A0A087Y6U9_POEFO Loading...

Tyrosyl-DNA phosphodiesterase 2

AlphaFold DB , UniProt , Accession A0A087Y6U9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	43	Very low	40.5	Very low	198 Å²	198	150 Å²	150	100%	1.215	88%	0.877	S	S	*	*				0	92.3	0	-23.8	0	0	0	0	106.9
2	T	35.6	Very low	41.4	Very low	145 Å²	145	146.3 Å²	146.3	89%	0.89	87%	0.866	S	S	*	*			trans	-132	130.8	-170.1	-38.6	0	0	0	0	108.5
3	K	36.6	Very low	42.2	Very low	206 Å²	206	143 Å²	143	90%	0.896	85%	0.851	S	S	*	*			trans	-62.4	147.3	-167.4	-79.4	174	167.9	178.7	0	114.1
4	M	44.1	Very low	43.1	Very low	189 Å²	189	136.4 Å²	136.4	93%	0.931	82%	0.815	S	S	*	*			trans	-62.5	148.4	160	-72.6	-160.5	-94.2	0	0	112.1
5	A	35.7	Very low	44	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	81%	0.806	S	S	*	*			trans	-149.9	110	147.9	0	0	0	0	0	109.4
6	S	40.6	Very low	44.8	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	78%	0.784	S	S	*	*			trans	-85.1	123.8	165.1	51.1	0	0	0	0	109
7	T	37.3	Very low	45.7	Very low	136 Å²	136	128 Å²	128	83%	0.834	77%	0.766	S	S	*	*			trans	-104.1	107.3	169.1	37.4	0	0	0	0	109.7
8	S	40.1	Very low	46.8	Very low	112 Å²	112	123.4 Å²	123.4	78%	0.783	74%	0.739	S	S	*	*			trans	-99.3	109.7	159.5	54.6	0	0	0	0	108.1
9	N	39.1	Very low	47.8	Very low	149 Å²	149	123.7 Å²	123.7	80%	0.797	73%	0.732	S	S	*	*			trans	-80	120.2	170.7	-96.6	2.2	0	0	0	109.5
10	S	45.6	Very low	48.5	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	73%	0.73	S	S	*	*			trans	-108.9	104.5	159.3	57.6	0	0	0	0	107.7	S12	S10-S12 PolarHBondContact O-N 3.5Å
11	E	48.5	Very low	49.8	Very low	182 Å²	182	123.1 Å²	123.1	85%	0.85	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-74.5	120.5	176.7	-75.2	179.3	161.2	0	0	110.3
12	S	50.6	Low	51.8	Low	106 Å²	106	118.8 Å²	118.8	74%	0.741	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-81.6	136.9	165.5	53.7	0	0	0	0	109.7	S10	S10-S12 PolarHBondContact O-N 3.5Å
13	P	52	Low	54	Low	103 Å²	103	115 Å²	115	67%	0.669	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-62.4	143.2	-177.2	24.2	-31.8	0	0	0	112	V18	P13-V18 HydrophobicContact CB-CG2 4.4Å; P13-V18 HydrophobicContact CG-CG2 4.47Å
14	S	54.3	Low	56.2	Low	51 Å²	51	106.9 Å²	106.9	36%	0.357	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-73.4	150.7	-178.9	84.6	0	0	0	0	111.5	S16 D17 V18	S14-S16 PolarHBondContact O-N 2.59Å; S14-S16 PolarHBondContact OG-OG 2.91Å; S14-S16 VanDerWaalsContact OG-OG 3.09Å; S14-D17 WeakPolarHBondContact CB-OD2 3.48Å; S14-D17 PolarHBondContact O-N 3.09Å; S14-D17 PolarHBondContact OG-OD2 2.99Å; S14-V18 PolarHBondContact O-N 2.91Å
15	V	57.3	Low	58.1	Low	112 Å²	112	99.8 Å²	99.8	68%	0.679	60%	0.601	S	S	*	*	H	α-helix	trans	-56.2	-35.4	-177.2	-180	0	0	0	0	112.2	D17 V18 E19	V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.17Å; V15-V18 PolarHBondContact O-N 3.47Å; V15-E19 PolarHBondContact O-N 3.32Å; V15-E19 VanDerWaalsContact O-N 3.15Å
16	S	56	Low	60.4	Low	64 Å²	64	95.6 Å²	95.6	45%	0.448	57%	0.566	S	S	.	*	H	α-helix	trans	-70.8	-26.2	178	52.8	0	0	0	0	114.2	S14 K20	S14-S16 PolarHBondContact O-N 2.59Å; S14-S16 PolarHBondContact OG-OG 2.91Å; S14-S16 VanDerWaalsContact OG-OG 3.09Å; S16-K20 WeakPolarHBondContact O-CG 3.5Å; S16-K20 PolarHBondContact O-N 3.25Å
17	D	60.9	Low	62.4	Low	90 Å²	90	95.8 Å²	95.8	48%	0.481	55%	0.554	S	S	.	*	H	α-helix	trans	-78.6	-35.3	177.6	-61.4	-39.4	0	0	0	110.7	S14 V15 S21	S14-D17 WeakPolarHBondContact CB-OD2 3.48Å; S14-D17 PolarHBondContact O-N 3.09Å; S14-D17 PolarHBondContact OG-OD2 2.99Å; V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.17Å; D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 3.04Å
18	V	65.4	Low	64.4	Low	46 Å²	46	94.2 Å²	94.2	28%	0.279	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-42.7	175.1	-179.5	0	0	0	0	111	P13 S14 V15 S21 R22	P13-V18 HydrophobicContact CB-CG2 4.4Å; P13-V18 HydrophobicContact CG-CG2 4.47Å; S14-V18 PolarHBondContact O-N 2.91Å; V15-V18 PolarHBondContact O-N 3.47Å; V18-S21 PolarHBondContact O-N 2.83Å; V18-R22 HydrophobicContact CG1-CG 4.39Å; V18-R22 VanDerWaalsContact O-CB 3.31Å; V18-R22 WeakPolarHBondContact O-CB 3.19Å; V18-R22 WeakPolarHBondContact O-CG 3.31Å; V18-R22 PolarHBondContact O-N 2.73Å
19	E	64.7	Low	66.6	Low	129 Å²	129	88.9 Å²	88.9	60%	0.603	50%	0.5	S	S	*	.	H	α-helix	trans	-65	-41.6	178	-74.5	177.8	166.1	0	0	112.8	V15 R22 S23	V15-E19 PolarHBondContact O-N 3.32Å; V15-E19 VanDerWaalsContact O-N 3.15Å; E19-R22 PolarHBondContact O-N 3.38Å; E19-S23 PolarHBondContact O-N 2.78Å
20	K	63.5	Low	68.5	Low	158 Å²	158	82.4 Å²	82.4	69%	0.687	47%	0.467	S	S	*	.	H	α-helix	trans	-65.5	-41.5	174.7	-75.8	178.3	-178.9	175.2	0	112.2	S16 R22 S23 G24	S16-K20 WeakPolarHBondContact O-CG 3.5Å; S16-K20 PolarHBondContact O-N 3.25Å; K20-R22 VanDerWaalsContact C-N 3.31Å; K20-R22 PolarHBondContact O-N 2.74Å; K20-S23 PolarHBondContact O-N 2.85Å; K20-G24 PolarHBondContact O-N 3.27Å
21	S	75.1	Confident	69.9	Low	77 Å²	77	82.4 Å²	82.4	54%	0.538	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-39.5	176.1	-171.6	0	0	0	0	111.7	D17 V18 L25	D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 3.04Å; V18-S21 PolarHBondContact O-N 2.83Å; S21-L25 WeakPolarHBondContact O-CG 3.32Å; S21-L25 PolarHBondContact O-N 2.92Å
22	R	84.1	Confident	71	Confident	107 Å²	107	76.9 Å²	76.9	40%	0.404	44%	0.438	S	S	.	.	H	α-helix	trans	-71	-40.2	179.2	-77.1	-178.6	166.8	164.7	-2.2	112.9	V18 E19 K20 G24 L25 C26 W49	V18-R22 HydrophobicContact CG1-CG 4.39Å; V18-R22 VanDerWaalsContact O-CB 3.31Å; V18-R22 WeakPolarHBondContact O-CB 3.19Å; V18-R22 WeakPolarHBondContact O-CG 3.31Å; V18-R22 PolarHBondContact O-N 2.73Å; E19-R22 PolarHBondContact O-N 3.38Å; K20-R22 VanDerWaalsContact C-N 3.31Å; K20-R22 PolarHBondContact O-N 2.74Å; R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 3.44Å; R22-L25 PolarHBondContact O-N 3.39Å; R22-C26 PolarHBondContact O-N 3.48Å; R22-C26 PolarHBondContact O-SG 3.2Å; R22-C26 VanDerWaalsContact O-SG 3.41Å; R22-W49 HydrophobicContact CB-CD2 4.48Å; R22-W49 HydrophobicContact CB-CE3 3.84Å; R22-W49 HydrophobicContact CB-CH2 3.55Å; R22-W49 HydrophobicContact CB-CZ2 4.24Å; R22-W49 HydrophobicContact CB-CZ3 3.33Å; R22-W49 VanDerWaalsContact CD-CZ2 3.49Å; R22-W49 HydrophobicContact CG-CD2 3.71Å; R22-W49 HydrophobicContact CG-CE3 3.49Å; R22-W49 VanDerWaalsContact CG-CE3 3.49Å; R22-W49 HydrophobicContact CG-CH2 3.73Å; R22-W49 HydrophobicContact CG-CZ2 3.95Å; R22-W49 HydrophobicContact CG-CZ3 3.51Å; R22-W49 VanDerWaalsContact NE-CE2 3.28Å; R22-W49 WeakPolarHBondContact O-CZ3 3.26Å
23	S	83.2	Confident	72	Confident	66 Å²	66	72.3 Å²	72.3	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-41.1	174.7	-165.2	0	0	0	0	111.9	E19 K20 C26 E27	E19-S23 PolarHBondContact O-N 2.78Å; K20-S23 PolarHBondContact O-N 2.85Å; S23-C26 PolarHBondContact O-N 2.73Å; S23-E27 PolarHBondContact O-N 3.15Å; S23-E27 VanDerWaalsContact O-N 3.11Å
24	G	82.5	Confident	73.1	Confident	35 Å²	35	70.6 Å²	70.6	36%	0.361	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.3	0	0	0	0	0	113	K20 R22 C26 E27 E28	K20-G24 PolarHBondContact O-N 3.27Å; R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 3.44Å; G24-C26 PolarHBondContact O-N 2.94Å; G24-E27 PolarHBondContact O-N 3.47Å; G24-E28 WeakPolarHBondContact O-CB 3.46Å; G24-E28 PolarHBondContact O-N 3.37Å
25	L	83	Confident	74.3	Confident	39 Å²	39	69.8 Å²	69.8	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-40.6	174.4	-68.8	169	0	0	0	111.8	S21 R22 E27 E28 F29 L44 W49 M51	S21-L25 WeakPolarHBondContact O-CG 3.32Å; S21-L25 PolarHBondContact O-N 2.92Å; R22-L25 PolarHBondContact O-N 3.39Å; L25-E27 PolarHBondContact O-N 2.99Å; L25-E28 PolarHBondContact O-N 3.23Å; L25-F29 VanDerWaalsContact O-CB 3.24Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 PolarHBondContact O-N 3.45Å; L25-L44 HydrophobicContact CB-CD1 3.97Å; L25-L44 HydrophobicContact CB-CD2 4.46Å; L25-W49 HydrophobicContact CD1-CB 4.45Å; L25-W49 HydrophobicContact CD1-CE3 4.2Å; L25-M51 HydrophobicContact CB-CE 4.07Å; L25-M51 HydrophobicContact CD2-CE 3.65Å; L25-M51 HydrophobicContact CG-CE 4.49Å; L25-M51 WeakPolarHBondContact O-CE 3.31Å
26	C	84.9	Confident	75.6	Confident	11 Å²	11	68.9 Å²	68.9	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-38.4	176.7	-68.8	0	0	0	0	112.7	R22 S23 G24 A30 A40 L44	R22-C26 PolarHBondContact O-N 3.48Å; R22-C26 PolarHBondContact O-SG 3.2Å; R22-C26 VanDerWaalsContact O-SG 3.41Å; S23-C26 PolarHBondContact O-N 2.73Å; G24-C26 PolarHBondContact O-N 2.94Å; C26-A30 WeakPolarHBondContact O-CB 3.4Å; C26-A30 PolarHBondContact O-N 2.96Å; C26-A40 HydrophobicContact CB-CB 4.19Å; C26-A40 WeakPolarHBondContact O-CB 2.97Å; C26-L44 HydrophobicContact CB-CD1 4.33Å
27	E	82.6	Confident	76.8	Confident	120 Å²	120	69 Å²	69	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-68.2	-43.9	177	-74.9	177.5	-169.5	0	0	112.2	S23 G24 L25 A30 T31	S23-E27 PolarHBondContact O-N 3.15Å; S23-E27 VanDerWaalsContact O-N 3.11Å; G24-E27 PolarHBondContact O-N 3.47Å; L25-E27 PolarHBondContact O-N 2.99Å; E27-A30 PolarHBondContact O-N 3.11Å; E27-T31 WeakPolarHBondContact O-CB 3.49Å; E27-T31 PolarHBondContact O-N 3.32Å; E27-T31 PolarHBondContact O-OG1 2.93Å
28	E	79.1	Confident	77.7	Confident	104 Å²	104	67.6 Å²	67.6	49%	0.486	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-46.6	176.7	178.1	175	-163.6	0	0	111	G24 L25 T31 I32 M51	G24-E28 WeakPolarHBondContact O-CB 3.46Å; G24-E28 PolarHBondContact O-N 3.37Å; L25-E28 PolarHBondContact O-N 3.23Å; E28-T31 WeakPolarHBondContact O-CB 3.47Å; E28-T31 PolarHBondContact O-N 2.71Å; E28-I32 HydrophobicContact CG-CD1 3.87Å; E28-I32 VanDerWaalsContact O-CG1 3.3Å; E28-I32 WeakPolarHBondContact O-CG1 3.26Å; E28-I32 PolarHBondContact O-N 3.3Å; E28-M51 HydrophobicContact CB-CE 3.74Å; E28-M51 HydrophobicContact CG-CE 3.72Å
29	F	85.3	Confident	78.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-57.4	-53.7	174.9	-178	-75.9	0	0	0	111.2	L25 T31 I32 T33 A40 Y43 L44 M51 A54 I55 F58	L25-F29 VanDerWaalsContact O-CB 3.24Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 PolarHBondContact O-N 3.45Å; F29-T31 PolarHBondContact O-N 2.91Å; F29-I32 PolarHBondContact O-N 2.97Å; F29-T33 HydrophobicContact CD1-CG2 3.76Å; F29-T33 HydrophobicContact CD2-CG2 4.48Å; F29-T33 HydrophobicContact CE1-CG2 3.46Å; F29-T33 VanDerWaalsContact CE1-CG2 3.46Å; F29-T33 HydrophobicContact CE2-CG2 4.22Å; F29-T33 HydrophobicContact CG-CG2 4.28Å; F29-T33 HydrophobicContact CZ-CG2 3.73Å; F29-T33 WeakPolarHBondContact O-CG2 3.26Å; F29-T33 PolarHBondContact O-N 3.3Å; F29-T33 PolarHBondContact O-OG1 3.42Å; F29-A40 HydrophobicContact CB-CB 4.02Å; F29-A40 VanDerWaalsContact CD1-CA 3.45Å; F29-A40 HydrophobicContact CD1-CB 3.34Å; F29-A40 HydrophobicContact CE1-CB 4.04Å; F29-A40 HydrophobicContact CG-CB 3.92Å; F29-Y43 HydrophobicContact CZ-CD2 4.37Å; F29-Y43 HydrophobicContact CZ-CG 4.07Å; F29-L44 HydrophobicContact CB-CD1 4Å; F29-L44 HydrophobicContact CD2-CD1 4.47Å; F29-L44 HydrophobicContact CD2-CD2 4.33Å; F29-L44 HydrophobicContact CD2-CG 4.12Å; F29-L44 HydrophobicContact CG-CD1 4.38Å; F29-L44 HydrophobicContact CG-CG 4.49Å; F29-M51 HydrophobicContact CB-CE 4.15Å; F29-M51 HydrophobicContact CB-SD 3.8Å; F29-M51 HydrophobicContact CD2-SD 3.97Å; F29-M51 HydrophobicContact CG-SD 4.39Å; F29-A54 HydrophobicContact CD2-CB 4.11Å; F29-A54 VanDerWaalsContact CE2-C 3.5Å; F29-A54 HydrophobicContact CE2-CB 3.7Å; F29-I55 HydrophobicContact CD2-CG1 3.65Å; F29-I55 HydrophobicContact CE2-CB 4.45Å; F29-I55 HydrophobicContact CE2-CG1 3.81Å; F29-F58 HydrophobicContact CE1-CB 4.48Å; F29-F58 HydrophobicContact CE1-CG 4.4Å; F29-F58 HydrophobicContact CE2-CB 4.44Å; F29-F58 HydrophobicContact CZ-CB 3.65Å; F29-F58 HydrophobicContact CZ-CD2 4.49Å; F29-F58 HydrophobicContact CZ-CG 4.03Å
30	A	78.9	Confident	79.2	Confident	13 Å²	13	61.5 Å²	61.5	11%	0.107	37%	0.365	C	S	.	.	H	α-helix	trans	-56.9	-35.4	-179.5	0	0	0	0	0	112.2	C26 E27 G34 T35 A40	C26-A30 WeakPolarHBondContact O-CB 3.4Å; C26-A30 PolarHBondContact O-N 2.96Å; E27-A30 PolarHBondContact O-N 3.11Å; A30-G34 CarbonylContact O-C 3.58Å; A30-G34 VanDerWaalsContact O-CA 3.3Å; A30-G34 WeakPolarHBondContact O-CA 3.05Å; A30-G34 PolarHBondContact O-N 3.01Å; A30-T35 VanDerWaalsContact CB-O 3.29Å; A30-T35 WeakPolarHBondContact CB-O 3.45Å; A30-T35 PolarHBondContact O-N 3.5Å; A30-A40 HydrophobicContact CB-CB 4.26Å
31	T	76.8	Confident	80.2	Confident	118 Å²	118	59.3 Å²	59.3	72%	0.724	36%	0.357	S	S	*	.	H	α-helix	trans	-68.3	-42.5	175.7	-58.3	0	0	0	0	111.9	E27 E28 F29	E27-T31 WeakPolarHBondContact O-CB 3.49Å; E27-T31 PolarHBondContact O-N 3.32Å; E27-T31 PolarHBondContact O-OG1 2.93Å; E28-T31 WeakPolarHBondContact O-CB 3.47Å; E28-T31 PolarHBondContact O-N 2.71Å; F29-T31 PolarHBondContact O-N 2.91Å
32	I	70.3	Confident	80.6	Confident	65 Å²	65	59 Å²	59	33%	0.333	35%	0.354	S	S	.	.	H	α-helix	trans	-71.1	-41.2	-179.4	-65.8	163.6	0	0	0	111.3	E28 F29 I55 S93 I95	E28-I32 HydrophobicContact CG-CD1 3.87Å; E28-I32 VanDerWaalsContact O-CG1 3.3Å; E28-I32 WeakPolarHBondContact O-CG1 3.26Å; E28-I32 PolarHBondContact O-N 3.3Å; F29-I32 PolarHBondContact O-N 2.97Å; I32-I55 HydrophobicContact CB-CD1 4.31Å; I32-I55 HydrophobicContact CD1-CD1 3.7Å; I32-I55 HydrophobicContact CG2-CD1 3.95Å; I32-S93 PolarHBondContact O-OG 3.11Å; I32-I95 HydrophobicContact CG2-CD1 4.3Å
33	T	72.4	Confident	80.4	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-88.4	-14.2	-175.7	60.5	0	0	0	0	113.9	F29 T35 F58 F59	F29-T33 HydrophobicContact CD1-CG2 3.76Å; F29-T33 HydrophobicContact CD2-CG2 4.48Å; F29-T33 HydrophobicContact CE1-CG2 3.46Å; F29-T33 VanDerWaalsContact CE1-CG2 3.46Å; F29-T33 HydrophobicContact CE2-CG2 4.22Å; F29-T33 HydrophobicContact CG-CG2 4.28Å; F29-T33 HydrophobicContact CZ-CG2 3.73Å; F29-T33 WeakPolarHBondContact O-CG2 3.26Å; F29-T33 PolarHBondContact O-N 3.3Å; F29-T33 PolarHBondContact O-OG1 3.42Å; T33-T35 VanDerWaalsContact C-N 3.25Å; T33-T35 PolarHBondContact O-N 2.63Å; T33-T35 PolarHBondContact OG1-N 2.63Å; T33-T35 PolarHBondContact OG1-OG1 3.25Å; T33-F58 HydrophobicContact CG2-CD1 3.48Å; T33-F58 VanDerWaalsContact CG2-CD1 3.48Å; T33-F58 HydrophobicContact CG2-CE1 3.86Å; T33-F58 HydrophobicContact CG2-CG 4.1Å; T33-F59 HydrophobicContact CG2-CE2 3.76Å; T33-F59 HydrophobicContact CG2-CZ 4.13Å
34	G	74.6	Confident	80.4	Confident	67 Å²	67	53 Å²	53	69%	0.691	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	22.3	-173.2	0	0	0	0	0	113.7	A30	A30-G34 CarbonylContact O-C 3.58Å; A30-G34 VanDerWaalsContact O-CA 3.3Å; A30-G34 WeakPolarHBondContact O-CA 3.05Å; A30-G34 PolarHBondContact O-N 3.01Å
35	T	80.8	Confident	80.5	Confident	34 Å²	34	53.9 Å²	53.9	21%	0.209	33%	0.325	C	S	.	.			trans	-101.1	174.4	-179.4	64	0	0	0	0	112.6	A30 T33 V39 F58	A30-T35 VanDerWaalsContact CB-O 3.29Å; A30-T35 WeakPolarHBondContact CB-O 3.45Å; A30-T35 PolarHBondContact O-N 3.5Å; T33-T35 VanDerWaalsContact C-N 3.25Å; T33-T35 PolarHBondContact O-N 2.63Å; T33-T35 PolarHBondContact OG1-N 2.63Å; T33-T35 PolarHBondContact OG1-OG1 3.25Å; T35-V39 HydrophobicContact CG2-CG1 4.12Å; T35-F58 HydrophobicContact CG2-CD2 4.39Å; T35-F58 HydrophobicContact CG2-CE1 4.08Å; T35-F58 HydrophobicContact CG2-CE2 3.42Å; T35-F58 VanDerWaalsContact CG2-CE2 3.42Å; T35-F58 HydrophobicContact CG2-CZ 3.22Å
36	D	82.8	Confident	80.4	Confident	94 Å²	94	58.4 Å²	58.4	50%	0.503	35%	0.345	S	S	.	.			trans	-79.7	163.3	168.4	67	66.3	0	0	0	112.4	A38 V39 A40	D36-A38 PolarHBondContact O-N 2.91Å; D36-A38 WeakPolarHBondContact OD1-CA 3.29Å; D36-A38 VanDerWaalsContact OD1-CB 3.28Å; D36-A38 WeakPolarHBondContact OD1-CB 3.41Å; D36-A38 PolarHBondContact OD1-N 3.42Å; D36-V39 PolarHBondContact O-N 3.16Å; D36-V39 PolarHBondContact OD1-N 3.41Å; D36-A40 PolarHBondContact O-N 3.03Å; D36-A40 VanDerWaalsContact O-N 3.1Å
37	S	81.3	Confident	80.3	Confident	65 Å²	65	58.6 Å²	58.6	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-20.5	-178	-54	0	0	0	0	114	Q41	S37-Q41 WeakPolarHBondContact O-CB 3.17Å; S37-Q41 PolarHBondContact O-N 3.47Å
38	A	79.9	Confident	80.4	Confident	62 Å²	62	58.2 Å²	58.2	51%	0.512	35%	0.348	S	S	.	.	H	α-helix	trans	-76.2	-40.7	177.3	0	0	0	0	0	110.6	D36 Q41 C42	D36-A38 PolarHBondContact O-N 2.91Å; D36-A38 WeakPolarHBondContact OD1-CA 3.29Å; D36-A38 VanDerWaalsContact OD1-CB 3.28Å; D36-A38 WeakPolarHBondContact OD1-CB 3.41Å; D36-A38 PolarHBondContact OD1-N 3.42Å; A38-Q41 PolarHBondContact O-N 2.99Å; A38-C42 PolarHBondContact O-N 2.97Å; A38-C42 PolarHBondContact O-SG 3.26Å
39	V	79	Confident	80.6	Confident	47 Å²	47	55.7 Å²	55.7	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-45.2	170.4	177.6	0	0	0	0	110.5	T35 D36 Q41 C42 Y43 F58	T35-V39 HydrophobicContact CG2-CG1 4.12Å; D36-V39 PolarHBondContact O-N 3.16Å; D36-V39 PolarHBondContact OD1-N 3.41Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 3.11Å; V39-C42 PolarHBondContact O-N 2.76Å; V39-Y43 HydrophobicContact CG1-CD2 3.9Å; V39-Y43 HydrophobicContact CG1-CE2 3.94Å; V39-Y43 WeakPolarHBondContact O-CD2 3.24Å; V39-Y43 PolarHBondContact O-N 2.99Å; V39-F58 HydrophobicContact CG1-CD2 4.27Å; V39-F58 HydrophobicContact CG1-CE2 4.13Å
40	A	82.8	Confident	80.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-56.9	-43.7	177	0	0	0	0	0	112.7	C26 F29 A30 D36 C42 Y43 L44	C26-A40 HydrophobicContact CB-CB 4.19Å; C26-A40 WeakPolarHBondContact O-CB 2.97Å; F29-A40 HydrophobicContact CB-CB 4.02Å; F29-A40 VanDerWaalsContact CD1-CA 3.45Å; F29-A40 HydrophobicContact CD1-CB 3.34Å; F29-A40 HydrophobicContact CE1-CB 4.04Å; F29-A40 HydrophobicContact CG-CB 3.92Å; A30-A40 HydrophobicContact CB-CB 4.26Å; D36-A40 PolarHBondContact O-N 3.03Å; D36-A40 VanDerWaalsContact O-N 3.1Å; A40-C42 PolarHBondContact O-N 2.9Å; A40-Y43 PolarHBondContact O-N 3.47Å; A40-L44 WeakPolarHBondContact O-CB 3.35Å; A40-L44 WeakPolarHBondContact O-CD1 3.29Å; A40-L44 WeakPolarHBondContact O-CG 3.16Å; A40-L44 PolarHBondContact O-N 3.2Å
41	Q	85.7	Confident	80.2	Confident	111 Å²	111	62.1 Å²	62.1	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-39.1	179.5	-174.2	174.7	5.1	0	0	112.6	S37 A38 V39 A45 W49	S37-Q41 WeakPolarHBondContact O-CB 3.17Å; S37-Q41 PolarHBondContact O-N 3.47Å; A38-Q41 PolarHBondContact O-N 2.99Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 3.11Å; Q41-A45 WeakPolarHBondContact O-CB 3.3Å; Q41-A45 PolarHBondContact O-N 3.01Å; Q41-W49 HydrophobicContact CG-CH2 4.26Å
42	C	83.4	Confident	79.7	Confident	71 Å²	71	63.7 Å²	63.7	48%	0.48	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-53.1	176.5	-69.1	0	0	0	0	111.2	A38 V39 A40 L44 A45 E46	A38-C42 PolarHBondContact O-N 2.97Å; A38-C42 PolarHBondContact O-SG 3.26Å; V39-C42 PolarHBondContact O-N 2.76Å; A40-C42 PolarHBondContact O-N 2.9Å; C42-L44 PolarHBondContact O-N 3.47Å; C42-A45 PolarHBondContact O-N 3.19Å; C42-E46 WeakPolarHBondContact O-CG 3.47Å; C42-E46 PolarHBondContact O-N 2.92Å
43	Y	78.6	Confident	79.7	Confident	47 Å²	47	65.6 Å²	65.6	18%	0.184	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-39.6	-178	-82.7	-81.4	0	0	0	112.9	F29 V39 A40 N47 A54 F58 A61	F29-Y43 HydrophobicContact CZ-CD2 4.37Å; F29-Y43 HydrophobicContact CZ-CG 4.07Å; V39-Y43 HydrophobicContact CG1-CD2 3.9Å; V39-Y43 HydrophobicContact CG1-CE2 3.94Å; V39-Y43 WeakPolarHBondContact O-CD2 3.24Å; V39-Y43 PolarHBondContact O-N 2.99Å; A40-Y43 PolarHBondContact O-N 3.47Å; Y43-N47 WeakPolarHBondContact O-CB 3.4Å; Y43-N47 PolarHBondContact O-N 3.16Å; Y43-N47 PolarHBondContact O-ND2 2.76Å; Y43-A54 WeakPolarHBondContact O-CB 3.4Å; Y43-F58 HydrophobicContact CD1-CB 3.86Å; Y43-F58 HydrophobicContact CD2-CB 4.21Å; Y43-F58 AromaticContact CD2-CD2 3.92Å; Y43-F58 HydrophobicContact CD2-CD2 3.92Å; Y43-F58 HydrophobicContact CE1-CB 3.92Å; Y43-F58 HydrophobicContact CE2-CB 4.28Å; Y43-F58 AromaticContact CE2-CD2 3.56Å; Y43-F58 HydrophobicContact CE2-CD2 3.56Å; Y43-F58 HydrophobicContact CE2-CE2 4.43Å; Y43-F58 HydrophobicContact CE2-CG 4.41Å; Y43-F58 HydrophobicContact CG-CB 4Å; Y43-F58 AromaticContact CZ-CD2 3.89Å; Y43-A61 WeakPolarHBondContact OH-CB 3.21Å
44	L	83.5	Confident	79.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.5	-40.3	174.8	-74.9	163.4	0	0	0	111.5	L25 C26 F29 A40 C42 N47 D48 W49 M51 A54	L25-L44 HydrophobicContact CB-CD1 3.97Å; L25-L44 HydrophobicContact CB-CD2 4.46Å; C26-L44 HydrophobicContact CB-CD1 4.33Å; F29-L44 HydrophobicContact CB-CD1 4Å; F29-L44 HydrophobicContact CD2-CD1 4.47Å; F29-L44 HydrophobicContact CD2-CD2 4.33Å; F29-L44 HydrophobicContact CD2-CG 4.12Å; F29-L44 HydrophobicContact CG-CD1 4.38Å; F29-L44 HydrophobicContact CG-CG 4.49Å; A40-L44 WeakPolarHBondContact O-CB 3.35Å; A40-L44 WeakPolarHBondContact O-CD1 3.29Å; A40-L44 WeakPolarHBondContact O-CG 3.16Å; A40-L44 PolarHBondContact O-N 3.2Å; C42-L44 PolarHBondContact O-N 3.47Å; L44-N47 CarbonylContact O-C 3.51Å; L44-N47 PolarHBondContact O-N 3.02Å; L44-D48 PolarHBondContact O-N 3.41Å; L44-W49 HydrophobicContact CB-CD2 4.19Å; L44-W49 HydrophobicContact CB-CE3 3.79Å; L44-W49 HydrophobicContact CB-CZ3 4.07Å; L44-W49 HydrophobicContact CD1-CE3 4.33Å; L44-W49 HydrophobicContact CD1-CZ3 4.25Å; L44-W49 VanDerWaalsContact O-CA 3.24Å; L44-W49 WeakPolarHBondContact O-CA 3.3Å; L44-W49 PolarHBondContact O-N 2.9Å; L44-M51 HydrophobicContact CD2-SD 4.36Å; L44-A54 HydrophobicContact CD2-CB 3.75Å; L44-A54 HydrophobicContact CG-CB 4.11Å
45	A	84.4	Confident	79.7	Confident	54 Å²	54	62.7 Å²	62.7	45%	0.446	33%	0.332	S	S	.	.	H	α-helix	trans	-67.5	-36.9	178.9	0	0	0	0	0	113	Q41 C42 N47 W49	Q41-A45 WeakPolarHBondContact O-CB 3.3Å; Q41-A45 PolarHBondContact O-N 3.01Å; C42-A45 PolarHBondContact O-N 3.19Å; A45-N47 VanDerWaalsContact C-N 3.27Å; A45-N47 PolarHBondContact O-N 3.41Å; A45-W49 HydrophobicContact CB-CZ2 4.48Å
46	E	80.6	Confident	79.1	Confident	133 Å²	133	63.1 Å²	63.1	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-73.8	-17.9	177.8	-71.4	173.8	179.4	0	0	113.2	C42	C42-E46 WeakPolarHBondContact O-CG 3.47Å; C42-E46 PolarHBondContact O-N 2.92Å
47	N	82.7	Confident	78.7	Confident	16 Å²	16	60 Å²	60	9%	0.086	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	36.4	-177.9	-68	-77.3	0	0	0	112.6	Y43 L44 A45 W49 E50 R53 A54 S57	Y43-N47 WeakPolarHBondContact O-CB 3.4Å; Y43-N47 PolarHBondContact O-N 3.16Å; Y43-N47 PolarHBondContact O-ND2 2.76Å; L44-N47 CarbonylContact O-C 3.51Å; L44-N47 PolarHBondContact O-N 3.02Å; A45-N47 VanDerWaalsContact C-N 3.27Å; A45-N47 PolarHBondContact O-N 3.41Å; N47-W49 PolarHBondContact O-N 3.02Å; N47-E50 PolarHBondContact O-N 3.42Å; N47-R53 HydrophobicContact CB-CB 4.23Å; N47-R53 HydrophobicContact CB-CG 4.04Å; N47-R53 WeakPolarHBondContact OD1-CG 3.36Å; N47-R53 PolarHBondContact OD1-NE 2.92Å; N47-A54 HydrophobicContact CB-CB 4.01Å; N47-S57 WeakPolarHBondContact ND2-CB 3.49Å
48	D	85.4	Confident	78.5	Confident	112 Å²	112	58.5 Å²	58.5	60%	0.599	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	24.1	173.3	-58.1	-58.1	0	0	0	114.5	L44 E50 R53	L44-D48 PolarHBondContact O-N 3.41Å; D48-E50 PolarHBondContact O-N 2.9Å; D48-R53 IonicContact OD2-CZ 3.69Å; D48-R53 IonicContact OD2-NH1 3.9Å; D48-R53 PolarHBondContact OD2-NH1 2.97Å; D48-R53 IonicContact OD2-NH2 2.83Å; D48-R53 PolarHBondContact OD2-NH2 2.8Å
49	W	83.1	Confident	78	Confident	50 Å²	50	56 Å²	56	19%	0.189	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	20.4	-173.7	-61.6	77.1	0	0	0	114.5	R22 L25 Q41 L44 A45 N47 M51	R22-W49 HydrophobicContact CB-CD2 4.48Å; R22-W49 HydrophobicContact CB-CE3 3.84Å; R22-W49 HydrophobicContact CB-CH2 3.55Å; R22-W49 HydrophobicContact CB-CZ2 4.24Å; R22-W49 HydrophobicContact CB-CZ3 3.33Å; R22-W49 VanDerWaalsContact CD-CZ2 3.49Å; R22-W49 HydrophobicContact CG-CD2 3.71Å; R22-W49 HydrophobicContact CG-CE3 3.49Å; R22-W49 VanDerWaalsContact CG-CE3 3.49Å; R22-W49 HydrophobicContact CG-CH2 3.73Å; R22-W49 HydrophobicContact CG-CZ2 3.95Å; R22-W49 HydrophobicContact CG-CZ3 3.51Å; R22-W49 VanDerWaalsContact NE-CE2 3.28Å; R22-W49 WeakPolarHBondContact O-CZ3 3.26Å; L25-W49 HydrophobicContact CD1-CB 4.45Å; L25-W49 HydrophobicContact CD1-CE3 4.2Å; Q41-W49 HydrophobicContact CG-CH2 4.26Å; L44-W49 HydrophobicContact CB-CD2 4.19Å; L44-W49 HydrophobicContact CB-CE3 3.79Å; L44-W49 HydrophobicContact CB-CZ3 4.07Å; L44-W49 HydrophobicContact CD1-CE3 4.33Å; L44-W49 HydrophobicContact CD1-CZ3 4.25Å; L44-W49 VanDerWaalsContact O-CA 3.24Å; L44-W49 WeakPolarHBondContact O-CA 3.3Å; L44-W49 PolarHBondContact O-N 2.9Å; A45-W49 HydrophobicContact CB-CZ2 4.48Å; N47-W49 PolarHBondContact O-N 3.02Å; W49-M51 PolarHBondContact O-N 3.01Å
50	E	77	Confident	77.4	Confident	115 Å²	115	55.4 Å²	55.4	54%	0.537	28%	0.276	S	S	.	.			trans	-81.9	108.7	170.7	-68.4	-171.5	173.7	0	0	110.1	N47 D48 E52 R53 A54	N47-E50 PolarHBondContact O-N 3.42Å; D48-E50 PolarHBondContact O-N 2.9Å; E50-E52 PolarHBondContact O-N 2.93Å; E50-R53 HydrophobicContact CB-CB 4Å; E50-R53 PolarHBondContact O-N 2.76Å; E50-A54 WeakPolarHBondContact O-CB 3.24Å; E50-A54 PolarHBondContact O-N 3.46Å
51	M	79.8	Confident	76.6	Confident	33 Å²	33	57.2 Å²	57.2	16%	0.163	29%	0.291	C	S	.	.	H	α-helix	trans	-52.2	-50	-174.9	179.6	64.2	76.9	0	0	113.1	L25 E28 F29 L44 W49 R53 A54 I55	L25-M51 HydrophobicContact CB-CE 4.07Å; L25-M51 HydrophobicContact CD2-CE 3.65Å; L25-M51 HydrophobicContact CG-CE 4.49Å; L25-M51 WeakPolarHBondContact O-CE 3.31Å; E28-M51 HydrophobicContact CB-CE 3.74Å; E28-M51 HydrophobicContact CG-CE 3.72Å; F29-M51 HydrophobicContact CB-CE 4.15Å; F29-M51 HydrophobicContact CB-SD 3.8Å; F29-M51 HydrophobicContact CD2-SD 3.97Å; F29-M51 HydrophobicContact CG-SD 4.39Å; L44-M51 HydrophobicContact CD2-SD 4.36Å; W49-M51 PolarHBondContact O-N 3.01Å; M51-R53 PolarHBondContact O-N 3.37Å; M51-A54 PolarHBondContact O-N 3.4Å; M51-I55 HydrophobicContact CG-CD1 3.71Å; M51-I55 HydrophobicContact CG-CG1 4.43Å; M51-I55 WeakPolarHBondContact O-CB 3.45Å; M51-I55 VanDerWaalsContact O-CG1 3.27Å; M51-I55 WeakPolarHBondContact O-CG1 3.49Å; M51-I55 PolarHBondContact O-N 3.34Å; M51-I55 HydrophobicContact SD-CD1 3.59Å; M51-I55 VanDerWaalsContact SD-CD1 3.59Å; M51-I55 HydrophobicContact SD-CG1 4Å
52	E	66.5	Low	75.7	Confident	151 Å²	151	53.6 Å²	53.6	71%	0.706	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-42.1	-176.7	-170.2	172.4	-172.9	0	0	111.7	E50 I55 N56	E50-E52 PolarHBondContact O-N 2.93Å; E52-I55 PolarHBondContact O-N 3.47Å; E52-N56 WeakPolarHBondContact O-CB 3.26Å; E52-N56 PolarHBondContact O-N 2.94Å; E52-N56 PolarHBondContact O-ND2 2.92Å; E52-N56 VanDerWaalsContact O-ND2 3.13Å
53	R	70.1	Confident	74.6	Confident	105 Å²	105	50.5 Å²	50.5	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-68	-42	178.3	-168.8	178.6	144.2	-161	-8.5	111.8	N47 D48 E50 M51 N56 S57	N47-R53 HydrophobicContact CB-CB 4.23Å; N47-R53 HydrophobicContact CB-CG 4.04Å; N47-R53 WeakPolarHBondContact OD1-CG 3.36Å; N47-R53 PolarHBondContact OD1-NE 2.92Å; D48-R53 IonicContact OD2-CZ 3.69Å; D48-R53 IonicContact OD2-NH1 3.9Å; D48-R53 PolarHBondContact OD2-NH1 2.97Å; D48-R53 IonicContact OD2-NH2 2.83Å; D48-R53 PolarHBondContact OD2-NH2 2.8Å; E50-R53 HydrophobicContact CB-CB 4Å; E50-R53 PolarHBondContact O-N 2.76Å; M51-R53 PolarHBondContact O-N 3.37Å; R53-N56 PolarHBondContact O-N 2.88Å; R53-S57 WeakPolarHBondContact O-CB 3.39Å; R53-S57 PolarHBondContact O-N 2.79Å
54	A	75.7	Confident	74.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-45.4	175.2	0	0	0	0	0	111.8	F29 Y43 L44 N47 E50 M51 N56 S57 F58	F29-A54 HydrophobicContact CD2-CB 4.11Å; F29-A54 VanDerWaalsContact CE2-C 3.5Å; F29-A54 HydrophobicContact CE2-CB 3.7Å; Y43-A54 WeakPolarHBondContact O-CB 3.4Å; L44-A54 HydrophobicContact CD2-CB 3.75Å; L44-A54 HydrophobicContact CG-CB 4.11Å; N47-A54 HydrophobicContact CB-CB 4.01Å; E50-A54 WeakPolarHBondContact O-CB 3.24Å; E50-A54 PolarHBondContact O-N 3.46Å; M51-A54 PolarHBondContact O-N 3.4Å; A54-N56 VanDerWaalsContact C-N 3.34Å; A54-S57 PolarHBondContact O-N 2.93Å; A54-F58 PolarHBondContact O-N 2.94Å
55	I	71.6	Confident	73.4	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-46.9	178.5	-77.5	173.9	0	0	0	109.5	F29 I32 M51 E52 S57 F58 F59 I95	F29-I55 HydrophobicContact CD2-CG1 3.65Å; F29-I55 HydrophobicContact CE2-CB 4.45Å; F29-I55 HydrophobicContact CE2-CG1 3.81Å; I32-I55 HydrophobicContact CB-CD1 4.31Å; I32-I55 HydrophobicContact CD1-CD1 3.7Å; I32-I55 HydrophobicContact CG2-CD1 3.95Å; M51-I55 HydrophobicContact CG-CD1 3.71Å; M51-I55 HydrophobicContact CG-CG1 4.43Å; M51-I55 WeakPolarHBondContact O-CB 3.45Å; M51-I55 VanDerWaalsContact O-CG1 3.27Å; M51-I55 WeakPolarHBondContact O-CG1 3.49Å; M51-I55 PolarHBondContact O-N 3.34Å; M51-I55 HydrophobicContact SD-CD1 3.59Å; M51-I55 VanDerWaalsContact SD-CD1 3.59Å; M51-I55 HydrophobicContact SD-CG1 4Å; E52-I55 PolarHBondContact O-N 3.47Å; I55-S57 PolarHBondContact O-N 3.23Å; I55-F58 PolarHBondContact O-N 3.07Å; I55-F59 HydrophobicContact CG2-CD2 3.84Å; I55-F59 HydrophobicContact CG2-CE2 3.89Å; I55-F59 WeakPolarHBondContact O-CD2 3.1Å; I55-F59 PolarHBondContact O-N 2.95Å; I55-F59 VanDerWaalsContact O-N 3.09Å; I55-I95 HydrophobicContact CG2-CD1 3.14Å
