1-NH1 2.7Å; D528-R545 PolarHBondContact OD1-NH1 3.44Å; D528-R545 WeakPolarHBondContact OD2-CB 3.48Å; D528-R545 VanDerWaalsContact OD2-CD 3.27Å; D528-R545 WeakPolarHBondContact OD2-CD 3.38Å; D528-R545 WeakPolarHBondContact OD2-CG 3.42Å; D528-R545 IonicContact OD2-CZ 3.31Å; D528-R545 IonicContact OD2-NE 2.95Å; D528-R545 IonicContact OD2-NH1 2.92Å; D528-R545 PolarHBondContact OD2-NH1 2.82Å; D528-L546 HydrophobicContact CB-CB 4.25Å; D528-L546 WeakPolarHBondContact O-CG 3.42Å; D528-L546 PolarHBondContact O-N 2.87Å; D528-P549 HydrophobicContact CB-CB 4.43Å; D528-P549 HydrophobicContact CB-CG 4.21Å
529	V	94.6	Very high	93	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.6	-170.4	172.4	0	0	0	0	111	H502 G518 S527 V542	H502-V529 PolarHBondContact CE1-O 2.7Å; G518-V529 PolarHBondContact N-O 2.89Å; S527-V529 WeakPolarHBondContact OG-CB 3.49Å; S527-V529 WeakPolarHBondContact OG-CG2 2.99Å; S527-V529 PolarHBondContact OG-N 2.9Å; V529-V542 HydrophobicContact CG1-CG1 4.1Å; V529-V542 HydrophobicContact CG1-CG2 4.16Å
530	V	95.3	Very high	93.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.8	165.8	-173.3	0	0	0	0	108.7	W314 Y515 V516 V543 G544 L546	W314-V530 HydrophobicContact CZ2-CG2 4.07Å; Y515-V530 HydrophobicContact CD1-CG1 4Å; V516-V530 WeakPolarHBondContact O-CA 3.12Å; V530-V543 HydrophobicContact CB-CG2 4.25Å; V530-V543 HydrophobicContact CG1-CG2 3.78Å; V530-V543 WeakPolarHBondContact O-CG2 3.16Å; V530-V543 PolarHBondContact O-N 2.98Å; V530-G544 PolarHBondContact N-O 3.2Å; V530-G544 PolarHBondContact O-N 2.77Å; V530-L546 HydrophobicContact CG2-CD2 3.44Å; V530-L546 VanDerWaalsContact CG2-CD2 3.44Å; V530-L546 HydrophobicContact CG2-CG 3.92Å
531	E	95.6	Very high	93.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.8	175	63.9	175.9	171.7	0	0	112.2	M498 N499 H502 Y515 V516 W540 S541	M498-E531 WeakPolarHBondContact CB-OE1 3.47Å; N499-E531 WeakPolarHBondContact CB-OE2 2.88Å; N499-E531 VanDerWaalsContact CG-OE2 3.3Å; N499-E531 PolarHBondContact N-OE1 3.25Å; N499-E531 PolarHBondContact N-OE2 3.2Å; N499-E531 PolarHBondContact ND2-OE2 3.25Å; H502-E531 IonicContact CD2-OE1 2.58Å; H502-E531 IonicContact NE2-OE1 2.71Å; H502-E531 PolarHBondContact NE2-OE1 3.08Å; Y515-E531 WeakPolarHBondContact CA-O 3.27Å; V516-E531 HydrophobicContact CB-CG 4.42Å; V516-E531 PolarHBondContact N-O 3.3Å; V516-E531 PolarHBondContact O-N 2.89Å; E531-W540 HydrophobicContact CB-CE3 4.36Å; E531-W540 HydrophobicContact CG-CE3 3.86Å; E531-W540 HydrophobicContact CG-CZ3 4.12Å; E531-S541 CarbonylContact C-O 3.56Å; E531-S541 VanDerWaalsContact CA-O 3.3Å; E531-S541 WeakPolarHBondContact CA-O 3.47Å
532	A	96.9	Very high	93.4	Very high	1 Å²	1	61 Å²	61	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.3	-178.5	0	0	0	0	0	112	L514 Y515 W540 S541 V543	L514-A532 CarbonylContact O-C 3.59Å; L514-A532 WeakPolarHBondContact O-CA 3.44Å; L514-A532 WeakPolarHBondContact O-CB 3.24Å; Y515-A532 HydrophobicContact CD1-CB 4.07Å; Y515-A532 HydrophobicContact CD2-CB 4.07Å; Y515-A532 HydrophobicContact CE1-CB 3.92Å; Y515-A532 HydrophobicContact CE2-CB 3.92Å; Y515-A532 HydrophobicContact CG-CB 4.14Å; A532-W540 WeakPolarHBondContact O-CA 3.26Å; A532-S541 PolarHBondContact N-O 2.89Å; A532-S541 PolarHBondContact O-N 2.93Å; A532-V543 HydrophobicContact CB-CG1 3.71Å; A532-V543 HydrophobicContact CB-CG2 4.07Å