56	N	68.3	Low	72.6	Confident	43 Å²	43	57.9 Å²	57.9	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-50.5	176.2	-73.8	-26.3	0	0	0	110.9	E52 R53 A54 F58 F59 E60	E52-N56 WeakPolarHBondContact O-CB 3.26Å; E52-N56 PolarHBondContact O-N 2.94Å; E52-N56 PolarHBondContact O-ND2 2.92Å; E52-N56 VanDerWaalsContact O-ND2 3.13Å; R53-N56 PolarHBondContact O-N 2.88Å; A54-N56 VanDerWaalsContact C-N 3.34Å; N56-F58 VanDerWaalsContact C-N 3.34Å; N56-F58 PolarHBondContact O-N 3.29Å; N56-F59 PolarHBondContact O-N 3.21Å; N56-E60 VanDerWaalsContact O-CB 3.31Å; N56-E60 WeakPolarHBondContact O-CB 3.45Å; N56-E60 VanDerWaalsContact O-CD 3.3Å; N56-E60 WeakPolarHBondContact O-CG 3.34Å; N56-E60 PolarHBondContact O-N 2.82Å
57	S	73.9	Confident	72.3	Confident	30 Å²	30	52.1 Å²	52.1	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-41.8	177	178.9	0	0	0	0	113.4	N47 R53 A54 I55 E60 A61	N47-S57 WeakPolarHBondContact ND2-CB 3.49Å; R53-S57 WeakPolarHBondContact O-CB 3.39Å; R53-S57 PolarHBondContact O-N 2.79Å; A54-S57 PolarHBondContact O-N 2.93Å; I55-S57 PolarHBondContact O-N 3.23Å; S57-E60 WeakPolarHBondContact O-CB 3.44Å; S57-E60 PolarHBondContact O-N 3.34Å; S57-A61 PolarHBondContact O-N 3.09Å; S57-A61 VanDerWaalsContact O-N 3.11Å
58	F	77.1	Confident	71.7	Confident	32 Å²	32	56.3 Å²	56.3	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-48.4	177.8	169.6	-96.8	0	0	0	113.3	F29 T33 T35 V39 Y43 A54 I55 N56 E60 A61	F29-F58 HydrophobicContact CE1-CB 4.48Å; F29-F58 HydrophobicContact CE1-CG 4.4Å; F29-F58 HydrophobicContact CE2-CB 4.44Å; F29-F58 HydrophobicContact CZ-CB 3.65Å; F29-F58 HydrophobicContact CZ-CD2 4.49Å; F29-F58 HydrophobicContact CZ-CG 4.03Å; T33-F58 HydrophobicContact CG2-CD1 3.48Å; T33-F58 VanDerWaalsContact CG2-CD1 3.48Å; T33-F58 HydrophobicContact CG2-CE1 3.86Å; T33-F58 HydrophobicContact CG2-CG 4.1Å; T35-F58 HydrophobicContact CG2-CD2 4.39Å; T35-F58 HydrophobicContact CG2-CE1 4.08Å; T35-F58 HydrophobicContact CG2-CE2 3.42Å; T35-F58 VanDerWaalsContact CG2-CE2 3.42Å; T35-F58 HydrophobicContact CG2-CZ 3.22Å; V39-F58 HydrophobicContact CG1-CD2 4.27Å; V39-F58 HydrophobicContact CG1-CE2 4.13Å; Y43-F58 HydrophobicContact CD1-CB 3.86Å; Y43-F58 HydrophobicContact CD2-CB 4.21Å; Y43-F58 AromaticContact CD2-CD2 3.92Å; Y43-F58 HydrophobicContact CD2-CD2 3.92Å; Y43-F58 HydrophobicContact CE1-CB 3.92Å; Y43-F58 HydrophobicContact CE2-CB 4.28Å; Y43-F58 AromaticContact CE2-CD2 3.56Å; Y43-F58 HydrophobicContact CE2-CD2 3.56Å; Y43-F58 HydrophobicContact CE2-CE2 4.43Å; Y43-F58 HydrophobicContact CE2-CG 4.41Å; Y43-F58 HydrophobicContact CG-CB 4Å; Y43-F58 AromaticContact CZ-CD2 3.89Å; A54-F58 PolarHBondContact O-N 2.94Å; I55-F58 PolarHBondContact O-N 3.07Å; N56-F58 VanDerWaalsContact C-N 3.34Å; N56-F58 PolarHBondContact O-N 3.29Å; F58-E60 PolarHBondContact O-N 2.91Å; F58-A61 PolarHBondContact O-N 3.35Å
59	F	68.6	Low	70.5	Confident	10 Å²	10	56.9 Å²	56.9	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-20.8	177.6	-71.2	-75.7	0	0	0	112.1	T33 I55 N56 M63 S93 I95 R165	T33-F59 HydrophobicContact CG2-CE2 3.76Å; T33-F59 HydrophobicContact CG2-CZ 4.13Å; I55-F59 HydrophobicContact CG2-CD2 3.84Å; I55-F59 HydrophobicContact CG2-CE2 3.89Å; I55-F59 WeakPolarHBondContact O-CD2 3.1Å; I55-F59 PolarHBondContact O-N 2.95Å; I55-F59 VanDerWaalsContact O-N 3.09Å; N56-F59 PolarHBondContact O-N 3.21Å; F59-M63 VanDerWaalsContact O-CG 3.28Å; F59-M63 WeakPolarHBondContact O-CG 3.35Å; F59-M63 PolarHBondContact O-N 2.94Å; F59-S93 WeakPolarHBondContact CE1-O 3.32Å; F59-S93 WeakPolarHBondContact CZ-O 3.13Å; F59-S93 WeakPolarHBondContact CZ-OG 3.29Å; F59-I95 HydrophobicContact CD2-CD1 3.34Å; F59-I95 HydrophobicContact CD2-CG1 3.87Å; F59-I95 HydrophobicContact CE1-CG1 4.42Å; F59-I95 HydrophobicContact CE2-CD1 3.07Å; F59-I95 HydrophobicContact CE2-CG1 3.55Å; F59-I95 HydrophobicContact CG-CD1 4.32Å; F59-I95 HydrophobicContact CG-CG1 4.46Å; F59-I95 HydrophobicContact CZ-CD1 3.85Å; F59-I95 HydrophobicContact CZ-CG1 3.82Å; F59-R165 PolarHBondContact O-NH2 3.09Å
60	E	67.1	Low	69.3	Low	35 Å²	35	57.4 Å²	57.4	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-43.7	173.5	-76.7	164.3	-159.9	0	0	112.3	N56 S57 F58 D62 M63 E64 R135	N56-E60 VanDerWaalsContact O-CB 3.31Å; N56-E60 WeakPolarHBondContact O-CB 3.45Å; N56-E60 VanDerWaalsContact O-CD 3.3Å; N56-E60 WeakPolarHBondContact O-CG 3.34Å; N56-E60 PolarHBondContact O-N 2.82Å; S57-E60 WeakPolarHBondContact O-CB 3.44Å; S57-E60 PolarHBondContact O-N 3.34Å; F58-E60 PolarHBondContact O-N 2.91Å; E60-D62 PolarHBondContact O-N 3.38Å; E60-M63 CarbonylContact O-C 3.54Å; E60-M63 WeakPolarHBondContact O-CA 3.48Å; E60-M63 PolarHBondContact O-N 3.23Å; E60-E64 PolarHBondContact O-N 3.32Å; E60-R135 IonicContact OE1-CZ 3.99Å; E60-R135 IonicContact OE1-NE 3.65Å; E60-R135 PolarHBondContact OE1-NE 3.45Å; E60-R135 IonicContact OE1-NH1 3.96Å; E60-R135 PolarHBondContact OE1-NH1 2.94Å; E60-R135 IonicContact OE1-NH2 3.31Å; E60-R135 PolarHBondContact OE1-NH2 3.47Å; E60-R135 IonicContact OE2-CZ 2.72Å; E60-R135 IonicContact OE2-NH1 3.52Å; E60-R135 PolarHBondContact OE2-NH1 3.13Å; E60-R135 IonicContact OE2-NH2 3.29Å; E60-R135 PolarHBondContact OE2-NH2 2.88Å
61	A	66.8	Low	68.3	Low	37 Å²	37	55.9 Å²	55.9	31%	0.306	26%	0.264	S	S	.	.	H	α-helix	trans	-58.2	-31.6	176.3	0	0	0	0	0	112.5	Y43 S57 F58 R65	Y43-A61 WeakPolarHBondContact OH-CB 3.21Å; S57-A61 PolarHBondContact O-N 3.09Å; S57-A61 VanDerWaalsContact O-N 3.11Å; F58-A61 PolarHBondContact O-N 3.35Å; A61-R65 WeakPolarHBondContact O-CG 3.45Å
62	D	65.1	Low	67	Low	35 Å²	35	61 Å²	61	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-76.7	-30.4	172.7	-168	62.7	0	0	0	113	E60 R65 I66 M92	E60-D62 PolarHBondContact O-N 3.38Å; D62-R65 WeakPolarHBondContact O-CB 3.27Å; D62-I66 PolarHBondContact O-N 3.43Å; D62-M92 HydrophobicContact CB-CE 4.26Å; D62-M92 WeakPolarHBondContact OD2-CE 3.15Å
63	M	61.2	Low	66.1	Low	7 Å²	7	60.6 Å²	60.6	3%	0.034	29%	0.286	C	S	.	.	H	α-helix	trans	-79.2	-35.6	177.3	-65.8	-51	79.3	0	0	112.6	F59 E60 R65 I66 F67 Y161 K164	F59-M63 VanDerWaalsContact O-CG 3.28Å; F59-M63 WeakPolarHBondContact O-CG 3.35Å; F59-M63 PolarHBondContact O-N 2.94Å; E60-M63 CarbonylContact O-C 3.54Å; E60-M63 WeakPolarHBondContact O-CA 3.48Å; E60-M63 PolarHBondContact O-N 3.23Å; M63-R65 PolarHBondContact O-N 2.96Å; M63-I66 HydrophobicContact CE-CD1 3.34Å; M63-I66 HydrophobicContact CE-CG1 3.94Å; M63-I66 WeakPolarHBondContact O-CB 3.24Å; M63-I66 PolarHBondContact O-N 3.41Å; M63-I66 HydrophobicContact SD-CD1 3.41Å; M63-I66 WeakPolarHBondContact SD-CD1 3.42Å; M63-I66 HydrophobicContact SD-CG1 4.39Å; M63-F67 WeakPolarHBondContact O-CD2 3.4Å; M63-F67 PolarHBondContact O-N 2.64Å; M63-F67 VanDerWaalsContact O-N 3.13Å; M63-Y161 HydrophobicContact CB-CD2 4.1Å; M63-Y161 HydrophobicContact CB-CE2 4.28Å; M63-Y161 HydrophobicContact CG-CD2 3.8Å; M63-Y161 HydrophobicContact CG-CE2 3.93Å; M63-Y161 HydrophobicContact SD-CD2 4.12Å; M63-K164 HydrophobicContact CE-CD 3.84Å; M63-K164 HydrophobicContact SD-CD 3.6Å; M63-K164 VanDerWaalsContact SD-CD 3.6Å
64	E	67	Low	64.7	Low	95 Å²	95	59.7 Å²	59.7	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-39.2	169.9	-74.8	-179.5	169.6	0	0	109.9	E60 I66 F67 E68	E60-E64 PolarHBondContact O-N 3.32Å; E64-I66 PolarHBondContact O-N 2.9Å; E64-F67 PolarHBondContact O-N 3.07Å; E64-E68 WeakPolarHBondContact O-CB 3.49Å; E64-E68 VanDerWaalsContact O-CG 3.22Å; E64-E68 WeakPolarHBondContact O-CG 3.35Å; E64-E68 PolarHBondContact O-N 2.97Å
65	R	69.1	Low	63	Low	143 Å²	143	66.3 Å²	66.3	54%	0.54	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-40.5	171.3	-69.3	174	134.6	158.6	4.1	114.2	A61 D62 M63 F67 E68 E69	A61-R65 WeakPolarHBondContact O-CG 3.45Å; D62-R65 WeakPolarHBondContact O-CB 3.27Å; M63-R65 PolarHBondContact O-N 2.96Å; R65-F67 VanDerWaalsContact C-N 3.28Å; R65-F67 PolarHBondContact O-N 3.36Å; R65-E68 PolarHBondContact O-N 3.02Å; R65-E69 VanDerWaalsContact O-CB 3.3Å; R65-E69 WeakPolarHBondContact O-CB 3.34Å; R65-E69 VanDerWaalsContact O-CG 3.29Å; R65-E69 WeakPolarHBondContact O-CG 3.01Å; R65-E69 PolarHBondContact O-N 3.21Å
66	I	68.6	Low	61.2	Low	18 Å²	18	70.9 Å²	70.9	9%	0.092	36%	0.364	C	S	.	.	H	α-helix	trans	-58.8	-45	175.7	-62.5	-178.6	0	0	0	110.4	D62 M63 E64 P157 Q160 K164	D62-I66 PolarHBondContact O-N 3.43Å; M63-I66 HydrophobicContact CE-CD1 3.34Å; M63-I66 HydrophobicContact CE-CG1 3.94Å; M63-I66 WeakPolarHBondContact O-CB 3.24Å; M63-I66 PolarHBondContact O-N 3.41Å; M63-I66 HydrophobicContact SD-CD1 3.41Å; M63-I66 WeakPolarHBondContact SD-CD1 3.42Å; M63-I66 HydrophobicContact SD-CG1 4.39Å; E64-I66 PolarHBondContact O-N 2.9Å; I66-P157 HydrophobicContact CG2-CB 4.44Å; I66-Q160 HydrophobicContact CG2-CB 4.35Å; I66-K164 HydrophobicContact CD1-CD 4.01Å; I66-K164 VanDerWaalsContact CD1-NZ 3.34Å
67	F	73.1	Confident	59.6	Low	11 Å²	11	75.4 Å²	75.4	5%	0.048	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-44.3	177.3	-66.7	-70.8	0	0	0	110.3	M63 E64 R65 F71 L130 A131 A134 P157 Y161	M63-F67 WeakPolarHBondContact O-CD2 3.4Å; M63-F67 PolarHBondContact O-N 2.64Å; M63-F67 VanDerWaalsContact O-N 3.13Å; E64-F67 PolarHBondContact O-N 3.07Å; R65-F67 VanDerWaalsContact C-N 3.28Å; R65-F67 PolarHBondContact O-N 3.36Å; F67-F71 HydrophobicContact CB-CE2 4.14Å; F67-F71 HydrophobicContact CD1-CE2 4.47Å; F67-F71 WeakPolarHBondContact O-CD2 3.18Å; F67-F71 WeakPolarHBondContact O-CE2 3.46Å; F67-F71 WeakPolarHBondContact O-CG 3.4Å; F67-F71 PolarHBondContact O-N 3.4Å; F67-L130 HydrophobicContact CD1-CD2 3.7Å; F67-L130 HydrophobicContact CD1-CG 4.18Å; F67-L130 HydrophobicContact CE1-CD2 3.71Å; F67-L130 HydrophobicContact CE1-CG 3.91Å; F67-A131 HydrophobicContact CD2-CB 3.68Å; F67-A131 HydrophobicContact CE2-CB 3.71Å; F67-A134 HydrophobicContact CZ-CB 4.42Å; F67-P157 HydrophobicContact CD1-CB 3.62Å; F67-P157 HydrophobicContact CE1-CB 3.79Å; F67-Y161 HydrophobicContact CE2-CD2 4.07Å; F67-Y161 HydrophobicContact CE2-CG 4.4Å; F67-Y161 HydrophobicContact CZ-CD2 4.33Å; F67-Y161 HydrophobicContact CZ-CG 4.2Å
68	E	70.4	Confident	58.1	Low	105 Å²	105	79.3 Å²	79.3	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-66.8	-41.3	-178.4	-73.2	174.1	179.4	0	0	114.9	E64 R65 F71 Q72	E64-E68 WeakPolarHBondContact O-CB 3.49Å; E64-E68 VanDerWaalsContact O-CG 3.22Å; E64-E68 WeakPolarHBondContact O-CG 3.35Å; E64-E68 PolarHBondContact O-N 2.97Å; R65-E68 PolarHBondContact O-N 3.02Å; E68-F71 PolarHBondContact O-N 3.46Å; E68-Q72 WeakPolarHBondContact O-CG 3.26Å; E68-Q72 PolarHBondContact O-N 3.47Å; E68-Q72 VanDerWaalsContact O-N 3.16Å
69	E	60	Low	56.1	Low	123 Å²	123	83.1 Å²	83.1	58%	0.575	45%	0.446	S	S	*	.	H	α-helix	trans	-67.3	-42.7	-177.1	-73.2	178.4	-177.1	0	0	111.5	R65 F71 Q72 E73	R65-E69 VanDerWaalsContact O-CB 3.3Å; R65-E69 WeakPolarHBondContact O-CB 3.34Å; R65-E69 VanDerWaalsContact O-CG 3.29Å; R65-E69 WeakPolarHBondContact O-CG 3.01Å; R65-E69 PolarHBondContact O-N 3.21Å; E69-F71 PolarHBondContact O-N 2.88Å; E69-Q72 PolarHBondContact O-N 3.28Å; E69-E73 PolarHBondContact O-N 3.28Å
70	D	58.1	Low	54.5	Low	62 Å²	62	88.1 Å²	88.1	33%	0.332	48%	0.482	S	S	.	.	H	α-helix	trans	-71	-29.8	178.9	-82.8	-5.1	0	0	0	112.3	P157	D70-P157 HydrophobicContact CB-CG 3.93Å; D70-P157 WeakPolarHBondContact OD2-CG 3.3Å
71	F	56	Low	52.9	Low	82 Å²	82	96.9 Å²	96.9	36%	0.36	51%	0.514	S	S	.	.	H	α-helix	trans	-79.2	-17.7	174.2	-66.7	-54.7	0	0	0	113.5	F67 E68 E69 S74 T127 L130 I155	F67-F71 HydrophobicContact CB-CE2 4.14Å; F67-F71 HydrophobicContact CD1-CE2 4.47Å; F67-F71 WeakPolarHBondContact O-CD2 3.18Å; F67-F71 WeakPolarHBondContact O-CE2 3.46Å; F67-F71 WeakPolarHBondContact O-CG 3.4Å; F67-F71 PolarHBondContact O-N 3.4Å; E68-F71 PolarHBondContact O-N 3.46Å; E69-F71 PolarHBondContact O-N 2.88Å; F71-S74 PolarHBondContact O-OG 3.34Å; F71-T127 HydrophobicContact CD1-CG2 4.48Å; F71-T127 HydrophobicContact CE1-CG2 3.65Å; F71-T127 HydrophobicContact CE2-CG2 4.2Å; F71-T127 HydrophobicContact CZ-CG2 3.51Å; F71-L130 HydrophobicContact CE2-CD2 4.42Å; F71-L130 HydrophobicContact CZ-CD2 4.17Å; F71-I155 HydrophobicContact CE1-CD1 4.49Å; F71-I155 HydrophobicContact CZ-CD1 4.01Å
72	Q	52	Low	51.2	Low	140 Å²	140	105 Å²	105	65%	0.654	54%	0.542	S	S	*	.	H	α-helix	trans	-85	-25.2	175.7	-75.8	179.8	18.9	0	0	113.2	E68 E69 S74	E68-Q72 WeakPolarHBondContact O-CG 3.26Å; E68-Q72 PolarHBondContact O-N 3.47Å; E68-Q72 VanDerWaalsContact O-N 3.16Å; E69-Q72 PolarHBondContact O-N 3.28Å; Q72-S74 VanDerWaalsContact C-N 3.28Å; Q72-S74 PolarHBondContact O-N 3.32Å
73	E	47.5	Very low	49.7	Very low	143 Å²	143	110.4 Å²	110.4	67%	0.668	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-14.6	176.9	-76	-161.4	156.1	0	0	113.9	E69	E69-E73 PolarHBondContact O-N 3.28Å
74	S	42.3	Very low	48.2	Very low	87 Å²	87	118 Å²	118	61%	0.608	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-12.8	177.9	58.6	0	0	0	0	115.1	F71 Q72	F71-S74 PolarHBondContact O-OG 3.34Å; Q72-S74 VanDerWaalsContact C-N 3.28Å; Q72-S74 PolarHBondContact O-N 3.32Å
75	D	39.2	Very low	46.5	Very low	139 Å²	139	122.6 Å²	122.6	74%	0.743	63%	0.632	S	S	*	*	S	Bend	trans	-127.5	67.2	-176.2	-84.5	-24.5	0	0	0	112.3
76	S	33.3	Very low	44.6	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	65%	0.648	S	S	*	*			trans	172.7	143.7	143.8	43.7	0	0	0	0	115.8
77	V	35.7	Very low	42.7	Very low	137 Å²	137	130.7 Å²	130.7	83%	0.83	68%	0.678	S	S	*	*			trans	-71.6	148.3	166.9	174.2	0	0	0	0	110
78	P	41.4	Very low	40.6	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	71%	0.711	S	S	*	*			trans	-88.1	160	-154	34.6	-34.5	0	0	0	114.3
79	P	36.6	Very low	38.7	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	72%	0.718	S	S	*	*			trans	-125.9	127.6	136.6	29.6	-14.8	0	0	0	112.7	R81	P79-R81 PolarHBondContact O-N 3.09Å
80	S	34.2	Very low	37.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	73%	0.734	S	S	*	*			trans	21	87.7	149.7	47.4	0	0	0	0	118.4	K82	S80-K82 PolarHBondContact O-N 3.26Å
81	R	33.2	Very low	36.5	Very low	218 Å²	218	143.3 Å²	143.3	82%	0.823	76%	0.758	S	S	*	*			trans	-68.1	113.7	162.9	-77.1	-178.2	178.4	164.9	1.7	110.2	P79	P79-R81 PolarHBondContact O-N 3.09Å
82	K	31.1	Very low	35.8	Very low	207 Å²	207	144.3 Å²	144.3	90%	0.9	77%	0.765	S	S	*	*			trans	-74.2	122.5	152.6	-84.4	-177.6	178.3	176.7	0	107.6	S80 L84	S80-K82 PolarHBondContact O-N 3.26Å; K82-L84 PolarHBondContact O-N 3.15Å
83	N	34.2	Very low	35.7	Very low	149 Å²	149	140 Å²	140	80%	0.797	75%	0.75	S	S	*	*			trans	-50.8	115.9	175.6	-71.1	-29.7	0	0	0	111.7
84	L	29.2	Very low	36	Very low	166 Å²	166	136.7 Å²	136.7	87%	0.869	74%	0.743	S	S	*	*			trans	-121.3	89.3	150.4	-151.4	75.8	0	0	0	106.7	K82 R86	K82-L84 PolarHBondContact O-N 3.15Å; L84-R86 PolarHBondContact O-N 2.63Å
85	Q	31.7	Very low	37.1	Very low	193 Å²	193	134.2 Å²	134.2	90%	0.902	72%	0.723	S	S	*	*			trans	-57.3	103.5	165.4	-100.4	170	-20.3	0	0	107.8
86	R	29.8	Very low	38.6	Very low	228 Å²	228	129.9 Å²	129.9	86%	0.86	70%	0.699	S	S	*	*			trans	-101.9	105	154.9	-142	174.6	87.7	178.3	6.2	105.6	L84 V88	L84-R86 PolarHBondContact O-N 2.63Å; R86-V88 PolarHBondContact O-N 3.4Å
87	S	27.4	Very low	40.6	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	67%	0.672	S	S	*	*			trans	-50.3	112.2	172.7	50.4	0	0	0	0	109.1	S89	S87-S89 PolarHBondContact O-N 2.74Å
88	V	30.4	Very low	42.4	Very low	124 Å²	124	120.5 Å²	120.5	75%	0.752	64%	0.636	S	S	*	*			trans	-70.7	109.5	166	-176.4	0	0	0	0	105.3	R86 E90	R86-V88 PolarHBondContact O-N 3.4Å; V88-E90 PolarHBondContact O-N 2.87Å
89	S	28.6	Very low	43.1	Very low	92 Å²	92	116.3 Å²	116.3	64%	0.643	61%	0.613	S	S	*	*			trans	-61	123.2	175.2	-62.2	0	0	0	0	109.1	S87 N91	S87-S89 PolarHBondContact O-N 2.74Å; S89-N91 PolarHBondContact O-N 3.16Å
90	E	34.1	Very low	43.7	Very low	195 Å²	195	118.5 Å²	118.5	91%	0.911	62%	0.619	S	S	*	*	S	Bend	trans	-67.4	20	-177.5	-68.7	178.6	145.3	0	0	115	V88	V88-E90 PolarHBondContact O-N 2.87Å
91	N	38.7	Very low	44.1	Very low	155 Å²	155	114.8 Å²	114.8	83%	0.829	59%	0.593	S	S	*	*			trans	-121.8	58.7	-178.7	-80.6	-8.4	0	0	0	112	S89	S89-N91 PolarHBondContact O-N 3.16Å
92	M	41.8	Very low	44.5	Very low	103 Å²	103	109.3 Å²	109.3	51%	0.507	59%	0.585	S	S	.	*			trans	-96.2	119.2	162.8	-76	-176.8	68.3	0	0	108.9	D62 S94	D62-M92 HydrophobicContact CB-CE 4.26Å; D62-M92 WeakPolarHBondContact OD2-CE 3.15Å; M92-S94 PolarHBondContact O-N 3.04Å; M92-S94 VanDerWaalsContact O-N 3.14Å
93	S	49.1	Very low	45.1	Very low	49 Å²	49	105.9 Å²	105.9	34%	0.343	58%	0.581	S	S	.	*			trans	-66.8	108.3	-177.3	46.2	0	0	0	0	110.9	I32 F59 I95	I32-S93 PolarHBondContact O-OG 3.11Å; F59-S93 WeakPolarHBondContact CE1-O 3.32Å; F59-S93 WeakPolarHBondContact CZ-O 3.13Å; F59-S93 WeakPolarHBondContact CZ-OG 3.29Å; S93-I95 PolarHBondContact O-N 2.96Å
94	S	53.6	Low	45.5	Very low	73 Å²	73	101 Å²	101	51%	0.51	56%	0.561	S	S	.	*			trans	-69.5	112.4	170.1	56.4	0	0	0	0	109.3	M92 D96	M92-S94 PolarHBondContact O-N 3.04Å; M92-S94 VanDerWaalsContact O-N 3.14Å; S94-D96 PolarHBondContact O-N 3.11Å
95	I	66.3	Low	46	Very low	36 Å²	36	102.6 Å²	102.6	19%	0.185	56%	0.556	C	S	.	*			trans	-77.2	109.6	170.9	-64	-166	0	0	0	109.6	I32 I55 F59 S93 L97 K164 R165	I32-I95 HydrophobicContact CG2-CD1 4.3Å; I55-I95 HydrophobicContact CG2-CD1 3.14Å; F59-I95 HydrophobicContact CD2-CD1 3.34Å; F59-I95 HydrophobicContact CD2-CG1 3.87Å; F59-I95 HydrophobicContact CE1-CG1 4.42Å; F59-I95 HydrophobicContact CE2-CD1 3.07Å; F59-I95 HydrophobicContact CE2-CG1 3.55Å; F59-I95 HydrophobicContact CG-CD1 4.32Å; F59-I95 HydrophobicContact CG-CG1 4.46Å; F59-I95 HydrophobicContact CZ-CD1 3.85Å; F59-I95 HydrophobicContact CZ-CG1 3.82Å; S93-I95 PolarHBondContact O-N 2.96Å; I95-L97 HydrophobicContact CG2-CD2 3.98Å; I95-L97 PolarHBondContact O-N 2.93Å; I95-K164 VanDerWaalsContact O-O 3.13Å; I95-R165 WeakPolarHBondContact O-CD 3.24Å
96	D	70.9	Confident	46.5	Very low	47 Å²	47	100 Å²	100	25%	0.251	54%	0.542	S	S	.	.			trans	-72.7	102	167.5	-173.1	12.5	0	0	0	109.9	S94 T98 G99 V167 S168	S94-D96 PolarHBondContact O-N 3.11Å; D96-T98 PolarHBondContact O-N 2.81Å; D96-T98 WeakPolarHBondContact OD1-CA 3.36Å; D96-T98 PolarHBondContact OD1-N 2.92Å; D96-T98 PolarHBondContact OD1-OG1 3.29Å; D96-G99 PolarHBondContact O-N 2.9Å; D96-G99 PolarHBondContact OD1-N 2.82Å; D96-G99 VanDerWaalsContact OD1-N 3.15Å; D96-G99 WeakPolarHBondContact OD2-CA 3.37Å; D96-G99 PolarHBondContact OD2-N 2.9Å; D96-G99 VanDerWaalsContact OD2-N 3.09Å; D96-V167 HydrophobicContact CB-CB 3.76Å; D96-V167 HydrophobicContact CB-CG2 3.68Å; D96-V167 VanDerWaalsContact CG-CB 3.42Å; D96-V167 PolarHBondContact OD1-N 2.84Å; D96-V167 WeakPolarHBondContact OD2-CB 3.49Å; D96-S168 PolarHBondContact OD2-N 3.45Å
97	L	75.6	Confident	47	Very low	40 Å²	40	92.2 Å²	92.2	21%	0.209	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.3	172.6	-60.3	179	0	0	0	111	I95 G99 C138 V142 R165	I95-L97 HydrophobicContact CG2-CD2 3.98Å; I95-L97 PolarHBondContact O-N 2.93Å; L97-G99 VanDerWaalsContact C-N 3.35Å; L97-C138 HydrophobicContact CD1-CB 3.98Å; L97-V142 HydrophobicContact CB-CG2 4.15Å; L97-V142 WeakPolarHBondContact O-CG2 3.47Å; L97-R165 WeakPolarHBondContact CB-O 3.38Å; L97-R165 HydrophobicContact CD1-CB 4.03Å; L97-R165 HydrophobicContact CD1-CG 4.18Å; L97-R165 HydrophobicContact CG-CB 4.24Å; L97-R165 PolarHBondContact N-O 2.98Å
98	T	71.9	Confident	47.8	Very low	13 Å²	13	93.7 Å²	93.7	8%	0.08	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.1	-180	70.3	0	0	0	0	113.9	D96 L141 V142 R165 A166 V167 S168 Y169	D96-T98 PolarHBondContact O-N 2.81Å; D96-T98 WeakPolarHBondContact OD1-CA 3.36Å; D96-T98 PolarHBondContact OD1-N 2.92Å; D96-T98 PolarHBondContact OD1-OG1 3.29Å; T98-L141 HydrophobicContact CG2-CB 4.1Å; T98-V142 HydrophobicContact CG2-CG2 4.19Å; T98-R165 PolarHBondContact N-O 2.72Å; T98-A166 HydrophobicContact CG2-CB 3.82Å; T98-A166 VanDerWaalsContact OG1-C 3.28Å; T98-A166 VanDerWaalsContact OG1-CA 3.24Å; T98-A166 WeakPolarHBondContact OG1-CA 3.48Å; T98-V167 PolarHBondContact OG1-N 2.9Å; T98-S168 VanDerWaalsContact CB-OG 3.26Å; T98-S168 WeakPolarHBondContact CB-OG 3.24Å; T98-S168 WeakPolarHBondContact O-CB 3.48Å; T98-S168 PolarHBondContact O-OG 3.1Å; T98-S168 VanDerWaalsContact O-OG 3.09Å; T98-S168 WeakPolarHBondContact OG1-CB 3.36Å; T98-S168 PolarHBondContact OG1-N 2.85Å; T98-S168 PolarHBondContact OG1-OG 3.33Å; T98-Y169 HydrophobicContact CG2-CD2 4.31Å; T98-Y169 HydrophobicContact CG2-CE2 4.09Å
99	G	56.2	Low	48.3	Very low	24 Å²	24	95.6 Å²	95.6	25%	0.247	53%	0.534	C	S	.	.	S	Bend	trans	-61	167.7	172	0	0	0	0	0	109.7	D96 L97 S101	D96-G99 PolarHBondContact O-N 2.9Å; D96-G99 PolarHBondContact OD1-N 2.82Å; D96-G99 VanDerWaalsContact OD1-N 3.15Å; D96-G99 WeakPolarHBondContact OD2-CA 3.37Å; D96-G99 PolarHBondContact OD2-N 2.9Å; D96-G99 VanDerWaalsContact OD2-N 3.09Å; L97-G99 VanDerWaalsContact C-N 3.35Å; G99-S101 PolarHBondContact O-N 3.43Å
100	D	50.8	Low	49.3	Very low	158 Å²	158	96.7 Å²	96.7	85%	0.845	53%	0.529	S	S	*	.			trans	-66.2	74.9	178.1	-70.7	-36.6	0	0	0	110.7
101	S	40.9	Very low	50.8	Low	37 Å²	37	91.2 Å²	91.2	26%	0.259	51%	0.506	S	S	.	.			trans	-63.2	138.6	175.7	176	0	0	0	0	108.7	G99 V103 A104	G99-S101 PolarHBondContact O-N 3.43Å; S101-V103 PolarHBondContact O-N 2.88Å; S101-A104 PolarHBondContact O-N 2.79Å
102	P	41.6	Very low	52.4	Low	103 Å²	103	88 Å²	88	67%	0.669	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-59	-19.7	179.1	22.2	-31.5	0	0	0	113.4	A104	P102-A104 VanDerWaalsContact C-N 3.35Å
103	V	43.7	Very low	54.4	Low	135 Å²	135	84.7 Å²	84.7	82%	0.818	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-74.3	-24.4	176.8	-170.5	0	0	0	0	112.3	S101	S101-V103 PolarHBondContact O-N 2.88Å
104	A	42.4	Very low	56.6	Low	46 Å²	46	85.1 Å²	85.1	38%	0.38	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-106.6	18.4	-177	0	0	0	0	0	113.5	S101 P102 K106 T145	S101-A104 PolarHBondContact O-N 2.79Å; P102-A104 VanDerWaalsContact C-N 3.35Å; A104-K106 VanDerWaalsContact C-N 3.26Å; A104-K106 PolarHBondContact O-N 3.23Å; A104-T145 HydrophobicContact CB-CG2 4.47Å
105	R	41.3	Very low	58.6	Low	200 Å²	200	81.7 Å²	81.7	76%	0.755	45%	0.453	S	S	*	.			trans	-70	84	171.7	-72.7	-176.1	179.3	-175.3	1.8	110.1
106	K	42.1	Very low	60.2	Low	138 Å²	138	80.5 Å²	80.5	60%	0.6	45%	0.448	S	S	*	.			trans	-64.1	129.4	144.6	-80.9	-172.9	177	-179.1	0	106.8	A104	A104-K106 VanDerWaalsContact C-N 3.26Å; A104-K106 PolarHBondContact O-N 3.23Å
107	P	39	Very low	61.5	Low	66 Å²	66	78.4 Å²	78.4	43%	0.429	44%	0.436	S	S	.	.			trans	-55.2	145.2	177.7	16.2	-23.6	0	0	0	109.7	D109 E110	P107-D109 PolarHBondContact O-N 3.14Å; P107-E110 HydrophobicContact CG-CB 4.48Å; P107-E110 HydrophobicContact CG-CG 4.04Å; P107-E110 PolarHBondContact O-N 2.75Å
108	P	44.6	Very low	62.6	Low	133 Å²	133	76.5 Å²	76.5	86%	0.864	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-17.3	-178	-1.1	-3.3	0	0	0	114.3
109	D	42.1	Very low	63.9	Low	164 Å²	164	75.9 Å²	75.9	88%	0.877	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.7	175.7	-82.3	-31.2	0	0	0	115	P107	P107-D109 PolarHBondContact O-N 3.14Å
110	E	49.1	Very low	65.9	Low	116 Å²	116	74.8 Å²	74.8	54%	0.542	41%	0.411	S	S	.	.			trans	-107.4	39.1	177.5	-76.1	-170.1	178.7	0	0	113.5	P107 D112	P107-E110 HydrophobicContact CG-CB 4.48Å; P107-E110 HydrophobicContact CG-CG 4.04Å; P107-E110 PolarHBondContact O-N 2.75Å; E110-D112 VanDerWaalsContact C-N 3.27Å; E110-D112 PolarHBondContact O-N 3.36Å
111	D	64.9	Low	68.2	Low	80 Å²	80	67.2 Å²	67.2	43%	0.428	37%	0.371	S	S	.	.			trans	-70.8	89.4	162.9	-177.3	17.5	0	0	0	109.3	G113 R189 K217	D111-G113 PolarHBondContact O-N 3.47Å; D111-R189 VanDerWaalsContact CG-NH1 3.28Å; D111-R189 IonicContact OD1-CZ 3.39Å; D111-R189 VanDerWaalsContact OD1-CZ 3.24Å; D111-R189 IonicContact OD1-NH1 3.61Å; D111-R189 PolarHBondContact OD1-NH1 3.45Å; D111-R189 IonicContact OD1-NH2 3.54Å; D111-R189 PolarHBondContact OD1-NH2 3.09Å; D111-R189 IonicContact OD2-NH1 3.64Å; D111-K217 WeakPolarHBondContact OD1-CE 3.34Å; D111-K217 IonicContact OD1-NZ 2.73Å; D111-K217 PolarHBondContact OD1-NZ 2.96Å; D111-K217 WeakPolarHBondContact OD2-CE 3.18Å; D111-K217 IonicContact OD2-NZ 2.74Å; D111-K217 PolarHBondContact OD2-NZ 2.76Å
112	D	73.6	Confident	71	Confident	88 Å²	88	65.5 Å²	65.5	47%	0.471	36%	0.358	S	S	.	.			trans	-62.3	8.1	-173.7	71.8	-2.6	0	0	0	115.6	E110 K114	E110-D112 VanDerWaalsContact C-N 3.27Å; E110-D112 PolarHBondContact O-N 3.36Å; D112-K114 HydrophobicContact CB-CG 4.46Å; D112-K114 PolarHBondContact O-N 3.12Å; D112-K114 VanDerWaalsContact OD1-CB 3.26Å; D112-K114 WeakPolarHBondContact OD1-CB 3.28Å; D112-K114 WeakPolarHBondContact OD1-CG 3.43Å; D112-K114 PolarHBondContact OD1-N 3.43Å; D112-K114 WeakPolarHBondContact OD2-CD 3.39Å
113	G	83.2	Confident	73.7	Confident	33 Å²	33	60.8 Å²	60.8	34%	0.34	33%	0.327	S	S	.	.	S	Bend	trans	85.6	-20.7	-179.5	0	0	0	0	0	113.3	D111 K217	D111-G113 PolarHBondContact O-N 3.47Å; G113-K217 VanDerWaalsContact C-NZ 3.3Å; G113-K217 PolarHBondContact O-NZ 3.48Å
114	K	94.4	Very high	76.2	Confident	57 Å²	57	54.3 Å²	54.3	25%	0.248	29%	0.288	C	S	.	.			trans	-84.9	148.5	-161	-56.4	-173.8	-174.3	-173.3	0	112.8	D112 R189 F216 D334 F360 T361	D112-K114 HydrophobicContact CB-CG 4.46Å; D112-K114 PolarHBondContact O-N 3.12Å; D112-K114 VanDerWaalsContact OD1-CB 3.26Å; D112-K114 WeakPolarHBondContact OD1-CB 3.28Å; D112-K114 WeakPolarHBondContact OD1-CG 3.43Å; D112-K114 PolarHBondContact OD1-N 3.43Å; D112-K114 WeakPolarHBondContact OD2-CD 3.39Å; K114-R189 PolarHBondContact O-NH2 3.44Å; K114-R189 VanDerWaalsContact O-NH2 3.11Å; K114-F216 VanDerWaalsContact O-CZ 3.26Å; K114-F216 WeakPolarHBondContact O-CZ 3.47Å; K114-D334 WeakPolarHBondContact CE-OD2 3.41Å; K114-D334 IonicContact NZ-OD1 3.24Å; K114-D334 IonicContact NZ-OD2 2.85Å; K114-D334 PolarHBondContact NZ-OD2 2.97Å; K114-F360 VanDerWaalsContact CA-O 3.26Å; K114-F360 WeakPolarHBondContact CA-O 3.33Å; K114-F360 WeakPolarHBondContact CB-O 3.38Å; K114-T361 HydrophobicContact CD-CG2 3.91Å; K114-T361 HydrophobicContact CG-CG2 3.78Å
115	L	97.3	Very high	78.6	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.7	163.6	-179.4	78.8	0	0	0	108.1	D147 V148 F216 L221 L259 L331 S359 F360	L115-D147 WeakPolarHBondContact CA-OD2 3.48Å; L115-D147 HydrophobicContact CD1-CB 3.82Å; L115-V148 HydrophobicContact CD1-CG2 4.35Å; L115-F216 HydrophobicContact CB-CD1 4.24Å; L115-F216 HydrophobicContact CB-CE1 3.9Å; L115-F216 HydrophobicContact CB-CZ 4.21Å; L115-F216 HydrophobicContact CD1-CB 4.35Å; L115-F216 HydrophobicContact CD1-CD1 3.99Å; L115-F216 HydrophobicContact CD1-CD2 3.79Å; L115-F216 HydrophobicContact CD1-CE1 4.23Å; L115-F216 HydrophobicContact CD1-CE2 4.03Å; L115-F216 HydrophobicContact CD1-CG 3.77Å; L115-F216 HydrophobicContact CD1-CZ 4.25Å; L115-L221 HydrophobicContact CD1-CD2 4.27Å; L115-L221 HydrophobicContact CD2-CD2 3.57Å; L115-L259 HydrophobicContact CD2-CD1 3.44Å; L115-L259 VanDerWaalsContact CD2-CD1 3.44Å; L115-L331 HydrophobicContact CD2-CD1 3.87Å; L115-S359 CarbonylContact O-C 3.58Å; L115-S359 WeakPolarHBondContact O-CA 3.28Å; L115-F360 HydrophobicContact CB-CB 4.36Å; L115-F360 HydrophobicContact CD2-CD2 4.24Å; L115-F360 PolarHBondContact N-O 3.4Å; L115-F360 PolarHBondContact O-N 3.01Å
116	S	98.3	Very high	81.2	Confident	11 Å²	11	47.8 Å²	47.8	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.6	177.5	55.4	0	0	0	0	111.8	P146 D147 V148 C358	S116-P146 WeakPolarHBondContact OG-CA 3.42Å; S116-D147 PolarHBondContact N-OD2 2.87Å; S116-D147 WeakPolarHBondContact O-CB 3.46Å; S116-D147 PolarHBondContact O-N 3.36Å; S116-D147 PolarHBondContact OG-N 2.95Å; S116-D147 PolarHBondContact OG-OD2 3.31Å; S116-V148 PolarHBondContact O-N 2.91Å; S116-V148 VanDerWaalsContact O-N 3.1Å; S116-C358 CarbonylContact C-O 3.58Å; S116-C358 WeakPolarHBondContact CA-O 3.37Å
117	L	98.8	Very high	83.5	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.7	-177.2	173.4	67.5	0	0	0	109.9	V148 F150 V318 Y357 C358 F360	L117-V148 CarbonylContact C-O 3.56Å; L117-V148 WeakPolarHBondContact CA-O 3Å; L117-V148 HydrophobicContact CD1-CB 3.75Å; L117-V148 HydrophobicContact CD1-CG1 3.54Å; L117-F150 HydrophobicContact CD1-CD1 4.17Å; L117-F150 HydrophobicContact CD1-CD2 3.62Å; L117-F150 HydrophobicContact CD1-CE1 4.11Å; L117-F150 HydrophobicContact CD1-CE2 3.55Å; L117-F150 HydrophobicContact CD1-CG 3.93Å; L117-F150 HydrophobicContact CD1-CZ 3.81Å; L117-F150 HydrophobicContact CD2-CD2 4.12Å; L117-F150 HydrophobicContact CD2-CE2 3.8Å; L117-F150 HydrophobicContact CG-CD2 4.39Å; L117-F150 HydrophobicContact CG-CE2 4.32Å; L117-V318 HydrophobicContact CD2-CG1 3.87Å; L117-V318 HydrophobicContact CD2-CG2 4.29Å; L117-Y357 CarbonylContact O-C 3.53Å; L117-Y357 WeakPolarHBondContact O-CA 3.37Å; L117-C358 HydrophobicContact CB-CB 4.42Å; L117-C358 PolarHBondContact N-O 3.11Å; L117-C358 PolarHBondContact O-N 3.46Å; L117-F360 HydrophobicContact CB-CE2 4.08Å; L117-F360 HydrophobicContact CD2-CE2 4.44Å
118	I	98.9	Very high	86.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.2	158.4	-70.2	-179.3	0	0	0	109	W120 L141 P146 V148 V149 F150 I339 I356 Y357	I118-W120 HydrophobicContact CG2-CB 4.36Å; I118-W120 HydrophobicContact CG2-CE3 4.43Å; I118-L141 HydrophobicContact CD1-CD2 4.43Å; I118-P146 HydrophobicContact CB-CB 4.5Å; I118-P146 HydrophobicContact CB-CG 4.42Å; I118-P146 HydrophobicContact CD1-CB 4.22Å; I118-P146 HydrophobicContact CD1-CG 3.76Å; I118-P146 HydrophobicContact CG1-CB 3.98Å; I118-P146 HydrophobicContact CG1-CG 4.01Å; I118-V148 PolarHBondContact N-O 2.86Å; I118-V149 HydrophobicContact CB-CG1 4.13Å; I118-V149 HydrophobicContact CG2-CG1 4.07Å; I118-V149 CarbonylContact O-C 3.58Å; I118-V149 VanDerWaalsContact O-CA 3.28Å; I118-V149 WeakPolarHBondContact O-CA 3.45Å; I118-F150 PolarHBondContact O-N 2.83Å; I118-I339 HydrophobicContact CD1-CD1 3.63Å; I118-I339 HydrophobicContact CG1-CD1 4.05Å; I118-I339 HydrophobicContact CG2-CD1 3.96Å; I118-I356 CarbonylContact C-O 3.59Å; I118-I356 VanDerWaalsContact CA-O 3.24Å; I118-I356 WeakPolarHBondContact CA-O 3.28Å; I118-Y357 HydrophobicContact CD1-CD2 4.49Å; I118-Y357 HydrophobicContact CG1-CD2 3.91Å
119	S	98.9	Very high	88.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	165.8	-176	0	0	0	0	109.6	F150 G262 I356	S119-F150 CarbonylContact C-O 3.57Å; S119-F150 VanDerWaalsContact CA-O 3.29Å; S119-F150 WeakPolarHBondContact CA-O 3.48Å; S119-G262 VanDerWaalsContact OG-CA 3.32Å; S119-G262 WeakPolarHBondContact OG-CA 3.24Å; S119-G262 PolarHBondContact OG-N 3.28Å; S119-I356 PolarHBondContact N-O 3.23Å; S119-I356 PolarHBondContact O-N 2.61Å
120	W	98.9	Very high	90.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	121.5	-174.1	-151.7	-16.4	0	0	0	112.8	I118 V122 L137 Y140 F150 L151 Q152 I339 G340 T350 H353 G355	I118-W120 HydrophobicContact CG2-CB 4.36Å; I118-W120 HydrophobicContact CG2-CE3 4.43Å; W120-V122 HydrophobicContact CB-CG1 4.33Å; W120-V122 HydrophobicContact CG-CG1 4.36Å; W120-V122 PolarHBondContact O-N 3.07Å; W120-L137 HydrophobicContact CD2-CD1 4.43Å; W120-L137 HydrophobicContact CE3-CD1 3.62Å; W120-L137 HydrophobicContact CZ3-CD1 4Å; W120-Y140 AromaticContact CH2-CD2 3.6Å; W120-Y140 HydrophobicContact CH2-CD2 3.6Å; W120-Y140 AromaticContact CH2-CE2 3.83Å; W120-Y140 HydrophobicContact CH2-CE2 3.83Å; W120-Y140 HydrophobicContact CH2-CG 4.14Å; W120-Y140 AromaticContact CZ3-CD2 3.64Å; W120-Y140 HydrophobicContact CZ3-CD2 3.64Å; W120-Y140 HydrophobicContact CZ3-CE2 4.33Å; W120-Y140 AromaticContact CZ3-CG 3.82Å; W120-Y140 HydrophobicContact CZ3-CG 3.82Å; W120-F150 PolarHBondContact N-O 3.27Å; W120-L151 HydrophobicContact CB-CD2 4.18Å; W120-L151 WeakPolarHBondContact O-CA 3.48Å; W120-Q152 PolarHBondContact O-N 2.77Å; W120-Q152 VanDerWaalsContact O-N 3.07Å; W120-Q152 PolarHBondContact O-OE1 3.2Å; W120-I339 HydrophobicContact CE3-CD1 3.83Å; W120-I339 HydrophobicContact CE3-CG1 4.18Å; W120-I339 HydrophobicContact CH2-CD1 4.46Å; W120-I339 HydrophobicContact CH2-CG1 4.26Å; W120-I339 HydrophobicContact CZ3-CD1 3.66Å; W120-I339 HydrophobicContact CZ3-CG1 3.91Å; W120-G340 VanDerWaalsContact CH2-CA 3.45Å; W120-T350 HydrophobicContact CH2-CG2 3.72Å; W120-T350 HydrophobicContact CZ2-CG2 3.67Å; W120-T350 HydrophobicContact CZ3-CG2 4.32Å; W120-H353 PolarHBondContact NE1-O 3.38Å; W120-G355 VanDerWaalsContact CD2-CA 3.48Å; W120-G355 VanDerWaalsContact CE2-N 3.31Å; W120-G355 VanDerWaalsContact CG-CA 3.46Å
121	N	98.9	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.6	159	-176.1	-21.8	0	0	0	109	D123 Q152 E153 D263 S351 H353	N121-D123 PolarHBondContact OD1-N 3.06Å; N121-Q152 HydrophobicContact CB-CB 4.06Å; N121-Q152 VanDerWaalsContact N-OE1 3.12Å; N121-E153 PolarHBondContact ND2-OE1 3.16Å; N121-E153 WeakPolarHBondContact OD1-CB 3.44Å; N121-E153 VanDerWaalsContact OD1-CG 3.24Å; N121-E153 WeakPolarHBondContact OD1-CG 3.25Å; N121-E153 PolarHBondContact OD1-OE1 3.27Å; N121-D263 HydrophobicContact CB-CB 4.17Å; N121-D263 PolarHBondContact ND2-OD2 2.91Å; N121-D263 VanDerWaalsContact ND2-OD2 3.09Å; N121-S351 VanDerWaalsContact O-CB 3.28Å; N121-S351 WeakPolarHBondContact O-CB 3.42Å; N121-S351 PolarHBondContact O-OG 2.96Å; N121-H353 HydrophobicContact CB-CB 4.15Å
122	V	98.6	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.			trans	-95.2	0.7	-171.6	-61.4	0	0	0	0	113.7	W120 G124 R133 L137 L151 Q152 L154 Y158	W120-V122 HydrophobicContact CB-CG1 4.33Å; W120-V122 HydrophobicContact CG-CG1 4.36Å; W120-V122 PolarHBondContact O-N 3.07Å; V122-G124 VanDerWaalsContact C-N 3.27Å; V122-G124 PolarHBondContact O-N 3.37Å; V122-R133 PolarHBondContact O-NH2 2.86Å; V122-L137 HydrophobicContact CG1-CD1 4.42Å; V122-L137 HydrophobicContact CG1-CD2 3.85Å; V122-L151 HydrophobicContact CG1-CD2 3.82Å; V122-Q152 WeakPolarHBondContact CG2-O 3.27Å; V122-Q152 PolarHBondContact N-O 3.05Å; V122-L154 HydrophobicContact CG2-CD2 3.93Å; V122-Y158 HydrophobicContact CB-CE2 4.01Å; V122-Y158 HydrophobicContact CG2-CD2 4.18Å; V122-Y158 HydrophobicContact CG2-CE2 3.66Å
123	D	98.1	Very high	95.6	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.139	C	C	.	.			trans	50.7	46.1	177.3	-176	30.9	0	0	0	111.9	N121 L125 D126 R133 K305 D352	N121-D123 PolarHBondContact OD1-N 3.06Å; D123-L125 PolarHBondContact O-N 3.17Å; D123-L125 VanDerWaalsContact O-N 3.1Å; D123-D126 PolarHBondContact O-N 3.31Å; D123-D126 VanDerWaalsContact OD2-CB 3.22Å; D123-D126 WeakPolarHBondContact OD2-CB 3.36Å; D123-R133 PolarHBondContact O-NH2 2.93Å; D123-R133 IonicContact OD2-NH2 3.23Å; D123-K305 IonicContact OD1-NZ 2.74Å; D123-K305 PolarHBondContact OD1-NZ 3.38Å; D123-K305 VanDerWaalsContact OD2-CE 3.31Å; D123-K305 WeakPolarHBondContact OD2-CE 3.44Å; D123-K305 IonicContact OD2-NZ 3.41Å; D123-K305 PolarHBondContact OD2-NZ 2.91Å; D123-D352 WeakPolarHBondContact CB-OD1 3.44Å
124	G	96.9	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.9	178.8	0	0	0	0	0	113.5	V122 D126 E153	V122-G124 VanDerWaalsContact C-N 3.27Å; V122-G124 PolarHBondContact O-N 3.37Å; G124-D126 VanDerWaalsContact C-N 3.32Å; G124-E153 WeakPolarHBondContact CA-O 3.37Å; G124-E153 PolarHBondContact N-O 3.1Å
125	L	93.6	Very high	96.1	Very high	90 Å²	90	22.8 Å²	22.8	47%	0.471	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-23.9	171.2	-65.3	179.6	0	0	0	112.9	D123 T127 I155 Y179	D123-L125 PolarHBondContact O-N 3.17Å; D123-L125 VanDerWaalsContact O-N 3.1Å; L125-T127 PolarHBondContact O-N 2.83Å; L125-I155 HydrophobicContact CD2-CG2 4.42Å; L125-Y179 HydrophobicContact CD1-CD1 4.18Å; L125-Y179 HydrophobicContact CD1-CE1 4.41Å; L125-Y179 HydrophobicContact CD1-CG 4.22Å; L125-Y179 HydrophobicContact CD2-CD1 3.93Å; L125-Y179 HydrophobicContact CD2-CG 4Å; L125-Y179 HydrophobicContact CG-CG 4.34Å
126	D	94.5	Very high	96.1	Very high	18 Å²	18	22.9 Å²	22.9	10%	0.096	12%	0.123	C	C	.	.			trans	-84	108	170.2	-179.8	12	0	0	0	109.5	D123 G124 D128 R133 R348	D123-D126 PolarHBondContact O-N 3.31Å; D123-D126 VanDerWaalsContact OD2-CB 3.22Å; D123-D126 WeakPolarHBondContact OD2-CB 3.36Å; G124-D126 VanDerWaalsContact C-N 3.32Å; D126-D128 VanDerWaalsContact C-N 3.3Å; D126-D128 WeakPolarHBondContact OD1-CB 3.4Å; D126-D128 PolarHBondContact OD1-N 2.82Å; D126-D128 VanDerWaalsContact OD1-N 3.15Å; D126-R133 VanDerWaalsContact CG-NH1 3.29Å; D126-R133 PolarHBondContact O-NH1 3.33Å; D126-R133 IonicContact OD1-NH1 3.48Å; D126-R133 IonicContact OD2-CZ 3.48Å; D126-R133 IonicContact OD2-NH1 2.91Å; D126-R133 PolarHBondContact OD2-NH1 3.44Å; D126-R348 IonicContact OD1-NH2 3.11Å; D126-R348 IonicContact OD2-CZ 3.26Å; D126-R348 IonicContact OD2-NH2 2.61Å; D126-R348 PolarHBondContact OD2-NH2 2.99Å
127	T	91.2	Very high	96	Very high	77 Å²	77	22.3 Å²	22.3	47%	0.472	12%	0.119	S	C	.	.			trans	-81.2	-10.5	-177.1	56.9	0	0	0	0	113.1	F71 L125 N129 L130	F71-T127 HydrophobicContact CD1-CG2 4.48Å; F71-T127 HydrophobicContact CE1-CG2 3.65Å; F71-T127 HydrophobicContact CE2-CG2 4.2Å; F71-T127 HydrophobicContact CZ-CG2 3.51Å; L125-T127 PolarHBondContact O-N 2.83Å; T127-N129 PolarHBondContact O-N 3.4Å; T127-L130 PolarHBondContact O-N 2.87Å
128	D	93.1	Very high	95.9	Very high	82 Å²	82	22.2 Å²	22.2	44%	0.439	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	123	176.6	-71.9	-14.4	0	0	0	110.5	D126 L130 R133 R348	D126-D128 VanDerWaalsContact C-N 3.3Å; D126-D128 WeakPolarHBondContact OD1-CB 3.4Å; D126-D128 PolarHBondContact OD1-N 2.82Å; D126-D128 VanDerWaalsContact OD1-N 3.15Å; D128-L130 PolarHBondContact O-N 2.84Å; D128-L130 VanDerWaalsContact O-N 3.08Å; D128-R133 WeakPolarHBondContact O-CD 3.35Å; D128-R133 PolarHBondContact O-NH1 2.87Å; D128-R348 VanDerWaalsContact CB-NH1 3.35Å; D128-R348 IonicContact OD2-CZ 3.95Å; D128-R348 IonicContact OD2-NH1 3.72Å; D128-R348 PolarHBondContact OD2-NH1 3.44Å; D128-R348 IonicContact OD2-NH2 2.67Å
129	N	94.8	Very high	95.7	Very high	74 Å²	74	25.4 Å²	25.4	40%	0.396	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	29.7	178.5	-54.7	101.7	0	0	0	113.5	T127 A131 E132 R133 C346 R348	T127-N129 PolarHBondContact O-N 3.4Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.47Å; N129-E132 PolarHBondContact O-N 3.23Å; N129-E132 VanDerWaalsContact O-N 3.15Å; N129-R133 WeakPolarHBondContact O-CG 3.49Å; N129-R133 PolarHBondContact O-N 2.97Å; N129-C346 HydrophobicContact CB-CB 4.13Å; N129-C346 WeakPolarHBondContact ND2-CB 3.19Å; N129-R348 VanDerWaalsContact OD1-CD 3.25Å; N129-R348 WeakPolarHBondContact OD1-CD 3.41Å
130	L	94.1	Very high	95.6	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-41.2	-170.8	-177.8	61.1	0	0	0	113.1	F67 F71 T127 D128 E132 R133 A134 I155 Y158	F67-L130 HydrophobicContact CD1-CD2 3.7Å; F67-L130 HydrophobicContact CD1-CG 4.18Å; F67-L130 HydrophobicContact CE1-CD2 3.71Å; F67-L130 HydrophobicContact CE1-CG 3.91Å; F71-L130 HydrophobicContact CE2-CD2 4.42Å; F71-L130 HydrophobicContact CZ-CD2 4.17Å; T127-L130 PolarHBondContact O-N 2.87Å; D128-L130 PolarHBondContact O-N 2.84Å; D128-L130 VanDerWaalsContact O-N 3.08Å; L130-E132 PolarHBondContact O-N 3.19Å; L130-R133 PolarHBondContact O-N 2.93Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 2.75Å; L130-I155 HydrophobicContact CD2-CD1 3.82Å; L130-Y158 HydrophobicContact CD1-CD2 3.8Å; L130-Y158 HydrophobicContact CD1-CE2 3.77Å
131	A	92.4	Very high	95.4	Very high	14 Å²	14	26.7 Å²	26.7	12%	0.116	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-43.9	178.7	0	0	0	0	0	112.4	F67 N129 A134 R135	F67-A131 HydrophobicContact CD2-CB 3.68Å; F67-A131 HydrophobicContact CE2-CB 3.71Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.47Å; A131-A134 PolarHBondContact O-N 3.21Å; A131-R135 PolarHBondContact O-N 2.99Å
132	E	94.4	Very high	95.1	Very high	38 Å²	38	28.6 Å²	28.6	18%	0.178	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-39.3	177.4	-167	-175.2	136.9	0	0	111.2	N129 L130 R135 G136 L344 D345 C346	N129-E132 PolarHBondContact O-N 3.23Å; N129-E132 VanDerWaalsContact O-N 3.15Å; L130-E132 PolarHBondContact O-N 3.19Å; E132-R135 WeakPolarHBondContact O-CB 3.41Å; E132-R135 PolarHBondContact O-N 2.95Å; E132-G136 PolarHBondContact O-N 3.22Å; E132-L344 HydrophobicContact CG-CB 4.47Å; E132-L344 HydrophobicContact CG-CD1 4.44Å; E132-L344 WeakPolarHBondContact OE1-CB 3.49Å; E132-D345 PolarHBondContact OE1-N 3.5Å; E132-C346 VanDerWaalsContact CD-SG 3.53Å; E132-C346 WeakPolarHBondContact OE1-CB 3.48Å; E132-C346 PolarHBondContact OE1-N 3.13Å; E132-C346 PolarHBondContact OE1-SG 2.92Å; E132-C346 VanDerWaalsContact OE2-CB 3.27Å; E132-C346 WeakPolarHBondContact OE2-CB 3.35Å
133	R	97.6	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-41.1	174.3	-74.3	170.1	53.8	-145.1	-8.1	112.5	V122 D123 D126 D128 N129 L130 R135 G136 L137 L344 T350	V122-R133 PolarHBondContact O-NH2 2.86Å; D123-R133 PolarHBondContact O-NH2 2.93Å; D123-R133 IonicContact OD2-NH2 3.23Å; D126-R133 VanDerWaalsContact CG-NH1 3.29Å; D126-R133 PolarHBondContact O-NH1 3.33Å; D126-R133 IonicContact OD1-NH1 3.48Å; D126-R133 IonicContact OD2-CZ 3.48Å; D126-R133 IonicContact OD2-NH1 2.91Å; D126-R133 PolarHBondContact OD2-NH1 3.44Å; D128-R133 WeakPolarHBondContact O-CD 3.35Å; D128-R133 PolarHBondContact O-NH1 2.87Å; N129-R133 WeakPolarHBondContact O-CG 3.49Å; N129-R133 PolarHBondContact O-N 2.97Å; L130-R133 PolarHBondContact O-N 2.93Å; R133-R135 VanDerWaalsContact C-N 3.3Å; R133-R135 PolarHBondContact O-N 3.46Å; R133-G136 WeakPolarHBondContact O-CA 3.48Å; R133-G136 PolarHBondContact O-N 3.23Å; R133-G136 VanDerWaalsContact O-N 3.13Å; R133-L137 PolarHBondContact O-N 2.95Å; R133-L344 HydrophobicContact CB-CD1 4.33Å; R133-L344 HydrophobicContact CG-CD1 3.83Å; R133-T350 WeakPolarHBondContact CB-O 3.49Å; R133-T350 PolarHBondContact NE-O 2.98Å
134	A	96.1	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-37.4	173.3	0	0	0	0	0	112.3	F67 L130 A131 L137 C138 Y158 Y161	F67-A134 HydrophobicContact CZ-CB 4.42Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 2.75Å; A131-A134 PolarHBondContact O-N 3.21Å; A134-L137 WeakPolarHBondContact O-CB 3.32Å; A134-L137 PolarHBondContact O-N 3.28Å; A134-C138 PolarHBondContact O-N 3Å; A134-C138 VanDerWaalsContact O-N 3.07Å; A134-Y158 WeakPolarHBondContact CA-OH 3.48Å; A134-Y158 HydrophobicContact CB-CD1 4.09Å; A134-Y158 HydrophobicContact CB-CE1 3.52Å; A134-Y158 HydrophobicContact CB-CE2 4.32Å; A134-Y161 HydrophobicContact CB-CD1 3.65Å; A134-Y161 HydrophobicContact CB-CE1 3.64Å; A134-Y161 HydrophobicContact CB-CG 4.25Å
135	R	93.4	Very high	94.5	Very high	59 Å²	59	40.4 Å²	40.4	22%	0.223	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-39.2	171.3	-166.7	-170.3	-48.4	147.9	9	112.4	E60 A131 E132 R133 L137 C138 S139 Y161	E60-R135 IonicContact OE1-CZ 3.99Å; E60-R135 IonicContact OE1-NE 3.65Å; E60-R135 PolarHBondContact OE1-NE 3.45Å; E60-R135 IonicContact OE1-NH1 3.96Å; E60-R135 PolarHBondContact OE1-NH1 2.94Å; E60-R135 IonicContact OE1-NH2 3.31Å; E60-R135 PolarHBondContact OE1-NH2 3.47Å; E60-R135 IonicContact OE2-CZ 2.72Å; E60-R135 IonicContact OE2-NH1 3.52Å; E60-R135 PolarHBondContact OE2-NH1 3.13Å; E60-R135 IonicContact OE2-NH2 3.29Å; E60-R135 PolarHBondContact OE2-NH2 2.88Å; A131-R135 PolarHBondContact O-N 2.99Å; E132-R135 WeakPolarHBondContact O-CB 3.41Å; E132-R135 PolarHBondContact O-N 2.95Å; R133-R135 VanDerWaalsContact C-N 3.3Å; R133-R135 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-L137 PolarHBondContact O-N 3.14Å; R135-C138 PolarHBondContact O-N 3.44Å; R135-S139 PolarHBondContact O-N 3.09Å; R135-S139 PolarHBondContact O-OG 2.84Å; R135-Y161 VanDerWaalsContact CA-OH 3.23Å; R135-Y161 WeakPolarHBondContact CA-OH 3.26Å; R135-Y161 WeakPolarHBondContact CB-OH 3.36Å; R135-Y161 PolarHBondContact N-OH 3.35Å
136	G	95.9	Very high	94.7	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-52.7	-51.5	171.2	0	0	0	0	0	111	E132 R133 C138 S139 Y140	E132-G136 PolarHBondContact O-N 3.22Å; R133-G136 WeakPolarHBondContact O-CA 3.48Å; R133-G136 PolarHBondContact O-N 3.23Å; R133-G136 VanDerWaalsContact O-N 3.13Å; G136-C138 PolarHBondContact O-N 3.23Å; G136-S139 WeakPolarHBondContact O-CB 3.46Å; G136-S139 PolarHBondContact O-N 3.32Å; G136-S139 VanDerWaalsContact O-N 3.16Å; G136-Y140 WeakPolarHBondContact O-CD2 3.46Å; G136-Y140 PolarHBondContact O-N 3.47Å
137	L	97.8	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.8	-49.9	174.2	174.2	64.9	0	0	0	112.2	W120 V122 R133 A134 R135 S139 Y140 L141 L151 Y158 L162 T350	W120-L137 HydrophobicContact CD2-CD1 4.43Å; W120-L137 HydrophobicContact CE3-CD1 3.62Å; W120-L137 HydrophobicContact CZ3-CD1 4Å; V122-L137 HydrophobicContact CG1-CD1 4.42Å; V122-L137 HydrophobicContact CG1-CD2 3.85Å; R133-L137 PolarHBondContact O-N 2.95Å; A134-L137 WeakPolarHBondContact O-CB 3.32Å; A134-L137 PolarHBondContact O-N 3.28Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-L137 PolarHBondContact O-N 3.14Å; L137-S139 PolarHBondContact O-N 3.26Å; L137-Y140 WeakPolarHBondContact O-CB 3.36Å; L137-Y140 PolarHBondContact O-N 2.97Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 2.79Å; L137-L151 HydrophobicContact CD1-CD2 4.27Å; L137-L151 HydrophobicContact CD2-CD1 4.04Å; L137-L151 HydrophobicContact CD2-CD2 4.19Å; L137-Y158 HydrophobicContact CD2-CE1 3.87Å; L137-L162 HydrophobicContact CD2-CD2 4.13Å; L137-T350 HydrophobicContact CB-CG2 4.11Å
138	C	95.9	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-37.7	177.9	-77.9	0	0	0	0	112.5	L97 A134 R135 G136 Y140 L141 V142	L97-C138 HydrophobicContact CD1-CB 3.98Å; A134-C138 PolarHBondContact O-N 3Å; A134-C138 VanDerWaalsContact O-N 3.07Å; R135-C138 PolarHBondContact O-N 3.44Å; G136-C138 PolarHBondContact O-N 3.23Å; C138-Y140 VanDerWaalsContact C-N 3.3Å; C138-Y140 PolarHBondContact O-N 3.25Å; C138-L141 WeakPolarHBondContact O-CB 3.43Å; C138-L141 PolarHBondContact O-N 3.28Å; C138-V142 WeakPolarHBondContact O-CG2 3.16Å; C138-V142 PolarHBondContact O-N 2.9Å
139	S	94.2	Very high	95.5	Very high	68 Å²	68	27.8 Å²	27.8	48%	0.476	15%	0.147	S	C	.	.	H	α-helix	trans	-60.1	-39.8	176.6	-55.4	0	0	0	0	111.9	R135 G136 L137 V142 L143	R135-S139 PolarHBondContact O-N 3.09Å; R135-S139 PolarHBondContact O-OG 2.84Å; G136-S139 WeakPolarHBondContact O-CB 3.46Å; G136-S139 PolarHBondContact O-N 3.32Å; G136-S139 VanDerWaalsContact O-N 3.16Å; L137-S139 PolarHBondContact O-N 3.26Å; S139-V142 PolarHBondContact O-N 2.82Å; S139-L143 VanDerWaalsContact O-CB 3.31Å; S139-L143 WeakPolarHBondContact O-CB 3.4Å; S139-L143 PolarHBondContact O-N 3.19Å
140	Y	96.6	Very high	95.7	Very high	25 Å²	25	24.3 Å²	24.3	10%	0.098	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-36.4	172.8	-73.1	-79.7	0	0	0	112.9	W120 G136 L137 C138 V142 L143 Y144 I339 G340 E342	W120-Y140 AromaticContact CH2-CD2 3.6Å; W120-Y140 HydrophobicContact CH2-CD2 3.6Å; W120-Y140 AromaticContact CH2-CE2 3.83Å; W120-Y140 HydrophobicContact CH2-CE2 3.83Å; W120-Y140 HydrophobicContact CH2-CG 4.14Å; W120-Y140 AromaticContact CZ3-CD2 3.64Å; W120-Y140 HydrophobicContact CZ3-CD2 3.64Å; W120-Y140 HydrophobicContact CZ3-CE2 4.33Å; W120-Y140 AromaticContact CZ3-CG 3.82Å; W120-Y140 HydrophobicContact CZ3-CG 3.82Å; G136-Y140 WeakPolarHBondContact O-CD2 3.46Å; G136-Y140 PolarHBondContact O-N 3.47Å; L137-Y140 WeakPolarHBondContact O-CB 3.36Å; L137-Y140 PolarHBondContact O-N 2.97Å; C138-Y140 VanDerWaalsContact C-N 3.3Å; C138-Y140 PolarHBondContact O-N 3.25Å; Y140-V142 VanDerWaalsContact C-N 3.3Å; Y140-V142 PolarHBondContact O-N 2.92Å; Y140-L143 PolarHBondContact O-N 3.43Å; Y140-Y144 HydrophobicContact CD1-CD2 4.07Å; Y140-Y144 AromaticContact CD1-CE2 3.73Å; Y140-Y144 HydrophobicContact CD1-CE2 3.73Å; Y140-Y144 HydrophobicContact CE1-CE2 4.31Å; Y140-Y144 WeakPolarHBondContact O-CB 3.25Å; Y140-Y144 WeakPolarHBondContact O-CD2 3.43Å; Y140-Y144 PolarHBondContact O-N 2.94Å; Y140-I339 HydrophobicContact CD1-CB 3.88Å; Y140-I339 HydrophobicContact CD1-CD1 4.14Å; Y140-I339 HydrophobicContact CD1-CG1 4.42Å; Y140-I339 HydrophobicContact CE1-CB 3.96Å; Y140-I339 HydrophobicContact CG-CD1 4.32Å; Y140-G340 VanDerWaalsContact CZ-CA 3.42Å; Y140-G340 VanDerWaalsContact CZ-N 3.32Å; Y140-G340 VanDerWaalsContact OH-CA 3.25Å; Y140-G340 WeakPolarHBondContact OH-CA 3.38Å; Y140-G340 PolarHBondContact OH-N 2.84Å; Y140-E342 PolarHBondContact OH-OE2 3.03Å
141	L	96	Very high	96	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-38.7	175	-60.6	-176.3	0	0	0	111.5	T98 I118 L137 C138 T145 P146 V149 A166 M184	T98-L141 HydrophobicContact CG2-CB 4.1Å; I118-L141 HydrophobicContact CD1-CD2 4.43Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 2.79Å; C138-L141 WeakPolarHBondContact O-CB 3.43Å; C138-L141 PolarHBondContact O-N 3.28Å; L141-T145 WeakPolarHBondContact O-CA 3.38Å; L141-T145 PolarHBondContact O-N 2.83Å; L141-P146 HydrophobicContact CD2-CG 4.11Å; L141-V149 HydrophobicContact CD2-CG1 4.13Å; L141-V149 HydrophobicContact CD2-CG2 3.68Å; L141-A166 HydrophobicContact CD1-CB 4.27Å; L141-M184 HydrophobicContact CD1-CE 3.83Å; L141-M184 HydrophobicContact CD1-SD 4.09Å
142	V	92.1	Very high	96.3	Very high	41 Å²	41	23.3 Å²	23.3	25%	0.248	12%	0.121	C	C	.	.	H	α-helix	trans	-70.5	-42.5	175.6	177.7	0	0	0	0	111.6	L97 T98 C138 S139 Y140 T145	L97-V142 HydrophobicContact CB-CG2 4.15Å; L97-V142 WeakPolarHBondContact O-CG2 3.47Å; T98-V142 HydrophobicContact CG2-CG2 4.19Å; C138-V142 WeakPolarHBondContact O-CG2 3.16Å; C138-V142 PolarHBondContact O-N 2.9Å; S139-V142 PolarHBondContact O-N 2.82Å; Y140-V142 VanDerWaalsContact C-N 3.3Å; Y140-V142 PolarHBondContact O-N 2.92Å; V142-T145 WeakPolarHBondContact O-CG2 3.4Å
143	L	91.8	Very high	96.5	Very high	124 Å²	124	22.6 Å²	22.6	65%	0.649	12%	0.118	S	C	*	.	H	α-helix	trans	-67.6	-46.1	-177.7	178	60	0	0	0	112.5	S139 Y140	S139-L143 VanDerWaalsContact O-CB 3.31Å; S139-L143 WeakPolarHBondContact O-CB 3.4Å; S139-L143 PolarHBondContact O-N 3.19Å; Y140-L143 PolarHBondContact O-N 3.43Å
144	Y	94.2	Very high	96.5	Very high	75 Å²	75	22.7 Å²	22.7	29%	0.294	12%	0.118	S	C	.	.	H	α-helix	trans	-93.5	-22.9	-175.2	-73.2	-91.8	0	0	0	112.9	Y140 P146 I339 Y357	Y140-Y144 HydrophobicContact CD1-CD2 4.07Å; Y140-Y144 AromaticContact CD1-CE2 3.73Å; Y140-Y144 HydrophobicContact CD1-CE2 3.73Å; Y140-Y144 HydrophobicContact CE1-CE2 4.31Å; Y140-Y144 WeakPolarHBondContact O-CB 3.25Å; Y140-Y144 WeakPolarHBondContact O-CD2 3.43Å; Y140-Y144 PolarHBondContact O-N 2.94Å; Y144-P146 VanDerWaalsContact C-N 3.31Å; Y144-I339 HydrophobicContact CE1-CG2 4.14Å; Y144-I339 HydrophobicContact CE2-CG2 3.81Å; Y144-Y357 HydrophobicContact CD1-CD1 4.21Å; Y144-Y357 AromaticContact CD1-CD2 3.54Å; Y144-Y357 HydrophobicContact CD1-CD2 3.54Å; Y144-Y357 HydrophobicContact CD1-CE1 4.32Å; Y144-Y357 AromaticContact CD1-CE2 3.67Å; Y144-Y357 HydrophobicContact CD1-CE2 3.67Å; Y144-Y357 AromaticContact CD1-CG 3.82Å; Y144-Y357 HydrophobicContact CD1-CG 3.82Å; Y144-Y357 HydrophobicContact CE1-CD1 4.24Å; Y144-Y357 HydrophobicContact CE1-CD2 4.25Å; Y144-Y357 HydrophobicContact CE1-CG 4.06Å; Y144-Y357 HydrophobicContact CG-CD2 4.11Å; Y144-Y357 HydrophobicContact CG-CE2 4.3Å
145	T	95.3	Very high	96.6	Very high	52 Å²	52	23.3 Å²	23.3	32%	0.319	12%	0.121	S	C	.	.			trans	48.6	43.4	-178.8	66.8	0	0	0	0	114.6	A104 L141 V142	A104-T145 HydrophobicContact CB-CG2 4.47Å; L141-T145 WeakPolarHBondContact O-CA 3.38Å; L141-T145 PolarHBondContact O-N 2.83Å; V142-T145 WeakPolarHBondContact O-CG2 3.4Å
146	P	97.6	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.			trans	-61.1	152.4	-168.5	31.2	-40.8	0	0	0	112.9	S116 I118 L141 Y144 V149 Y169	S116-P146 WeakPolarHBondContact OG-CA 3.42Å; I118-P146 HydrophobicContact CB-CB 4.5Å; I118-P146 HydrophobicContact CB-CG 4.42Å; I118-P146 HydrophobicContact CD1-CB 4.22Å; I118-P146 HydrophobicContact CD1-CG 3.76Å; I118-P146 HydrophobicContact CG1-CB 3.98Å; I118-P146 HydrophobicContact CG1-CG 4.01Å; L141-P146 HydrophobicContact CD2-CG 4.11Å; Y144-P146 VanDerWaalsContact C-N 3.31Å; P146-V149 HydrophobicContact CB-CG2 4.41Å; P146-V149 HydrophobicContact CG-CG2 3.58Å; P146-Y169 VanDerWaalsContact CD-OH 3.29Å; P146-Y169 WeakPolarHBondContact CD-OH 3.31Å; P146-Y169 WeakPolarHBondContact O-CE1 3.21Å; P146-Y169 PolarHBondContact O-OH 3.02Å
147	D	98.4	Very high	96.7	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	12%	0.124	C	C	.	.	S	Bend	trans	-71.3	-38.7	175.2	-63.7	-64.4	0	0	0	112.1	L115 S116 K186 R189 V190	L115-D147 WeakPolarHBondContact CA-OD2 3.48Å; L115-D147 HydrophobicContact CD1-CB 3.82Å; S116-D147 PolarHBondContact N-OD2 2.87Å; S116-D147 WeakPolarHBondContact O-CB 3.46Å; S116-D147 PolarHBondContact O-N 3.36Å; S116-D147 PolarHBondContact OG-N 2.95Å; S116-D147 PolarHBondContact OG-OD2 3.31Å; D147-K186 PolarHBondContact O-N 3.21Å; D147-R189 VanDerWaalsContact OD1-CB 3.29Å; D147-R189 WeakPolarHBondContact OD1-CB 3.28Å; D147-R189 WeakPolarHBondContact OD1-CD 3.49Å; D147-R189 IonicContact OD1-CZ 2.73Å; D147-R189 IonicContact OD1-NE 3.8Å; D147-R189 PolarHBondContact OD1-NE 2.7Å; D147-R189 IonicContact OD2-NE 3.79Å; D147-V190 HydrophobicContact CB-CG2 3.91Å
148	V	98.8	Very high	96.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.1	-176.3	-177.1	0	0	0	0	109.2	L115 S116 L117 I118 F150 M184 L185 V190 L223	L115-V148 HydrophobicContact CD1-CG2 4.35Å; S116-V148 PolarHBondContact O-N 2.91Å; S116-V148 VanDerWaalsContact O-N 3.1Å; L117-V148 CarbonylContact C-O 3.56Å; L117-V148 WeakPolarHBondContact CA-O 3Å; L117-V148 HydrophobicContact CD1-CB 3.75Å; L117-V148 HydrophobicContact CD1-CG1 3.54Å; I118-V148 PolarHBondContact N-O 2.86Å; V148-F150 HydrophobicContact CG1-CD1 3.83Å; V148-F150 HydrophobicContact CG1-CE1 3.28Å; V148-F150 HydrophobicContact CG1-CZ 3.82Å; V148-M184 CarbonylContact C-O 3.55Å; V148-M184 WeakPolarHBondContact CA-O 3.04Å; V148-L185 HydrophobicContact CG1-CD2 4.23Å; V148-L185 HydrophobicContact CG2-CD2 4.25Å; V148-V190 HydrophobicContact CG2-CG2 4.33Å; V148-L223 HydrophobicContact CB-CD1 4.46Å; V148-L223 HydrophobicContact CG1-CD1 3.81Å; V148-L223 HydrophobicContact CG1-CD2 4.48Å; V148-L223 HydrophobicContact CG2-CD1 3.71Å; V148-L223 HydrophobicContact CG2-CD2 4.35Å
149	V	98.9	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.1	172.1	-166.9	0	0	0	0	109	I118 L141 P146 L151 Y169 M183 M184	I118-V149 HydrophobicContact CB-CG1 4.13Å; I118-V149 HydrophobicContact CG2-CG1 4.07Å; I118-V149 CarbonylContact O-C 3.58Å; I118-V149 VanDerWaalsContact O-CA 3.28Å; I118-V149 WeakPolarHBondContact O-CA 3.45Å; L141-V149 HydrophobicContact CD2-CG1 4.13Å; L141-V149 HydrophobicContact CD2-CG2 3.68Å; P146-V149 HydrophobicContact CB-CG2 4.41Å; P146-V149 HydrophobicContact CG-CG2 3.58Å; V149-L151 HydrophobicContact CG1-CD1 4.42Å; V149-L151 HydrophobicContact CG1-CD2 3.59Å; V149-L151 HydrophobicContact CG1-CG 3.84Å; V149-Y169 HydrophobicContact CG2-CE1 4.1Å; V149-M183 CarbonylContact O-C 3.58Å; V149-M183 VanDerWaalsContact O-CA 3.28Å; V149-M183 WeakPolarHBondContact O-CA 3.43Å; V149-M184 HydrophobicContact CB-CB 3.84Å; V149-M184 HydrophobicContact CB-CG 4.14Å; V149-M184 HydrophobicContact CB-SD 4.22Å; V149-M184 HydrophobicContact CG1-SD 4.35Å; V149-M184 HydrophobicContact CG2-CB 4.06Å; V149-M184 HydrophobicContact CG2-SD 4.46Å; V149-M184 PolarHBondContact N-O 3.26Å; V149-M184 PolarHBondContact O-N 3.36Å
150	F	98.9	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.5	170.7	-61.7	-23.9	0	0	0	109	L117 I118 S119 W120 V148 M183 L223 M224 T225	L117-F150 HydrophobicContact CD1-CD1 4.17Å; L117-F150 HydrophobicContact CD1-CD2 3.62Å; L117-F150 HydrophobicContact CD1-CE1 4.11Å; L117-F150 HydrophobicContact CD1-CE2 3.55Å; L117-F150 HydrophobicContact CD1-CG 3.93Å; L117-F150 HydrophobicContact CD1-CZ 3.81Å; L117-F150 HydrophobicContact CD2-CD2 4.12Å; L117-F150 HydrophobicContact CD2-CE2 3.8Å; L117-F150 HydrophobicContact CG-CD2 4.39Å; L117-F150 HydrophobicContact CG-CE2 4.32Å; I118-F150 PolarHBondContact O-N 2.83Å; S119-F150 CarbonylContact C-O 3.57Å; S119-F150 VanDerWaalsContact CA-O 3.29Å; S119-F150 WeakPolarHBondContact CA-O 3.48Å; W120-F150 PolarHBondContact N-O 3.27Å; V148-F150 HydrophobicContact CG1-CD1 3.83Å; V148-F150 HydrophobicContact CG1-CE1 3.28Å; V148-F150 HydrophobicContact CG1-CZ 3.82Å; F150-M183 HydrophobicContact CD1-CE 4.09Å; F150-M183 HydrophobicContact CD1-CG 3.93Å; F150-M183 HydrophobicContact CD1-SD 4.46Å; F150-M183 HydrophobicContact CE1-CE 3.63Å; F150-M183 HydrophobicContact CE1-CG 3.93Å; F150-M183 HydrophobicContact CE1-SD 3.91Å; F150-L223 HydrophobicContact CE1-CB 4.05Å; F150-L223 HydrophobicContact CZ-CB 4.03Å; F150-L223 HydrophobicContact CZ-CD2 4.33Å; F150-M224 WeakPolarHBondContact CE2-O 3.39Å; F150-T225 HydrophobicContact CD1-CG2 4.35Å