533	Y	96.9	Very high	93.7	Very high	6 Å²	6	57.6 Å²	57.6	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.5	170.8	178.2	-108.6	0	0	0	110.5	Y473 I495 K513 L514 P535 W540	Y473-Y533 HydrophobicContact CE1-CE1 4.26Å; I495-Y533 HydrophobicContact CB-CE2 4.22Å; I495-Y533 HydrophobicContact CD1-CD1 3.86Å; I495-Y533 HydrophobicContact CD1-CD2 3.98Å; I495-Y533 HydrophobicContact CD1-CE1 3.73Å; I495-Y533 HydrophobicContact CD1-CE2 3.86Å; I495-Y533 HydrophobicContact CD1-CG 3.98Å; I495-Y533 HydrophobicContact CG2-CE1 4.4Å; I495-Y533 WeakPolarHBondContact CG2-OH 3.36Å; K513-Y533 WeakPolarHBondContact CA-O 3.44Å; K513-Y533 WeakPolarHBondContact CB-O 3.3Å; L514-Y533 HydrophobicContact CD1-CD1 3.91Å; L514-Y533 HydrophobicContact CD1-CG 4.45Å; L514-Y533 HydrophobicContact CG-CD1 4.21Å; L514-Y533 PolarHBondContact N-O 2.98Å; L514-Y533 VanDerWaalsContact N-O 3.15Å; L514-Y533 PolarHBondContact O-N 3.47Å; Y533-P535 HydrophobicContact CD1-CG 4.27Å; Y533-P535 HydrophobicContact CE1-CB 4.26Å; Y533-P535 HydrophobicContact CE1-CG 4.12Å; Y533-P535 WeakPolarHBondContact O-CD 3.19Å; Y533-W540 AromaticContact CD2-CD1 3.92Å; Y533-W540 HydrophobicContact CD2-CD2 4.19Å; Y533-W540 AromaticContact CD2-CE2 3.82Å; Y533-W540 HydrophobicContact CD2-CG 4.24Å; Y533-W540 HydrophobicContact CD2-CZ2 4.34Å; Y533-W540 AromaticContact CD2-NE1 3.64Å; Y533-W540 HydrophobicContact CG-CD2 4.42Å; Y533-W540 HydrophobicContact CG-CZ2 4.14Å
534	D	94.7	Very high	93.8	Very high	20 Å²	20	54.6 Å²	54.6	11%	0.107	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.7	173.9	-170.9	-22.7	0	0	0	110.6	K513 E536 T537 R538 A539	K513-D534 HydrophobicContact CD-CB 3.98Å; K513-D534 WeakPolarHBondContact CE-OD2 3.48Å; K513-D534 HydrophobicContact CG-CB 4.46Å; K513-D534 IonicContact NZ-OD2 3.86Å; K513-D534 PolarHBondContact NZ-OD2 3.49Å; D534-E536 PolarHBondContact O-N 3.46Å; D534-E536 WeakPolarHBondContact OD1-CB 2.87Å; D534-E536 PolarHBondContact OD1-N 3.19Å; D534-T537 WeakPolarHBondContact CB-OG1 3.48Å; D534-T537 PolarHBondContact O-N 3.27Å; D534-R538 VanDerWaalsContact O-CA 3.27Å; D534-R538 WeakPolarHBondContact O-CA 3.32Å; D534-R538 PolarHBondContact O-N 3.45Å; D534-A539 PolarHBondContact N-O 2.81Å; D534-A539 VanDerWaalsContact N-O 3.08Å
535	P	92.4	Very high	94.1	Very high	30 Å²	30	53 Å²	53	20%	0.195	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.5	177.9	-21.1	32.2	0	0	0	114.2	L468 G512 Y533	L468-P535 HydrophobicContact CD2-CG 3.7Å; G512-P535 WeakPolarHBondContact O-CD 3.48Å; Y533-P535 HydrophobicContact CD1-CG 4.27Å; Y533-P535 HydrophobicContact CE1-CB 4.26Å; Y533-P535 HydrophobicContact CE1-CG 4.12Å; Y533-P535 WeakPolarHBondContact O-CD 3.19Å
536	E	91.2	Very high	94.2	Very high	154 Å²	154	47 Å²	47	72%	0.72	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-43.3	-179.3	-62.5	-174.5	175	0	0	111.4	D534	D534-E536 PolarHBondContact O-N 3.46Å; D534-E536 WeakPolarHBondContact OD1-CB 2.87Å; D534-E536 PolarHBondContact OD1-N 3.19Å
537	T	93.6	Very high	94.1	Very high	93 Å²	93	48.6 Å²	48.6	57%	0.571	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.3	178.4	67.2	0	0	0	0	112.8	D534 A539	D534-T537 WeakPolarHBondContact CB-OG1 3.48Å; D534-T537 PolarHBondContact O-N 3.27Å; T537-A539 VanDerWaalsContact C-N 3.29Å; T537-A539 PolarHBondContact O-N 2.92Å
538	R	94.1	Very high	93.9	Very high	175 Å²	175	51 Å²	51	66%	0.66	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	45.4	-172.7	-63.8	-179.7	159.8	163.5	-9.4	112.1	P496 D534	P496-R538 WeakPolarHBondContact CG-O 3.27Å; D534-R538 VanDerWaalsContact O-CA 3.27Å; D534-R538 WeakPolarHBondContact O-CA 3.32Å; D534-R538 PolarHBondContact O-N 3.45Å
539	A	95.9	Very high	93.9	Very high	44 Å²	44	51.2 Å²	51.2	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.3	180	0	0	0	0	0	111.5	D534 T537	D534-A539 PolarHBondContact N-O 2.81Å; D534-A539 VanDerWaalsContact N-O 3.08Å; T537-A539 VanDerWaalsContact C-N 3.29Å; T537-A539 PolarHBondContact O-N 2.92Å