151	L	98.9	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.6	-179.8	-59.8	-179.7	0	0	0	110.4	W120 V122 L137 V149 L154 L162 T181 G182 M184	W120-L151 HydrophobicContact CB-CD2 4.18Å; W120-L151 WeakPolarHBondContact O-CA 3.48Å; V122-L151 HydrophobicContact CG1-CD2 3.82Å; L137-L151 HydrophobicContact CD1-CD2 4.27Å; L137-L151 HydrophobicContact CD2-CD1 4.04Å; L137-L151 HydrophobicContact CD2-CD2 4.19Å; V149-L151 HydrophobicContact CG1-CD1 4.42Å; V149-L151 HydrophobicContact CG1-CD2 3.59Å; V149-L151 HydrophobicContact CG1-CG 3.84Å; L151-L154 HydrophobicContact CB-CD1 3.82Å; L151-L154 HydrophobicContact CB-CD2 4.28Å; L151-L154 HydrophobicContact CB-CG 3.92Å; L151-L154 HydrophobicContact CD1-CD1 4.18Å; L151-L154 HydrophobicContact CD1-CD2 4.02Å; L151-L154 HydrophobicContact CD1-CG 4.45Å; L151-L162 HydrophobicContact CD1-CD1 3.75Å; L151-T181 CarbonylContact O-C 3.51Å; L151-T181 VanDerWaalsContact O-CA 3.23Å; L151-T181 WeakPolarHBondContact O-CA 3.43Å; L151-T181 WeakPolarHBondContact O-CB 3.26Å; L151-G182 PolarHBondContact N-O 2.85Å; L151-G182 PolarHBondContact O-N 3.4Å; L151-M184 HydrophobicContact CD1-CG 4.35Å; L151-M184 HydrophobicContact CD1-SD 3.69Å
152	Q	98.9	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.3	172	-57	79.7	49.7	0	0	109.6	W120 N121 V122 L154 T181 T225 H227 D263	W120-Q152 PolarHBondContact O-N 2.77Å; W120-Q152 VanDerWaalsContact O-N 3.07Å; W120-Q152 PolarHBondContact O-OE1 3.2Å; N121-Q152 HydrophobicContact CB-CB 4.06Å; N121-Q152 VanDerWaalsContact N-OE1 3.12Å; V122-Q152 WeakPolarHBondContact CG2-O 3.27Å; V122-Q152 PolarHBondContact N-O 3.05Å; Q152-L154 VanDerWaalsContact C-N 3.3Å; Q152-L154 PolarHBondContact O-N 2.92Å; Q152-T181 HydrophobicContact CB-CG2 4.46Å; Q152-T181 HydrophobicContact CG-CG2 4.05Å; Q152-T225 PolarHBondContact NE2-OG1 3.17Å; Q152-H227 HydrophobicContact CB-CB 4.02Å; Q152-H227 HydrophobicContact CG-CB 3.92Å; Q152-D263 HydrophobicContact CG-CB 4.29Å
153	E	98.5	Very high	96.5	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.103	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.8	38.1	-175.4	-56.7	-170.5	-157.8	0	0	113.8	N121 G124 Y179 F180 H227	N121-E153 PolarHBondContact ND2-OE1 3.16Å; N121-E153 WeakPolarHBondContact OD1-CB 3.44Å; N121-E153 VanDerWaalsContact OD1-CG 3.24Å; N121-E153 WeakPolarHBondContact OD1-CG 3.25Å; N121-E153 PolarHBondContact OD1-OE1 3.27Å; G124-E153 WeakPolarHBondContact CA-O 3.37Å; G124-E153 PolarHBondContact N-O 3.1Å; E153-Y179 HydrophobicContact CG-CD2 4.27Å; E153-F180 PolarHBondContact N-O 3.39Å; E153-H227 IonicContact OE1-CE1 2.66Å; E153-H227 PolarHBondContact OE1-CE1 2.85Å; E153-H227 IonicContact OE1-ND1 3.57Å
154	L	98.4	Very high	96.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.9	163.9	-72.3	174.8	0	0	0	109.8	V122 L151 Q152 Y158 V159 L162 Y179 F180	V122-L154 HydrophobicContact CG2-CD2 3.93Å; L151-L154 HydrophobicContact CB-CD1 3.82Å; L151-L154 HydrophobicContact CB-CD2 4.28Å; L151-L154 HydrophobicContact CB-CG 3.92Å; L151-L154 HydrophobicContact CD1-CD1 4.18Å; L151-L154 HydrophobicContact CD1-CD2 4.02Å; L151-L154 HydrophobicContact CD1-CG 4.45Å; Q152-L154 VanDerWaalsContact C-N 3.3Å; Q152-L154 PolarHBondContact O-N 2.92Å; L154-Y158 HydrophobicContact CD2-CD1 3.96Å; L154-Y158 HydrophobicContact CD2-CE1 4.48Å; L154-Y158 HydrophobicContact CD2-CG 4Å; L154-V159 HydrophobicContact CB-CG2 4.2Å; L154-V159 HydrophobicContact CD1-CG2 4.13Å; L154-L162 HydrophobicContact CD2-CD1 3.88Å; L154-Y179 CarbonylContact O-C 3.47Å; L154-Y179 WeakPolarHBondContact O-CA 3.49Å; L154-Y179 WeakPolarHBondContact O-CB 3.3Å; L154-F180 HydrophobicContact CB-CD2 4.16Å; L154-F180 HydrophobicContact CB-CE2 4.07Å; L154-F180 PolarHBondContact N-O 3.15Å; L154-F180 PolarHBondContact O-N 2.94Å
155	I	97.4	Very high	96.2	Very high	13 Å²	13	20 Å²	20	7%	0.067	10%	0.099	C	C	.	.			trans	-121.8	159.7	169	63.3	164.2	0	0	0	109.1	F71 L125 L130 P157 Y158 V159 A178	F71-I155 HydrophobicContact CE1-CD1 4.49Å; F71-I155 HydrophobicContact CZ-CD1 4.01Å; L125-I155 HydrophobicContact CD2-CG2 4.42Å; L130-I155 HydrophobicContact CD2-CD1 3.82Å; I155-P157 HydrophobicContact CD1-CB 4.36Å; I155-P157 HydrophobicContact CD1-CG 4.01Å; I155-P157 HydrophobicContact CG1-CG 4.4Å; I155-Y158 WeakPolarHBondContact O-CA 3.31Å; I155-Y158 VanDerWaalsContact O-CB 3.3Å; I155-Y158 WeakPolarHBondContact O-CB 3.45Å; I155-Y158 PolarHBondContact O-N 2.88Å; I155-V159 PolarHBondContact O-N 3.47Å; I155-V159 VanDerWaalsContact O-N 3.07Å; I155-A178 WeakPolarHBondContact CG2-O 3.31Å
156	P	96.3	Very high	96.1	Very high	42 Å²	42	17.5 Å²	17.5	27%	0.273	8%	0.084	S	C	.	.	H	α-helix	trans	-52.2	-44.8	-177.6	-23.6	30.9	0	0	0	114.8	Y158 V159 Q160 A178 F180	P156-Y158 VanDerWaalsContact C-N 3.3Å; P156-Y158 PolarHBondContact O-N 3.29Å; P156-V159 PolarHBondContact O-N 3.29Å; P156-V159 VanDerWaalsContact O-N 3.14Å; P156-Q160 WeakPolarHBondContact O-CG 3.42Å; P156-Q160 PolarHBondContact O-N 3.17Å; P156-A178 WeakPolarHBondContact CD-O 3.46Å; P156-F180 HydrophobicContact CG-CE1 4.09Å
157	P	94.8	Very high	95.9	Very high	8 Å²	8	20 Å²	20	5%	0.052	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-39.1	175.1	-23.2	30	0	0	0	113.5	I66 F67 D70 I155 V159 Q160 Y161	I66-P157 HydrophobicContact CG2-CB 4.44Å; F67-P157 HydrophobicContact CD1-CB 3.62Å; F67-P157 HydrophobicContact CE1-CB 3.79Å; D70-P157 HydrophobicContact CB-CG 3.93Å; D70-P157 WeakPolarHBondContact OD2-CG 3.3Å; I155-P157 HydrophobicContact CD1-CB 4.36Å; I155-P157 HydrophobicContact CD1-CG 4.01Å; I155-P157 HydrophobicContact CG1-CG 4.4Å; P157-V159 PolarHBondContact O-N 3.43Å; P157-Q160 PolarHBondContact O-N 2.72Å; P157-Y161 PolarHBondContact O-N 2.86Å
158	Y	96.3	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-42.6	177.8	-150	-44.1	0	0	0	110.3	V122 L130 A134 L137 L154 I155 P156 Y161 L162	V122-Y158 HydrophobicContact CB-CE2 4.01Å; V122-Y158 HydrophobicContact CG2-CD2 4.18Å; V122-Y158 HydrophobicContact CG2-CE2 3.66Å; L130-Y158 HydrophobicContact CD1-CD2 3.8Å; L130-Y158 HydrophobicContact CD1-CE2 3.77Å; A134-Y158 WeakPolarHBondContact CA-OH 3.48Å; A134-Y158 HydrophobicContact CB-CD1 4.09Å; A134-Y158 HydrophobicContact CB-CE1 3.52Å; A134-Y158 HydrophobicContact CB-CE2 4.32Å; L137-Y158 HydrophobicContact CD2-CE1 3.87Å; L154-Y158 HydrophobicContact CD2-CD1 3.96Å; L154-Y158 HydrophobicContact CD2-CE1 4.48Å; L154-Y158 HydrophobicContact CD2-CG 4Å; I155-Y158 WeakPolarHBondContact O-CA 3.31Å; I155-Y158 VanDerWaalsContact O-CB 3.3Å; I155-Y158 WeakPolarHBondContact O-CB 3.45Å; I155-Y158 PolarHBondContact O-N 2.88Å; P156-Y158 VanDerWaalsContact C-N 3.3Å; P156-Y158 PolarHBondContact O-N 3.29Å; Y158-Y161 WeakPolarHBondContact O-CB 3.29Å; Y158-Y161 PolarHBondContact O-N 2.84Å; Y158-L162 HydrophobicContact CD1-CD1 4.02Å; Y158-L162 HydrophobicContact CD1-CG 4.03Å; Y158-L162 HydrophobicContact CE1-CD1 4.31Å; Y158-L162 HydrophobicContact CE1-CD2 4.44Å; Y158-L162 HydrophobicContact CE1-CG 4.3Å; Y158-L162 WeakPolarHBondContact O-CG 3.37Å; Y158-L162 PolarHBondContact O-N 3Å
159	V	96.3	Very high	95.7	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-41.9	176.3	176.1	0	0	0	0	111.6	L154 I155 P156 P157 Y161 L162 K163 E173 F180	L154-V159 HydrophobicContact CB-CG2 4.2Å; L154-V159 HydrophobicContact CD1-CG2 4.13Å; I155-V159 PolarHBondContact O-N 3.47Å; I155-V159 VanDerWaalsContact O-N 3.07Å; P156-V159 PolarHBondContact O-N 3.29Å; P156-V159 VanDerWaalsContact O-N 3.14Å; P157-V159 PolarHBondContact O-N 3.43Å; V159-Y161 VanDerWaalsContact C-N 3.3Å; V159-Y161 PolarHBondContact O-N 2.97Å; V159-L162 PolarHBondContact O-N 2.9Å; V159-K163 HydrophobicContact CG1-CD 4.12Å; V159-K163 HydrophobicContact CG1-CG 4.32Å; V159-K163 WeakPolarHBondContact O-CG 3.3Å; V159-K163 PolarHBondContact O-N 2.91Å; V159-E173 HydrophobicContact CG1-CG 4.18Å; V159-F180 HydrophobicContact CG2-CE2 3.64Å; V159-F180 HydrophobicContact CG2-CZ 3.69Å
160	Q	94.6	Very high	95.7	Very high	80 Å²	80	24.3 Å²	24.3	37%	0.374	12%	0.123	S	C	.	.	H	α-helix	trans	-59.8	-43	175.7	-67.4	-177.4	24.4	0	0	111.4	I66 P156 P157 K163 K164	I66-Q160 HydrophobicContact CG2-CB 4.35Å; P156-Q160 WeakPolarHBondContact O-CG 3.42Å; P156-Q160 PolarHBondContact O-N 3.17Å; P157-Q160 PolarHBondContact O-N 2.72Å; Q160-K163 PolarHBondContact O-N 3.48Å; Q160-K164 PolarHBondContact O-N 2.78Å
161	Y	93.1	Very high	95.6	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-48.9	173.2	178.2	-90.8	0	0	0	111.7	M63 F67 A134 R135 P157 Y158 V159 K163 K164 R165	M63-Y161 HydrophobicContact CB-CD2 4.1Å; M63-Y161 HydrophobicContact CB-CE2 4.28Å; M63-Y161 HydrophobicContact CG-CD2 3.8Å; M63-Y161 HydrophobicContact CG-CE2 3.93Å; M63-Y161 HydrophobicContact SD-CD2 4.12Å; F67-Y161 HydrophobicContact CE2-CD2 4.07Å; F67-Y161 HydrophobicContact CE2-CG 4.4Å; F67-Y161 HydrophobicContact CZ-CD2 4.33Å; F67-Y161 HydrophobicContact CZ-CG 4.2Å; A134-Y161 HydrophobicContact CB-CD1 3.65Å; A134-Y161 HydrophobicContact CB-CE1 3.64Å; A134-Y161 HydrophobicContact CB-CG 4.25Å; R135-Y161 VanDerWaalsContact CA-OH 3.23Å; R135-Y161 WeakPolarHBondContact CA-OH 3.26Å; R135-Y161 WeakPolarHBondContact CB-OH 3.36Å; R135-Y161 PolarHBondContact N-OH 3.35Å; P157-Y161 PolarHBondContact O-N 2.86Å; Y158-Y161 WeakPolarHBondContact O-CB 3.29Å; Y158-Y161 PolarHBondContact O-N 2.84Å; V159-Y161 VanDerWaalsContact C-N 3.3Å; V159-Y161 PolarHBondContact O-N 2.97Å; Y161-K163 PolarHBondContact O-N 2.94Å; Y161-K164 PolarHBondContact O-N 2.99Å; Y161-K164 VanDerWaalsContact O-N 3.11Å; Y161-R165 HydrophobicContact CD1-CG 4.26Å; Y161-R165 HydrophobicContact CD2-CG 4.25Å; Y161-R165 HydrophobicContact CE1-CB 4.25Å; Y161-R165 HydrophobicContact CE1-CG 3.86Å; Y161-R165 HydrophobicContact CE2-CG 3.86Å; Y161-R165 HydrophobicContact CG-CG 4.43Å; Y161-R165 WeakPolarHBondContact O-CG 3.16Å; Y161-R165 PolarHBondContact O-N 2.89Å
162	L	95.4	Very high	95.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-39.5	178.4	-69.8	173.9	0	0	0	112.6	L137 L151 L154 Y158 V159 K164 R165 A166 I171 M184	L137-L162 HydrophobicContact CD2-CD2 4.13Å; L151-L162 HydrophobicContact CD1-CD1 3.75Å; L154-L162 HydrophobicContact CD2-CD1 3.88Å; Y158-L162 HydrophobicContact CD1-CD1 4.02Å; Y158-L162 HydrophobicContact CD1-CG 4.03Å; Y158-L162 HydrophobicContact CE1-CD1 4.31Å; Y158-L162 HydrophobicContact CE1-CD2 4.44Å; Y158-L162 HydrophobicContact CE1-CG 4.3Å; Y158-L162 WeakPolarHBondContact O-CG 3.37Å; Y158-L162 PolarHBondContact O-N 3Å; V159-L162 PolarHBondContact O-N 2.9Å; L162-K164 PolarHBondContact O-N 2.86Å; L162-R165 PolarHBondContact O-N 3.44Å; L162-A166 WeakPolarHBondContact O-CA 3.48Å; L162-A166 WeakPolarHBondContact O-CB 3.31Å; L162-A166 PolarHBondContact O-N 3.36Å; L162-I171 HydrophobicContact CB-CD1 3.76Å; L162-M184 HydrophobicContact CD1-SD 4.29Å
163	K	94.1	Very high	95.6	Very high	110 Å²	110	29.2 Å²	29.2	48%	0.478	15%	0.147	S	C	.	.	H	α-helix	trans	-60.2	-32.4	175.4	-75.9	175.3	178.8	166	0	112	V159 Q160 Y161 I171 E173	V159-K163 HydrophobicContact CG1-CD 4.12Å; V159-K163 HydrophobicContact CG1-CG 4.32Å; V159-K163 WeakPolarHBondContact O-CG 3.3Å; V159-K163 PolarHBondContact O-N 2.91Å; Q160-K163 PolarHBondContact O-N 3.48Å; Y161-K163 PolarHBondContact O-N 2.94Å; K163-I171 HydrophobicContact CG-CD1 3.93Å; K163-E173 VanDerWaalsContact CE-OE1 3.28Å; K163-E173 WeakPolarHBondContact CE-OE1 3.25Å; K163-E173 IonicContact NZ-OE1 2.79Å; K163-E173 PolarHBondContact NZ-OE1 3.34Å
164	K	90.7	Very high	95.6	Very high	75 Å²	75	28.2 Å²	28.2	33%	0.326	14%	0.142	S	C	.	.	H	α-helix	trans	-80.6	-35.2	177	-70.4	-179.6	174.2	-170.3	0	113	M63 I66 I95 Q160 Y161 L162 V167	M63-K164 HydrophobicContact CE-CD 3.84Å; M63-K164 HydrophobicContact SD-CD 3.6Å; M63-K164 VanDerWaalsContact SD-CD 3.6Å; I66-K164 HydrophobicContact CD1-CD 4.01Å; I66-K164 VanDerWaalsContact CD1-NZ 3.34Å; I95-K164 VanDerWaalsContact O-O 3.13Å; Q160-K164 PolarHBondContact O-N 2.78Å; Y161-K164 PolarHBondContact O-N 2.99Å; Y161-K164 VanDerWaalsContact O-N 3.11Å; L162-K164 PolarHBondContact O-N 2.86Å; K164-V167 WeakPolarHBondContact O-CG2 3.4Å
165	R	88.8	Confident	95.5	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.023	15%	0.152	C	C	.	.	H	α-helix	trans	-103.2	-21.7	-170.1	-60.9	-53.9	-170.8	152.9	9.2	115.5	F59 I95 L97 T98 Y161 L162	F59-R165 PolarHBondContact O-NH2 3.09Å; I95-R165 WeakPolarHBondContact O-CD 3.24Å; L97-R165 WeakPolarHBondContact CB-O 3.38Å; L97-R165 HydrophobicContact CD1-CB 4.03Å; L97-R165 HydrophobicContact CD1-CG 4.18Å; L97-R165 HydrophobicContact CG-CB 4.24Å; L97-R165 PolarHBondContact N-O 2.98Å; T98-R165 PolarHBondContact N-O 2.72Å; Y161-R165 HydrophobicContact CD1-CG 4.26Å; Y161-R165 HydrophobicContact CD2-CG 4.25Å; Y161-R165 HydrophobicContact CE1-CB 4.25Å; Y161-R165 HydrophobicContact CE1-CG 3.86Å; Y161-R165 HydrophobicContact CE2-CG 3.86Å; Y161-R165 HydrophobicContact CG-CG 4.43Å; Y161-R165 WeakPolarHBondContact O-CG 3.16Å; Y161-R165 PolarHBondContact O-N 2.89Å; L162-R165 PolarHBondContact O-N 3.44Å
166	A	92.5	Very high	95.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.187	C	C	.	.			trans	-117.8	51.7	-177.2	0	0	0	0	0	111.6	T98 L141 L162 S168 Y169 M184	T98-A166 HydrophobicContact CG2-CB 3.82Å; T98-A166 VanDerWaalsContact OG1-C 3.28Å; T98-A166 VanDerWaalsContact OG1-CA 3.24Å; T98-A166 WeakPolarHBondContact OG1-CA 3.48Å; L141-A166 HydrophobicContact CD1-CB 4.27Å; L162-A166 WeakPolarHBondContact O-CA 3.48Å; L162-A166 WeakPolarHBondContact O-CB 3.31Å; L162-A166 PolarHBondContact O-N 3.36Å; A166-S168 PolarHBondContact O-N 3.13Å; A166-Y169 HydrophobicContact CB-CD2 4.2Å; A166-Y169 WeakPolarHBondContact O-CB 3.26Å; A166-Y169 PolarHBondContact O-N 3.47Å; A166-M184 HydrophobicContact CB-CE 3.44Å; A166-M184 VanDerWaalsContact CB-CE 3.44Å
167	V	93.7	Very high	94.5	Very high	51 Å²	51	42.4 Å²	42.4	31%	0.309	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.1	-168.7	-171.1	0	0	0	0	111.9	D96 T98 K164 Y169 K187	D96-V167 HydrophobicContact CB-CB 3.76Å; D96-V167 HydrophobicContact CB-CG2 3.68Å; D96-V167 VanDerWaalsContact CG-CB 3.42Å; D96-V167 PolarHBondContact OD1-N 2.84Å; D96-V167 WeakPolarHBondContact OD2-CB 3.49Å; T98-V167 PolarHBondContact OG1-N 2.9Å; K164-V167 WeakPolarHBondContact O-CG2 3.4Å; V167-Y169 PolarHBondContact O-N 3.21Å; V167-Y169 VanDerWaalsContact O-N 3.16Å; V167-K187 PolarHBondContact O-NZ 2.81Å
168	S	94.4	Very high	94.4	Very high	24 Å²	24	44.8 Å²	44.8	17%	0.168	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.2	173	74.2	0	0	0	0	114	D96 T98 A166 K187	D96-S168 PolarHBondContact OD2-N 3.45Å; T98-S168 VanDerWaalsContact CB-OG 3.26Å; T98-S168 WeakPolarHBondContact CB-OG 3.24Å; T98-S168 WeakPolarHBondContact O-CB 3.48Å; T98-S168 PolarHBondContact O-OG 3.1Å; T98-S168 VanDerWaalsContact O-OG 3.09Å; T98-S168 WeakPolarHBondContact OG1-CB 3.36Å; T98-S168 PolarHBondContact OG1-N 2.85Å; T98-S168 PolarHBondContact OG1-OG 3.33Å; A166-S168 PolarHBondContact O-N 3.13Å; S168-K187 WeakPolarHBondContact O-CB 3.37Å; S168-K187 WeakPolarHBondContact O-CG 3.42Å; S168-K187 PolarHBondContact O-N 3.19Å
169	Y	98.4	Very high	94.5	Very high	8 Å²	8	46.4 Å²	46.4	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.1	177.6	-68.1	-95.6	0	0	0	112.6	T98 P146 V149 A166 V167 M184 L185 K186 K187	T98-Y169 HydrophobicContact CG2-CD2 4.31Å; T98-Y169 HydrophobicContact CG2-CE2 4.09Å; P146-Y169 VanDerWaalsContact CD-OH 3.29Å; P146-Y169 WeakPolarHBondContact CD-OH 3.31Å; P146-Y169 WeakPolarHBondContact O-CE1 3.21Å; P146-Y169 PolarHBondContact O-OH 3.02Å; V149-Y169 HydrophobicContact CG2-CE1 4.1Å; A166-Y169 HydrophobicContact CB-CD2 4.2Å; A166-Y169 WeakPolarHBondContact O-CB 3.26Å; A166-Y169 PolarHBondContact O-N 3.47Å; V167-Y169 PolarHBondContact O-N 3.21Å; V167-Y169 VanDerWaalsContact O-N 3.16Å; Y169-M184 HydrophobicContact CD1-CB 3.76Å; Y169-M184 HydrophobicContact CD2-CE 4.24Å; Y169-M184 HydrophobicContact CG-CB 4.14Å; Y169-M184 HydrophobicContact CG-CE 3.94Å; Y169-L185 CarbonylContact C-O 3.51Å; Y169-L185 WeakPolarHBondContact CA-O 3.37Å; Y169-K186 HydrophobicContact CD1-CB 4.16Å; Y169-K186 HydrophobicContact CE1-CB 3.73Å; Y169-K186 HydrophobicContact CE1-CG 4.4Å; Y169-K187 VanDerWaalsContact O-CE 3.24Å; Y169-K187 WeakPolarHBondContact O-CE 3.23Å; Y169-K187 PolarHBondContact O-NZ 2.84Å
170	L	98.4	Very high	94.6	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.325	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.5	158.7	171.6	67.2	0	0	0	107.7	M184 L185 K187 F192	L170-M184 CarbonylContact O-C 3.58Å; L170-M184 VanDerWaalsContact O-CA 3.26Å; L170-M184 WeakPolarHBondContact O-CA 3.2Å; L170-L185 HydrophobicContact CB-CB 4.4Å; L170-L185 HydrophobicContact CD2-CD1 4.41Å; L170-L185 PolarHBondContact N-O 3.05Å; L170-L185 PolarHBondContact O-N 3.48Å; L170-K187 HydrophobicContact CB-CG 4.31Å; L170-F192 HydrophobicContact CD2-CB 3.57Å; L170-F192 HydrophobicContact CD2-CD1 3.86Å; L170-F192 HydrophobicContact CD2-CD2 4.32Å; L170-F192 HydrophobicContact CD2-CG 3.66Å
171	I	98.6	Very high	94.8	Very high	26 Å²	26	43.3 Å²	43.3	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.3	178.6	-55.3	179.8	0	0	0	108.9	L162 K163 E173 M183 M184	L162-I171 HydrophobicContact CB-CD1 3.76Å; K163-I171 HydrophobicContact CG-CD1 3.93Å; I171-E173 HydrophobicContact CG2-CG 4.39Å; I171-M183 WeakPolarHBondContact CA-O 3.27Å; I171-M184 HydrophobicContact CD1-CE 4.26Å; I171-M184 HydrophobicContact CG1-CE 4.29Å; I171-M184 HydrophobicContact CG1-CG 4.24Å
172	I	98.7	Very high	95	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.2	174.2	-52.5	169.6	0	0	0	107.1	G182 M183 L185 F192 L210 A212	I172-G182 CarbonylContact O-C 3.51Å; I172-G182 WeakPolarHBondContact O-CA 3.33Å; I172-M183 HydrophobicContact CB-CB 4.35Å; I172-M183 PolarHBondContact N-O 2.8Å; I172-M183 PolarHBondContact O-N 3.46Å; I172-L185 HydrophobicContact CD1-CD1 3.75Å; I172-L185 HydrophobicContact CD1-CG 4.36Å; I172-F192 HydrophobicContact CD1-CD2 3.7Å; I172-F192 HydrophobicContact CD1-CE2 3.47Å; I172-F192 VanDerWaalsContact CD1-CE2 3.47Å; I172-F192 HydrophobicContact CD1-CZ 4.27Å; I172-F192 HydrophobicContact CG1-CE2 4.39Å; I172-L210 HydrophobicContact CG2-CD1 3.91Å; I172-L210 HydrophobicContact CG2-CD2 4.31Å; I172-A212 HydrophobicContact CD1-CB 3.88Å
173	E	98.6	Very high	95.2	Very high	64 Å²	64	43.1 Å²	43.1	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.2	-176.7	-62.8	171.2	-132.9	0	0	110	V159 K163 I171 G175 F180	V159-E173 HydrophobicContact CG1-CG 4.18Å; K163-E173 VanDerWaalsContact CE-OE1 3.28Å; K163-E173 WeakPolarHBondContact CE-OE1 3.25Å; K163-E173 IonicContact NZ-OE1 2.79Å; K163-E173 PolarHBondContact NZ-OE1 3.34Å; I171-E173 HydrophobicContact CG2-CG 4.39Å; E173-G175 VanDerWaalsContact C-N 3.33Å; E173-F180 HydrophobicContact CB-CE2 4.1Å; E173-F180 HydrophobicContact CG-CE2 4.17Å
174	G	97.9	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-91.9	9.5	176.5	0	0	0	0	0	113.4	T181 N208	G174-T181 VanDerWaalsContact CA-O 3.25Å; G174-T181 WeakPolarHBondContact CA-O 3.28Å; G174-T181 PolarHBondContact N-O 2.9Å; G174-N208 PolarHBondContact O-ND2 2.94Å
175	G	95.6	Very high	95.8	Very high	22 Å²	22	34.4 Å²	34.4	23%	0.227	18%	0.184	C	C	.	.			trans	-179.7	171.7	179.7	0	0	0	0	0	110.4	E173	E173-G175 VanDerWaalsContact C-N 3.33Å
176	E	89	Confident	96.2	Very high	173 Å²	173	35.3 Å²	35.3	81%	0.808	19%	0.188	S	C	*	.	S	Bend	trans	-118.3	-25.5	-175.3	-63.6	178.8	-177.7	0	0	112.7
177	E	85.3	Confident	96.5	Very high	160 Å²	160	41 Å²	41	75%	0.748	21%	0.213	S	C	*	.	S	Bend	trans	-127.8	164.1	-173.3	-64.9	-174.4	176	0	0	112	Y179	E177-Y179 PolarHBondContact O-N 2.83Å
178	A	92.8	Very high	96.6	Very high	58 Å²	58	43.2 Å²	43.2	48%	0.479	23%	0.23	S	C	.	.	S	Bend	trans	52.3	-106.6	179.7	0	0	0	0	0	112.1	I155 P156 M206	I155-A178 WeakPolarHBondContact CG2-O 3.31Å; P156-A178 WeakPolarHBondContact CD-O 3.46Å; A178-M206 HydrophobicContact CB-CE 3.71Å; A178-M206 HydrophobicContact CB-SD 4.31Å
179	Y	96.8	Very high	96.6	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.133	24%	0.235	C	C	.	.	S	Bend	trans	-133.1	150	174.5	77.3	-81.6	0	0	0	111.8	L125 E153 L154 E177 M205 M206 R207	L125-Y179 HydrophobicContact CD1-CD1 4.18Å; L125-Y179 HydrophobicContact CD1-CE1 4.41Å; L125-Y179 HydrophobicContact CD1-CG 4.22Å; L125-Y179 HydrophobicContact CD2-CD1 3.93Å; L125-Y179 HydrophobicContact CD2-CG 4Å; L125-Y179 HydrophobicContact CG-CG 4.34Å; E153-Y179 HydrophobicContact CG-CD2 4.27Å; L154-Y179 CarbonylContact O-C 3.47Å; L154-Y179 WeakPolarHBondContact O-CA 3.49Å; L154-Y179 WeakPolarHBondContact O-CB 3.3Å; E177-Y179 PolarHBondContact O-N 2.83Å; Y179-M205 WeakPolarHBondContact OH-CB 3.29Å; Y179-M205 PolarHBondContact OH-O 2.76Å; Y179-M206 HydrophobicContact CD1-CE 3.75Å; Y179-M206 HydrophobicContact CE1-CE 3.51Å; Y179-R207 PolarHBondContact OH-NE 3.4Å; Y179-R207 PolarHBondContact OH-NH2 3.43Å
180	F	98.6	Very high	96.6	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.044	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	178.2	-175.2	48.7	-95.1	0	0	0	112	E153 L154 P156 V159 E173	E153-F180 PolarHBondContact N-O 3.39Å; L154-F180 HydrophobicContact CB-CD2 4.16Å; L154-F180 HydrophobicContact CB-CE2 4.07Å; L154-F180 PolarHBondContact N-O 3.15Å; L154-F180 PolarHBondContact O-N 2.94Å; P156-F180 HydrophobicContact CG-CE1 4.09Å; V159-F180 HydrophobicContact CG2-CE2 3.64Å; V159-F180 HydrophobicContact CG2-CZ 3.69Å; E173-F180 HydrophobicContact CB-CE2 4.1Å; E173-F180 HydrophobicContact CG-CE2 4.17Å
181	T	98.8	Very high	96.6	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	155.1	172	62.8	0	0	0	0	110.6	L151 Q152 G174 H227	L151-T181 CarbonylContact O-C 3.51Å; L151-T181 VanDerWaalsContact O-CA 3.23Å; L151-T181 WeakPolarHBondContact O-CA 3.43Å; L151-T181 WeakPolarHBondContact O-CB 3.26Å; Q152-T181 HydrophobicContact CB-CG2 4.46Å; Q152-T181 HydrophobicContact CG-CG2 4.05Å; G174-T181 VanDerWaalsContact CA-O 3.25Å; G174-T181 WeakPolarHBondContact CA-O 3.28Å; G174-T181 PolarHBondContact N-O 2.9Å; T181-H227 HydrophobicContact CG2-CB 3.99Å
182	G	98.8	Very high	96.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157	173	0	0	0	0	0	111.7	L151 I172	L151-G182 PolarHBondContact N-O 2.85Å; L151-G182 PolarHBondContact O-N 3.4Å; I172-G182 CarbonylContact O-C 3.51Å; I172-G182 WeakPolarHBondContact O-CA 3.33Å
183	M	98.8	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.2	173.7	-175	-179.4	-53.1	0	0	109.7	V149 F150 I171 I172 L185 L210 A212 L223 T225	V149-M183 CarbonylContact O-C 3.58Å; V149-M183 VanDerWaalsContact O-CA 3.28Å; V149-M183 WeakPolarHBondContact O-CA 3.43Å; F150-M183 HydrophobicContact CD1-CE 4.09Å; F150-M183 HydrophobicContact CD1-CG 3.93Å; F150-M183 HydrophobicContact CD1-SD 4.46Å; F150-M183 HydrophobicContact CE1-CE 3.63Å; F150-M183 HydrophobicContact CE1-CG 3.93Å; F150-M183 HydrophobicContact CE1-SD 3.91Å; I171-M183 WeakPolarHBondContact CA-O 3.27Å; I172-M183 HydrophobicContact CB-CB 4.35Å; I172-M183 PolarHBondContact N-O 2.8Å; I172-M183 PolarHBondContact O-N 3.46Å; M183-L185 HydrophobicContact CG-CD2 3.91Å; M183-L185 HydrophobicContact CG-CG 4.43Å; M183-L185 HydrophobicContact SD-CD2 3.88Å; M183-L210 HydrophobicContact CB-CD2 3.91Å; M183-L210 HydrophobicContact CE-CG 4.47Å; M183-A212 HydrophobicContact CE-CB 4.07Å; M183-A212 HydrophobicContact SD-CB 3.59Å; M183-A212 VanDerWaalsContact SD-CB 3.59Å; M183-L223 HydrophobicContact CE-CB 3.76Å; M183-L223 HydrophobicContact SD-CB 3.65Å; M183-L223 HydrophobicContact SD-CD1 3.9Å; M183-L223 HydrophobicContact SD-CG 4.46Å; M183-T225 HydrophobicContact CE-CG2 4.11Å
184	M	98.8	Very high	96.6	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.9	175.6	-45.4	174.7	61.6	0	0	109.7	L141 V148 V149 L151 L162 A166 Y169 L170 I171	L141-M184 HydrophobicContact CD1-CE 3.83Å; L141-M184 HydrophobicContact CD1-SD 4.09Å; V148-M184 CarbonylContact C-O 3.55Å; V148-M184 WeakPolarHBondContact CA-O 3.04Å; V149-M184 HydrophobicContact CB-CB 3.84Å; V149-M184 HydrophobicContact CB-CG 4.14Å; V149-M184 HydrophobicContact CB-SD 4.22Å; V149-M184 HydrophobicContact CG1-SD 4.35Å; V149-M184 HydrophobicContact CG2-CB 4.06Å; V149-M184 HydrophobicContact CG2-SD 4.46Å; V149-M184 PolarHBondContact N-O 3.26Å; V149-M184 PolarHBondContact O-N 3.36Å; L151-M184 HydrophobicContact CD1-CG 4.35Å; L151-M184 HydrophobicContact CD1-SD 3.69Å; L162-M184 HydrophobicContact CD1-SD 4.29Å; A166-M184 HydrophobicContact CB-CE 3.44Å; A166-M184 VanDerWaalsContact CB-CE 3.44Å; Y169-M184 HydrophobicContact CD1-CB 3.76Å; Y169-M184 HydrophobicContact CD2-CE 4.24Å; Y169-M184 HydrophobicContact CG-CB 4.14Å; Y169-M184 HydrophobicContact CG-CE 3.94Å; L170-M184 CarbonylContact O-C 3.58Å; L170-M184 VanDerWaalsContact O-CA 3.26Å; L170-M184 WeakPolarHBondContact O-CA 3.2Å; I171-M184 HydrophobicContact CD1-CE 4.26Å; I171-M184 HydrophobicContact CG1-CE 4.29Å; I171-M184 HydrophobicContact CG1-CG 4.24Å
185	L	98.8	Very high	96.6	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	-178.4	-55.2	180	0	0	0	110	V148 Y169 L170 I172 M183 K187 V190 F192 V214 L223	V148-L185 HydrophobicContact CG1-CD2 4.23Å; V148-L185 HydrophobicContact CG2-CD2 4.25Å; Y169-L185 CarbonylContact C-O 3.51Å; Y169-L185 WeakPolarHBondContact CA-O 3.37Å; L170-L185 HydrophobicContact CB-CB 4.4Å; L170-L185 HydrophobicContact CD2-CD1 4.41Å; L170-L185 PolarHBondContact N-O 3.05Å; L170-L185 PolarHBondContact O-N 3.48Å; I172-L185 HydrophobicContact CD1-CD1 3.75Å; I172-L185 HydrophobicContact CD1-CG 4.36Å; M183-L185 HydrophobicContact CG-CD2 3.91Å; M183-L185 HydrophobicContact CG-CG 4.43Å; M183-L185 HydrophobicContact SD-CD2 3.88Å; L185-K187 PolarHBondContact O-N 2.84Å; L185-K187 VanDerWaalsContact O-N 3.11Å; L185-V190 HydrophobicContact CB-CB 4.34Å; L185-V190 HydrophobicContact CB-CG1 4.3Å; L185-V190 HydrophobicContact CD1-CG1 4.4Å; L185-V190 HydrophobicContact CD2-CG1 4.2Å; L185-F192 HydrophobicContact CD1-CB 4.07Å; L185-F192 HydrophobicContact CD1-CD2 3.92Å; L185-F192 HydrophobicContact CD1-CG 4.4Å; L185-V214 HydrophobicContact CD1-CG1 3.69Å; L185-V214 HydrophobicContact CD2-CG1 4.44Å; L185-L223 HydrophobicContact CD2-CD1 3.53Å
186	K	98.1	Very high	96.8	Very high	25 Å²	25	63.7 Å²	63.7	11%	0.109	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	111.6	179.8	-172.2	160.8	-178	170.6	0	110.1	D147 Y169 S188 R189 V190	D147-K186 PolarHBondContact O-N 3.21Å; Y169-K186 HydrophobicContact CD1-CB 4.16Å; Y169-K186 HydrophobicContact CE1-CB 3.73Å; Y169-K186 HydrophobicContact CE1-CG 4.4Å; K186-S188 PolarHBondContact O-N 2.71Å; K186-S188 VanDerWaalsContact O-N 3.11Å; K186-R189 PolarHBondContact O-N 3.09Å; K186-V190 PolarHBondContact O-N 3.07Å
187	K	97.3	Very high	97.2	Very high	122 Å²	122	59.3 Å²	59.3	53%	0.53	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.3	-169.4	-71.4	170.2	176.3	160.9	0	113.2	V167 S168 Y169 L170 L185 R189	V167-K187 PolarHBondContact O-NZ 2.81Å; S168-K187 WeakPolarHBondContact O-CB 3.37Å; S168-K187 WeakPolarHBondContact O-CG 3.42Å; S168-K187 PolarHBondContact O-N 3.19Å; Y169-K187 VanDerWaalsContact O-CE 3.24Å; Y169-K187 WeakPolarHBondContact O-CE 3.23Å; Y169-K187 PolarHBondContact O-NZ 2.84Å; L170-K187 HydrophobicContact CB-CG 4.31Å; L185-K187 PolarHBondContact O-N 2.84Å; L185-K187 VanDerWaalsContact O-N 3.11Å; K187-R189 VanDerWaalsContact C-N 3.33Å
188	S	95.3	Very high	97.9	Very high	97 Å²	97	53.5 Å²	53.5	68%	0.678	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-17	-178.7	54.9	0	0	0	0	114.3	K186	K186-S188 PolarHBondContact O-N 2.71Å; K186-S188 VanDerWaalsContact O-N 3.11Å
189	R	95.8	Very high	98.1	Very high	68 Å²	68	55.5 Å²	55.5	26%	0.257	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-30.3	-171.8	-66.4	-175.5	61.2	97	-4	114	D111 K114 D147 K186 K187 F216	D111-R189 VanDerWaalsContact CG-NH1 3.28Å; D111-R189 IonicContact OD1-CZ 3.39Å; D111-R189 VanDerWaalsContact OD1-CZ 3.24Å; D111-R189 IonicContact OD1-NH1 3.61Å; D111-R189 PolarHBondContact OD1-NH1 3.45Å; D111-R189 IonicContact OD1-NH2 3.54Å; D111-R189 PolarHBondContact OD1-NH2 3.09Å; D111-R189 IonicContact OD2-NH1 3.64Å; K114-R189 PolarHBondContact O-NH2 3.44Å; K114-R189 VanDerWaalsContact O-NH2 3.11Å; D147-R189 VanDerWaalsContact OD1-CB 3.29Å; D147-R189 WeakPolarHBondContact OD1-CB 3.28Å; D147-R189 WeakPolarHBondContact OD1-CD 3.49Å; D147-R189 IonicContact OD1-CZ 2.73Å; D147-R189 IonicContact OD1-NE 3.8Å; D147-R189 PolarHBondContact OD1-NE 2.7Å; D147-R189 IonicContact OD2-NE 3.79Å; K186-R189 PolarHBondContact O-N 3.09Å; K187-R189 VanDerWaalsContact C-N 3.33Å; R189-F216 HydrophobicContact CB-CE2 4.43Å; R189-F216 WeakPolarHBondContact O-CD2 3.42Å
190	V	97.9	Very high	98.2	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.5	-176.1	-175.5	0	0	0	0	110.1	D147 V148 L185 K186 V214 F216	D147-V190 HydrophobicContact CB-CG2 3.91Å; V148-V190 HydrophobicContact CG2-CG2 4.33Å; L185-V190 HydrophobicContact CB-CB 4.34Å; L185-V190 HydrophobicContact CB-CG1 4.3Å; L185-V190 HydrophobicContact CD1-CG1 4.4Å; L185-V190 HydrophobicContact CD2-CG1 4.2Å; K186-V190 PolarHBondContact O-N 3.07Å; V190-V214 HydrophobicContact CG1-CB 3.68Å; V190-V214 HydrophobicContact CG1-CG1 4.01Å; V190-V214 HydrophobicContact CG1-CG2 3.73Å; V190-F216 HydrophobicContact CG2-CD2 4.25Å