540	W	96.9	Very high	93.9	Very high	23 Å²	23	51 Å²	51	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	143.3	167.3	-69.4	92.7	0	0	0	110	V482 I495 P496 M498 V516 E531 A532 Y533	V482-W540 HydrophobicContact CG2-CZ2 3.97Å; I495-W540 HydrophobicContact CD1-CZ2 4.23Å; P496-W540 PolarHBondContact O-NE1 3.33Å; M498-W540 HydrophobicContact CG-CD2 4.13Å; M498-W540 HydrophobicContact CG-CE3 4.25Å; M498-W540 HydrophobicContact CG-CH2 3.69Å; M498-W540 HydrophobicContact CG-CZ2 3.53Å; M498-W540 HydrophobicContact CG-CZ3 4.05Å; M498-W540 HydrophobicContact SD-CH2 4.18Å; M498-W540 HydrophobicContact SD-CZ2 4.48Å; V516-W540 HydrophobicContact CB-CZ3 4.44Å; V516-W540 HydrophobicContact CG2-CH2 3.8Å; V516-W540 HydrophobicContact CG2-CZ3 3.83Å; E531-W540 HydrophobicContact CB-CE3 4.36Å; E531-W540 HydrophobicContact CG-CE3 3.86Å; E531-W540 HydrophobicContact CG-CZ3 4.12Å; A532-W540 WeakPolarHBondContact O-CA 3.26Å; Y533-W540 AromaticContact CD2-CD1 3.92Å; Y533-W540 HydrophobicContact CD2-CD2 4.19Å; Y533-W540 AromaticContact CD2-CE2 3.82Å; Y533-W540 HydrophobicContact CD2-CG 4.24Å; Y533-W540 HydrophobicContact CD2-CZ2 4.34Å; Y533-W540 AromaticContact CD2-NE1 3.64Å; Y533-W540 HydrophobicContact CG-CD2 4.42Å; Y533-W540 HydrophobicContact CG-CZ2 4.14Å
541	S	95.8	Very high	93.8	Very high	54 Å²	54	51.5 Å²	51.5	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.9	174.7	58	0	0	0	0	110.3	E531 A532 V543	E531-S541 CarbonylContact C-O 3.56Å; E531-S541 VanDerWaalsContact CA-O 3.3Å; E531-S541 WeakPolarHBondContact CA-O 3.47Å; A532-S541 PolarHBondContact N-O 2.89Å; A532-S541 PolarHBondContact O-N 2.93Å; S541-V543 PolarHBondContact O-N 3.32Å
542	V	95	Very high	93.6	Very high	85 Å²	85	59 Å²	59	52%	0.515	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	117.8	171.1	179.1	0	0	0	0	108.2	V529	V529-V542 HydrophobicContact CG1-CG1 4.1Å; V529-V542 HydrophobicContact CG1-CG2 4.16Å
543	V	93.1	Very high	93.5	Very high	44 Å²	44	59.2 Å²	59.2	27%	0.267	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-18.5	-173.2	-69.2	0	0	0	0	112.8	Y307 Y515 V530 A532 S541	Y307-V543 PolarHBondContact OH-O 3.08Å; Y515-V543 HydrophobicContact CD1-CG2 4.05Å; Y515-V543 HydrophobicContact CE1-CG2 3.68Å; V530-V543 HydrophobicContact CB-CG2 4.25Å; V530-V543 HydrophobicContact CG1-CG2 3.78Å; V530-V543 WeakPolarHBondContact O-CG2 3.16Å; V530-V543 PolarHBondContact O-N 2.98Å; A532-V543 HydrophobicContact CB-CG1 3.71Å; A532-V543 HydrophobicContact CB-CG2 4.07Å; S541-V543 PolarHBondContact O-N 3.32Å
544	G	89.9	Confident	93.4	Very high	18 Å²	18	59.4 Å²	59.4	19%	0.186	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-177	179.2	0	0	0	0	0	112.5	V530	V530-G544 PolarHBondContact N-O 3.2Å; V530-G544 PolarHBondContact O-N 2.77Å
545	R	93.5	Very high	93.4	Very high	146 Å²	146	59 Å²	59	55%	0.551	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.4	171.4	-71.8	173.9	176	-84.4	-6.9	108.9	W314 D528	W314-R545 PolarHBondContact NE1-O 3.39Å; D528-R545 CarbonylContact O-C 3.51Å; D528-R545 WeakPolarHBondContact O-CA 3.28Å; D528-R545 IonicContact OD1-CZ 2.74Å; D528-R545 IonicContact OD1-NH1 2.7Å; D528-R545 PolarHBondContact OD1-NH1 3.44Å; D528-R545 WeakPolarHBondContact OD2-CB 3.48Å; D528-R545 VanDerWaalsContact OD2-CD 3.27Å; D528-R545 WeakPolarHBondContact OD2-CD 3.38Å; D528-R545 WeakPolarHBondContact OD2-CG 3.42Å; D528-R545 IonicContact OD2-CZ 3.31Å; D528-R545 IonicContact OD2-NE 2.95Å; D528-R545 IonicContact OD2-NH1 2.92Å; D528-R545 PolarHBondContact OD2-NH1 2.82Å