191	K	98.4	Very high	98.1	Very high	142 Å²	142	59.5 Å²	59.5	62%	0.617	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.5	176	174.4	-176.2	-177	-177.9	0	109.7	V214 T215	K191-V214 CarbonylContact O-C 3.46Å; K191-V214 VanDerWaalsContact O-CA 3.3Å; K191-V214 WeakPolarHBondContact O-CA 3.28Å; K191-V214 WeakPolarHBondContact O-CB 3.1Å; K191-T215 WeakPolarHBondContact CB-OG1 3.34Å; K191-T215 PolarHBondContact N-O 3.43Å; K191-T215 PolarHBondContact O-N 2.84Å
192	F	98.7	Very high	98.1	Very high	72 Å²	72	62.7 Å²	62.7	32%	0.316	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.8	173.3	176.9	-113.6	0	0	0	112.2	L170 I172 L185 E194 A212 V214	L170-F192 HydrophobicContact CD2-CB 3.57Å; L170-F192 HydrophobicContact CD2-CD1 3.86Å; L170-F192 HydrophobicContact CD2-CD2 4.32Å; L170-F192 HydrophobicContact CD2-CG 3.66Å; I172-F192 HydrophobicContact CD1-CD2 3.7Å; I172-F192 HydrophobicContact CD1-CE2 3.47Å; I172-F192 VanDerWaalsContact CD1-CE2 3.47Å; I172-F192 HydrophobicContact CD1-CZ 4.27Å; I172-F192 HydrophobicContact CG1-CE2 4.39Å; L185-F192 HydrophobicContact CD1-CB 4.07Å; L185-F192 HydrophobicContact CD1-CD2 3.92Å; L185-F192 HydrophobicContact CD1-CG 4.4Å; F192-E194 VanDerWaalsContact CE2-O 3.3Å; F192-E194 WeakPolarHBondContact CE2-O 3.33Å; F192-E194 VanDerWaalsContact CZ-C 3.45Å; F192-A212 HydrophobicContact CE2-CB 4.35Å; F192-V214 HydrophobicContact CD2-CG1 4.49Å
193	L	98.5	Very high	98	Very high	91 Å²	91	64.3 Å²	64.3	48%	0.476	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-62.4	174.1	-54.7	178.8	0	0	0	111.2	Q213 T215	L193-Q213 HydrophobicContact CB-CB 4.32Å; L193-Q213 VanDerWaalsContact CB-O 3.31Å; L193-Q213 WeakPolarHBondContact CB-O 3.39Å; L193-Q213 HydrophobicContact CD1-CB 4.45Å; L193-Q213 PolarHBondContact N-O 3.28Å; L193-T215 HydrophobicContact CD1-CG2 4.09Å
194	E	98.5	Very high	97.7	Very high	128 Å²	128	71.9 Å²	71.9	60%	0.598	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.7	162.1	-178.5	62.6	180	-175.9	0	0	110.9	F192 A212 Q213	F192-E194 VanDerWaalsContact CE2-O 3.3Å; F192-E194 WeakPolarHBondContact CE2-O 3.33Å; F192-E194 VanDerWaalsContact CZ-C 3.45Å; E194-A212 CarbonylContact O-C 3.53Å; E194-A212 WeakPolarHBondContact O-CA 3.13Å; E194-Q213 HydrophobicContact CG-CB 3.9Å; E194-Q213 HydrophobicContact CG-CG 3.9Å; E194-Q213 PolarHBondContact N-O 3.44Å; E194-Q213 PolarHBondContact O-N 2.9Å
195	S	98.7	Very high	97.4	Very high	61 Å²	61	73.5 Å²	73.5	43%	0.427	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.1	174.5	56.4	0	0	0	0	111.6	V211	S195-V211 CarbonylContact C-O 3.58Å; S195-V211 WeakPolarHBondContact CA-O 3.35Å; S195-V211 WeakPolarHBondContact CB-O 3.41Å
196	E	98.4	Very high	97.2	Very high	81 Å²	81	78.8 Å²	78.8	38%	0.379	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.2	173.2	63.5	171.3	-173.1	0	0	110.5	V211 R248	E196-V211 HydrophobicContact CG-CB 3.76Å; E196-V211 HydrophobicContact CG-CG1 4.42Å; E196-V211 HydrophobicContact CG-CG2 4.32Å; E196-V211 PolarHBondContact N-O 2.84Å; E196-V211 PolarHBondContact O-N 2.86Å; E196-R248 IonicContact OE1-CZ 3.92Å; E196-R248 VanDerWaalsContact OE1-CZ 3.23Å; E196-R248 IonicContact OE1-NE 3.28Å; E196-R248 PolarHBondContact OE1-NE 3.39Å; E196-R248 VanDerWaalsContact OE1-NE 3.11Å; E196-R248 IonicContact OE1-NH2 3.43Å; E196-R248 PolarHBondContact OE1-NH2 2.99Å; E196-R248 IonicContact OE2-NH2 2.72Å
197	I	98.7	Very high	97.2	Very high	81 Å²	81	78.3 Å²	78.3	42%	0.415	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.1	171.3	-63.6	173	0	0	0	107.7	N208 L210	I197-N208 HydrophobicContact CG2-CB 3.68Å; I197-L210 HydrophobicContact CG1-CD1 4.07Å
198	V	98.6	Very high	97.3	Very high	38 Å²	38	73.6 Å²	73.6	23%	0.23	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.7	172.2	-176.9	0	0	0	0	108.3	N208 L209 V211 T244	V198-N208 WeakPolarHBondContact O-CB 3.14Å; V198-L209 HydrophobicContact CB-CB 4.13Å; V198-L209 HydrophobicContact CB-CD2 4.43Å; V198-L209 PolarHBondContact N-O 2.8Å; V198-L209 PolarHBondContact O-N 3.2Å; V198-V211 HydrophobicContact CG2-CG2 4.38Å; V198-T244 HydrophobicContact CG1-CG2 4.21Å
199	T	97.9	Very high	97.4	Very high	99 Å²	99	69 Å²	69	61%	0.607	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.1	-176.9	58.6	0	0	0	0	112	P201	T199-P201 WeakPolarHBondContact O-CD 3.46Å
200	Y	98.6	Very high	97.6	Very high	8 Å²	8	65.8 Å²	65.8	3%	0.031	35%	0.345	C	S	.	.			trans	-106.1	98	166.8	-60.9	-33.9	0	0	0	109	T202 T203 R207 N208 L209 S226 L228 Q241 T244 V245	Y200-T202 PolarHBondContact O-N 3.47Å; Y200-T203 WeakPolarHBondContact O-CG2 3.44Å; Y200-T203 PolarHBondContact O-N 3.11Å; Y200-T203 VanDerWaalsContact O-N 3.11Å; Y200-R207 HydrophobicContact CD2-CB 3.75Å; Y200-R207 WeakPolarHBondContact CD2-O 3.35Å; Y200-R207 HydrophobicContact CE2-CB 4.31Å; Y200-N208 WeakPolarHBondContact CE2-O 3.36Å; Y200-L209 HydrophobicContact CE1-CB 4.13Å; Y200-L209 WeakPolarHBondContact OH-CB 3.42Å; Y200-S226 WeakPolarHBondContact CE2-OG 3.3Å; Y200-S226 PolarHBondContact OH-OG 3.17Å; Y200-L228 HydrophobicContact CE2-CD2 4.12Å; Y200-Q241 HydrophobicContact CD1-CB 4.41Å; Y200-Q241 HydrophobicContact CD1-CG 4.09Å; Y200-Q241 HydrophobicContact CD2-CB 4.07Å; Y200-Q241 HydrophobicContact CD2-CG 3.54Å; Y200-Q241 HydrophobicContact CE1-CB 4.16Å; Y200-Q241 HydrophobicContact CE1-CG 4.34Å; Y200-Q241 HydrophobicContact CE2-CB 3.8Å; Y200-Q241 HydrophobicContact CE2-CG 3.81Å; Y200-Q241 HydrophobicContact CG-CB 4.36Å; Y200-Q241 HydrophobicContact CG-CG 3.67Å; Y200-T244 HydrophobicContact CE1-CG2 3.93Å; Y200-V245 WeakPolarHBondContact OH-CG2 3.32Å
201	P	96.9	Very high	97.6	Very high	121 Å²	121	65.5 Å²	65.5	79%	0.786	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	-167.8	-25.1	34.6	0	0	0	114.8	T199	T199-P201 WeakPolarHBondContact O-CD 3.46Å
202	T	97.8	Very high	97.7	Very high	74 Å²	74	58.8 Å²	58.8	45%	0.454	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	9	-176.9	49.2	0	0	0	0	113.7	Y200 E237	Y200-T202 PolarHBondContact O-N 3.47Å; T202-E237 WeakPolarHBondContact CB-OE2 3.44Å; T202-E237 VanDerWaalsContact OG1-CD 3.24Å; T202-E237 PolarHBondContact OG1-OE1 3.44Å; T202-E237 PolarHBondContact OG1-OE2 2.84Å
203	T	96.8	Very high	97.7	Very high	34 Å²	34	57.2 Å²	57.2	21%	0.209	31%	0.307	C	S	.	.			trans	-63.4	144	172.1	-172.3	0	0	0	0	110.9	Y200 M205 R207 E229 E237	Y200-T203 WeakPolarHBondContact O-CG2 3.44Å; Y200-T203 PolarHBondContact O-N 3.11Å; Y200-T203 VanDerWaalsContact O-N 3.11Å; T203-M205 PolarHBondContact OG1-N 3.18Å; T203-M205 VanDerWaalsContact OG1-N 3.14Å; T203-R207 WeakPolarHBondContact OG1-CB 3.49Å; T203-R207 WeakPolarHBondContact OG1-CG 3.34Å; T203-R207 PolarHBondContact OG1-N 2.79Å; T203-R207 VanDerWaalsContact OG1-N 3.14Å; T203-E229 WeakPolarHBondContact CB-OE2 3.27Å; T203-E229 PolarHBondContact OG1-OE1 3.26Å; T203-E229 PolarHBondContact OG1-OE2 3.33Å; T203-E237 PolarHBondContact N-OE1 2.83Å
204	Q	92.8	Very high	97.7	Very high	159 Å²	159	53 Å²	53	74%	0.743	29%	0.285	S	S	*	.	S	Bend	trans	-108.9	6.4	170.5	-61.3	-178.5	13.3	0	0	111.4	E229	Q204-E229 PolarHBondContact N-OE1 2.93Å
205	M	92	Very high	97.6	Very high	35 Å²	35	48.4 Å²	48.4	17%	0.172	27%	0.266	C	S	.	.	S	Bend	trans	-131.9	24	-171.3	-62.2	-177.6	-172.4	0	0	111.8	Y179 T203 R207 E229 H234	Y179-M205 WeakPolarHBondContact OH-CB 3.29Å; Y179-M205 PolarHBondContact OH-O 2.76Å; T203-M205 PolarHBondContact OG1-N 3.18Å; T203-M205 VanDerWaalsContact OG1-N 3.14Å; M205-R207 HydrophobicContact CB-CG 3.96Å; M205-R207 WeakPolarHBondContact O-CD 3.34Å; M205-R207 PolarHBondContact O-N 2.89Å; M205-R207 PolarHBondContact O-NE 3.29Å; M205-R207 PolarHBondContact SD-NH2 3.11Å; M205-E229 VanDerWaalsContact CG-OE1 3.28Å; M205-E229 WeakPolarHBondContact CG-OE1 3.28Å; M205-E229 PolarHBondContact N-OE1 3.45Å; M205-E229 HydrophobicContact SD-CG 4.25Å; M205-H234 WeakPolarHBondContact CE-CE1 3.4Å; M205-H234 VanDerWaalsContact CE-ND1 3.29Å; M205-H234 WeakPolarHBondContact CE-ND1 3.41Å
206	M	95.6	Very high	97.5	Very high	112 Å²	112	45.6 Å²	45.6	55%	0.552	25%	0.246	S	C	*	.			trans	59	30.1	177.5	-54.1	176	-67.3	0	0	113.6	A178 Y179	A178-M206 HydrophobicContact CB-CE 3.71Å; A178-M206 HydrophobicContact CB-SD 4.31Å; Y179-M206 HydrophobicContact CD1-CE 3.75Å; Y179-M206 HydrophobicContact CE1-CE 3.51Å
207	R	97.8	Very high	97.2	Very high	14 Å²	14	46.1 Å²	46.1	5%	0.053	25%	0.247	C	C	.	.			trans	-79.1	147.3	-176.3	-51.3	-47	177.2	70.7	-2.9	111.9	Y179 Y200 T203 M205 H227 L228 S230	Y179-R207 PolarHBondContact OH-NE 3.4Å; Y179-R207 PolarHBondContact OH-NH2 3.43Å; Y200-R207 HydrophobicContact CD2-CB 3.75Å; Y200-R207 WeakPolarHBondContact CD2-O 3.35Å; Y200-R207 HydrophobicContact CE2-CB 4.31Å; T203-R207 WeakPolarHBondContact OG1-CB 3.49Å; T203-R207 WeakPolarHBondContact OG1-CG 3.34Å; T203-R207 PolarHBondContact OG1-N 2.79Å; T203-R207 VanDerWaalsContact OG1-N 3.14Å; M205-R207 HydrophobicContact CB-CG 3.96Å; M205-R207 WeakPolarHBondContact O-CD 3.34Å; M205-R207 PolarHBondContact O-N 2.89Å; M205-R207 PolarHBondContact O-NE 3.29Å; M205-R207 PolarHBondContact SD-NH2 3.11Å; R207-H227 WeakPolarHBondContact CB-O 3.34Å; R207-H227 WeakPolarHBondContact CD-O 3.38Å; R207-H227 WeakPolarHBondContact CG-O 3.13Å; R207-H227 PolarHBondContact NH1-CD2 2.86Å; R207-H227 PolarHBondContact NH1-NE2 3.19Å; R207-H227 PolarHBondContact NH1-O 3.18Å; R207-H227 PolarHBondContact NH2-CE1 3.48Å; R207-L228 PolarHBondContact NH1-O 3.11Å; R207-S230 PolarHBondContact NH1-OG 3.45Å; R207-S230 PolarHBondContact NH2-OG 2.96Å
208	N	98.8	Very high	96.9	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.128	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	179.6	174.6	63.5	44.4	0	0	0	110.2	G174 I197 V198 Y200 S226	G174-N208 PolarHBondContact O-ND2 2.94Å; I197-N208 HydrophobicContact CG2-CB 3.68Å; V198-N208 WeakPolarHBondContact O-CB 3.14Å; Y200-N208 WeakPolarHBondContact CE2-O 3.36Å; N208-S226 WeakPolarHBondContact O-CB 2.95Å; N208-S226 PolarHBondContact O-OG 2.85Å
209	L	98.9	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.6	172.9	175.8	63	0	0	0	109	V198 Y200 V211 M224 V245 R248 F260	V198-L209 HydrophobicContact CB-CB 4.13Å; V198-L209 HydrophobicContact CB-CD2 4.43Å; V198-L209 PolarHBondContact N-O 2.8Å; V198-L209 PolarHBondContact O-N 3.2Å; Y200-L209 HydrophobicContact CE1-CB 4.13Å; Y200-L209 WeakPolarHBondContact OH-CB 3.42Å; L209-V211 HydrophobicContact CD2-CG2 4.32Å; L209-V211 HydrophobicContact CG-CG2 3.88Å; L209-M224 HydrophobicContact CD1-CB 4.13Å; L209-M224 HydrophobicContact CD1-CE 3.98Å; L209-M224 HydrophobicContact CD2-CE 3.75Å; L209-M224 HydrophobicContact CG-CE 4.27Å; L209-V245 HydrophobicContact CD1-CG2 4Å; L209-V245 HydrophobicContact CD2-CG2 4.18Å; L209-R248 HydrophobicContact CD2-CB 4.44Å; L209-F260 HydrophobicContact CD1-CD2 4.09Å; L209-F260 HydrophobicContact CD1-CE2 3.95Å
210	L	98.9	Very high	96.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.2	173.2	175.8	62.5	0	0	0	109	I172 M183 I197 M224 T225	I172-L210 HydrophobicContact CG2-CD1 3.91Å; I172-L210 HydrophobicContact CG2-CD2 4.31Å; M183-L210 HydrophobicContact CB-CD2 3.91Å; M183-L210 HydrophobicContact CE-CG 4.47Å; I197-L210 HydrophobicContact CG1-CD1 4.07Å; L210-M224 WeakPolarHBondContact O-CA 3.25Å; L210-T225 HydrophobicContact CB-CG2 3.88Å; L210-T225 HydrophobicContact CD2-CG2 3.95Å; L210-T225 HydrophobicContact CG-CG2 4.24Å; L210-T225 PolarHBondContact N-O 2.88Å; L210-T225 PolarHBondContact O-N 2.79Å
211	V	98.9	Very high	96.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.3	-178.8	-174.6	0	0	0	0	109.4	S195 E196 V198 L209 L223 M224	S195-V211 CarbonylContact C-O 3.58Å; S195-V211 WeakPolarHBondContact CA-O 3.35Å; S195-V211 WeakPolarHBondContact CB-O 3.41Å; E196-V211 HydrophobicContact CG-CB 3.76Å; E196-V211 HydrophobicContact CG-CG1 4.42Å; E196-V211 HydrophobicContact CG-CG2 4.32Å; E196-V211 PolarHBondContact N-O 2.84Å; E196-V211 PolarHBondContact O-N 2.86Å; V198-V211 HydrophobicContact CG2-CG2 4.38Å; L209-V211 HydrophobicContact CD2-CG2 4.32Å; L209-V211 HydrophobicContact CG-CG2 3.88Å; V211-L223 CarbonylContact C-O 3.53Å; V211-L223 WeakPolarHBondContact CA-O 3.39Å; V211-M224 HydrophobicContact CG1-CG 4.14Å; V211-M224 HydrophobicContact CG2-CG 4.2Å
212	A	98.9	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.9	172.5	0	0	0	0	0	111	I172 M183 F192 E194 V214 L223	I172-A212 HydrophobicContact CD1-CB 3.88Å; M183-A212 HydrophobicContact CE-CB 4.07Å; M183-A212 HydrophobicContact SD-CB 3.59Å; M183-A212 VanDerWaalsContact SD-CB 3.59Å; F192-A212 HydrophobicContact CE2-CB 4.35Å; E194-A212 CarbonylContact O-C 3.53Å; E194-A212 WeakPolarHBondContact O-CA 3.13Å; A212-V214 HydrophobicContact CB-CG1 4.31Å; A212-L223 PolarHBondContact N-O 3.14Å; A212-L223 PolarHBondContact O-N 2.88Å
213	Q	98.8	Very high	96.9	Very high	39 Å²	39	35.9 Å²	35.9	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.7	167.8	-56.8	-56	-33.9	0	0	108.9	L193 E194 C222	L193-Q213 HydrophobicContact CB-CB 4.32Å; L193-Q213 VanDerWaalsContact CB-O 3.31Å; L193-Q213 WeakPolarHBondContact CB-O 3.39Å; L193-Q213 HydrophobicContact CD1-CB 4.45Å; L193-Q213 PolarHBondContact N-O 3.28Å; E194-Q213 HydrophobicContact CG-CB 3.9Å; E194-Q213 HydrophobicContact CG-CG 3.9Å; E194-Q213 PolarHBondContact N-O 3.44Å; E194-Q213 PolarHBondContact O-N 2.9Å; Q213-C222 PolarHBondContact NE2-SG 3.38Å
214	V	98.8	Very high	97	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.9	-177.8	-49.8	0	0	0	0	110.9	L185 V190 K191 F192 A212 L221 L223	L185-V214 HydrophobicContact CD1-CG1 3.69Å; L185-V214 HydrophobicContact CD2-CG1 4.44Å; V190-V214 HydrophobicContact CG1-CB 3.68Å; V190-V214 HydrophobicContact CG1-CG1 4.01Å; V190-V214 HydrophobicContact CG1-CG2 3.73Å; K191-V214 CarbonylContact O-C 3.46Å; K191-V214 VanDerWaalsContact O-CA 3.3Å; K191-V214 WeakPolarHBondContact O-CA 3.28Å; K191-V214 WeakPolarHBondContact O-CB 3.1Å; F192-V214 HydrophobicContact CD2-CG1 4.49Å; A212-V214 HydrophobicContact CB-CG1 4.31Å; V214-L221 HydrophobicContact CG2-CB 3.69Å; V214-L221 PolarHBondContact N-O 3.3Å; V214-L221 PolarHBondContact O-N 3.36Å; V214-L223 HydrophobicContact CB-CD1 4.49Å; V214-L223 HydrophobicContact CG1-CD1 3.91Å; V214-L223 HydrophobicContact CG2-CD1 3.71Å; V214-L223 HydrophobicContact CG2-CG 3.93Å
215	T	98	Very high	97.3	Very high	32 Å²	32	26.7 Å²	26.7	20%	0.196	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.2	164.5	55.9	0	0	0	0	111.1	K191 L193 Q219	K191-T215 WeakPolarHBondContact CB-OG1 3.34Å; K191-T215 PolarHBondContact N-O 3.43Å; K191-T215 PolarHBondContact O-N 2.84Å; L193-T215 HydrophobicContact CD1-CG2 4.09Å; T215-Q219 CarbonylContact C-O 3.54Å; T215-Q219 WeakPolarHBondContact CA-O 3.45Å
216	F	96.1	Very high	97.6	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.1	174.7	174.4	-101.3	0	0	0	107.7	K114 L115 R189 V190 G218 Q219 L221	K114-F216 VanDerWaalsContact O-CZ 3.26Å; K114-F216 WeakPolarHBondContact O-CZ 3.47Å; L115-F216 HydrophobicContact CB-CD1 4.24Å; L115-F216 HydrophobicContact CB-CE1 3.9Å; L115-F216 HydrophobicContact CB-CZ 4.21Å; L115-F216 HydrophobicContact CD1-CB 4.35Å; L115-F216 HydrophobicContact CD1-CD1 3.99Å; L115-F216 HydrophobicContact CD1-CD2 3.79Å; L115-F216 HydrophobicContact CD1-CE1 4.23Å; L115-F216 HydrophobicContact CD1-CE2 4.03Å; L115-F216 HydrophobicContact CD1-CG 3.77Å; L115-F216 HydrophobicContact CD1-CZ 4.25Å; R189-F216 HydrophobicContact CB-CE2 4.43Å; R189-F216 WeakPolarHBondContact O-CD2 3.42Å; V190-F216 HydrophobicContact CG2-CD2 4.25Å; F216-G218 PolarHBondContact O-N 3.06Å; F216-G218 VanDerWaalsContact O-N 3.16Å; F216-Q219 PolarHBondContact N-O 2.91Å; F216-Q219 WeakPolarHBondContact O-CB 3.37Å; F216-Q219 PolarHBondContact O-N 3.04Å; F216-L221 HydrophobicContact CB-CD1 3.93Å; F216-L221 HydrophobicContact CB-CD2 4.26Å
217	K	92.6	Very high	97.7	Very high	91 Å²	91	19.9 Å²	19.9	40%	0.396	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	42.2	-176.7	-59.8	-173.7	177.2	-177.1	0	113.9	D111 G113 Q219	D111-K217 WeakPolarHBondContact OD1-CE 3.34Å; D111-K217 IonicContact OD1-NZ 2.73Å; D111-K217 PolarHBondContact OD1-NZ 2.96Å; D111-K217 WeakPolarHBondContact OD2-CE 3.18Å; D111-K217 IonicContact OD2-NZ 2.74Å; D111-K217 PolarHBondContact OD2-NZ 2.76Å; G113-K217 VanDerWaalsContact C-NZ 3.3Å; G113-K217 PolarHBondContact O-NZ 3.48Å; K217-Q219 PolarHBondContact O-N 3.19Å
218	G	91.8	Very high	97.8	Very high	75 Å²	75	19.2 Å²	19.2	77%	0.773	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-5.7	-179.2	0	0	0	0	0	115.6	F216	F216-G218 PolarHBondContact O-N 3.06Å; F216-G218 VanDerWaalsContact O-N 3.16Å
219	Q	94.4	Very high	97.7	Very high	22 Å²	22	18.1 Å²	18.1	10%	0.103	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	143.8	174.2	-60.5	178.4	57.6	0	0	110.7	T215 F216 K217 L221 P329	T215-Q219 CarbonylContact C-O 3.54Å; T215-Q219 WeakPolarHBondContact CA-O 3.45Å; F216-Q219 PolarHBondContact N-O 2.91Å; F216-Q219 WeakPolarHBondContact O-CB 3.37Å; F216-Q219 PolarHBondContact O-N 3.04Å; K217-Q219 PolarHBondContact O-N 3.19Å; Q219-L221 HydrophobicContact CB-CD1 3.95Å; Q219-L221 WeakPolarHBondContact O-CD1 3.23Å; Q219-P329 HydrophobicContact CG-CG 4.38Å; Q219-P329 PolarHBondContact OE1-O 3.06Å
220	K	97.9	Very high	97.2	Very high	105 Å²	105	18.9 Å²	18.9	46%	0.457	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.8	175.9	-63.1	177.8	-175.2	170.7	0	110.5	D255 V256 T257	K220-D255 IonicContact NZ-OD2 3.36Å; K220-D255 PolarHBondContact NZ-OD2 3.28Å; K220-V256 HydrophobicContact CB-CG2 3.93Å; K220-V256 HydrophobicContact CD-CG2 4.18Å; K220-T257 PolarHBondContact O-N 2.78Å
221	L	98.6	Very high	96.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.9	177.4	-73.7	71.1	0	0	0	110.1	L115 V214 F216 Q219 L223 T257 L331	L115-L221 HydrophobicContact CD1-CD2 4.27Å; L115-L221 HydrophobicContact CD2-CD2 3.57Å; V214-L221 HydrophobicContact CG2-CB 3.69Å; V214-L221 PolarHBondContact N-O 3.3Å; V214-L221 PolarHBondContact O-N 3.36Å; F216-L221 HydrophobicContact CB-CD1 3.93Å; F216-L221 HydrophobicContact CB-CD2 4.26Å; Q219-L221 HydrophobicContact CB-CD1 3.95Å; Q219-L221 WeakPolarHBondContact O-CD1 3.23Å; L221-L223 HydrophobicContact CB-CD2 4.36Å; L221-L223 HydrophobicContact CD2-CD2 4.31Å; L221-T257 CarbonylContact C-O 3.58Å; L221-T257 VanDerWaalsContact CA-O 3.25Å; L221-T257 WeakPolarHBondContact CA-O 3.36Å; L221-L331 HydrophobicContact CD2-CD1 4.32Å
222	C	98.8	Very high	95.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.7	165.4	177.7	0	0	0	0	107.5	Q213 V256 T257 V258 L259	Q213-C222 PolarHBondContact NE2-SG 3.38Å; C222-V256 HydrophobicContact CB-CG1 3.74Å; C222-T257 PolarHBondContact N-O 3.08Å; C222-V258 HydrophobicContact CB-CB 4.43Å; C222-V258 HydrophobicContact CB-CG1 4.09Å; C222-V258 HydrophobicContact CB-CG2 4.15Å; C222-V258 WeakPolarHBondContact O-CA 3.45Å; C222-L259 PolarHBondContact O-N 3.38Å
223	L	98.9	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.8	178.4	-57.9	178.7	0	0	0	109	V148 F150 M183 L185 V211 A212 V214 L221 L259	V148-L223 HydrophobicContact CB-CD1 4.46Å; V148-L223 HydrophobicContact CG1-CD1 3.81Å; V148-L223 HydrophobicContact CG1-CD2 4.48Å; V148-L223 HydrophobicContact CG2-CD1 3.71Å; V148-L223 HydrophobicContact CG2-CD2 4.35Å; F150-L223 HydrophobicContact CE1-CB 4.05Å; F150-L223 HydrophobicContact CZ-CB 4.03Å; F150-L223 HydrophobicContact CZ-CD2 4.33Å; M183-L223 HydrophobicContact CE-CB 3.76Å; M183-L223 HydrophobicContact SD-CB 3.65Å; M183-L223 HydrophobicContact SD-CD1 3.9Å; M183-L223 HydrophobicContact SD-CG 4.46Å; L185-L223 HydrophobicContact CD2-CD1 3.53Å; V211-L223 CarbonylContact C-O 3.53Å; V211-L223 WeakPolarHBondContact CA-O 3.39Å; A212-L223 PolarHBondContact N-O 3.14Å; A212-L223 PolarHBondContact O-N 2.88Å; V214-L223 HydrophobicContact CB-CD1 4.49Å; V214-L223 HydrophobicContact CG1-CD1 3.91Å; V214-L223 HydrophobicContact CG2-CD1 3.71Å; V214-L223 HydrophobicContact CG2-CG 3.93Å; L221-L223 HydrophobicContact CB-CD2 4.36Å; L221-L223 HydrophobicContact CD2-CD2 4.31Å; L223-L259 CarbonylContact C-O 3.56Å; L223-L259 HydrophobicContact CD2-CB 4.09Å; L223-L259 HydrophobicContact CD2-CD1 4.27Å
224	M	98.9	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.6	-174.3	-57.8	168	59.6	0	0	110.3	F150 L209 L210 V211 V245 R248 M249 V258 L259 F260 G261	F150-M224 WeakPolarHBondContact CE2-O 3.39Å; L209-M224 HydrophobicContact CD1-CB 4.13Å; L209-M224 HydrophobicContact CD1-CE 3.98Å; L209-M224 HydrophobicContact CD2-CE 3.75Å; L209-M224 HydrophobicContact CG-CE 4.27Å; L210-M224 WeakPolarHBondContact O-CA 3.25Å; V211-M224 HydrophobicContact CG1-CG 4.14Å; V211-M224 HydrophobicContact CG2-CG 4.2Å; M224-V245 HydrophobicContact CE-CG1 4.22Å; M224-R248 HydrophobicContact CE-CB 3.69Å; M224-R248 HydrophobicContact CE-CG 3.69Å; M224-R248 HydrophobicContact SD-CG 4.26Å; M224-M249 HydrophobicContact CE-CG 4.13Å; M224-M249 HydrophobicContact SD-CG 3.91Å; M224-V258 HydrophobicContact CG-CG1 4.33Å; M224-V258 HydrophobicContact SD-CG1 3.36Å; M224-V258 WeakPolarHBondContact SD-CG1 3.43Å; M224-L259 PolarHBondContact N-O 2.81Å; M224-F260 HydrophobicContact CB-CB 4.1Å; M224-F260 HydrophobicContact CB-CD2 3.84Å; M224-F260 HydrophobicContact CB-CG 4.45Å; M224-F260 HydrophobicContact CE-CD2 4.45Å; M224-F260 CarbonylContact O-C 3.59Å; M224-F260 VanDerWaalsContact O-CA 3.27Å; M224-F260 WeakPolarHBondContact O-CA 3.23Å; M224-G261 PolarHBondContact O-N 2.76Å
225	T	98.9	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147	172.6	-179.8	0	0	0	0	111.2	F150 Q152 M183 L210 G261	F150-T225 HydrophobicContact CD1-CG2 4.35Å; Q152-T225 PolarHBondContact NE2-OG1 3.17Å; M183-T225 HydrophobicContact CE-CG2 4.11Å; L210-T225 HydrophobicContact CB-CG2 3.88Å; L210-T225 HydrophobicContact CD2-CG2 3.95Å; L210-T225 HydrophobicContact CG-CG2 4.24Å; L210-T225 PolarHBondContact N-O 2.88Å; L210-T225 PolarHBondContact O-N 2.79Å; T225-G261 VanDerWaalsContact CA-O 3.26Å; T225-G261 WeakPolarHBondContact CA-O 3.44Å; T225-G261 WeakPolarHBondContact CB-O 3.46Å; T225-G261 PolarHBondContact OG1-O 2.81Å
226	S	98.9	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157	175.5	-171.5	0	0	0	0	110.6	Y200 N208 L228	Y200-S226 WeakPolarHBondContact CE2-OG 3.3Å; Y200-S226 PolarHBondContact OH-OG 3.17Å; N208-S226 WeakPolarHBondContact O-CB 2.95Å; N208-S226 PolarHBondContact O-OG 2.85Å; S226-L228 WeakPolarHBondContact OG-CD2 3.19Å
227	H	98.9	Very high	94.3	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.023	25%	0.246	C	C	.	.			trans	-112.2	96.4	165.3	-177	-177.8	0	0	0	107.6	Q152 E153 T181 R207 S230 D263 N265	Q152-H227 HydrophobicContact CB-CB 4.02Å; Q152-H227 HydrophobicContact CG-CB 3.92Å; E153-H227 IonicContact OE1-CE1 2.66Å; E153-H227 PolarHBondContact OE1-CE1 2.85Å; E153-H227 IonicContact OE1-ND1 3.57Å; T181-H227 HydrophobicContact CG2-CB 3.99Å; R207-H227 WeakPolarHBondContact CB-O 3.34Å; R207-H227 WeakPolarHBondContact CD-O 3.38Å; R207-H227 WeakPolarHBondContact CG-O 3.13Å; R207-H227 PolarHBondContact NH1-CD2 2.86Å; R207-H227 PolarHBondContact NH1-NE2 3.19Å; R207-H227 PolarHBondContact NH1-O 3.18Å; R207-H227 PolarHBondContact NH2-CE1 3.48Å; H227-S230 PolarHBondContact NE2-OG 2.66Å; H227-D263 CarbonylContact C-O 3.51Å; H227-D263 WeakPolarHBondContact CA-O 3.16Å; H227-D263 IonicContact CD2-OD2 2.78Å; H227-D263 IonicContact NE2-OD2 3.18Å; H227-D263 PolarHBondContact NE2-OD2 2.61Å; H227-N265 PolarHBondContact CD2-ND2 3.39Å; H227-N265 PolarHBondContact NE2-ND2 3.31Å; H227-N265 VanDerWaalsContact NE2-ND2 3.14Å
228	L	98.8	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.			trans	-73.8	154.6	-175.1	-48.5	-177.9	0	0	0	111.7	Y200 R207 S226 S230 R238 Q241 L242 V245 D263 T264 N265 L266	Y200-L228 HydrophobicContact CE2-CD2 4.12Å; R207-L228 PolarHBondContact NH1-O 3.11Å; S226-L228 WeakPolarHBondContact OG-CD2 3.19Å; L228-S230 PolarHBondContact O-N 3.15Å; L228-R238 HydrophobicContact CB-CG 3.99Å; L228-R238 HydrophobicContact CD1-CG 4.33Å; L228-Q241 HydrophobicContact CD2-CB 3.83Å; L228-L242 HydrophobicContact CD1-CB 4.27Å; L228-L242 HydrophobicContact CD1-CD1 4.38Å; L228-V245 HydrophobicContact CD2-CG2 4.39Å; L228-D263 PolarHBondContact N-O 2.79Å; L228-T264 WeakPolarHBondContact CB-O 3.22Å; L228-T264 HydrophobicContact CD1-CG2 4.42Å; L228-N265 PolarHBondContact O-ND2 3.38Å; L228-L266 HydrophobicContact CD1-CD1 4.45Å; L228-L266 HydrophobicContact CD1-CG 4.49Å
229	E	97.9	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.			trans	-45.3	122.6	-170.6	-149.1	75.8	-170.4	0	0	112.8	T203 Q204 M205 H234 E237 R238 Q241	T203-E229 WeakPolarHBondContact CB-OE2 3.27Å; T203-E229 PolarHBondContact OG1-OE1 3.26Å; T203-E229 PolarHBondContact OG1-OE2 3.33Å; Q204-E229 PolarHBondContact N-OE1 2.93Å; M205-E229 VanDerWaalsContact CG-OE1 3.28Å; M205-E229 WeakPolarHBondContact CG-OE1 3.28Å; M205-E229 PolarHBondContact N-OE1 3.45Å; M205-E229 HydrophobicContact SD-CG 4.25Å; E229-H234 HydrophobicContact CB-CB 4.08Å; E229-H234 HydrophobicContact CG-CB 3.48Å; E229-H234 VanDerWaalsContact CG-CB 3.48Å; E229-E237 HydrophobicContact CB-CB 4.24Å; E229-E237 HydrophobicContact CB-CG 3.91Å; E229-E237 HydrophobicContact CG-CB 4.06Å; E229-E237 HydrophobicContact CG-CG 3.71Å; E229-R238 HydrophobicContact CB-CB 4.12Å; E229-R238 PolarHBondContact O-NH1 2.94Å; E229-Q241 PolarHBondContact OE2-NE2 3.15Å
230	S	88.4	Confident	95.1	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	22%	0.217	C	C	.	.			trans	-81.7	171.9	-171.7	-51.7	0	0	0	0	112.4	R207 H227 L228 H234 N265	R207-S230 PolarHBondContact NH1-OG 3.45Å; R207-S230 PolarHBondContact NH2-OG 2.96Å; H227-S230 PolarHBondContact NE2-OG 2.66Å; L228-S230 PolarHBondContact O-N 3.15Å; S230-H234 WeakPolarHBondContact O-CB 3.1Å; S230-H234 PolarHBondContact O-ND1 2.93Å; S230-N265 PolarHBondContact OG-ND2 2.83Å; S230-N265 VanDerWaalsContact OG-ND2 3.16Å
231	C	85.1	Confident	95.1	Very high	78 Å²	78	35.7 Å²	35.7	53%	0.527	20%	0.196	S	C	.	.	S	Bend	trans	67.3	157.2	179.3	-57.1	0	0	0	0	114.6	G233 R238	C231-G233 VanDerWaalsContact C-N 3.33Å; C231-G233 PolarHBondContact O-N 3.07Å; C231-R238 PolarHBondContact O-NH1 2.94Å
232	K	81.6	Confident	95.1	Very high	173 Å²	173	35.7 Å²	35.7	75%	0.752	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-66.2	-34.9	-177.7	-174.1	178.8	177	-177.7	0	112.5	H234 A235	K232-H234 PolarHBondContact O-N 3.4Å; K232-A235 PolarHBondContact O-N 2.99Å
233	G	82.4	Confident	95.1	Very high	73 Å²	73	40.4 Å²	40.4	75%	0.753	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-63.7	-25.5	-177	0	0	0	0	0	114.4	C231 A235	C231-G233 VanDerWaalsContact C-N 3.33Å; C231-G233 PolarHBondContact O-N 3.07Å; G233-A235 PolarHBondContact O-N 2.92Å
234	H	87.9	Confident	95.1	Very high	55 Å²	55	43 Å²	43	26%	0.255	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-97.9	24.7	-175.8	-50.8	106.5	0	0	0	114	M205 E229 S230 K232 Q236 E237 R238	M205-H234 WeakPolarHBondContact CE-CE1 3.4Å; M205-H234 VanDerWaalsContact CE-ND1 3.29Å; M205-H234 WeakPolarHBondContact CE-ND1 3.41Å; E229-H234 HydrophobicContact CB-CB 4.08Å; E229-H234 HydrophobicContact CG-CB 3.48Å; E229-H234 VanDerWaalsContact CG-CB 3.48Å; S230-H234 WeakPolarHBondContact O-CB 3.1Å; S230-H234 PolarHBondContact O-ND1 2.93Å; K232-H234 PolarHBondContact O-N 3.4Å; H234-Q236 VanDerWaalsContact C-N 3.26Å; H234-Q236 PolarHBondContact O-N 3.25Å; H234-E237 PolarHBondContact O-N 3.09Å; H234-E237 VanDerWaalsContact O-N 3.13Å; H234-R238 PolarHBondContact O-N 3.28Å
235	A	92.3	Very high	95.1	Very high	22 Å²	22	43 Å²	43	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-54.7	-38.8	-179.6	0	0	0	0	0	113.7	K232 G233 M239 E270	K232-A235 PolarHBondContact O-N 2.99Å; G233-A235 PolarHBondContact O-N 2.92Å; A235-M239 WeakPolarHBondContact O-CB 3.46Å; A235-M239 WeakPolarHBondContact O-CE 3.27Å; A235-M239 VanDerWaalsContact O-CG 3.31Å; A235-M239 WeakPolarHBondContact O-CG 3.46Å; A235-M239 PolarHBondContact O-N 3.44Å; A235-E270 WeakPolarHBondContact CB-OE1 3.47Å
236	Q	97.9	Very high	95.1	Very high	154 Å²	154	43.3 Å²	43.3	72%	0.72	24%	0.235	S	C	*	.	H	α-helix	trans	-63.6	-44	178.3	-71.4	-173.3	-14.9	0	0	112.1	H234 M239 K240	H234-Q236 VanDerWaalsContact C-N 3.26Å; H234-Q236 PolarHBondContact O-N 3.25Å; Q236-M239 PolarHBondContact O-N 3.43Å; Q236-K240 WeakPolarHBondContact O-CG 3.45Å; Q236-K240 PolarHBondContact O-N 2.96Å
237	E	98.4	Very high	95.1	Very high	19 Å²	19	47.5 Å²	47.5	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-48.5	178.6	178	54.5	-153.8	0	0	110.9	T202 T203 E229 H234 M239 K240 Q241	T202-E237 WeakPolarHBondContact CB-OE2 3.44Å; T202-E237 VanDerWaalsContact OG1-CD 3.24Å; T202-E237 PolarHBondContact OG1-OE1 3.44Å; T202-E237 PolarHBondContact OG1-OE2 2.84Å; T203-E237 PolarHBondContact N-OE1 2.83Å; E229-E237 HydrophobicContact CB-CB 4.24Å; E229-E237 HydrophobicContact CB-CG 3.91Å; E229-E237 HydrophobicContact CG-CB 4.06Å; E229-E237 HydrophobicContact CG-CG 3.71Å; H234-E237 PolarHBondContact O-N 3.09Å; H234-E237 VanDerWaalsContact O-N 3.13Å; E237-M239 VanDerWaalsContact C-N 3.26Å; E237-M239 PolarHBondContact O-N 3.2Å; E237-K240 WeakPolarHBondContact O-CA 3.36Å; E237-K240 WeakPolarHBondContact O-CB 3.21Å; E237-K240 PolarHBondContact O-N 3.38Å; E237-K240 IonicContact OE2-NZ 3.97Å; E237-Q241 HydrophobicContact CG-CG 4.48Å; E237-Q241 WeakPolarHBondContact O-CG 3.48Å; E237-Q241 PolarHBondContact O-N 3.49Å; E237-Q241 WeakPolarHBondContact OE1-CG 3.48Å; E237-Q241 PolarHBondContact OE1-NE2 2.83Å
238	R	98.4	Very high	95	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-40.3	175.1	177.9	171.5	54.8	-101	4.7	113	L228 E229 C231 H234 Q241 L242 T264 N265 L266 E270	L228-R238 HydrophobicContact CB-CG 3.99Å; L228-R238 HydrophobicContact CD1-CG 4.33Å; E229-R238 HydrophobicContact CB-CB 4.12Å; E229-R238 PolarHBondContact O-NH1 2.94Å; C231-R238 PolarHBondContact O-NH1 2.94Å; H234-R238 PolarHBondContact O-N 3.28Å; R238-Q241 PolarHBondContact O-N 3.05Å; R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 PolarHBondContact O-N 2.79Å; R238-T264 WeakPolarHBondContact CD-O 3.41Å; R238-N265 VanDerWaalsContact CD-C 3.45Å; R238-N265 WeakPolarHBondContact CD-O 3.48Å; R238-N265 PolarHBondContact NE-O 2.83Å; R238-N265 VanDerWaalsContact NE-O 3.15Å; R238-L266 HydrophobicContact CG-CD2 3.85Å; R238-E270 IonicContact CZ-OE1 3.79Å; R238-E270 IonicContact CZ-OE2 3.89Å; R238-E270 IonicContact NE-OE1 3.46Å; R238-E270 IonicContact NE-OE2 3.29Å; R238-E270 PolarHBondContact NE-OE2 2.85Å; R238-E270 VanDerWaalsContact NH2-CD 3.28Å; R238-E270 IonicContact NH2-OE1 2.83Å; R238-E270 PolarHBondContact NH2-OE1 2.91Å; R238-E270 IonicContact NH2-OE2 3.13Å; R238-E270 PolarHBondContact NH2-OE2 2.86Å
239	M	98.7	Very high	95	Very high	36 Å²	36	51.3 Å²	51.3	18%	0.177	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-30.5	176.5	-74.8	-174.6	-63.5	0	0	113.6	A235 Q236 E237 H243 E270 K273 V274	A235-M239 WeakPolarHBondContact O-CB 3.46Å; A235-M239 WeakPolarHBondContact O-CE 3.27Å; A235-M239 VanDerWaalsContact O-CG 3.31Å; A235-M239 WeakPolarHBondContact O-CG 3.46Å; A235-M239 PolarHBondContact O-N 3.44Å; Q236-M239 PolarHBondContact O-N 3.43Å; E237-M239 VanDerWaalsContact C-N 3.26Å; E237-M239 PolarHBondContact O-N 3.2Å; M239-H243 PolarHBondContact O-N 2.98Å; M239-H243 PolarHBondContact O-ND1 3.49Å; M239-E270 HydrophobicContact CG-CB 3.9Å; M239-E270 HydrophobicContact CG-CG 4.2Å; M239-E270 HydrophobicContact SD-CB 4.07Å; M239-E270 HydrophobicContact SD-CG 4.11Å; M239-K273 HydrophobicContact SD-CB 4.19Å; M239-K273 HydrophobicContact SD-CD 4.02Å; M239-V274 HydrophobicContact CB-CG2 3.84Å; M239-V274 HydrophobicContact CG-CG2 3.9Å; M239-V274 HydrophobicContact SD-CG2 4.45Å
240	K	98.8	Very high	95	Very high	113 Å²	113	57 Å²	57	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-44.7	171.6	-69.3	172.8	-174.9	173.2	0	110.7	Q236 E237 L242 H243 T244	Q236-K240 WeakPolarHBondContact O-CG 3.45Å; Q236-K240 PolarHBondContact O-N 2.96Å; E237-K240 WeakPolarHBondContact O-CA 3.36Å; E237-K240 WeakPolarHBondContact O-CB 3.21Å; E237-K240 PolarHBondContact O-N 3.38Å; E237-K240 IonicContact OE2-NZ 3.97Å; K240-L242 VanDerWaalsContact C-N 3.33Å; K240-L242 PolarHBondContact O-N 3.23Å; K240-H243 WeakPolarHBondContact O-CB 3.49Å; K240-H243 PolarHBondContact O-N 3.3Å; K240-H243 VanDerWaalsContact O-N 3.14Å; K240-T244 PolarHBondContact O-N 3.07Å; K240-T244 PolarHBondContact O-OG1 3.29Å
241	Q	98.8	Very high	95.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-41.9	177.6	-61.3	171.6	-8.3	0	0	111.1	Y200 L228 E229 E237 R238 H243 T244 V245	Y200-Q241 HydrophobicContact CD1-CB 4.41Å; Y200-Q241 HydrophobicContact CD1-CG 4.09Å; Y200-Q241 HydrophobicContact CD2-CB 4.07Å; Y200-Q241 HydrophobicContact CD2-CG 3.54Å; Y200-Q241 HydrophobicContact CE1-CB 4.16Å; Y200-Q241 HydrophobicContact CE1-CG 4.34Å; Y200-Q241 HydrophobicContact CE2-CB 3.8Å; Y200-Q241 HydrophobicContact CE2-CG 3.81Å; Y200-Q241 HydrophobicContact CG-CB 4.36Å; Y200-Q241 HydrophobicContact CG-CG 3.67Å; L228-Q241 HydrophobicContact CD2-CB 3.83Å; E229-Q241 PolarHBondContact OE2-NE2 3.15Å; E237-Q241 HydrophobicContact CG-CG 4.48Å; E237-Q241 WeakPolarHBondContact O-CG 3.48Å; E237-Q241 PolarHBondContact O-N 3.49Å; E237-Q241 WeakPolarHBondContact OE1-CG 3.48Å; E237-Q241 PolarHBondContact OE1-NE2 2.83Å; R238-Q241 PolarHBondContact O-N 3.05Å; Q241-H243 VanDerWaalsContact C-N 3.33Å; Q241-H243 PolarHBondContact O-N 2.99Å; Q241-T244 WeakPolarHBondContact O-CB 3.27Å; Q241-T244 PolarHBondContact O-N 2.76Å; Q241-T244 VanDerWaalsContact O-N 3.13Å; Q241-V245 WeakPolarHBondContact O-CG2 3.32Å; Q241-V245 PolarHBondContact O-N 2.91Å
242	L	98.8	Very high	96.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-41.4	172.1	-175.7	62.2	0	0	0	112.2	L228 R238 K240 T244 V245 M246 L266 V274 Y319	L228-L242 HydrophobicContact CD1-CB 4.27Å; L228-L242 HydrophobicContact CD1-CD1 4.38Å; R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 PolarHBondContact O-N 2.79Å; K240-L242 VanDerWaalsContact C-N 3.33Å; K240-L242 PolarHBondContact O-N 3.23Å; L242-T244 VanDerWaalsContact C-N 3.32Å; L242-T244 PolarHBondContact O-N 3.46Å; L242-V245 PolarHBondContact O-N 3.13Å; L242-M246 HydrophobicContact CD1-CE 3.5Å; L242-M246 VanDerWaalsContact CD1-CE 3.5Å; L242-M246 HydrophobicContact CD1-CG 4.28Å; L242-M246 HydrophobicContact CG-CE 4.27Å; L242-M246 HydrophobicContact CG-CG 4.3Å; L242-M246 WeakPolarHBondContact O-CB 3.46Å; L242-M246 VanDerWaalsContact O-CG 3.28Å; L242-M246 WeakPolarHBondContact O-CG 3.26Å; L242-M246 PolarHBondContact O-N 2.75Å; L242-L266 HydrophobicContact CD1-CD1 3.88Å; L242-L266 HydrophobicContact CD2-CD1 3.72Å; L242-L266 HydrophobicContact CD2-CD2 3.77Å; L242-L266 HydrophobicContact CD2-CG 4.42Å; L242-L266 HydrophobicContact CG-CD1 4.36Å; L242-V274 HydrophobicContact CB-CG1 4.47Å; L242-V274 HydrophobicContact CD2-CB 3.82Å; L242-V274 HydrophobicContact CD2-CG1 3.91Å; L242-V274 HydrophobicContact CD2-CG2 3.92Å; L242-V274 HydrophobicContact CG-CB 4.38Å; L242-V274 HydrophobicContact CG-CG1 3.93Å; L242-V274 HydrophobicContact CG-CG2 4.48Å; L242-Y319 HydrophobicContact CD1-CE2 4.41Å
243	H	98.6	Very high	96.9	Very high	102 Å²	102	53 Å²	53	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-44.2	173.2	-91.8	87.3	0	0	0	111.8	M239 K240 Q241 V245 M246 Q247 V274	M239-H243 PolarHBondContact O-N 2.98Å; M239-H243 PolarHBondContact O-ND1 3.49Å; K240-H243 WeakPolarHBondContact O-CB 3.49Å; K240-H243 PolarHBondContact O-N 3.3Å; K240-H243 VanDerWaalsContact O-N 3.14Å; Q241-H243 VanDerWaalsContact C-N 3.33Å; Q241-H243 PolarHBondContact O-N 2.99Å; H243-V245 VanDerWaalsContact C-N 3.34Å; H243-V245 PolarHBondContact O-N 2.98Å; H243-M246 PolarHBondContact O-N 2.92Å; H243-Q247 VanDerWaalsContact O-CB 3.27Å; H243-Q247 WeakPolarHBondContact O-CB 3.28Å; H243-Q247 PolarHBondContact O-N 3.3Å; H243-V274 WeakPolarHBondContact ND1-CG1 3.36Å
244	T	98.8	Very high	97.6	Very high	54 Å²	54	54.5 Å²	54.5	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-44.9	176.1	-58.4	0	0	0	0	111.7	V198 Y200 K240 Q241 L242 Q247 R248	V198-T244 HydrophobicContact CG1-CG2 4.21Å; Y200-T244 HydrophobicContact CE1-CG2 3.93Å; K240-T244 PolarHBondContact O-N 3.07Å; K240-T244 PolarHBondContact O-OG1 3.29Å; Q241-T244 WeakPolarHBondContact O-CB 3.27Å; Q241-T244 PolarHBondContact O-N 2.76Å; Q241-T244 VanDerWaalsContact O-N 3.13Å; L242-T244 VanDerWaalsContact C-N 3.32Å; L242-T244 PolarHBondContact O-N 3.46Å; T244-Q247 PolarHBondContact O-N 3.14Å; T244-R248 WeakPolarHBondContact O-CB 3.39Å; T244-R248 PolarHBondContact O-N 3.11Å
245	V	98.9	Very high	98	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-52.1	175.3	172.3	0	0	0	0	110.9	Y200 L209 M224 L228 Q241 L242 H243 Q247 R248 M249 F260	Y200-V245 WeakPolarHBondContact OH-CG2 3.32Å; L209-V245 HydrophobicContact CD1-CG2 4Å; L209-V245 HydrophobicContact CD2-CG2 4.18Å; M224-V245 HydrophobicContact CE-CG1 4.22Å; L228-V245 HydrophobicContact CD2-CG2 4.39Å; Q241-V245 WeakPolarHBondContact O-CG2 3.32Å; Q241-V245 PolarHBondContact O-N 2.91Å; L242-V245 PolarHBondContact O-N 3.13Å; H243-V245 VanDerWaalsContact C-N 3.34Å; H243-V245 PolarHBondContact O-N 2.98Å; V245-Q247 VanDerWaalsContact C-N 3.31Å; V245-Q247 PolarHBondContact O-N 3.32Å; V245-R248 PolarHBondContact O-N 3.41Å; V245-M249 HydrophobicContact CG1-CG 4.48Å; V245-M249 HydrophobicContact CG1-SD 4.38Å; V245-M249 WeakPolarHBondContact O-CG 3.48Å; V245-M249 PolarHBondContact O-N 2.67Å; V245-F260 HydrophobicContact CB-CD2 4.44Å; V245-F260 HydrophobicContact CB-CE2 4.31Å; V245-F260 HydrophobicContact CG1-CB 4.22Å; V245-F260 HydrophobicContact CG1-CD1 4.07Å; V245-F260 HydrophobicContact CG1-CD2 3.37Å; V245-F260 HydrophobicContact CG1-CE1 4.26Å; V245-F260 HydrophobicContact CG1-CE2 3.62Å; V245-F260 HydrophobicContact CG1-CG 3.59Å; V245-F260 HydrophobicContact CG1-CZ 4.05Å; V245-F260 HydrophobicContact CG2-CD2 4.17Å; V245-F260 HydrophobicContact CG2-CE2 3.65Å; V245-F260 HydrophobicContact CG2-CZ 4.14Å
246	M	98.6	Very high	98.3	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-39.2	-178.4	-69.1	-59.2	159.3	0	0	112.1	L242 H243 M249 K250 V274 L276 P277 V280 Y319	L242-M246 HydrophobicContact CD1-CE 3.5Å; L242-M246 VanDerWaalsContact CD1-CE 3.5Å; L242-M246 HydrophobicContact CD1-CG 4.28Å; L242-M246 HydrophobicContact CG-CE 4.27Å; L242-M246 HydrophobicContact CG-CG 4.3Å; L242-M246 WeakPolarHBondContact O-CB 3.46Å; L242-M246 VanDerWaalsContact O-CG 3.28Å; L242-M246 WeakPolarHBondContact O-CG 3.26Å; L242-M246 PolarHBondContact O-N 2.75Å; H243-M246 PolarHBondContact O-N 2.92Å; M246-M249 PolarHBondContact O-N 2.87Å; M246-K250 WeakPolarHBondContact O-CB 3.36Å; M246-K250 PolarHBondContact O-N 2.61Å; M246-V274 HydrophobicContact CG-CG1 4.45Å; M246-L276 HydrophobicContact CE-CD2 3.29Å; M246-L276 HydrophobicContact SD-CD2 3.65Å; M246-P277 HydrophobicContact CB-CG 3.85Å; M246-P277 WeakPolarHBondContact O-CG 3.5Å; M246-P277 VanDerWaalsContact SD-CD 3.54Å; M246-P277 HydrophobicContact SD-CG 4.38Å; M246-V280 HydrophobicContact SD-CG1 4.29Å; M246-Y319 HydrophobicContact CE-CD1 4.29Å; M246-Y319 HydrophobicContact CE-CD2 3.65Å; M246-Y319 HydrophobicContact CE-CE1 4.24Å; M246-Y319 HydrophobicContact CE-CE2 3.61Å; M246-Y319 HydrophobicContact CE-CG 4.04Å
247	Q	98.4	Very high	98.3	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	23%	0.226	S	C	.	.	H	α-helix	trans	-65.6	-44.8	176	-171.4	60	39.6	0	0	111.1	H243 T244 V245 M249 K250 D251	H243-Q247 VanDerWaalsContact O-CB 3.27Å; H243-Q247 WeakPolarHBondContact O-CB 3.28Å; H243-Q247 PolarHBondContact O-N 3.3Å; T244-Q247 PolarHBondContact O-N 3.14Å; V245-Q247 VanDerWaalsContact C-N 3.31Å; V245-Q247 PolarHBondContact O-N 3.32Å; Q247-M249 VanDerWaalsContact C-N 3.34Å; Q247-M249 PolarHBondContact O-N 2.99Å; Q247-K250 WeakPolarHBondContact O-CB 3.48Å; Q247-K250 PolarHBondContact O-N 3.29Å; Q247-K250 VanDerWaalsContact O-N 3.15Å; Q247-D251 PolarHBondContact NE2-OD1 3.1Å; Q247-D251 PolarHBondContact NE2-OD2 3.34Å; Q247-D251 WeakPolarHBondContact O-CB 3.36Å; Q247-D251 VanDerWaalsContact O-CG 3.24Å; Q247-D251 PolarHBondContact O-N 2.91Å
248	R	98.3	Very high	98.3	Very high	84 Å²	84	44.6 Å²	44.6	32%	0.317	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-40.4	176.1	-168.4	76.1	178.6	123.9	-5.2	111.9	E196 L209 M224 T244 V245 A252	E196-R248 IonicContact OE1-CZ 3.92Å; E196-R248 VanDerWaalsContact OE1-CZ 3.23Å; E196-R248 IonicContact OE1-NE 3.28Å; E196-R248 PolarHBondContact OE1-NE 3.39Å; E196-R248 VanDerWaalsContact OE1-NE 3.11Å; E196-R248 IonicContact OE1-NH2 3.43Å; E196-R248 PolarHBondContact OE1-NH2 2.99Å; E196-R248 IonicContact OE2-NH2 2.72Å; L209-R248 HydrophobicContact CD2-CB 4.44Å; M224-R248 HydrophobicContact CE-CB 3.69Å; M224-R248 HydrophobicContact CE-CG 3.69Å; M224-R248 HydrophobicContact SD-CG 4.26Å; T244-R248 WeakPolarHBondContact O-CB 3.39Å; T244-R248 PolarHBondContact O-N 3.11Å; V245-R248 PolarHBondContact O-N 3.41Å; R248-A252 PolarHBondContact O-N 2.74Å
249	M	98.7	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-44	173.2	-67.9	-172	81	0	0	111.4	M224 V245 M246 Q247 V258 F260 V280 R321	M224-M249 HydrophobicContact CE-CG 4.13Å; M224-M249 HydrophobicContact SD-CG 3.91Å; V245-M249 HydrophobicContact CG1-CG 4.48Å; V245-M249 HydrophobicContact CG1-SD 4.38Å; V245-M249 WeakPolarHBondContact O-CG 3.48Å; V245-M249 PolarHBondContact O-N 2.67Å; M246-M249 PolarHBondContact O-N 2.87Å; Q247-M249 VanDerWaalsContact C-N 3.34Å; Q247-M249 PolarHBondContact O-N 2.99Å; M249-V258 HydrophobicContact CB-CG1 4.31Å; M249-V258 HydrophobicContact CE-CB 4.3Å; M249-V258 HydrophobicContact CE-CG1 4.16Å; M249-V258 HydrophobicContact CG-CG1 3.86Å; M249-F260 HydrophobicContact CE-CB 4.28Å; M249-F260 HydrophobicContact SD-CB 3.84Å; M249-V280 HydrophobicContact CB-CG2 4.26Å; M249-V280 HydrophobicContact CE-CG1 3.92Å; M249-V280 HydrophobicContact SD-CG1 4.03Å; M249-R321 HydrophobicContact CE-CB 4.13Å; M249-R321 WeakPolarHBondContact O-CD 3.34Å; M249-R321 PolarHBondContact O-NE 2.77Å; M249-R321 PolarHBondContact O-NH1 3.26Å
250	K	98.1	Very high	98.4	Very high	120 Å²	120	42.9 Å²	42.9	52%	0.522	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-41.6	179.2	-179.5	-174.6	171.5	-171.9	0	112.5	M246 Q247 A252 P277 R321	M246-K250 WeakPolarHBondContact O-CB 3.36Å; M246-K250 PolarHBondContact O-N 2.61Å; Q247-K250 WeakPolarHBondContact O-CB 3.48Å; Q247-K250 PolarHBondContact O-N 3.29Å; Q247-K250 VanDerWaalsContact O-N 3.15Å; K250-A252 VanDerWaalsContact C-N 3.33Å; K250-A252 PolarHBondContact O-N 2.91Å; K250-P277 HydrophobicContact CB-CB 4.08Å; K250-P277 HydrophobicContact CB-CG 4.19Å; K250-P277 HydrophobicContact CD-CB 4.39Å; K250-P277 HydrophobicContact CG-CB 4.32Å; K250-R321 PolarHBondContact O-NH1 3.24Å; K250-R321 VanDerWaalsContact O-NH1 3.09Å
251	D	97.7	Very high	98.4	Very high	95 Å²	95	37.5 Å²	37.5	51%	0.508	19%	0.19	S	C	.	.	H	α-helix	trans	-81.8	-8.4	-171	-66.7	-17.3	0	0	0	114.3	Q247	Q247-D251 PolarHBondContact NE2-OD1 3.1Å; Q247-D251 PolarHBondContact NE2-OD2 3.34Å; Q247-D251 WeakPolarHBondContact O-CB 3.36Å; Q247-D251 VanDerWaalsContact O-CG 3.24Å; Q247-D251 PolarHBondContact O-N 2.91Å
252	A	97.8	Very high	98.4	Very high	11 Å²	11	37.5 Å²	37.5	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-63.2	148.3	177.8	0	0	0	0	0	111.5	R248 K250 V258 R321	R248-A252 PolarHBondContact O-N 2.74Å; K250-A252 VanDerWaalsContact C-N 3.33Å; K250-A252 PolarHBondContact O-N 2.91Å; A252-V258 HydrophobicContact CB-CG2 3.45Å; A252-V258 VanDerWaalsContact CB-CG2 3.45Å; A252-R321 VanDerWaalsContact O-CZ 3.3Å; A252-R321 PolarHBondContact O-NH1 3.5Å; A252-R321 PolarHBondContact O-NH2 3.13Å
253	P	97.9	Very high	98.4	Very high	78 Å²	78	37.5 Å²	37.5	51%	0.506	19%	0.19	S	C	.	.			trans	-58.3	150.6	-179.1	-25.3	34.8	0	0	0	113.7	D255 V256 R321	P253-D255 VanDerWaalsContact CB-OD1 3.31Å; P253-D255 WeakPolarHBondContact CB-OD1 3.35Å; P253-D255 PolarHBondContact O-N 2.9Å; P253-D255 VanDerWaalsContact O-N 3.14Å; P253-V256 HydrophobicContact CB-CG2 4.07Å; P253-V256 HydrophobicContact CG-CG2 4.24Å; P253-V256 WeakPolarHBondContact O-CB 3.37Å; P253-V256 PolarHBondContact O-N 3.16Å; P253-R321 PolarHBondContact O-NH2 3.27Å
254	D	97.1	Very high	98.4	Very high	104 Å²	104	32.6 Å²	32.6	56%	0.556	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	-177.4	-75.8	-32.1	0	0	0	114.3	V256 A323 S324 K325	D254-V256 VanDerWaalsContact C-N 3.29Å; D254-A323 CarbonylContact O-C 3.55Å; D254-S324 WeakPolarHBondContact CA-OG 3.3Å; D254-S324 WeakPolarHBondContact CB-OG 3.46Å; D254-S324 PolarHBondContact O-N 2.9Å; D254-S324 PolarHBondContact O-OG 3.48Å; D254-S324 PolarHBondContact OD1-OG 3.2Å; D254-K325 HydrophobicContact CB-CB 4.22Å; D254-K325 WeakPolarHBondContact O-CB 3.4Å; D254-K325 PolarHBondContact O-N 3.5Å
255	D	97.4	Very high	98.3	Very high	34 Å²	34	30.6 Å²	30.6	18%	0.182	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	6.2	175.4	71.7	-38.5	0	0	0	113.9	K220 P253 K325 V328	K220-D255 IonicContact NZ-OD2 3.36Å; K220-D255 PolarHBondContact NZ-OD2 3.28Å; P253-D255 VanDerWaalsContact CB-OD1 3.31Å; P253-D255 WeakPolarHBondContact CB-OD1 3.35Å; P253-D255 PolarHBondContact O-N 2.9Å; P253-D255 VanDerWaalsContact O-N 3.14Å; D255-K325 HydrophobicContact CB-CB 4.13Å; D255-K325 HydrophobicContact CB-CD 3.6Å; D255-V328 HydrophobicContact CB-CG2 4.2Å
256	V	98.2	Very high	98.3	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128	-178.1	-179.7	0	0	0	0	110.4	K220 C222 P253 D254 R321	K220-V256 HydrophobicContact CB-CG2 3.93Å; K220-V256 HydrophobicContact CD-CG2 4.18Å; C222-V256 HydrophobicContact CB-CG1 3.74Å; P253-V256 HydrophobicContact CB-CG2 4.07Å; P253-V256 HydrophobicContact CG-CG2 4.24Å; P253-V256 WeakPolarHBondContact O-CB 3.37Å; P253-V256 PolarHBondContact O-N 3.16Å; D254-V256 VanDerWaalsContact C-N 3.29Å; V256-R321 PolarHBondContact O-NH2 2.75Å
257	T	98.4	Very high	98.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.7	165.4	-67.1	0	0	0	0	109.3	K220 L221 C222 L320 R321 A323 L331	K220-T257 PolarHBondContact O-N 2.78Å; L221-T257 CarbonylContact C-O 3.58Å; L221-T257 VanDerWaalsContact CA-O 3.25Å; L221-T257 WeakPolarHBondContact CA-O 3.36Å; C222-T257 PolarHBondContact N-O 3.08Å; T257-L320 HydrophobicContact CG2-CD1 3.62Å; T257-R321 CarbonylContact C-O 3.51Å; T257-R321 WeakPolarHBondContact CA-O 3.45Å; T257-A323 PolarHBondContact OG1-N 2.93Å; T257-A323 VanDerWaalsContact OG1-N 3.07Å; T257-L331 HydrophobicContact CG2-CB 4.23Å; T257-L331 HydrophobicContact CG2-CD1 3.98Å; T257-L331 HydrophobicContact CG2-CG 4.34Å
258	V	98.8	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.4	178.9	-167.1	0	0	0	0	110	C222 M224 M249 A252 R321	C222-V258 HydrophobicContact CB-CB 4.43Å; C222-V258 HydrophobicContact CB-CG1 4.09Å; C222-V258 HydrophobicContact CB-CG2 4.15Å; C222-V258 WeakPolarHBondContact O-CA 3.45Å; M224-V258 HydrophobicContact CG-CG1 4.33Å; M224-V258 HydrophobicContact SD-CG1 3.36Å; M224-V258 WeakPolarHBondContact SD-CG1 3.43Å; M249-V258 HydrophobicContact CB-CG1 4.31Å; M249-V258 HydrophobicContact CE-CB 4.3Å; M249-V258 HydrophobicContact CE-CG1 4.16Å; M249-V258 HydrophobicContact CG-CG1 3.86Å; A252-V258 HydrophobicContact CB-CG2 3.45Å; A252-V258 VanDerWaalsContact CB-CG2 3.45Å; V258-R321 HydrophobicContact CB-CB 4.06Å; V258-R321 HydrophobicContact CG2-CB 4.39Å; V258-R321 PolarHBondContact N-O 3.05Å; V258-R321 PolarHBondContact O-N 3.04Å
259	L	98.8	Very high	97.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.9	172.5	-82.4	168	0	0	0	109	L115 C222 L223 M224 V318 L320 F360	L115-L259 HydrophobicContact CD2-CD1 3.44Å; L115-L259 VanDerWaalsContact CD2-CD1 3.44Å; C222-L259 PolarHBondContact O-N 3.38Å; L223-L259 CarbonylContact C-O 3.56Å; L223-L259 HydrophobicContact CD2-CB 4.09Å; L223-L259 HydrophobicContact CD2-CD1 4.27Å; M224-L259 PolarHBondContact N-O 2.81Å; L259-V318 HydrophobicContact CD2-CG1 4.38Å; L259-L320 HydrophobicContact CD2-CB 4.07Å; L259-L320 HydrophobicContact CD2-CD1 3.6Å; L259-L320 HydrophobicContact CD2-CG 4.39Å; L259-L320 HydrophobicContact CG-CD1 3.97Å; L259-F360 HydrophobicContact CD1-CD2 4.43Å; L259-F360 HydrophobicContact CD1-CE2 4.23Å; L259-F360 HydrophobicContact CD2-CD1 4.49Å; L259-F360 HydrophobicContact CD2-CE1 3.79Å; L259-F360 HydrophobicContact CD2-CE2 4.05Å; L259-F360 HydrophobicContact CD2-CZ 3.54Å
260	F	98.9	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.4	166.7	170.6	-86.1	0	0	0	109.4	L209 M224 V245 M249 T264 V318 Y319	L209-F260 HydrophobicContact CD1-CD2 4.09Å; L209-F260 HydrophobicContact CD1-CE2 3.95Å; M224-F260 HydrophobicContact CB-CB 4.1Å; M224-F260 HydrophobicContact CB-CD2 3.84Å; M224-F260 HydrophobicContact CB-CG 4.45Å; M224-F260 HydrophobicContact CE-CD2 4.45Å; M224-F260 CarbonylContact O-C 3.59Å; M224-F260 VanDerWaalsContact O-CA 3.27Å; M224-F260 WeakPolarHBondContact O-CA 3.23Å; V245-F260 HydrophobicContact CB-CD2 4.44Å; V245-F260 HydrophobicContact CB-CE2 4.31Å; V245-F260 HydrophobicContact CG1-CB 4.22Å; V245-F260 HydrophobicContact CG1-CD1 4.07Å; V245-F260 HydrophobicContact CG1-CD2 3.37Å; V245-F260 HydrophobicContact CG1-CE1 4.26Å; V245-F260 HydrophobicContact CG1-CE2 3.62Å; V245-F260 HydrophobicContact CG1-CG 3.59Å; V245-F260 HydrophobicContact CG1-CZ 4.05Å; V245-F260 HydrophobicContact CG2-CD2 4.17Å; V245-F260 HydrophobicContact CG2-CE2 3.65Å; V245-F260 HydrophobicContact CG2-CZ 4.14Å; M249-F260 HydrophobicContact CE-CB 4.28Å; M249-F260 HydrophobicContact SD-CB 3.84Å; F260-T264 HydrophobicContact CE1-CG2 3.85Å; F260-T264 HydrophobicContact CZ-CG2 4.32Å; F260-V318 CarbonylContact O-C 3.5Å; F260-V318 VanDerWaalsContact O-CA 3.31Å; F260-V318 WeakPolarHBondContact O-CA 2.78Å; F260-V318 WeakPolarHBondContact O-CG1 3.38Å; F260-Y319 AromaticContact CD1-CD2 3.54Å; F260-Y319 HydrophobicContact CD1-CD2 3.54Å; F260-Y319 HydrophobicContact CD1-CE2 4.26Å; F260-Y319 HydrophobicContact CD1-CG 4.49Å; F260-Y319 HydrophobicContact CE1-CD2 4Å; F260-Y319 HydrophobicContact CE1-CE2 4.27Å; F260-Y319 PolarHBondContact N-O 3.16Å; F260-Y319 PolarHBondContact O-N 3.13Å
261	G	98.8	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154	167.1	0	0	0	0	0	112.1	M224 T225 R317	M224-G261 PolarHBondContact O-N 2.76Å; T225-G261 VanDerWaalsContact CA-O 3.26Å; T225-G261 WeakPolarHBondContact CA-O 3.44Å; T225-G261 WeakPolarHBondContact CB-O 3.46Å; T225-G261 PolarHBondContact OG1-O 2.81Å; G261-R317 VanDerWaalsContact CA-O 3.27Å; G261-R317 WeakPolarHBondContact CA-O 3.5Å
262	G	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-178.9	174.8	0	0	0	0	0	112.9	S119 T264 D316 R317	S119-G262 VanDerWaalsContact OG-CA 3.32Å; S119-G262 WeakPolarHBondContact OG-CA 3.24Å; S119-G262 PolarHBondContact OG-N 3.28Å; G262-T264 WeakPolarHBondContact O-CG2 3.35Å; G262-T264 PolarHBondContact O-N 3.09Å; G262-T264 VanDerWaalsContact O-N 3.09Å; G262-D316 WeakPolarHBondContact O-CA 3.38Å; G262-R317 PolarHBondContact N-O 2.84Å; G262-R317 PolarHBondContact O-N 3.15Å; G262-R317 VanDerWaalsContact O-N 3.11Å
263	D	98.9	Very high	97.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	100.8	169.9	-178.3	0.6	0	0	0	110.3	N121 Q152 H227 L228 N265 F315 H353	N121-D263 HydrophobicContact CB-CB 4.17Å; N121-D263 PolarHBondContact ND2-OD2 2.91Å; N121-D263 VanDerWaalsContact ND2-OD2 3.09Å; Q152-D263 HydrophobicContact CG-CB 4.29Å; H227-D263 CarbonylContact C-O 3.51Å; H227-D263 WeakPolarHBondContact CA-O 3.16Å; H227-D263 IonicContact CD2-OD2 2.78Å; H227-D263 IonicContact NE2-OD2 3.18Å; H227-D263 PolarHBondContact NE2-OD2 2.61Å; L228-D263 PolarHBondContact N-O 2.79Å; D263-N265 PolarHBondContact OD1-N 3.17Å; D263-N265 PolarHBondContact OD1-ND2 3.22Å; D263-N265 PolarHBondContact OD2-ND2 3Å; D263-F315 WeakPolarHBondContact OD1-CB 3.36Å; D263-H353 IonicContact OD2-CE1 3.98Å; D263-H353 PolarHBondContact OD2-CE1 3.14Å; D263-H353 IonicContact OD2-NE2 3.04Å
264	T	98.9	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.			trans	-84.3	-13.9	179.5	73	0	0	0	0	113.1	L228 R238 F260 G262 L266 F315 R317	L228-T264 WeakPolarHBondContact CB-O 3.22Å; L228-T264 HydrophobicContact CD1-CG2 4.42Å; R238-T264 WeakPolarHBondContact CD-O 3.41Å; F260-T264 HydrophobicContact CE1-CG2 3.85Å; F260-T264 HydrophobicContact CZ-CG2 4.32Å; G262-T264 WeakPolarHBondContact O-CG2 3.35Å; G262-T264 PolarHBondContact O-N 3.09Å; G262-T264 VanDerWaalsContact O-N 3.09Å; T264-L266 VanDerWaalsContact CB-CD1 3.44Å; T264-L266 HydrophobicContact CG2-CD1 4.08Å; T264-L266 WeakPolarHBondContact O-CG 3.46Å; T264-L266 PolarHBondContact O-N 3.47Å; T264-L266 VanDerWaalsContact OG1-CB 3.31Å; T264-L266 WeakPolarHBondContact OG1-CB 3.25Å; T264-L266 WeakPolarHBondContact OG1-CD1 3.3Å; T264-L266 WeakPolarHBondContact OG1-CG 3.39Å; T264-L266 PolarHBondContact OG1-N 3.34Å; T264-F315 WeakPolarHBondContact CA-O 3.49Å; T264-F315 WeakPolarHBondContact CB-O 3.39Å; T264-F315 PolarHBondContact N-O 2.64Å; T264-F315 PolarHBondContact OG1-O 2.81Å; T264-R317 HydrophobicContact CG2-CB 3.88Å; T264-R317 HydrophobicContact CG2-CG 4.14Å
265	N	97.6	Very high	97.6	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.059	17%	0.169	C	C	.	.			trans	52.3	13.1	-171	-84.7	-79.6	0	0	0	114.9	H227 L228 S230 R238 D263 R267 F315	H227-N265 PolarHBondContact CD2-ND2 3.39Å; H227-N265 PolarHBondContact NE2-ND2 3.31Å; H227-N265 VanDerWaalsContact NE2-ND2 3.14Å; L228-N265 PolarHBondContact O-ND2 3.38Å; S230-N265 PolarHBondContact OG-ND2 2.83Å; S230-N265 VanDerWaalsContact OG-ND2 3.16Å; R238-N265 VanDerWaalsContact CD-C 3.45Å; R238-N265 WeakPolarHBondContact CD-O 3.48Å; R238-N265 PolarHBondContact NE-O 2.83Å; R238-N265 VanDerWaalsContact NE-O 3.15Å; D263-N265 PolarHBondContact OD1-N 3.17Å; D263-N265 PolarHBondContact OD1-ND2 3.22Å; D263-N265 PolarHBondContact OD2-ND2 3Å; N265-R267 PolarHBondContact O-NH1 3.04Å; N265-F315 VanDerWaalsContact C-CD1 3.43Å
266	L	97.8	Very high	97.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	18%	0.176	C	C	.	.			trans	-77.6	144.9	-167.9	-73.5	165.1	0	0	0	112.7	L228 R238 L242 T264 E270 V271 R317	L228-L266 HydrophobicContact CD1-CD1 4.45Å; L228-L266 HydrophobicContact CD1-CG 4.49Å; R238-L266 HydrophobicContact CG-CD2 3.85Å; L242-L266 HydrophobicContact CD1-CD1 3.88Å; L242-L266 HydrophobicContact CD2-CD1 3.72Å; L242-L266 HydrophobicContact CD2-CD2 3.77Å; L242-L266 HydrophobicContact CD2-CG 4.42Å; L242-L266 HydrophobicContact CG-CD1 4.36Å; T264-L266 VanDerWaalsContact CB-CD1 3.44Å; T264-L266 HydrophobicContact CG2-CD1 4.08Å; T264-L266 WeakPolarHBondContact O-CG 3.46Å; T264-L266 PolarHBondContact O-N 3.47Å; T264-L266 VanDerWaalsContact OG1-CB 3.31Å; T264-L266 WeakPolarHBondContact OG1-CB 3.25Å; T264-L266 WeakPolarHBondContact OG1-CD1 3.3Å; T264-L266 WeakPolarHBondContact OG1-CG 3.39Å; T264-L266 PolarHBondContact OG1-N 3.34Å; L266-E270 HydrophobicContact CD2-CB 3.96Å; L266-V271 HydrophobicContact CB-CG2 4.01Å; L266-V271 HydrophobicContact CD1-CG2 3.8Å; L266-V271 HydrophobicContact CD2-CG2 4.4Å; L266-V271 HydrophobicContact CG-CG2 4.27Å; L266-R317 PolarHBondContact O-NH2 3.02Å; L266-R317 VanDerWaalsContact O-NH2 3.17Å
267	R	95.3	Very high	97.5	Very high	70 Å²	70	31.8 Å²	31.8	26%	0.264	18%	0.182	S	C	.	.			trans	-98.3	150.6	161.2	-72.9	68.7	172.9	-180	2.7	108.8	N265 T269 E270 V271	N265-R267 PolarHBondContact O-NH1 3.04Å; R267-T269 PolarHBondContact O-N 3.1Å; R267-T269 VanDerWaalsContact O-N 3.12Å; R267-E270 HydrophobicContact CB-CG 4.33Å; R267-E270 PolarHBondContact N-OE2 3.36Å; R267-E270 WeakPolarHBondContact O-CB 3.4Å; R267-E270 PolarHBondContact O-N 2.58Å; R267-V271 PolarHBondContact O-N 3.29Å
268	D	93.7	Very high	97.3	Very high	82 Å²	82	37.9 Å²	37.9	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-31.4	-177.7	-66.7	-13.4	0	0	0	112.8	E270 V271 A272 R317	D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.83Å; D268-V271 PolarHBondContact O-N 3.25Å; D268-A272 PolarHBondContact O-N 2.83Å; D268-R317 IonicContact OD1-CZ 3.15Å; D268-R317 IonicContact OD1-NH1 2.8Å; D268-R317 PolarHBondContact OD1-NH1 3.18Å; D268-R317 IonicContact OD1-NH2 2.95Å; D268-R317 PolarHBondContact OD1-NH2 3.15Å
269	T	95.7	Very high	97.1	Very high	94 Å²	94	40.3 Å²	40.3	58%	0.577	25%	0.25	S	C	*	.	H	α-helix	trans	-67.8	-24.8	175.1	54.7	0	0	0	0	113.7	R267 K273	R267-T269 PolarHBondContact O-N 3.1Å; R267-T269 VanDerWaalsContact O-N 3.12Å; T269-K273 WeakPolarHBondContact O-CD 3.22Å; T269-K273 VanDerWaalsContact O-CG 3.25Å; T269-K273 WeakPolarHBondContact O-CG 3.45Å; T269-K273 PolarHBondContact O-N 3.03Å
270	E	97.6	Very high	97.1	Very high	13 Å²	13	41 Å²	41	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-78.9	-40.6	176.3	-64.4	165.9	169.1	0	0	110.1	A235 R238 M239 L266 R267 D268 A272 K273 V274	A235-E270 WeakPolarHBondContact CB-OE1 3.47Å; R238-E270 IonicContact CZ-OE1 3.79Å; R238-E270 IonicContact CZ-OE2 3.89Å; R238-E270 IonicContact NE-OE1 3.46Å; R238-E270 IonicContact NE-OE2 3.29Å; R238-E270 PolarHBondContact NE-OE2 2.85Å; R238-E270 VanDerWaalsContact NH2-CD 3.28Å; R238-E270 IonicContact NH2-OE1 2.83Å; R238-E270 PolarHBondContact NH2-OE1 2.91Å; R238-E270 IonicContact NH2-OE2 3.13Å; R238-E270 PolarHBondContact NH2-OE2 2.86Å; M239-E270 HydrophobicContact CG-CB 3.9Å; M239-E270 HydrophobicContact CG-CG 4.2Å; M239-E270 HydrophobicContact SD-CB 4.07Å; M239-E270 HydrophobicContact SD-CG 4.11Å; L266-E270 HydrophobicContact CD2-CB 3.96Å; R267-E270 HydrophobicContact CB-CG 4.33Å; R267-E270 PolarHBondContact N-OE2 3.36Å; R267-E270 WeakPolarHBondContact O-CB 3.4Å; R267-E270 PolarHBondContact O-N 2.58Å; D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.83Å; E270-A272 VanDerWaalsContact C-N 3.33Å; E270-A272 PolarHBondContact O-N 3.08Å; E270-K273 PolarHBondContact O-N 2.76Å; E270-K273 VanDerWaalsContact O-N 3.15Å; E270-V274 PolarHBondContact O-N 2.72Å