546	L	93.1	Very high	93.6	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	30%	0.298	C	S	.	.			trans	-59.8	151.1	172.2	-61	-175.3	0	0	0	109.9	L290 W314 D528 V530 E548	L290-L546 HydrophobicContact CD2-CD1 4.31Å; L290-L546 HydrophobicContact CD2-CD2 3.34Å; L290-L546 HydrophobicContact CD2-CG 4.44Å; W314-L546 HydrophobicContact CH2-CD2 3.39Å; W314-L546 HydrophobicContact CZ2-CD2 3.64Å; W314-L546 HydrophobicContact CZ3-CD2 4.38Å; D528-L546 HydrophobicContact CB-CB 4.25Å; D528-L546 WeakPolarHBondContact O-CG 3.42Å; D528-L546 PolarHBondContact O-N 2.87Å; V530-L546 HydrophobicContact CG2-CD2 3.44Å; V530-L546 VanDerWaalsContact CG2-CD2 3.44Å; V530-L546 HydrophobicContact CG2-CG 3.92Å; L546-E548 WeakPolarHBondContact CB-O 3.19Å; L546-E548 PolarHBondContact O-N 3.24Å
547	P	90.9	Very high	93.8	Very high	61 Å²	61	51 Å²	51	40%	0.396	27%	0.265	S	S	.	.	S	Bend	trans	-57.3	-37.4	173.5	-24	35.3	0	0	0	112.3	D305 W314	D305-P547 HydrophobicContact CB-CG 4.43Å; W314-P547 HydrophobicContact CB-CG 4.09Å; W314-P547 HydrophobicContact CD2-CG 3.87Å; W314-P547 HydrophobicContact CE3-CG 3.87Å; W314-P547 HydrophobicContact CG-CG 3.97Å
548	E	89.8	Confident	93.8	Very high	57 Å²	57	46.6 Å²	46.6	27%	0.266	24%	0.238	S	C	.	.	S	Bend	trans	-136.5	148.1	174.5	63.7	-162.2	162	0	0	110	L301 T303 L546 T550	L301-E548 HydrophobicContact CD1-CG 4.38Å; L301-E548 WeakPolarHBondContact CD1-OE1 3.24Å; T303-E548 PolarHBondContact OG1-OE1 3.38Å; L546-E548 WeakPolarHBondContact CB-O 3.19Å; L546-E548 PolarHBondContact O-N 3.24Å; E548-T550 PolarHBondContact O-N 3.21Å; E548-T550 PolarHBondContact O-OG1 2.78Å
549	P	93.2	Very high	93.7	Very high	44 Å²	44	38.8 Å²	38.8	29%	0.286	21%	0.209	S	C	.	.			trans	-63.5	125.2	171.5	-17.3	30.2	0	0	0	110	L526 D528	L526-P549 HydrophobicContact CB-CB 4.29Å; L526-P549 HydrophobicContact CD2-CB 3.82Å; L526-P549 WeakPolarHBondContact CD2-O 3.4Å; L526-P549 HydrophobicContact CG-CB 3.65Å; D528-P549 HydrophobicContact CB-CB 4.43Å; D528-P549 HydrophobicContact CB-CG 4.21Å
550	T	93.3	Very high	93.5	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.049	20%	0.201	C	C	.	.			trans	-139.6	144.6	-172.2	-48.7	0	0	0	0	110.9	C294 L301 G518 G519 E548 H553	C294-T550 VanDerWaalsContact O-CA 3.31Å; C294-T550 WeakPolarHBondContact O-CA 3.45Å; C294-T550 WeakPolarHBondContact O-CG2 3.44Å; L301-T550 HydrophobicContact CD1-CG2 3.69Å; G518-T550 CarbonylContact C-O 3.58Å; G518-T550 VanDerWaalsContact CA-O 3.29Å; G518-T550 WeakPolarHBondContact CA-O 3.27Å; G519-T550 PolarHBondContact N-O 3.36Å; E548-T550 PolarHBondContact O-N 3.21Å; E548-T550 PolarHBondContact O-OG1 2.78Å; T550-H553 HydrophobicContact CG2-CB 3.88Å
551	F	94	Very high	93	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.044	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-128.2	162.2	169.1	70.4	-76.7	0	0	0	111.5	G293 C294 D295 Y520 L526 H553	G293-F551 CarbonylContact C-O 3.51Å; G293-F551 VanDerWaalsContact CA-O 3.29Å; G293-F551 WeakPolarHBondContact CA-O 3.32Å; C294-F551 HydrophobicContact CB-CD1 3.87Å; C294-F551 HydrophobicContact CB-CD2 4.5Å; C294-F551 HydrophobicContact CB-CE1 3.33Å; C294-F551 HydrophobicContact CB-CE2 4.04Å; C294-F551 HydrophobicContact CB-CG 4.43Å; C294-F551 HydrophobicContact CB-CZ 3.42Å; C294-F551 VanDerWaalsContact CB-CZ 3.42Å; C294-F551 PolarHBondContact N-O 3.49Å; C294-F551 VanDerWaalsContact O-CD1 3.27Å; C294-F551 WeakPolarHBondContact O-CD1 3.47Å; C294-F551 PolarHBondContact O-N 3.29Å; D295-F551 WeakPolarHBondContact O-CE1 3.41Å; Y520-F551 HydrophobicContact CD2-CB 4.46Å; Y520-F551 HydrophobicContact CE2-CB 4.11Å; Y520-F551 AromaticContact CE2-CD1 3.96Å; Y520-F551 HydrophobicContact CE2-CD1 3.96Å; Y520-F551 AromaticContact CE2-CD2 3.87Å; Y520-F551 HydrophobicContact CE2-CD2 3.87Å; Y520-F551 HydrophobicContact CE2-CE1 4.32Å; Y520-F551 HydrophobicContact CE2-CE2 4.24Å; Y520-F551 AromaticContact CE2-CG 3.72Å; Y520-F551 HydrophobicContact CE2-CG 3.72Å; Y520-F551 HydrophobicContact CE2-CZ 4.46Å; Y520-F551 WeakPolarHBondContact OH-CE1 3.35Å; L526-F551 HydrophobicContact CD1-CB 3.79Å; L526-F551 HydrophobicContact CD1-CD1 3.73Å; L526-F551 HydrophobicContact CD1-CG 4.16Å; L526-F551 HydrophobicContact CD2-CD1 4.2Å; F551-H553 PolarHBondContact O-N 2.81Å; F551-H553 VanDerWaalsContact O-N 3.08Å
552	W	92.4	Very high	92.2	Very high	157 Å²	157	42.8 Å²	42.8	60%	0.595	21%	0.213	S	C	*	.	S	Bend	trans	55.6	22.1	-177.4	-62.5	-19.8	0	0	0	115.3	Y328 G504	Y328-W552 PolarHBondContact OH-O 2.87Å; G504-W552 WeakPolarHBondContact O-CA 3.3Å; G504-W552 PolarHBondContact O-N 2.7Å
553	H	94.2	Very high	90.8	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.032	23%	0.23	C	C	.	.			trans	-78	149.4	170.8	63.7	-75.1	0	0	0	111.9	L290 G292 S506 S517 T550 F551	L290-H553 VanDerWaalsContact CD2-CD2 3.44Å; L290-H553 WeakPolarHBondContact CD2-CD2 3.38Å; G292-H553 WeakPolarHBondContact O-CB 3.42Å; S506-H553 VanDerWaalsContact CB-NE2 3.26Å; S506-H553 WeakPolarHBondContact CB-NE2 3.15Å; S506-H553 WeakPolarHBondContact CB-O 3.43Å; S506-H553 PolarHBondContact OG-O 3.14Å; S517-H553 PolarHBondContact O-CE1 3.45Å; S517-H553 PolarHBondContact OG-NE2 2.76Å; T550-H553 HydrophobicContact CG2-CB 3.88Å; F551-H553 PolarHBondContact O-N 2.81Å; F551-H553 VanDerWaalsContact O-N 3.08Å
554	G	94.1	Very high	89.1	Confident	10 Å²	10	48.4 Å²	48.4	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.4	167.8	0	0	0	0	0	111.2	L290 V291 Y328 I330	L290-G554 CarbonylContact C-O 3.58Å; L290-G554 VanDerWaalsContact CA-O 3.28Å; L290-G554 WeakPolarHBondContact CA-O 3.37Å; V291-G554 PolarHBondContact N-O 3.47Å; V291-G554 PolarHBondContact O-N 3.17Å; Y328-G554 PolarHBondContact OH-N 2.85Å; I330-G554 VanDerWaalsContact CD1-CA 3.42Å
555	S	95.6	Very high	87.2	Confident	10 Å²	10	54.2 Å²	54.2	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.3	169.9	63.7	0	0	0	0	112.7	V289 I330 S506 L507	V289-S555 WeakPolarHBondContact O-CA 3.25Å; I330-S555 VanDerWaalsContact CD1-N 3.34Å; S506-S555 WeakPolarHBondContact CB-OG 3.25Å; S506-S555 VanDerWaalsContact OG-CB 3.31Å; S506-S555 WeakPolarHBondContact OG-CB 3.4Å; S506-S555 PolarHBondContact OG-N 2.93Å; S506-S555 PolarHBondContact OG-OG 2.88Å; L507-S555 PolarHBondContact N-OG 3.13Å
556	V	96.2	Very high	84.6	Confident	13 Å²	13	53.2 Å²	53.2	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164.9	178.1	-72	0	0	0	0	110.6	V289 I330 A332 I337	V289-V556 HydrophobicContact CB-CG2 4.35Å; V289-V556 PolarHBondContact N-O 3.36Å; V289-V556 PolarHBondContact O-N 3.04Å; I330-V556 HydrophobicContact CD1-CB 4.27Å; I330-V556 HydrophobicContact CD1-CG1 3.64Å; I330-V556 HydrophobicContact CD1-CG2 3.92Å; I330-V556 HydrophobicContact CG1-CG1 3.82Å; A332-V556 HydrophobicContact CB-CB 4.12Å; A332-V556 HydrophobicContact CB-CG1 4.38Å; I337-V556 HydrophobicContact CB-CG2 4.44Å; I337-V556 HydrophobicContact CD1-CG2 3.68Å; I337-V556 HydrophobicContact CG1-CG2 3.79Å; I337-V556 HydrophobicContact CG2-CG2 3.86Å
557	S	94.6	Very high	82.1	Confident	5 Å²	5	59.9 Å²	59.9	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.1	172.3	61.4	0	0	0	0	112.5	E286 I287 V509	E286-S557 PolarHBondContact OE1-OG 2.81Å; I287-S557 WeakPolarHBondContact O-CA 3.24Å; V509-S557 WeakPolarHBondContact O-CB 3.4Å; V509-S557 PolarHBondContact O-OG 3.17Å