271	V	97.1	Very high	97.1	Very high	15 Å²	15	42.5 Å²	42.5	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-43.9	173.7	-174.4	0	0	0	0	110.8	L266 R267 D268 K273 V274 G275 L276	L266-V271 HydrophobicContact CB-CG2 4.01Å; L266-V271 HydrophobicContact CD1-CG2 3.8Å; L266-V271 HydrophobicContact CD2-CG2 4.4Å; L266-V271 HydrophobicContact CG-CG2 4.27Å; R267-V271 PolarHBondContact O-N 3.29Å; D268-V271 PolarHBondContact O-N 3.25Å; V271-K273 VanDerWaalsContact C-N 3.25Å; V271-K273 PolarHBondContact O-N 3.19Å; V271-V274 PolarHBondContact O-N 3.31Å; V271-G275 WeakPolarHBondContact O-CA 3.45Å; V271-G275 PolarHBondContact O-N 2.74Å; V271-L276 HydrophobicContact CG1-CD2 4.4Å
272	A	96.5	Very high	97.1	Very high	84 Å²	84	42.7 Å²	42.7	69%	0.694	27%	0.265	S	S	*	.	H	α-helix	trans	-62.4	-30.8	176.4	0	0	0	0	0	113.3	D268 E270	D268-A272 PolarHBondContact O-N 2.83Å; E270-A272 VanDerWaalsContact C-N 3.33Å; E270-A272 PolarHBondContact O-N 3.08Å
273	K	97.8	Very high	97.1	Very high	153 Å²	153	42.7 Å²	42.7	67%	0.665	27%	0.265	S	S	*	.	H	α-helix	trans	-77.1	-39.5	178	-76.9	171.7	-176.5	-179.7	0	113	M239 T269 E270 V271	M239-K273 HydrophobicContact SD-CB 4.19Å; M239-K273 HydrophobicContact SD-CD 4.02Å; T269-K273 WeakPolarHBondContact O-CD 3.22Å; T269-K273 VanDerWaalsContact O-CG 3.25Å; T269-K273 WeakPolarHBondContact O-CG 3.45Å; T269-K273 PolarHBondContact O-N 3.03Å; E270-K273 PolarHBondContact O-N 2.76Å; E270-K273 VanDerWaalsContact O-N 3.15Å; V271-K273 VanDerWaalsContact C-N 3.25Å; V271-K273 PolarHBondContact O-N 3.19Å
274	V	97.7	Very high	97.1	Very high	23 Å²	23	43.3 Å²	43.3	14%	0.139	27%	0.267	C	S	.	.	H	α-helix	trans	-77.1	-40.6	178.6	173.8	0	0	0	0	111	M239 L242 H243 M246 E270 V271	M239-V274 HydrophobicContact CB-CG2 3.84Å; M239-V274 HydrophobicContact CG-CG2 3.9Å; M239-V274 HydrophobicContact SD-CG2 4.45Å; L242-V274 HydrophobicContact CB-CG1 4.47Å; L242-V274 HydrophobicContact CD2-CB 3.82Å; L242-V274 HydrophobicContact CD2-CG1 3.91Å; L242-V274 HydrophobicContact CD2-CG2 3.92Å; L242-V274 HydrophobicContact CG-CB 4.38Å; L242-V274 HydrophobicContact CG-CG1 3.93Å; L242-V274 HydrophobicContact CG-CG2 4.48Å; H243-V274 WeakPolarHBondContact ND1-CG1 3.36Å; M246-V274 HydrophobicContact CG-CG1 4.45Å; E270-V274 PolarHBondContact O-N 2.72Å; V271-V274 PolarHBondContact O-N 3.31Å
275	G	96.9	Very high	97	Very high	31 Å²	31	46.8 Å²	46.8	32%	0.32	28%	0.284	S	S	.	.			trans	77.1	160.4	-175.2	0	0	0	0	0	112.9	V271	V271-G275 WeakPolarHBondContact O-CA 3.45Å; V271-G275 PolarHBondContact O-N 2.74Å
276	L	97.3	Very high	97.1	Very high	60 Å²	60	55 Å²	55	31%	0.314	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-102.2	134.9	172.2	-59	-177	0	0	0	109	M246 V271 Y319	M246-L276 HydrophobicContact CE-CD2 3.29Å; M246-L276 HydrophobicContact SD-CD2 3.65Å; V271-L276 HydrophobicContact CG1-CD2 4.4Å; L276-Y319 HydrophobicContact CD1-CD1 4.49Å; L276-Y319 HydrophobicContact CD1-CE1 4.34Å; L276-Y319 HydrophobicContact CD2-CD1 4.19Å; L276-Y319 HydrophobicContact CD2-CE1 3.87Å
277	P	96.9	Very high	97.1	Very high	26 Å²	26	56.5 Å²	56.5	17%	0.169	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-59.4	156.7	171.9	-20.9	30.8	0	0	0	112.2	M246 K250 G279 V280	M246-P277 HydrophobicContact CB-CG 3.85Å; M246-P277 WeakPolarHBondContact O-CG 3.5Å; M246-P277 VanDerWaalsContact SD-CD 3.54Å; M246-P277 HydrophobicContact SD-CG 4.38Å; K250-P277 HydrophobicContact CB-CB 4.08Å; K250-P277 HydrophobicContact CB-CG 4.19Å; K250-P277 HydrophobicContact CD-CB 4.39Å; K250-P277 HydrophobicContact CG-CB 4.32Å; P277-G279 PolarHBondContact O-N 3.06Å; P277-V280 HydrophobicContact CB-CG2 3.95Å; P277-V280 HydrophobicContact CG-CG2 4.09Å; P277-V280 WeakPolarHBondContact O-CB 3.3Å; P277-V280 PolarHBondContact O-N 3.28Å; P277-V280 VanDerWaalsContact O-N 3.09Å
278	S	94.6	Very high	97.2	Very high	129 Å²	129	56 Å²	56	90%	0.902	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.8	172.7	-171.3	0	0	0	0	110.8	V280	S278-V280 VanDerWaalsContact C-N 3.28Å; S278-V280 PolarHBondContact O-N 3.46Å
279	G	94.5	Very high	97.4	Very high	51 Å²	51	57.4 Å²	57.4	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-7.9	-178.5	0	0	0	0	0	115.3	P277 P322	P277-G279 PolarHBondContact O-N 3.06Å; G279-P322 WeakPolarHBondContact O-CD 3.29Å
280	V	98.3	Very high	97.5	Very high	14 Å²	14	56.8 Å²	56.8	9%	0.085	33%	0.331	C	S	.	.			trans	-91.6	134.2	171.5	-176.9	0	0	0	0	109.5	M246 M249 P277 S278 L320 R321	M246-V280 HydrophobicContact SD-CG1 4.29Å; M249-V280 HydrophobicContact CB-CG2 4.26Å; M249-V280 HydrophobicContact CE-CG1 3.92Å; M249-V280 HydrophobicContact SD-CG1 4.03Å; P277-V280 HydrophobicContact CB-CG2 3.95Å; P277-V280 HydrophobicContact CG-CG2 4.09Å; P277-V280 WeakPolarHBondContact O-CB 3.3Å; P277-V280 PolarHBondContact O-N 3.28Å; P277-V280 VanDerWaalsContact O-N 3.09Å; S278-V280 VanDerWaalsContact C-N 3.28Å; S278-V280 PolarHBondContact O-N 3.46Å; V280-L320 CarbonylContact C-O 3.57Å; V280-L320 WeakPolarHBondContact CA-O 3.09Å; V280-R321 HydrophobicContact CG2-CB 4.07Å; V280-R321 HydrophobicContact CG2-CG 4.1Å
281	C	97.9	Very high	97.4	Very high	32 Å²	32	61 Å²	61	22%	0.216	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.1	172.8	67.4	0	0	0	0	112.3	Y319 L320	C281-Y319 CarbonylContact O-C 3.52Å; C281-Y319 VanDerWaalsContact O-CA 3.26Å; C281-Y319 WeakPolarHBondContact O-CA 3.45Å; C281-L320 PolarHBondContact N-O 3.39Å; C281-L320 PolarHBondContact O-N 3.14Å
282	D	98.8	Very high	97.3	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.3	164.2	-176.5	-51.3	0	0	0	108.4	W284 E285 R286 R314 Y319	D282-W284 PolarHBondContact O-N 3.09Å; D282-W284 WeakPolarHBondContact OD1-CB 3.5Å; D282-W284 PolarHBondContact OD1-N 3.2Å; D282-E285 HydrophobicContact CB-CB 3.96Å; D282-E285 HydrophobicContact CB-CG 3.79Å; D282-E285 PolarHBondContact O-N 3.29Å; D282-E285 PolarHBondContact OD1-N 3.17Å; D282-E285 VanDerWaalsContact OD1-N 3.17Å; D282-R286 VanDerWaalsContact O-CB 3.3Å; D282-R286 WeakPolarHBondContact O-CB 3.43Å; D282-R286 PolarHBondContact O-N 2.89Å; D282-R314 IonicContact OD1-NH1 3.71Å; D282-R314 PolarHBondContact OD1-NH1 3.15Å; D282-R314 IonicContact OD2-CZ 2.71Å; D282-R314 VanDerWaalsContact OD2-CZ 3.31Å; D282-R314 IonicContact OD2-NH1 3.56Å; D282-R314 PolarHBondContact OD2-NH1 3.47Å; D282-R314 IonicContact OD2-NH2 2.63Å; D282-R314 PolarHBondContact OD2-NH2 2.82Å; D282-Y319 HydrophobicContact CB-CD1 3.94Å; D282-Y319 HydrophobicContact CB-CE1 3.74Å
283	V	98.7	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-43.3	-175.7	173.6	0	0	0	0	111.1	E285 R286 L287 V318 L320 P333 M336 F360	V283-E285 VanDerWaalsContact C-N 3.34Å; V283-E285 PolarHBondContact O-N 2.91Å; V283-R286 PolarHBondContact O-N 3.32Å; V283-L287 HydrophobicContact CG1-CD1 3.93Å; V283-L287 WeakPolarHBondContact O-CB 3.5Å; V283-L287 WeakPolarHBondContact O-CG 3.25Å; V283-L287 PolarHBondContact O-N 3.44Å; V283-V318 HydrophobicContact CB-CB 4.15Å; V283-V318 HydrophobicContact CB-CG1 4.41Å; V283-V318 HydrophobicContact CG2-CB 3.94Å; V283-V318 HydrophobicContact CG2-CG1 3.69Å; V283-V318 WeakPolarHBondContact CG2-O 3.42Å; V283-V318 PolarHBondContact N-O 2.82Å; V283-L320 HydrophobicContact CG2-CB 4.17Å; V283-P333 HydrophobicContact CG1-CB 3.93Å; V283-P333 HydrophobicContact CG1-CG 4.28Å; V283-P333 HydrophobicContact CG2-CG 4.27Å; V283-M336 HydrophobicContact CG1-SD 4.4Å; V283-F360 HydrophobicContact CG1-CE1 4.4Å; V283-F360 HydrophobicContact CG2-CE1 3.91Å; V283-F360 HydrophobicContact CG2-CZ 4.22Å
284	W	98.8	Very high	97.3	Very high	14 Å²	14	58.1 Å²	58.1	5%	0.053	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-42.1	178.2	174.5	78.4	0	0	0	111.1	D282 L287 K289 Q290 R294 M336	D282-W284 PolarHBondContact O-N 3.09Å; D282-W284 WeakPolarHBondContact OD1-CB 3.5Å; D282-W284 PolarHBondContact OD1-N 3.2Å; W284-L287 PolarHBondContact O-N 3.37Å; W284-K289 HydrophobicContact CD2-CB 4.42Å; W284-K289 VanDerWaalsContact CE2-CA 3.44Å; W284-K289 HydrophobicContact CE3-CB 4.37Å; W284-K289 HydrophobicContact CE3-CG 4.05Å; W284-K289 HydrophobicContact CH2-CB 3.54Å; W284-K289 HydrophobicContact CH2-CD 4.18Å; W284-K289 HydrophobicContact CH2-CG 3.78Å; W284-K289 VanDerWaalsContact CZ2-C 3.48Å; W284-K289 VanDerWaalsContact CZ2-CA 3.49Å; W284-K289 HydrophobicContact CZ2-CB 3.58Å; W284-K289 HydrophobicContact CZ2-CG 4.25Å; W284-K289 WeakPolarHBondContact CZ2-O 3.42Å; W284-K289 HydrophobicContact CZ3-CB 3.96Å; W284-K289 HydrophobicContact CZ3-CD 4.09Å; W284-K289 HydrophobicContact CZ3-CG 3.67Å; W284-K289 WeakPolarHBondContact O-CA 3.35Å; W284-K289 PolarHBondContact O-N 3.44Å; W284-Q290 PolarHBondContact NE1-O 2.94Å; W284-R294 HydrophobicContact CH2-CG 4.15Å; W284-R294 HydrophobicContact CZ2-CB 3.86Å; W284-R294 HydrophobicContact CZ2-CG 3.61Å; W284-M336 HydrophobicContact CB-CE 4.02Å; W284-M336 HydrophobicContact CB-SD 3.63Å; W284-M336 HydrophobicContact CG-CE 4.49Å; W284-M336 HydrophobicContact CG-SD 4.34Å
285	E	98.5	Very high	97.3	Very high	74 Å²	74	59.3 Å²	59.3	35%	0.346	32%	0.323	S	S	.	.	H	α-helix	trans	-67.3	-40.5	176.7	-60	-168.6	160.8	0	0	112.2	D282 V283 L287 G288 K289 R314	D282-E285 HydrophobicContact CB-CB 3.96Å; D282-E285 HydrophobicContact CB-CG 3.79Å; D282-E285 PolarHBondContact O-N 3.29Å; D282-E285 PolarHBondContact OD1-N 3.17Å; D282-E285 VanDerWaalsContact OD1-N 3.17Å; V283-E285 VanDerWaalsContact C-N 3.34Å; V283-E285 PolarHBondContact O-N 2.91Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 3.1Å; E285-G288 PolarHBondContact O-N 2.99Å; E285-G288 VanDerWaalsContact O-N 3.15Å; E285-K289 HydrophobicContact CB-CG 4.3Å; E285-K289 HydrophobicContact CG-CG 4.32Å; E285-R314 IonicContact OE1-NH2 3.8Å
286	R	98.2	Very high	97.4	Very high	184 Å²	184	57.8 Å²	57.8	69%	0.694	31%	0.308	S	S	*	.	H	α-helix	trans	-64.5	-33.8	178.6	-176.5	58.9	175.3	-168.5	1.3	112.3	D282 V283 G288 P333	D282-R286 VanDerWaalsContact O-CB 3.3Å; D282-R286 WeakPolarHBondContact O-CB 3.43Å; D282-R286 PolarHBondContact O-N 2.89Å; V283-R286 PolarHBondContact O-N 3.32Å; R286-G288 PolarHBondContact O-N 3.25Å; R286-P333 HydrophobicContact CB-CG 4.34Å; R286-P333 HydrophobicContact CG-CG 3.97Å
287	L	98.3	Very high	97.4	Very high	33 Å²	33	56.4 Å²	56.4	17%	0.173	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	13.1	176.4	-68.8	174.1	0	0	0	113.8	V283 W284 E285 Q290 P333 M336	V283-L287 HydrophobicContact CG1-CD1 3.93Å; V283-L287 WeakPolarHBondContact O-CB 3.5Å; V283-L287 WeakPolarHBondContact O-CG 3.25Å; V283-L287 PolarHBondContact O-N 3.44Å; W284-L287 PolarHBondContact O-N 3.37Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 3.1Å; L287-Q290 WeakPolarHBondContact O-CG 3.24Å; L287-Q290 PolarHBondContact O-NE2 3.26Å; L287-Q290 VanDerWaalsContact O-NE2 3.12Å; L287-P333 HydrophobicContact CD1-CB 4.14Å; L287-P333 HydrophobicContact CD2-CB 3.89Å; L287-P333 HydrophobicContact CG-CB 3.86Å; L287-M336 HydrophobicContact CD1-CB 3.51Å
288	G	98.2	Very high	97.5	Very high	59 Å²	59	55.7 Å²	55.7	61%	0.608	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	21.2	172.1	0	0	0	0	0	114.8	E285 R286 Q290	E285-G288 PolarHBondContact O-N 2.99Å; E285-G288 VanDerWaalsContact O-N 3.15Å; R286-G288 PolarHBondContact O-N 3.25Å; G288-Q290 PolarHBondContact O-N 3Å
289	K	98	Very high	97.4	Very high	113 Å²	113	50.7 Å²	50.7	49%	0.491	26%	0.257	S	S	.	.			trans	58.2	45.3	172.2	-60.1	-178	180	-173.3	0	113.1	W284 E285 E291	W284-K289 HydrophobicContact CD2-CB 4.42Å; W284-K289 VanDerWaalsContact CE2-CA 3.44Å; W284-K289 HydrophobicContact CE3-CB 4.37Å; W284-K289 HydrophobicContact CE3-CG 4.05Å; W284-K289 HydrophobicContact CH2-CB 3.54Å; W284-K289 HydrophobicContact CH2-CD 4.18Å; W284-K289 HydrophobicContact CH2-CG 3.78Å; W284-K289 VanDerWaalsContact CZ2-C 3.48Å; W284-K289 VanDerWaalsContact CZ2-CA 3.49Å; W284-K289 HydrophobicContact CZ2-CB 3.58Å; W284-K289 HydrophobicContact CZ2-CG 4.25Å; W284-K289 WeakPolarHBondContact CZ2-O 3.42Å; W284-K289 HydrophobicContact CZ3-CB 3.96Å; W284-K289 HydrophobicContact CZ3-CD 4.09Å; W284-K289 HydrophobicContact CZ3-CG 3.67Å; W284-K289 WeakPolarHBondContact O-CA 3.35Å; W284-K289 PolarHBondContact O-N 3.44Å; E285-K289 HydrophobicContact CB-CG 4.3Å; E285-K289 HydrophobicContact CG-CG 4.32Å; K289-E291 PolarHBondContact O-N 2.61Å
290	Q	96.3	Very high	97.3	Very high	81 Å²	81	56 Å²	56	38%	0.379	27%	0.266	S	S	.	.			trans	-62.8	124.6	-173.3	-56.5	-173	23.2	0	0	110.9	W284 L287 G288 H292 C293	W284-Q290 PolarHBondContact NE1-O 2.94Å; L287-Q290 WeakPolarHBondContact O-CG 3.24Å; L287-Q290 PolarHBondContact O-NE2 3.26Å; L287-Q290 VanDerWaalsContact O-NE2 3.12Å; G288-Q290 PolarHBondContact O-N 3Å; Q290-H292 VanDerWaalsContact C-N 3.31Å; Q290-H292 PolarHBondContact O-N 2.99Å; Q290-H292 PolarHBondContact OE1-CE1 3.13Å; Q290-C293 PolarHBondContact O-N 3.47Å
291	E	97.1	Very high	97.2	Very high	100 Å²	100	57.6 Å²	57.6	47%	0.467	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-68	-31.8	-169.7	-174.8	62.7	-162.1	0	0	112.5	K289 C293 R294 Y295	K289-E291 PolarHBondContact O-N 2.61Å; E291-C293 PolarHBondContact O-N 3.45Å; E291-C293 VanDerWaalsContact O-N 3.17Å; E291-R294 WeakPolarHBondContact O-CB 3.31Å; E291-R294 PolarHBondContact O-N 3.03Å; E291-R294 WeakPolarHBondContact OE2-CD 3.44Å; E291-R294 IonicContact OE2-CZ 2.82Å; E291-R294 IonicContact OE2-NE 3.75Å; E291-R294 IonicContact OE2-NH1 2.64Å; E291-R294 PolarHBondContact OE2-NH1 3.37Å; E291-Y295 WeakPolarHBondContact OE1-CE2 3.35Å
292	H	94.4	Very high	97.2	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.546	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.7	-22.8	-177.3	78.6	-98.2	0	0	0	113.3	Q290	Q290-H292 VanDerWaalsContact C-N 3.31Å; Q290-H292 PolarHBondContact O-N 2.99Å; Q290-H292 PolarHBondContact OE1-CE1 3.13Å
293	C	96.4	Very high	97	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.014	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-118.4	21.7	178.6	62.2	0	0	0	0	113.6	Q290 E291 L338	Q290-C293 PolarHBondContact O-N 3.47Å; E291-C293 PolarHBondContact O-N 3.45Å; E291-C293 VanDerWaalsContact O-N 3.17Å; C293-L338 HydrophobicContact CB-CD2 4.44Å; C293-L338 HydrophobicContact CB-CG 3.88Å
294	R	97.8	Very high	96.9	Very high	73 Å²	73	60.7 Å²	60.7	28%	0.275	30%	0.295	S	S	.	.	S	Bend	trans	-75.8	-44.7	-176.2	178.9	176.2	-176.9	174.2	1.3	113.9	W284 E291 R314	W284-R294 HydrophobicContact CH2-CG 4.15Å; W284-R294 HydrophobicContact CZ2-CB 3.86Å; W284-R294 HydrophobicContact CZ2-CG 3.61Å; E291-R294 WeakPolarHBondContact O-CB 3.31Å; E291-R294 PolarHBondContact O-N 3.03Å; E291-R294 WeakPolarHBondContact OE2-CD 3.44Å; E291-R294 IonicContact OE2-CZ 2.82Å; E291-R294 IonicContact OE2-NE 3.75Å; E291-R294 IonicContact OE2-NH1 2.64Å; E291-R294 PolarHBondContact OE2-NH1 3.37Å; R294-R314 WeakPolarHBondContact O-CB 3.34Å; R294-R314 VanDerWaalsContact O-CD 3.27Å; R294-R314 WeakPolarHBondContact O-CD 3.5Å; R294-R314 WeakPolarHBondContact O-CG 3.34Å
295	Y	98.2	Very high	96.4	Very high	47 Å²	47	63.3 Å²	63.3	18%	0.184	31%	0.307	C	S	.	.			trans	-103.5	115	-171.5	-60	-73.5	0	0	0	109.4	E291 R312 L338	E291-Y295 WeakPolarHBondContact OE1-CE2 3.35Å; Y295-R312 VanDerWaalsContact CD1-C 3.47Å; Y295-R312 HydrophobicContact CD1-CB 3.52Å; Y295-R312 HydrophobicContact CD2-CB 4.46Å; Y295-R312 HydrophobicContact CE1-CB 3.77Å; Y295-R312 VanDerWaalsContact CE2-NH1 3.31Å; Y295-R312 HydrophobicContact CG-CB 3.87Å; Y295-L338 WeakPolarHBondContact O-CD1 3.35Å
296	T	98.6	Very high	95.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-98.6	-17	-175.8	64.9	0	0	0	0	111.4	C313 F315 D316 L338 H353 W354 I356	T296-C313 PolarHBondContact N-O 2.85Å; T296-F315 PolarHBondContact OG1-N 3.15Å; T296-D316 WeakPolarHBondContact CB-OD2 3.45Å; T296-D316 HydrophobicContact CG2-CB 3.88Å; T296-D316 PolarHBondContact OG1-N 2.74Å; T296-D316 PolarHBondContact OG1-OD2 2.89Å; T296-L338 HydrophobicContact CG2-CD2 3.89Å; T296-H353 CarbonylContact O-C 3.58Å; T296-H353 WeakPolarHBondContact O-CA 3.43Å; T296-W354 PolarHBondContact O-N 2.87Å; T296-I356 HydrophobicContact CG2-CD1 3.83Å; T296-I356 HydrophobicContact CG2-CG1 3.94Å
297	W	98.1	Very high	94.8	Very high	30 Å²	30	60.2 Å²	60.2	11%	0.114	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112.2	169	-171.3	86.8	0	0	0	109	T299 F309 R312 C313 F315 D352 H353	W297-T299 HydrophobicContact CD2-CG2 4.4Å; W297-T299 HydrophobicContact CE3-CG2 4.12Å; W297-T299 HydrophobicContact CH2-CG2 3.12Å; W297-T299 HydrophobicContact CZ2-CG2 3.41Å; W297-T299 VanDerWaalsContact CZ2-CG2 3.41Å; W297-T299 HydrophobicContact CZ3-CG2 3.52Å; W297-F309 HydrophobicContact CH2-CE2 4.42Å; W297-R312 CarbonylContact O-C 3.56Å; W297-R312 WeakPolarHBondContact O-CA 3.48Å; W297-C313 HydrophobicContact CE3-CB 4.49Å; W297-C313 PolarHBondContact N-O 2.8Å; W297-C313 VanDerWaalsContact N-O 3.09Å; W297-C313 PolarHBondContact O-N 3.16Å; W297-F315 HydrophobicContact CB-CD2 3.73Å; W297-F315 HydrophobicContact CB-CE2 4.28Å; W297-F315 HydrophobicContact CD2-CD2 4.39Å; W297-F315 HydrophobicContact CD2-CE2 4.12Å; W297-F315 AromaticContact CE3-CE2 3.99Å; W297-F315 HydrophobicContact CE3-CE2 3.99Å; W297-F315 HydrophobicContact CG-CD2 4.05Å; W297-F315 HydrophobicContact CG-CE2 4.26Å; W297-D352 PolarHBondContact NE1-OD2 2.88Å; W297-H353 AromaticContact CD1-CD2 3.48Å; W297-H353 VanDerWaalsContact CD1-CD2 3.48Å; W297-H353 AromaticContact CD1-CE1 3.89Å; W297-H353 AromaticContact CD1-CG 3.91Å; W297-H353 AromaticContact CD1-NE2 3.42Å
298	D	97.4	Very high	94	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.059	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	95.4	-170.5	-171.2	-23.2	0	0	0	111.4	K300 A301 N302 R312	D298-K300 PolarHBondContact O-N 3.25Å; D298-K300 VanDerWaalsContact O-N 3.11Å; D298-K300 WeakPolarHBondContact OD1-CA 3.31Å; D298-K300 VanDerWaalsContact OD1-CB 3.22Å; D298-K300 WeakPolarHBondContact OD1-CB 3.22Å; D298-K300 PolarHBondContact OD1-N 3.48Å; D298-A301 HydrophobicContact CB-CB 4.37Å; D298-A301 PolarHBondContact O-N 3.35Å; D298-A301 VanDerWaalsContact O-N 3.1Å; D298-A301 PolarHBondContact OD1-N 3.2Å; D298-N302 WeakPolarHBondContact O-CA 3.24Å; D298-N302 VanDerWaalsContact O-CB 3.3Å; D298-N302 WeakPolarHBondContact O-CB 3.36Å; D298-N302 PolarHBondContact O-N 2.84Å; D298-R312 WeakPolarHBondContact OD1-CG 3.2Å; D298-R312 IonicContact OD1-NE 3.19Å; D298-R312 IonicContact OD2-CZ 2.77Å; D298-R312 IonicContact OD2-NE 3.21Å; D298-R312 PolarHBondContact OD2-NE 3.01Å; D298-R312 IonicContact OD2-NH2 2.84Å; D298-R312 PolarHBondContact OD2-NH2 3.34Å
299	T	92.3	Very high	93.1	Very high	24 Å²	24	67.7 Å²	67.7	15%	0.147	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6	179.2	51.4	0	0	0	0	114.9	W297 N302 V307 S311	W297-T299 HydrophobicContact CD2-CG2 4.4Å; W297-T299 HydrophobicContact CE3-CG2 4.12Å; W297-T299 HydrophobicContact CH2-CG2 3.12Å; W297-T299 HydrophobicContact CZ2-CG2 3.41Å; W297-T299 VanDerWaalsContact CZ2-CG2 3.41Å; W297-T299 HydrophobicContact CZ3-CG2 3.52Å; T299-N302 CarbonylContact C-O 3.57Å; T299-V307 HydrophobicContact CG2-CG2 3.52Å; T299-S311 PolarHBondContact N-O 2.89Å; T299-S311 PolarHBondContact OG1-N 3.39Å; T299-S311 PolarHBondContact OG1-O 3.12Å
300	K	93.6	Very high	92.7	Very high	163 Å²	163	67.2 Å²	67.2	71%	0.709	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-37.5	170.4	-175.5	-179.1	174.7	-176.3	0	111.3	D298 V310	D298-K300 PolarHBondContact O-N 3.25Å; D298-K300 VanDerWaalsContact O-N 3.11Å; D298-K300 WeakPolarHBondContact OD1-CA 3.31Å; D298-K300 VanDerWaalsContact OD1-CB 3.22Å; D298-K300 WeakPolarHBondContact OD1-CB 3.22Å; D298-K300 PolarHBondContact OD1-N 3.48Å; K300-V310 HydrophobicContact CB-CG1 3.89Å
301	A	95.4	Very high	92.3	Very high	48 Å²	48	65 Å²	65	40%	0.397	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-33.5	-176.6	0	0	0	0	0	112.5	D298 Y349 W354	D298-A301 HydrophobicContact CB-CB 4.37Å; D298-A301 PolarHBondContact O-N 3.35Å; D298-A301 VanDerWaalsContact O-N 3.1Å; D298-A301 PolarHBondContact OD1-N 3.2Å; A301-Y349 PolarHBondContact O-OH 3.11Å; A301-W354 HydrophobicContact CB-CZ2 4.12Å
302	N	97.8	Very high	92.2	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.027	34%	0.339	C	S	.	.			trans	-101.2	128	178.9	-165.2	-52.6	0	0	0	110.1	D298 T299 N304 Y349 S351 D352 W354	D298-N302 WeakPolarHBondContact O-CA 3.24Å; D298-N302 VanDerWaalsContact O-CB 3.3Å; D298-N302 WeakPolarHBondContact O-CB 3.36Å; D298-N302 PolarHBondContact O-N 2.84Å; T299-N302 CarbonylContact C-O 3.57Å; N302-N304 WeakPolarHBondContact OD1-CB 3.44Å; N302-N304 PolarHBondContact OD1-N 3.44Å; N302-Y349 HydrophobicContact CB-CD2 4.35Å; N302-Y349 HydrophobicContact CB-CE2 4.42Å; N302-S351 PolarHBondContact ND2-O 3.05Å; N302-D352 WeakPolarHBondContact ND2-CA 3.34Å; N302-D352 PolarHBondContact ND2-O 2.8Å; N302-W354 HydrophobicContact CB-CH2 3.78Å; N302-W354 HydrophobicContact CB-CZ2 3.64Å; N302-W354 VanDerWaalsContact ND2-CH2 3.3Å; N302-W354 WeakPolarHBondContact ND2-CH2 3.4Å; N302-W354 WeakPolarHBondContact ND2-CZ3 3.31Å
303	N	95.4	Very high	92.2	Very high	86 Å²	86	61 Å²	61	46%	0.46	32%	0.32	S	S	.	.			trans	-115.2	15.5	-176.9	73.6	-45.4	0	0	0	113.5	K305 K343 Y349	N303-K305 VanDerWaalsContact C-N 3.32Å; N303-K343 PolarHBondContact ND2-NZ 3.22Å; N303-K343 WeakPolarHBondContact OD1-CE 3.13Å; N303-K343 PolarHBondContact OD1-NZ 3.28Å; N303-K343 VanDerWaalsContact OD1-NZ 3.16Å; N303-Y349 VanDerWaalsContact OD1-CE2 3.23Å; N303-Y349 WeakPolarHBondContact OD1-CE2 3.44Å
304	N	96.6	Very high	92.2	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.053	32%	0.322	C	S	.	.	S	Bend	trans	-63.8	-39.2	174.7	-79.9	25.9	0	0	0	111.2	N302 R348 Y349 D352	N302-N304 WeakPolarHBondContact OD1-CB 3.44Å; N302-N304 PolarHBondContact OD1-N 3.44Å; N304-R348 PolarHBondContact O-NH2 2.86Å; N304-R348 VanDerWaalsContact O-NH2 3.15Å; N304-Y349 PolarHBondContact ND2-O 3.13Å; N304-Y349 PolarHBondContact OD1-N 2.96Å; N304-D352 HydrophobicContact CB-CB 3.93Å
305	K	88.7	Confident	92.3	Very high	68 Å²	68	58.8 Å²	58.8	30%	0.296	31%	0.312	S	S	.	.	S	Bend	trans	-98.9	127	170.7	-55.8	-59.2	-172.6	-162.1	0	110.4	D123 N303 V307 D352	D123-K305 IonicContact OD1-NZ 2.74Å; D123-K305 PolarHBondContact OD1-NZ 3.38Å; D123-K305 VanDerWaalsContact OD2-CE 3.31Å; D123-K305 WeakPolarHBondContact OD2-CE 3.44Å; D123-K305 IonicContact OD2-NZ 3.41Å; D123-K305 PolarHBondContact OD2-NZ 2.91Å; N303-K305 VanDerWaalsContact C-N 3.32Å; K305-V307 PolarHBondContact O-N 2.95Å; K305-D352 HydrophobicContact CD-CB 4.44Å; K305-D352 WeakPolarHBondContact CE-OD2 3.22Å; K305-D352 HydrophobicContact CG-CB 3.7Å; K305-D352 WeakPolarHBondContact CG-OD2 3.3Å
306	T	85	Confident	92.3	Very high	143 Å²	143	56.5 Å²	56.5	88%	0.877	30%	0.303	S	S	*	.			trans	-89.5	101.8	171.5	-59.5	0	0	0	0	109.4
307	V	78.3	Confident	92.3	Very high	50 Å²	50	56.7 Å²	56.7	30%	0.303	30%	0.304	S	S	.	.			trans	-118.6	147.3	176.1	-67.3	0	0	0	0	111.1	T299 K305 F309	T299-V307 HydrophobicContact CG2-CG2 3.52Å; K305-V307 PolarHBondContact O-N 2.95Å; V307-F309 HydrophobicContact CB-CD1 4.26Å; V307-F309 HydrophobicContact CB-CE1 3.95Å; V307-F309 HydrophobicContact CB-CE2 4.32Å; V307-F309 HydrophobicContact CB-CZ 3.98Å; V307-F309 HydrophobicContact CG1-CE1 4.32Å; V307-F309 HydrophobicContact CG1-CZ 4.11Å; V307-F309 HydrophobicContact CG2-CD2 4.28Å; V307-F309 HydrophobicContact CG2-CE2 4.11Å; V307-F309 HydrophobicContact CG2-CZ 4.27Å; V307-F309 VanDerWaalsContact CG2-O 3.3Å; V307-F309 WeakPolarHBondContact CG2-O 3.28Å; V307-F309 PolarHBondContact O-N 3.29Å; V307-F309 VanDerWaalsContact O-N 3.13Å
308	P	80.5	Confident	92.4	Very high	136 Å²	136	55.3 Å²	55.3	88%	0.883	30%	0.299	S	S	*	.	S	Bend	trans	-77.8	7.5	-177.3	32.6	-36.3	0	0	0	113.7
309	F	79.9	Confident	92.4	Very high	114 Å²	114	54.8 Å²	54.8	50%	0.5	30%	0.296	S	S	.	.	S	Bend	trans	-135.1	152.6	-175.5	57.4	-98.5	0	0	0	111.2	W297 V307	W297-F309 HydrophobicContact CH2-CE2 4.42Å; V307-F309 HydrophobicContact CB-CD1 4.26Å; V307-F309 HydrophobicContact CB-CE1 3.95Å; V307-F309 HydrophobicContact CB-CE2 4.32Å; V307-F309 HydrophobicContact CB-CZ 3.98Å; V307-F309 HydrophobicContact CG1-CE1 4.32Å; V307-F309 HydrophobicContact CG1-CZ 4.11Å; V307-F309 HydrophobicContact CG2-CD2 4.28Å; V307-F309 HydrophobicContact CG2-CE2 4.11Å; V307-F309 HydrophobicContact CG2-CZ 4.27Å; V307-F309 VanDerWaalsContact CG2-O 3.3Å; V307-F309 WeakPolarHBondContact CG2-O 3.28Å; V307-F309 PolarHBondContact O-N 3.29Å; V307-F309 VanDerWaalsContact O-N 3.13Å
310	V	88.2	Confident	92.8	Very high	103 Å²	103	53.7 Å²	53.7	62%	0.624	29%	0.289	S	S	*	.			trans	-90.2	123.2	168.2	174.6	0	0	0	0	109.1	K300 R312	K300-V310 HydrophobicContact CB-CG1 3.89Å; V310-R312 HydrophobicContact CG1-CG 4.36Å
311	S	88.1	Confident	93	Very high	33 Å²	33	46.7 Å²	46.7	23%	0.231	26%	0.258	C	S	.	.			trans	-138.2	134	173.8	177.2	0	0	0	0	110.2	T299	T299-S311 PolarHBondContact N-O 2.89Å; T299-S311 PolarHBondContact OG1-N 3.39Å; T299-S311 PolarHBondContact OG1-O 3.12Å
312	R	94.6	Very high	93.1	Very high	111 Å²	111	46.1 Å²	46.1	42%	0.419	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.7	-177.7	-49.3	178.5	67.1	-148.9	1.8	107.4	Y295 W297 D298 V310	Y295-R312 VanDerWaalsContact CD1-C 3.47Å; Y295-R312 HydrophobicContact CD1-CB 3.52Å; Y295-R312 HydrophobicContact CD2-CB 4.46Å; Y295-R312 HydrophobicContact CE1-CB 3.77Å; Y295-R312 VanDerWaalsContact CE2-NH1 3.31Å; Y295-R312 HydrophobicContact CG-CB 3.87Å; W297-R312 CarbonylContact O-C 3.56Å; W297-R312 WeakPolarHBondContact O-CA 3.48Å; D298-R312 WeakPolarHBondContact OD1-CG 3.2Å; D298-R312 IonicContact OD1-NE 3.19Å; D298-R312 IonicContact OD2-CZ 2.77Å; D298-R312 IonicContact OD2-NE 3.21Å; D298-R312 PolarHBondContact OD2-NE 3.01Å; D298-R312 IonicContact OD2-NH2 2.84Å; D298-R312 PolarHBondContact OD2-NH2 3.34Å; V310-R312 HydrophobicContact CG1-CG 4.36Å
313	C	94.4	Very high	93	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.155	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.3	-172.5	-68.9	0	0	0	0	111.2	T296 W297 F315	T296-C313 PolarHBondContact N-O 2.85Å; W297-C313 HydrophobicContact CE3-CB 4.49Å; W297-C313 PolarHBondContact N-O 2.8Å; W297-C313 VanDerWaalsContact N-O 3.09Å; W297-C313 PolarHBondContact O-N 3.16Å; C313-F315 HydrophobicContact CB-CD1 3.62Å; C313-F315 HydrophobicContact CB-CD2 3.76Å; C313-F315 HydrophobicContact CB-CE1 3.45Å; C313-F315 VanDerWaalsContact CB-CE1 3.45Å; C313-F315 HydrophobicContact CB-CE2 3.57Å; C313-F315 HydrophobicContact CB-CG 3.78Å; C313-F315 HydrophobicContact CB-CZ 3.42Å; C313-F315 VanDerWaalsContact CB-CZ 3.42Å; C313-F315 WeakPolarHBondContact SG-CZ 3.43Å
314	R	98.3	Very high	93	Very high	14 Å²	14	44.2 Å²	44.2	5%	0.053	24%	0.244	C	C	.	.			trans	-100.5	69.2	170	-169.7	171.3	72.8	90.9	-12.8	108.3	D282 E285 R294 R317	D282-R314 IonicContact OD1-NH1 3.71Å; D282-R314 PolarHBondContact OD1-NH1 3.15Å; D282-R314 IonicContact OD2-CZ 2.71Å; D282-R314 VanDerWaalsContact OD2-CZ 3.31Å; D282-R314 IonicContact OD2-NH1 3.56Å; D282-R314 PolarHBondContact OD2-NH1 3.47Å; D282-R314 IonicContact OD2-NH2 2.63Å; D282-R314 PolarHBondContact OD2-NH2 2.82Å; E285-R314 IonicContact OE1-NH2 3.8Å; R294-R314 WeakPolarHBondContact O-CB 3.34Å; R294-R314 VanDerWaalsContact O-CD 3.27Å; R294-R314 WeakPolarHBondContact O-CD 3.5Å; R294-R314 WeakPolarHBondContact O-CG 3.34Å; R314-R317 PolarHBondContact O-NE 2.79Å; R314-R317 PolarHBondContact O-NH2 2.78Å
315	F	98.7	Very high	93	Very high	15 Å²	15	49.2 Å²	49.2	7%	0.066	27%	0.266	C	S	.	.			trans	-78.2	-42.6	-177.6	-71.8	-29.8	0	0	0	110.7	D263 T264 N265 T296 W297 C313	D263-F315 WeakPolarHBondContact OD1-CB 3.36Å; T264-F315 WeakPolarHBondContact CA-O 3.49Å; T264-F315 WeakPolarHBondContact CB-O 3.39Å; T264-F315 PolarHBondContact N-O 2.64Å; T264-F315 PolarHBondContact OG1-O 2.81Å; N265-F315 VanDerWaalsContact C-CD1 3.43Å; T296-F315 PolarHBondContact OG1-N 3.15Å; W297-F315 HydrophobicContact CB-CD2 3.73Å; W297-F315 HydrophobicContact CB-CE2 4.28Å; W297-F315 HydrophobicContact CD2-CD2 4.39Å; W297-F315 HydrophobicContact CD2-CE2 4.12Å; W297-F315 AromaticContact CE3-CE2 3.99Å; W297-F315 HydrophobicContact CE3-CE2 3.99Å; W297-F315 HydrophobicContact CG-CD2 4.05Å; W297-F315 HydrophobicContact CG-CE2 4.26Å; C313-F315 HydrophobicContact CB-CD1 3.62Å; C313-F315 HydrophobicContact CB-CD2 3.76Å; C313-F315 HydrophobicContact CB-CE1 3.45Å; C313-F315 VanDerWaalsContact CB-CE1 3.45Å; C313-F315 HydrophobicContact CB-CE2 3.57Å; C313-F315 HydrophobicContact CB-CG 3.78Å; C313-F315 HydrophobicContact CB-CZ 3.42Å; C313-F315 VanDerWaalsContact CB-CZ 3.42Å; C313-F315 WeakPolarHBondContact SG-CZ 3.43Å