558	I	94.3	Very high	79.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.8	173.9	63.1	170	0	0	0	110	E286 I287 V289 A332 N335 I337 Y355	E286-I558 WeakPolarHBondContact CA-O 3.5Å; I287-I558 HydrophobicContact CD1-CD1 4.37Å; I287-I558 HydrophobicContact CD1-CG1 4.05Å; I287-I558 HydrophobicContact CG1-CG1 3.84Å; I287-I558 WeakPolarHBondContact CG1-O 3.19Å; I287-I558 PolarHBondContact N-O 3.35Å; I287-I558 PolarHBondContact O-N 2.54Å; I287-I558 VanDerWaalsContact O-N 3.11Å; V289-I558 HydrophobicContact CG2-CD1 3.88Å; V289-I558 HydrophobicContact CG2-CG1 3.73Å; A332-I558 HydrophobicContact CB-CG2 4.32Å; N335-I558 WeakPolarHBondContact O-CG2 3.5Å; I337-I558 HydrophobicContact CD1-CD1 4.2Å; I337-I558 HydrophobicContact CD1-CG2 4.17Å; I337-I558 HydrophobicContact CG1-CG2 3.72Å; Y355-I558 HydrophobicContact CE1-CD1 4.13Å
559	F	92.7	Very high	76.6	Confident	11 Å²	11	61.9 Å²	61.9	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.3	168.7	-60	-70.8	0	0	0	110.7	F228 F260 R267 P278 L284 A285 E286 N335	F228-F559 HydrophobicContact CE1-CD1 4.35Å; F228-F559 HydrophobicContact CE1-CD2 4.32Å; F228-F559 HydrophobicContact CE1-CE1 4.14Å; F228-F559 HydrophobicContact CE1-CE2 4.09Å; F228-F559 HydrophobicContact CE1-CG 4.44Å; F228-F559 HydrophobicContact CE1-CZ 4.01Å; F228-F559 HydrophobicContact CZ-CE1 4.24Å; F228-F559 HydrophobicContact CZ-CE2 4.36Å; F228-F559 AromaticContact CZ-CZ 3.96Å; F228-F559 HydrophobicContact CZ-CZ 3.96Å; F260-F559 HydrophobicContact CE1-CE2 4.49Å; F260-F559 HydrophobicContact CE2-CE2 4.41Å; F260-F559 AromaticContact CZ-CE2 3.63Å; F260-F559 HydrophobicContact CZ-CE2 3.63Å; F260-F559 HydrophobicContact CZ-CZ 4.19Å; R267-F559 VanDerWaalsContact NH1-CE2 3.27Å; P278-F559 HydrophobicContact CG-CD1 3.89Å; P278-F559 HydrophobicContact CG-CE1 3.87Å; L284-F559 HydrophobicContact CD1-CB 3.83Å; L284-F559 HydrophobicContact CD2-CB 4.48Å; L284-F559 HydrophobicContact CG-CB 4.16Å; A285-F559 CarbonylContact O-C 3.51Å; A285-F559 WeakPolarHBondContact O-CA 3.3Å; E286-F559 HydrophobicContact CB-CD1 3.79Å; E286-F559 HydrophobicContact CB-CE1 3.64Å; E286-F559 HydrophobicContact CG-CD1 3.98Å; E286-F559 HydrophobicContact CG-CE1 3.67Å; E286-F559 HydrophobicContact CG-CZ 4.29Å; N335-F559 PolarHBondContact ND2-O 3.4Å; N335-F559 WeakPolarHBondContact OD1-CA 3.5Å; N335-F559 VanDerWaalsContact OD1-CB 3.3Å; N335-F559 WeakPolarHBondContact OD1-CB 3.38Å; N335-F559 PolarHBondContact OD1-N 2.94Å; N335-F559 PolarHBondContact OD1-O 2.82Å
560	R	90.5	Very high	73.9	Confident	50 Å²	50	63.4 Å²	63.4	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.9	174.3	-168.2	174.6	-172.3	100	-11.7	111	A285 I287 Y355 N360 F562	A285-R560 PolarHBondContact N-O 2.99Å; A285-R560 PolarHBondContact O-N 2.89Å; I287-R560 HydrophobicContact CD1-CB 3.47Å; I287-R560 VanDerWaalsContact CD1-CB 3.47Å; I287-R560 HydrophobicContact CD1-CG 4.22Å; I287-R560 HydrophobicContact CG1-CB 4.1Å; Y355-R560 PolarHBondContact OH-NH1 3.02Å; N360-R560 PolarHBondContact OD1-NH2 3.12Å; N360-R560 VanDerWaalsContact OD1-NH2 3.08Å; R560-F562 HydrophobicContact CB-CE2 3.95Å; R560-F562 HydrophobicContact CB-CZ 4.11Å; R560-F562 HydrophobicContact CG-CE2 4.38Å; R560-F562 HydrophobicContact CG-CZ 4.21Å; R560-F562 WeakPolarHBondContact O-CD2 3.45Å
561	Q	86.8	Confident	70.8	Confident	131 Å²	131	74 Å²	74	61%	0.612	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.9	173.7	-171.4	164.9	31.1	0	0	109.4	T282 L284	T282-Q561 PolarHBondContact O-NE2 2.77Å; L284-Q561 HydrophobicContact CD1-CB 4.38Å
562	F	79.8	Confident	67.8	Low	23 Å²	23	77.2 Å²	77.2	10%	0.101	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-100.2	155.1	167.6	-62.8	-79.9	0	0	0	108.8	G283 A285 I287 R560 P564	G283-F562 PolarHBondContact O-N 2.67Å; A285-F562 HydrophobicContact CB-CD2 4.07Å; A285-F562 HydrophobicContact CB-CE2 4.12Å; I287-F562 HydrophobicContact CD1-CZ 4.37Å; I287-F562 HydrophobicContact CG2-CE2 3.52Å; I287-F562 HydrophobicContact CG2-CZ 3.69Å; R560-F562 HydrophobicContact CB-CE2 3.95Å; R560-F562 HydrophobicContact CB-CZ 4.11Å; R560-F562 HydrophobicContact CG-CE2 4.38Å; R560-F562 HydrophobicContact CG-CZ 4.21Å; R560-F562 WeakPolarHBondContact O-CD2 3.45Å; F562-P564 WeakPolarHBondContact O-CD 2.9Å; F562-P564 VanDerWaalsContact O-N 3.16Å
563	M	64.8	Low	64.7	Low	178 Å²	178	78.7 Å²	78.7	88%	0.877	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-54.7	127.5	163.8	-75.6	-146.6	-160.4	0	0	107.3	Q565	M563-Q565 PolarHBondContact O-N 3.19Å
564	P	57.2	Low	61.4	Low	70 Å²	70	87.7 Å²	87.7	46%	0.455	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-51.4	133.5	172.7	-20.1	29.5	0	0	0	106.9	F562 T566	F562-P564 WeakPolarHBondContact O-CD 2.9Å; F562-P564 VanDerWaalsContact O-N 3.16Å; P564-T566 VanDerWaalsContact C-N 3.28Å; P564-T566 PolarHBondContact O-N 3.32Å
565	Q	50.2	Low	58.2	Low	139 Å²	139	95 Å²	95	65%	0.65	52%	0.518	S	S	*	.			trans	-57.1	107.2	165.4	-70.1	-164.2	4.2	0	0	105.3	M563 F567	M563-Q565 PolarHBondContact O-N 3.19Å; Q565-F567 VanDerWaalsContact C-N 3.27Å; Q565-F567 PolarHBondContact O-N 3.23Å
566	T	38.6	Very low	55	Low	125 Å²	125	102.2 Å²	102.2	77%	0.767	56%	0.556	S	S	*	*			trans	-58.1	104.4	170.2	46	0	0	0	0	104.2	P564 S568	P564-T566 VanDerWaalsContact C-N 3.28Å; P564-T566 PolarHBondContact O-N 3.32Å; T566-S568 PolarHBondContact O-N 3.42Å
567	F	40.8	Very low	51.8	Low	149 Å²	149	107 Å²	107	65%	0.654	59%	0.59	S	S	*	*			trans	-63.5	90.2	163.2	-79	-86.2	0	0	0	104.4	R163 Q565 G569	R163-F567 VanDerWaalsContact NH2-CB 3.28Å; R163-F567 PolarHBondContact NH2-O 3.49Å; Q565-F567 VanDerWaalsContact C-N 3.27Å; Q565-F567 PolarHBondContact O-N 3.23Å; F567-G569 PolarHBondContact O-N 2.82Å
568	S	32.9	Very low	48.6	Very low	107 Å²	107	110 Å²	110	75%	0.748	62%	0.622	S	S	*	*			trans	-61.9	94	170.7	53.3	0	0	0	0	106	T566 G570	T566-S568 PolarHBondContact O-N 3.42Å; S568-G570 PolarHBondContact O-N 3.18Å
569	G	32.3	Very low	45.4	Very low	53 Å²	53	115.5 Å²	115.5	55%	0.546	66%	0.661	S	S	.	*			trans	-57.4	123	153.7	0	0	0	0	0	105.6	F567 R571	F567-G569 PolarHBondContact O-N 2.82Å; G569-R571 PolarHBondContact O-N 3.22Å
570	G	36	Very low	42.5	Very low	76 Å²	76	122.6 Å²	122.6	78%	0.784	70%	0.699	S	S	*	*	S	Bend	trans	-51.7	111.8	-174.2	0	0	0	0	0	111.6	S568	S568-G570 PolarHBondContact O-N 3.18Å
571	R	28.9	Very low	39.6	Very low	230 Å²	230	128.1 Å²	128.1	87%	0.868	73%	0.732	S	S	*	*			trans	-158.6	107.2	142.5	-100.4	175.8	-162.9	-149.3	4.1	105.5	G569 F573	G569-R571 PolarHBondContact O-N 3.22Å; R571-F573 PolarHBondContact O-N 2.6Å
572	G	31.1	Very low	37	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	75%	0.746	S	S	*	*			trans	-56.9	120.3	173.5	0	0	0	0	0	109.7
573	F	26.4	Very low	34.6	Very low	188 Å²	188	136.4 Å²	136.4	83%	0.825	78%	0.778	S	S	*	*			trans	-125.8	98.9	148.5	-91.2	-83.5	0	0	0	105.2	R571 L575	R571-F573 PolarHBondContact O-N 2.6Å; F573-L575 PolarHBondContact O-N 3.36Å; F573-L575 VanDerWaalsContact O-N 3.14Å
574	E	25.3	Very low	33.1	Very low	196 Å²	196	134 Å²	134	92%	0.916	78%	0.776	S	S	*	*			trans	-59	109	160	-73.1	174.5	157	0	0	106.7
575	L	27.6	Very low	32.2	Very low	164 Å²	164	133.3 Å²	133.3	86%	0.859	78%	0.782	S	S	*	*			trans	-93.2	99.4	158.6	-90.1	157.7	0	0	0	106.1	F573 S577	F573-L575 PolarHBondContact O-N 3.36Å; F573-L575 VanDerWaalsContact O-N 3.14Å; L575-S577 PolarHBondContact O-N 3.45Å; L575-S577 VanDerWaalsContact O-N 3.15Å
576	D	29	Very low	31.2	Very low	161 Å²	161	138 Å²	138	86%	0.861	79%	0.793	S	S	*	*			trans	-56.4	105.6	168.2	-149.9	8.5	0	0	0	108.6
577	S	29.1	Very low	30.9	Very low	112 Å²	112	138 Å²	138	78%	0.783	80%	0.796	S	S	*	*			trans	-119.3	81.5	164.6	66.8	0	0	0	0	108.2	L575	L575-S577 PolarHBondContact O-N 3.45Å; L575-S577 VanDerWaalsContact O-N 3.15Å
578	G	26.4	Very low	30.7	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	81%	0.807	S	S	*	*			trans	-66.4	124.9	166.1	0	0	0	0	0	111.1
579	S	28	Very low	30.7	Very low	115 Å²	115	142.6 Å²	142.6	80%	0.804	81%	0.807	S	S	*	*			trans	-161.5	77.2	138.7	62.1	0	0	0	0	108.3
580	N	30.7	Very low	30.9	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	82%	0.82	S	S	*	*			trans	-74.2	109.5	153	-102.4	-10	0	0	0	106.6
581	D	29.5	Very low	31.1	Very low	166 Å²	166	153.9 Å²	153.9	89%	0.888	83%	0.826	S	S	*	*			trans	-146	83.1	151.7	-98.8	-23.4	0	0	0	107.2
582	M	31.7	Very low	31.5	Very low	184 Å²	184	150.4 Å²	150.4	91%	0.906	83%	0.825	S	S	*	*			trans	-103.7	98.2	161.4	-85.8	-86.1	-95	0	0	106.8	P584	M582-P584 WeakPolarHBondContact O-CD 3.07Å
583	D	29.5	Very low	32.1	Very low	144 Å²	144	152.1 Å²	152.1	77%	0.77	82%	0.821	S	S	*	*			trans	-66.4	115.1	169.6	-171.2	13.6	0	0	0	109.4	G585	D583-G585 PolarHBondContact O-N 3.09Å
584	P	34.3	Very low	32.7	Very low	128 Å²	128	150.7 Å²	150.7	83%	0.831	82%	0.823	S	S	*	*			trans	-89.4	83.5	-178.5	34.6	-28.3	0	0	0	109	M582	M582-P584 WeakPolarHBondContact O-CD 3.07Å
585	G	37.6	Very low	33.2	Very low	56 Å²	56	150.9 Å²	150.9	58%	0.577	82%	0.823	S	S	*	*			trans	173.7	66.7	178.8	0	0	0	0	0	117.6	D583	D583-G585 PolarHBondContact O-N 3.09Å
586	R	30.7	Very low	33.7	Very low	238 Å²	238	151.1 Å²	151.1	90%	0.898	82%	0.824	S	S	*	*			trans	-140.7	133.1	149.6	-77.6	-166	178.8	-169.3	-0.7	111.7
587	P	31.6	Very low	34	Very low	125 Å²	125	156.2 Å²	156.2	81%	0.812	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-76.2	150.9	-178.8	31.8	-32.4	0	0	0	111.4
588	R	35.8	Very low	34.3	Very low	235 Å²	235	158.5 Å²	158.5	89%	0.887	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-56.4	143.7	171.3	-67.1	177.2	178.2	-178	-3	110.4
589	P	32.8	Very low	34.7	Very low	117 Å²	117	163.1 Å²	163.1	76%	0.76	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-68.8	145.1	169.2	30.2	-31.3	0	0	0	109.7
590	P	37.1	Very low	35.1	Very low	127 Å²	127	165.8 Å²	165.8	83%	0.825	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-71.9	144.4	-179.3	28.5	-31.4	0	0	0	111.4
591	R	40.3	Very low	35.3	Very low	239 Å²	239	166.2 Å²	166.2	90%	0.902	86%	0.855	S	S	*	*	S	Bend	trans	-76.2	146.8	163.1	-74	178.6	171.9	178.5	-5.2	108.6
592	D	36.7	Very low	35.7	Very low	157 Å²	157	166.2 Å²	166.2	84%	0.84	85%	0.853	S	S	*	*			trans	83.4	122.1	175.1	-66	-33.6	0	0	0	119.9
593	P	44.8	Very low	36	Very low	113 Å²	113	165 Å²	165	73%	0.734	85%	0.85	S	S	*	*			trans	-103.1	84.8	170.4	37	-23.4	0	0	0	109.5
594	D	39.6	Very low	36.4	Very low	159 Å²	159	166.5 Å²	166.5	85%	0.85	86%	0.855	S	S	*	*			trans	-169.8	90.4	160.5	-95.6	-27.5	0	0	0	109.4
595	E	34.9	Very low	36.6	Very low	199 Å²	199	169.5 Å²	169.5	93%	0.93	86%	0.857	S	S	*	*			trans	-175.8	82.6	148.5	-104.2	178	-164.3	0	0	108.8
596	L	37.8	Very low	36.5	Very low	169 Å²	169	178.9 Å²	178.9	89%	0.885	88%	0.881	S	S	*	*			trans	-123.6	87.1	160.6	-100.6	161	0	0	0	107
597	H	36	Very low	37	Very low	269 Å²	269	173.5 Å²	173.5	100%	1.245	88%	0.879	S	S	*	*			trans	-159.9	0	143.3	-98.2	-48.7	0	0	0	112.5

Retrieved 597 of 597 residues in 155.5 ms (Link to these results)

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