316	D	98.9	Very high	93.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.1	177.2	-47.7	-96.1	0	0	0	108.9	G262 T296 H353 I356	G262-D316 WeakPolarHBondContact O-CA 3.38Å; T296-D316 WeakPolarHBondContact CB-OD2 3.45Å; T296-D316 HydrophobicContact CG2-CB 3.88Å; T296-D316 PolarHBondContact OG1-N 2.74Å; T296-D316 PolarHBondContact OG1-OD2 2.89Å; D316-H353 IonicContact OD1-ND1 3.7Å; D316-H353 PolarHBondContact OD1-ND1 2.87Å; D316-H353 IonicContact OD2-CE1 3.71Å; D316-H353 IonicContact OD2-CG 2.76Å; D316-H353 IonicContact OD2-ND1 3.31Å; D316-H353 PolarHBondContact OD2-ND1 3.14Å; D316-I356 HydrophobicContact CB-CD1 3.51Å; D316-I356 HydrophobicContact CB-CG1 4.26Å; D316-I356 WeakPolarHBondContact O-CD1 3.29Å
317	R	98.9	Very high	93.5	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.011	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.1	-177.8	-54.4	-172.9	-175.6	-143.8	1	110	G261 G262 T264 L266 D268 R314 Y319	G261-R317 VanDerWaalsContact CA-O 3.27Å; G261-R317 WeakPolarHBondContact CA-O 3.5Å; G262-R317 PolarHBondContact N-O 2.84Å; G262-R317 PolarHBondContact O-N 3.15Å; G262-R317 VanDerWaalsContact O-N 3.11Å; T264-R317 HydrophobicContact CG2-CB 3.88Å; T264-R317 HydrophobicContact CG2-CG 4.14Å; L266-R317 PolarHBondContact O-NH2 3.02Å; L266-R317 VanDerWaalsContact O-NH2 3.17Å; D268-R317 IonicContact OD1-CZ 3.15Å; D268-R317 IonicContact OD1-NH1 2.8Å; D268-R317 PolarHBondContact OD1-NH1 3.18Å; D268-R317 IonicContact OD1-NH2 2.95Å; D268-R317 PolarHBondContact OD1-NH2 3.15Å; R314-R317 PolarHBondContact O-NE 2.79Å; R314-R317 PolarHBondContact O-NH2 2.78Å; R317-Y319 HydrophobicContact CB-CE2 4.24Å; R317-Y319 VanDerWaalsContact CD-OH 3.24Å; R317-Y319 WeakPolarHBondContact CD-OH 3.27Å
318	V	98.9	Very high	94.1	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	172.4	-174.5	0	0	0	0	108.6	L117 L259 F260 V283 I356 F360	L117-V318 HydrophobicContact CD2-CG1 3.87Å; L117-V318 HydrophobicContact CD2-CG2 4.29Å; L259-V318 HydrophobicContact CD2-CG1 4.38Å; F260-V318 CarbonylContact O-C 3.5Å; F260-V318 VanDerWaalsContact O-CA 3.31Å; F260-V318 WeakPolarHBondContact O-CA 2.78Å; F260-V318 WeakPolarHBondContact O-CG1 3.38Å; V283-V318 HydrophobicContact CB-CB 4.15Å; V283-V318 HydrophobicContact CB-CG1 4.41Å; V283-V318 HydrophobicContact CG2-CB 3.94Å; V283-V318 HydrophobicContact CG2-CG1 3.69Å; V283-V318 WeakPolarHBondContact CG2-O 3.42Å; V283-V318 PolarHBondContact N-O 2.82Å; V318-I356 HydrophobicContact CG2-CG2 4.26Å; V318-F360 HydrophobicContact CG1-CZ 4.23Å
319	Y	98.9	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.5	174.9	-60.8	-65.9	0	0	0	110.2	L242 M246 F260 L276 C281 D282 R317	L242-Y319 HydrophobicContact CD1-CE2 4.41Å; M246-Y319 HydrophobicContact CE-CD1 4.29Å; M246-Y319 HydrophobicContact CE-CD2 3.65Å; M246-Y319 HydrophobicContact CE-CE1 4.24Å; M246-Y319 HydrophobicContact CE-CE2 3.61Å; M246-Y319 HydrophobicContact CE-CG 4.04Å; F260-Y319 AromaticContact CD1-CD2 3.54Å; F260-Y319 HydrophobicContact CD1-CD2 3.54Å; F260-Y319 HydrophobicContact CD1-CE2 4.26Å; F260-Y319 HydrophobicContact CD1-CG 4.49Å; F260-Y319 HydrophobicContact CE1-CD2 4Å; F260-Y319 HydrophobicContact CE1-CE2 4.27Å; F260-Y319 PolarHBondContact N-O 3.16Å; F260-Y319 PolarHBondContact O-N 3.13Å; L276-Y319 HydrophobicContact CD1-CD1 4.49Å; L276-Y319 HydrophobicContact CD1-CE1 4.34Å; L276-Y319 HydrophobicContact CD2-CD1 4.19Å; L276-Y319 HydrophobicContact CD2-CE1 3.87Å; C281-Y319 CarbonylContact O-C 3.52Å; C281-Y319 VanDerWaalsContact O-CA 3.26Å; C281-Y319 WeakPolarHBondContact O-CA 3.45Å; D282-Y319 HydrophobicContact CB-CD1 3.94Å; D282-Y319 HydrophobicContact CB-CE1 3.74Å; R317-Y319 HydrophobicContact CB-CE2 4.24Å; R317-Y319 VanDerWaalsContact CD-OH 3.24Å; R317-Y319 WeakPolarHBondContact CD-OH 3.27Å
320	L	98.8	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.8	178.9	172	68.3	0	0	0	109.8	T257 L259 V280 C281 V283 P322 P333 F360	T257-L320 HydrophobicContact CG2-CD1 3.62Å; L259-L320 HydrophobicContact CD2-CB 4.07Å; L259-L320 HydrophobicContact CD2-CD1 3.6Å; L259-L320 HydrophobicContact CD2-CG 4.39Å; L259-L320 HydrophobicContact CG-CD1 3.97Å; V280-L320 CarbonylContact C-O 3.57Å; V280-L320 WeakPolarHBondContact CA-O 3.09Å; C281-L320 PolarHBondContact N-O 3.39Å; C281-L320 PolarHBondContact O-N 3.14Å; V283-L320 HydrophobicContact CG2-CB 4.17Å; L320-P322 HydrophobicContact CD2-CG 4.14Å; L320-P322 HydrophobicContact CG-CG 4.09Å; L320-P333 HydrophobicContact CD2-CG 3.82Å; L320-F360 HydrophobicContact CD2-CD1 4.09Å; L320-F360 HydrophobicContact CD2-CE1 4.19Å
321	R	98.5	Very high	95.6	Very high	16 Å²	16	43.6 Å²	43.6	6%	0.06	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	102.5	161	-166	-158.8	77.2	169.6	12.7	108.9	M249 K250 A252 P253 V256 T257 V258 V280	M249-R321 HydrophobicContact CE-CB 4.13Å; M249-R321 WeakPolarHBondContact O-CD 3.34Å; M249-R321 PolarHBondContact O-NE 2.77Å; M249-R321 PolarHBondContact O-NH1 3.26Å; K250-R321 PolarHBondContact O-NH1 3.24Å; K250-R321 VanDerWaalsContact O-NH1 3.09Å; A252-R321 VanDerWaalsContact O-CZ 3.3Å; A252-R321 PolarHBondContact O-NH1 3.5Å; A252-R321 PolarHBondContact O-NH2 3.13Å; P253-R321 PolarHBondContact O-NH2 3.27Å; V256-R321 PolarHBondContact O-NH2 2.75Å; T257-R321 CarbonylContact C-O 3.51Å; T257-R321 WeakPolarHBondContact CA-O 3.45Å; V258-R321 HydrophobicContact CB-CB 4.06Å; V258-R321 HydrophobicContact CG2-CB 4.39Å; V258-R321 PolarHBondContact N-O 3.05Å; V258-R321 PolarHBondContact O-N 3.04Å; V280-R321 HydrophobicContact CG2-CB 4.07Å; V280-R321 HydrophobicContact CG2-CG 4.1Å
322	P	97.4	Very high	96	Very high	37 Å²	37	44 Å²	44	24%	0.24	24%	0.239	C	C	.	.			trans	-62.2	151.5	176.8	-19.2	32.7	0	0	0	111.2	G279 L320 R330 L331	G279-P322 WeakPolarHBondContact O-CD 3.29Å; L320-P322 HydrophobicContact CD2-CG 4.14Å; L320-P322 HydrophobicContact CG-CG 4.09Å; P322-R330 HydrophobicContact CB-CB 4.38Å; P322-L331 WeakPolarHBondContact CG-O 3.49Å
323	A	96.7	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.			trans	-55.4	142	165.5	0	0	0	0	0	110.5	D254 T257 V328 R330	D254-A323 CarbonylContact O-C 3.55Å; T257-A323 PolarHBondContact OG1-N 2.93Å; T257-A323 VanDerWaalsContact OG1-N 3.07Å; A323-V328 HydrophobicContact CB-CB 4.34Å; A323-V328 HydrophobicContact CB-CG1 3.74Å; A323-R330 WeakPolarHBondContact O-CD 3.35Å; A323-R330 WeakPolarHBondContact O-CG 3.48Å; A323-R330 PolarHBondContact O-NE 3.14Å
324	S	95.3	Very high	96.2	Very high	50 Å²	50	41.7 Å²	41.7	35%	0.35	23%	0.234	S	C	.	.			trans	-109.6	-21	-176.5	59	0	0	0	0	112.4	D254 R330	D254-S324 WeakPolarHBondContact CA-OG 3.3Å; D254-S324 WeakPolarHBondContact CB-OG 3.46Å; D254-S324 PolarHBondContact O-N 2.9Å; D254-S324 PolarHBondContact O-OG 3.48Å; D254-S324 PolarHBondContact OD1-OG 3.2Å; S324-R330 PolarHBondContact O-NH2 3.43Å
325	K	95.8	Very high	96.2	Very high	115 Å²	115	45.1 Å²	45.1	50%	0.5	25%	0.251	S	S	.	.	S	Bend	trans	-60.6	136.1	-179.2	-173	177.6	-179.5	178.9	0	112	D254 D255 V328	D254-K325 HydrophobicContact CB-CB 4.22Å; D254-K325 WeakPolarHBondContact O-CB 3.4Å; D254-K325 PolarHBondContact O-N 3.5Å; D255-K325 HydrophobicContact CB-CB 4.13Å; D255-K325 HydrophobicContact CB-CD 3.6Å; K325-V328 HydrophobicContact CB-CG2 4.04Å; K325-V328 HydrophobicContact CD-CG2 4.3Å; K325-V328 HydrophobicContact CG-CG2 4.31Å; K325-V328 PolarHBondContact O-N 3.42Å
326	E	93.4	Very high	96.1	Very high	186 Å²	186	44.8 Å²	44.8	87%	0.869	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	138.6	175.3	-168.9	175.9	-175.7	0	0	111.6	V328	E326-V328 VanDerWaalsContact C-N 3.27Å; E326-V328 PolarHBondContact O-N 3Å
327	G	90.3	Very high	96.1	Very high	81 Å²	81	45.6 Å²	45.6	84%	0.835	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-1.8	-177.7	0	0	0	0	0	115.2
328	V	92.3	Very high	96.1	Very high	34 Å²	34	46.3 Å²	46.3	21%	0.206	26%	0.26	C	S	.	.	S	Bend	trans	-98	126	171.6	-176	0	0	0	0	109.1	D255 A323 K325 E326	D255-V328 HydrophobicContact CB-CG2 4.2Å; A323-V328 HydrophobicContact CB-CB 4.34Å; A323-V328 HydrophobicContact CB-CG1 3.74Å; K325-V328 HydrophobicContact CB-CG2 4.04Å; K325-V328 HydrophobicContact CD-CG2 4.3Å; K325-V328 HydrophobicContact CG-CG2 4.31Å; K325-V328 PolarHBondContact O-N 3.42Å; E326-V328 VanDerWaalsContact C-N 3.27Å; E326-V328 PolarHBondContact O-N 3Å
329	P	91.1	Very high	96.1	Very high	54 Å²	54	46.3 Å²	46.3	35%	0.351	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-57.5	142.1	175.8	-22.3	31.8	0	0	0	111.6	Q219 A362	Q219-P329 HydrophobicContact CG-CG 4.38Å; Q219-P329 PolarHBondContact OE1-O 3.06Å; P329-A362 HydrophobicContact CB-CB 4.05Å
330	R	93.8	Very high	96	Very high	138 Å²	138	46.3 Å²	46.3	52%	0.521	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-103.5	119.7	-177.8	-60.4	-168	-179.9	-171	-1.8	109.6	P322 A323 S324 G363	P322-R330 HydrophobicContact CB-CB 4.38Å; A323-R330 WeakPolarHBondContact O-CD 3.35Å; A323-R330 WeakPolarHBondContact O-CG 3.48Å; A323-R330 PolarHBondContact O-NE 3.14Å; S324-R330 PolarHBondContact O-NH2 3.43Å; R330-G363 PolarHBondContact O-N 3.29Å
331	L	94.9	Very high	96	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136	170.8	-65.2	-173.5	0	0	0	110.2	L115 L221 T257 P322 F360 T361 A362	L115-L331 HydrophobicContact CD2-CD1 3.87Å; L221-L331 HydrophobicContact CD2-CD1 4.32Å; T257-L331 HydrophobicContact CG2-CB 4.23Å; T257-L331 HydrophobicContact CG2-CD1 3.98Å; T257-L331 HydrophobicContact CG2-CG 4.34Å; P322-L331 WeakPolarHBondContact CG-O 3.49Å; L331-F360 HydrophobicContact CB-CB 4.4Å; L331-T361 WeakPolarHBondContact CA-O 3.15Å; L331-A362 HydrophobicContact CD2-CB 4.01Å
332	A	96.2	Very high	95.9	Very high	43 Å²	43	54.9 Å²	54.9	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.6	171.4	0	0	0	0	0	109.8	D334 F360 T361	A332-D334 PolarHBondContact O-N 2.96Å; A332-F360 VanDerWaalsContact O-CA 3.24Å; A332-F360 WeakPolarHBondContact O-CA 3.42Å; A332-T361 PolarHBondContact N-O 3.27Å; A332-T361 PolarHBondContact O-N 3.36Å
333	P	97.4	Very high	95.9	Very high	20 Å²	20	58 Å²	58	13%	0.13	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	131.6	171.5	-23.8	37.5	0	0	0	110.6	V283 R286 L287 L320 F360	V283-P333 HydrophobicContact CG1-CB 3.93Å; V283-P333 HydrophobicContact CG1-CG 4.28Å; V283-P333 HydrophobicContact CG2-CG 4.27Å; R286-P333 HydrophobicContact CB-CG 4.34Å; R286-P333 HydrophobicContact CG-CG 3.97Å; L287-P333 HydrophobicContact CD1-CB 4.14Å; L287-P333 HydrophobicContact CD2-CB 3.89Å; L287-P333 HydrophobicContact CG-CB 3.86Å; L320-P333 HydrophobicContact CD2-CG 3.82Å; P333-F360 HydrophobicContact CB-CD1 4.48Å; P333-F360 HydrophobicContact CB-CE1 4.47Å; P333-F360 HydrophobicContact CG-CD1 4.45Å; P333-F360 HydrophobicContact CG-CE1 4.35Å
334	D	96.4	Very high	95.9	Very high	65 Å²	65	59.7 Å²	59.7	35%	0.348	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-50.1	-179.6	169.2	67.9	0	0	0	110.7	K114 A332 S359 T361	K114-D334 WeakPolarHBondContact CE-OD2 3.41Å; K114-D334 IonicContact NZ-OD1 3.24Å; K114-D334 IonicContact NZ-OD2 2.85Å; K114-D334 PolarHBondContact NZ-OD2 2.97Å; A332-D334 PolarHBondContact O-N 2.96Å; D334-S359 WeakPolarHBondContact CB-OG 3.25Å; D334-S359 PolarHBondContact N-O 3.21Å; D334-S359 PolarHBondContact OD2-OG 3.49Å; D334-T361 HydrophobicContact CB-CG2 3.84Å
335	H	96.8	Very high	95.9	Very high	85 Å²	85	65 Å²	65	39%	0.394	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.4	180	-179.5	-97.3	0	0	0	112	C358 S359	H335-C358 CarbonylContact O-C 3.57Å; H335-C358 VanDerWaalsContact O-CA 3.27Å; H335-C358 WeakPolarHBondContact O-CA 3.34Å; H335-S359 VanDerWaalsContact CB-OG 3.26Å; H335-S359 WeakPolarHBondContact CB-OG 3.41Å; H335-S359 PolarHBondContact N-O 3.2Å; H335-S359 PolarHBondContact N-OG 3.3Å; H335-S359 VanDerWaalsContact N-OG 3.16Å; H335-S359 PolarHBondContact O-N 2.9Å
336	M	98.1	Very high	95.9	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.039	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.5	171.7	178.7	-179.5	170.3	0	0	110.3	V283 W284 L287 I356 Y357	V283-M336 HydrophobicContact CG1-SD 4.4Å; W284-M336 HydrophobicContact CB-CE 4.02Å; W284-M336 HydrophobicContact CB-SD 3.63Å; W284-M336 HydrophobicContact CG-CE 4.49Å; W284-M336 HydrophobicContact CG-SD 4.34Å; L287-M336 HydrophobicContact CD1-CB 3.51Å; M336-I356 HydrophobicContact CE-CD1 3.94Å; M336-I356 HydrophobicContact CE-CG1 4.1Å; M336-I356 HydrophobicContact CE-CG2 3.66Å; M336-I356 HydrophobicContact CG-CG2 3.96Å; M336-I356 HydrophobicContact SD-CG2 4.35Å; M336-Y357 CarbonylContact C-O 3.59Å; M336-Y357 VanDerWaalsContact CA-O 3.25Å; M336-Y357 WeakPolarHBondContact CA-O 3.06Å
337	A	98.3	Very high	96	Very high	17 Å²	17	54 Å²	54	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.7	174.6	0	0	0	0	0	111.6	Y357	A337-Y357 PolarHBondContact N-O 2.97Å; A337-Y357 PolarHBondContact O-N 3.01Å
338	L	98.8	Very high	96.4	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	148.1	168.1	-62.2	175.7	0	0	0	110.3	C293 Y295 T296 L341 W354 G355 I356	C293-L338 HydrophobicContact CB-CD2 4.44Å; C293-L338 HydrophobicContact CB-CG 3.88Å; Y295-L338 WeakPolarHBondContact O-CD1 3.35Å; T296-L338 HydrophobicContact CG2-CD2 3.89Å; L338-L341 HydrophobicContact CB-CD1 4.19Å; L338-L341 HydrophobicContact CB-CD2 4.43Å; L338-L341 HydrophobicContact CB-CG 4.44Å; L338-W354 HydrophobicContact CB-CB 4.29Å; L338-W354 HydrophobicContact CD1-CB 4.33Å; L338-W354 HydrophobicContact CD1-CG 4.4Å; L338-W354 HydrophobicContact CD2-CB 4.08Å; L338-W354 HydrophobicContact CG-CB 4.44Å; L338-G355 CarbonylContact C-O 3.55Å; L338-G355 VanDerWaalsContact CA-O 3.26Å; L338-G355 WeakPolarHBondContact CA-O 3.42Å; L338-I356 HydrophobicContact CD2-CG1 4.21Å
339	I	98.6	Very high	96.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	164.3	174.4	63.7	170.9	0	0	0	109.9	I118 W120 Y140 Y144 G355	I118-I339 HydrophobicContact CD1-CD1 3.63Å; I118-I339 HydrophobicContact CG1-CD1 4.05Å; I118-I339 HydrophobicContact CG2-CD1 3.96Å; W120-I339 HydrophobicContact CE3-CD1 3.83Å; W120-I339 HydrophobicContact CE3-CG1 4.18Å; W120-I339 HydrophobicContact CH2-CD1 4.46Å; W120-I339 HydrophobicContact CH2-CG1 4.26Å; W120-I339 HydrophobicContact CZ3-CD1 3.66Å; W120-I339 HydrophobicContact CZ3-CG1 3.91Å; Y140-I339 HydrophobicContact CD1-CB 3.88Å; Y140-I339 HydrophobicContact CD1-CD1 4.14Å; Y140-I339 HydrophobicContact CD1-CG1 4.42Å; Y140-I339 HydrophobicContact CE1-CB 3.96Å; Y140-I339 HydrophobicContact CG-CD1 4.32Å; Y144-I339 HydrophobicContact CE1-CG2 4.14Å; Y144-I339 HydrophobicContact CE2-CG2 3.81Å; I339-G355 PolarHBondContact N-O 2.8Å; I339-G355 PolarHBondContact O-N 2.82Å
340	G	98.1	Very high	97	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.			trans	81.7	20.5	-179.1	0	0	0	0	0	114.1	W120 Y140 E342 W354	W120-G340 VanDerWaalsContact CH2-CA 3.45Å; Y140-G340 VanDerWaalsContact CZ-CA 3.42Å; Y140-G340 VanDerWaalsContact CZ-N 3.32Å; Y140-G340 VanDerWaalsContact OH-CA 3.25Å; Y140-G340 WeakPolarHBondContact OH-CA 3.38Å; Y140-G340 PolarHBondContact OH-N 2.84Å; G340-E342 PolarHBondContact O-N 3.35Å; G340-W354 WeakPolarHBondContact O-CZ3 3.5Å
341	L	97.9	Very high	97.2	Very high	82 Å²	82	42.9 Å²	42.9	43%	0.429	23%	0.231	S	C	.	.			trans	-80.6	-5.8	-175.3	-65.1	169.3	0	0	0	112.5	L338 Y349 W354	L338-L341 HydrophobicContact CB-CD1 4.19Å; L338-L341 HydrophobicContact CB-CD2 4.43Å; L338-L341 HydrophobicContact CB-CG 4.44Å; L341-Y349 VanDerWaalsContact O-CE1 3.29Å; L341-Y349 WeakPolarHBondContact O-CE1 3.44Å; L341-W354 HydrophobicContact CD2-CD2 3.5Å; L341-W354 VanDerWaalsContact CD2-CD2 3.5Å; L341-W354 HydrophobicContact CD2-CE3 3.94Å; L341-W354 HydrophobicContact CD2-CG 3.78Å; L341-W354 HydrophobicContact CD2-CH2 4.37Å; L341-W354 HydrophobicContact CD2-CZ2 3.98Å; L341-W354 HydrophobicContact CD2-CZ3 4.36Å
342	E	96.9	Very high	97.4	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.533	23%	0.233	S	C	.	.	S	Bend	trans	-96.9	139.1	-178.1	-63.8	81.5	173.3	0	0	110.9	Y140 G340 Y349	Y140-E342 PolarHBondContact OH-OE2 3.03Å; G340-E342 PolarHBondContact O-N 3.35Å; E342-Y349 WeakPolarHBondContact O-CD1 3.5Å
343	K	97.7	Very high	97.5	Very high	103 Å²	103	41.7 Å²	41.7	45%	0.448	22%	0.218	S	C	.	.			trans	-74	143.3	171.4	-71.1	-174.2	166.6	-143.7	0	110.3	N303 G347 R348 Y349	N303-K343 PolarHBondContact ND2-NZ 3.22Å; N303-K343 WeakPolarHBondContact OD1-CE 3.13Å; N303-K343 PolarHBondContact OD1-NZ 3.28Å; N303-K343 VanDerWaalsContact OD1-NZ 3.16Å; K343-G347 WeakPolarHBondContact CD-O 3.5Å; K343-G347 WeakPolarHBondContact CE-O 3.06Å; K343-G347 PolarHBondContact NZ-O 3.47Å; K343-R348 CarbonylContact C-O 3.57Å; K343-R348 WeakPolarHBondContact CA-O 3.32Å; K343-Y349 HydrophobicContact CG-CD1 3.94Å; K343-Y349 HydrophobicContact CG-CE1 3.51Å; K343-Y349 HydrophobicContact CG-CE2 4.21Å; K343-Y349 HydrophobicContact CG-CG 4.45Å
344	L	96.6	Very high	97.6	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.178	21%	0.214	C	C	.	.			trans	-79.8	174	167.9	-49.8	175.6	0	0	0	109.8	E132 R133 C346 G347 R348	E132-L344 HydrophobicContact CG-CB 4.47Å; E132-L344 HydrophobicContact CG-CD1 4.44Å; E132-L344 WeakPolarHBondContact OE1-CB 3.49Å; R133-L344 HydrophobicContact CB-CD1 4.33Å; R133-L344 HydrophobicContact CG-CD1 3.83Å; L344-C346 VanDerWaalsContact C-N 3.26Å; L344-C346 PolarHBondContact O-N 2.66Å; L344-G347 WeakPolarHBondContact O-CA 3.39Å; L344-G347 PolarHBondContact O-N 2.78Å; L344-R348 PolarHBondContact N-O 3.17Å
345	D	94.9	Very high	97.7	Very high	162 Å²	162	38 Å²	38	87%	0.866	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-32	-176.4	-66.9	-28.1	0	0	0	112.3	E132 G347	E132-D345 PolarHBondContact OE1-N 3.5Å; D345-G347 PolarHBondContact O-N 3.36Å; D345-G347 VanDerWaalsContact O-N 3.08Å
346	C	94.9	Very high	97.8	Very high	38 Å²	38	34 Å²	34	26%	0.257	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-3.4	170.7	61.6	0	0	0	0	114.4	N129 E132 L344 R348	N129-C346 HydrophobicContact CB-CB 4.13Å; N129-C346 WeakPolarHBondContact ND2-CB 3.19Å; E132-C346 VanDerWaalsContact CD-SG 3.53Å; E132-C346 WeakPolarHBondContact OE1-CB 3.48Å; E132-C346 PolarHBondContact OE1-N 3.13Å; E132-C346 PolarHBondContact OE1-SG 2.92Å; E132-C346 VanDerWaalsContact OE2-CB 3.27Å; E132-C346 WeakPolarHBondContact OE2-CB 3.35Å; L344-C346 VanDerWaalsContact C-N 3.26Å; L344-C346 PolarHBondContact O-N 2.66Å; C346-R348 VanDerWaalsContact C-N 3.26Å; C346-R348 PolarHBondContact O-N 3.47Å
347	G	96.9	Very high	97.8	Very high	31 Å²	31	35.7 Å²	35.7	32%	0.32	19%	0.185	S	C	.	.	S	Bend	trans	77.6	6.8	179.5	0	0	0	0	0	114.8	K343 L344 D345	K343-G347 WeakPolarHBondContact CD-O 3.5Å; K343-G347 WeakPolarHBondContact CE-O 3.06Å; K343-G347 PolarHBondContact NZ-O 3.47Å; L344-G347 WeakPolarHBondContact O-CA 3.39Å; L344-G347 PolarHBondContact O-N 2.78Å; D345-G347 PolarHBondContact O-N 3.36Å; D345-G347 VanDerWaalsContact O-N 3.08Å
348	R	97.6	Very high	97.8	Very high	43 Å²	43	34.9 Å²	34.9	16%	0.162	18%	0.178	C	C	.	.	S	Bend	trans	-101.5	165.3	172.6	-57	-176.4	76.7	115.4	-5	110.8	D126 D128 N129 N304 K343 L344 C346	D126-R348 IonicContact OD1-NH2 3.11Å; D126-R348 IonicContact OD2-CZ 3.26Å; D126-R348 IonicContact OD2-NH2 2.61Å; D126-R348 PolarHBondContact OD2-NH2 2.99Å; D128-R348 VanDerWaalsContact CB-NH1 3.35Å; D128-R348 IonicContact OD2-CZ 3.95Å; D128-R348 IonicContact OD2-NH1 3.72Å; D128-R348 PolarHBondContact OD2-NH1 3.44Å; D128-R348 IonicContact OD2-NH2 2.67Å; N129-R348 VanDerWaalsContact OD1-CD 3.25Å; N129-R348 WeakPolarHBondContact OD1-CD 3.41Å; N304-R348 PolarHBondContact O-NH2 2.86Å; N304-R348 VanDerWaalsContact O-NH2 3.15Å; K343-R348 CarbonylContact C-O 3.57Å; K343-R348 WeakPolarHBondContact CA-O 3.32Å; L344-R348 PolarHBondContact N-O 3.17Å; C346-R348 VanDerWaalsContact C-N 3.26Å; C346-R348 PolarHBondContact O-N 3.47Å
349	Y	98.4	Very high	97.7	Very high	30 Å²	30	34.2 Å²	34.2	12%	0.118	18%	0.175	C	C	.	.			trans	-88.5	164.8	168.6	-59.6	-79.3	0	0	0	110.6	A301 N302 N303 N304 L341 E342 K343 S351 W354	A301-Y349 PolarHBondContact O-OH 3.11Å; N302-Y349 HydrophobicContact CB-CD2 4.35Å; N302-Y349 HydrophobicContact CB-CE2 4.42Å; N303-Y349 VanDerWaalsContact OD1-CE2 3.23Å; N303-Y349 WeakPolarHBondContact OD1-CE2 3.44Å; N304-Y349 PolarHBondContact ND2-O 3.13Å; N304-Y349 PolarHBondContact OD1-N 2.96Å; L341-Y349 VanDerWaalsContact O-CE1 3.29Å; L341-Y349 WeakPolarHBondContact O-CE1 3.44Å; E342-Y349 WeakPolarHBondContact O-CD1 3.5Å; K343-Y349 HydrophobicContact CG-CD1 3.94Å; K343-Y349 HydrophobicContact CG-CE1 3.51Å; K343-Y349 HydrophobicContact CG-CE2 4.21Å; K343-Y349 HydrophobicContact CG-CG 4.45Å; Y349-S351 WeakPolarHBondContact CB-O 3.48Å; Y349-S351 PolarHBondContact O-N 3.22Å; Y349-S351 VanDerWaalsContact O-N 3.17Å; Y349-W354 AromaticContact CD1-CH2 3.5Å; Y349-W354 HydrophobicContact CD1-CH2 3.5Å; Y349-W354 VanDerWaalsContact CD1-CH2 3.5Å; Y349-W354 AromaticContact CD1-CZ3 3.44Å; Y349-W354 HydrophobicContact CD1-CZ3 3.44Å; Y349-W354 VanDerWaalsContact CD1-CZ3 3.44Å; Y349-W354 AromaticContact CD2-CH2 3.91Å; Y349-W354 HydrophobicContact CD2-CH2 3.91Å; Y349-W354 HydrophobicContact CD2-CZ3 4.23Å; Y349-W354 AromaticContact CE1-CH2 3.55Å; Y349-W354 HydrophobicContact CE1-CH2 3.55Å; Y349-W354 AromaticContact CE1-CZ3 3.97Å; Y349-W354 HydrophobicContact CE1-CZ3 3.97Å; Y349-W354 AromaticContact CE2-CH2 3.92Å; Y349-W354 HydrophobicContact CE2-CH2 3.92Å; Y349-W354 AromaticContact CG-CH2 3.67Å; Y349-W354 HydrophobicContact CG-CH2 3.67Å; Y349-W354 AromaticContact CG-CZ3 3.58Å; Y349-W354 HydrophobicContact CG-CZ3 3.58Å; Y349-W354 AromaticContact CZ-CH2 3.73Å
350	T	98	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-50.5	-39.5	174.2	-58.3	0	0	0	0	112.5	W120 R133 L137	W120-T350 HydrophobicContact CH2-CG2 3.72Å; W120-T350 HydrophobicContact CZ2-CG2 3.67Å; W120-T350 HydrophobicContact CZ3-CG2 4.32Å; R133-T350 WeakPolarHBondContact CB-O 3.49Å; R133-T350 PolarHBondContact NE-O 2.98Å; L137-T350 HydrophobicContact CB-CG2 4.11Å
351	S	98.7	Very high	97.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	19%	0.188	C	C	.	.			trans	-152.2	165.6	179.2	174.1	0	0	0	0	109.3	N121 N302 Y349 H353	N121-S351 VanDerWaalsContact O-CB 3.28Å; N121-S351 WeakPolarHBondContact O-CB 3.42Å; N121-S351 PolarHBondContact O-OG 2.96Å; N302-S351 PolarHBondContact ND2-O 3.05Å; Y349-S351 WeakPolarHBondContact CB-O 3.48Å; Y349-S351 PolarHBondContact O-N 3.22Å; Y349-S351 VanDerWaalsContact O-N 3.17Å; S351-H353 WeakPolarHBondContact CB-O 3.43Å; S351-H353 PolarHBondContact O-N 2.66Å; S351-H353 PolarHBondContact OG-N 3.49Å; S351-H353 VanDerWaalsContact OG-N 3.1Å
352	D	98.1	Very high	97	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	19%	0.186	C	C	.	.	S	Bend	trans	-71.1	-14.3	166.2	71.3	-41	0	0	0	112.9	D123 W297 N302 N304 K305	D123-D352 WeakPolarHBondContact CB-OD1 3.44Å; W297-D352 PolarHBondContact NE1-OD2 2.88Å; N302-D352 WeakPolarHBondContact ND2-CA 3.34Å; N302-D352 PolarHBondContact ND2-O 2.8Å; N304-D352 HydrophobicContact CB-CB 3.93Å; K305-D352 HydrophobicContact CD-CB 4.44Å; K305-D352 WeakPolarHBondContact CE-OD2 3.22Å; K305-D352 HydrophobicContact CG-CB 3.7Å; K305-D352 WeakPolarHBondContact CG-OD2 3.3Å
353	H	98.8	Very high	95.5	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.037	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-94.1	146	166	-71.4	-115.8	0	0	0	112.1	W120 N121 D263 T296 W297 D316 S351	W120-H353 PolarHBondContact NE1-O 3.38Å; N121-H353 HydrophobicContact CB-CB 4.15Å; D263-H353 IonicContact OD2-CE1 3.98Å; D263-H353 PolarHBondContact OD2-CE1 3.14Å; D263-H353 IonicContact OD2-NE2 3.04Å; T296-H353 CarbonylContact O-C 3.58Å; T296-H353 WeakPolarHBondContact O-CA 3.43Å; W297-H353 AromaticContact CD1-CD2 3.48Å; W297-H353 VanDerWaalsContact CD1-CD2 3.48Å; W297-H353 AromaticContact CD1-CE1 3.89Å; W297-H353 AromaticContact CD1-CG 3.91Å; W297-H353 AromaticContact CD1-NE2 3.42Å; D316-H353 IonicContact OD1-ND1 3.7Å; D316-H353 PolarHBondContact OD1-ND1 2.87Å; D316-H353 IonicContact OD2-CE1 3.71Å; D316-H353 IonicContact OD2-CG 2.76Å; D316-H353 IonicContact OD2-ND1 3.31Å; D316-H353 PolarHBondContact OD2-ND1 3.14Å; S351-H353 WeakPolarHBondContact CB-O 3.43Å; S351-H353 PolarHBondContact O-N 2.66Å; S351-H353 PolarHBondContact OG-N 3.49Å; S351-H353 VanDerWaalsContact OG-N 3.1Å
354	W	98.8	Very high	95.4	Very high	8 Å²	8	31.2 Å²	31.2	3%	0.03	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-82.4	137.1	162	-52.2	134.6	0	0	0	110.1	T296 A301 N302 L338 G340 L341 Y349	T296-W354 PolarHBondContact O-N 2.87Å; A301-W354 HydrophobicContact CB-CZ2 4.12Å; N302-W354 HydrophobicContact CB-CH2 3.78Å; N302-W354 HydrophobicContact CB-CZ2 3.64Å; N302-W354 VanDerWaalsContact ND2-CH2 3.3Å; N302-W354 WeakPolarHBondContact ND2-CH2 3.4Å; N302-W354 WeakPolarHBondContact ND2-CZ3 3.31Å; L338-W354 HydrophobicContact CB-CB 4.29Å; L338-W354 HydrophobicContact CD1-CB 4.33Å; L338-W354 HydrophobicContact CD1-CG 4.4Å; L338-W354 HydrophobicContact CD2-CB 4.08Å; L338-W354 HydrophobicContact CG-CB 4.44Å; G340-W354 WeakPolarHBondContact O-CZ3 3.5Å; L341-W354 HydrophobicContact CD2-CD2 3.5Å; L341-W354 VanDerWaalsContact CD2-CD2 3.5Å; L341-W354 HydrophobicContact CD2-CE3 3.94Å; L341-W354 HydrophobicContact CD2-CG 3.78Å; L341-W354 HydrophobicContact CD2-CH2 4.37Å; L341-W354 HydrophobicContact CD2-CZ2 3.98Å; L341-W354 HydrophobicContact CD2-CZ3 4.36Å; Y349-W354 AromaticContact CD1-CH2 3.5Å; Y349-W354 HydrophobicContact CD1-CH2 3.5Å; Y349-W354 VanDerWaalsContact CD1-CH2 3.5Å; Y349-W354 AromaticContact CD1-CZ3 3.44Å; Y349-W354 HydrophobicContact CD1-CZ3 3.44Å; Y349-W354 VanDerWaalsContact CD1-CZ3 3.44Å; Y349-W354 AromaticContact CD2-CH2 3.91Å; Y349-W354 HydrophobicContact CD2-CH2 3.91Å; Y349-W354 HydrophobicContact CD2-CZ3 4.23Å; Y349-W354 AromaticContact CE1-CH2 3.55Å; Y349-W354 HydrophobicContact CE1-CH2 3.55Å; Y349-W354 AromaticContact CE1-CZ3 3.97Å; Y349-W354 HydrophobicContact CE1-CZ3 3.97Å; Y349-W354 AromaticContact CE2-CH2 3.92Å; Y349-W354 HydrophobicContact CE2-CH2 3.92Å; Y349-W354 AromaticContact CG-CH2 3.67Å; Y349-W354 HydrophobicContact CG-CH2 3.67Å; Y349-W354 AromaticContact CG-CZ3 3.58Å; Y349-W354 HydrophobicContact CG-CZ3 3.58Å; Y349-W354 AromaticContact CZ-CH2 3.73Å
355	G	98.8	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.5	173	0	0	0	0	0	110.7	W120 L338 I339	W120-G355 VanDerWaalsContact CD2-CA 3.48Å; W120-G355 VanDerWaalsContact CE2-N 3.31Å; W120-G355 VanDerWaalsContact CG-CA 3.46Å; L338-G355 CarbonylContact C-O 3.55Å; L338-G355 VanDerWaalsContact CA-O 3.26Å; L338-G355 WeakPolarHBondContact CA-O 3.42Å; I339-G355 PolarHBondContact N-O 2.8Å; I339-G355 PolarHBondContact O-N 2.82Å
356	I	98.8	Very high	95.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.9	170.4	-63.4	170.3	0	0	0	108.3	I118 S119 T296 D316 V318 M336 L338 C358	I118-I356 CarbonylContact C-O 3.59Å; I118-I356 VanDerWaalsContact CA-O 3.24Å; I118-I356 WeakPolarHBondContact CA-O 3.28Å; S119-I356 PolarHBondContact N-O 3.23Å; S119-I356 PolarHBondContact O-N 2.61Å; T296-I356 HydrophobicContact CG2-CD1 3.83Å; T296-I356 HydrophobicContact CG2-CG1 3.94Å; D316-I356 HydrophobicContact CB-CD1 3.51Å; D316-I356 HydrophobicContact CB-CG1 4.26Å; D316-I356 WeakPolarHBondContact O-CD1 3.29Å; V318-I356 HydrophobicContact CG2-CG2 4.26Å; M336-I356 HydrophobicContact CE-CD1 3.94Å; M336-I356 HydrophobicContact CE-CG1 4.1Å; M336-I356 HydrophobicContact CE-CG2 3.66Å; M336-I356 HydrophobicContact CG-CG2 3.96Å; M336-I356 HydrophobicContact SD-CG2 4.35Å; L338-I356 HydrophobicContact CD2-CG1 4.21Å; I356-C358 WeakPolarHBondContact CG2-SG 3.44Å
357	Y	98.7	Very high	95.3	Very high	43 Å²	43	22.9 Å²	22.9	17%	0.169	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	164.5	174.8	-95.2	0	0	0	110.1	L117 I118 Y144 M336 A337	L117-Y357 CarbonylContact O-C 3.53Å; L117-Y357 WeakPolarHBondContact O-CA 3.37Å; I118-Y357 HydrophobicContact CD1-CD2 4.49Å; I118-Y357 HydrophobicContact CG1-CD2 3.91Å; Y144-Y357 HydrophobicContact CD1-CD1 4.21Å; Y144-Y357 AromaticContact CD1-CD2 3.54Å; Y144-Y357 HydrophobicContact CD1-CD2 3.54Å; Y144-Y357 HydrophobicContact CD1-CE1 4.32Å; Y144-Y357 AromaticContact CD1-CE2 3.67Å; Y144-Y357 HydrophobicContact CD1-CE2 3.67Å; Y144-Y357 AromaticContact CD1-CG 3.82Å; Y144-Y357 HydrophobicContact CD1-CG 3.82Å; Y144-Y357 HydrophobicContact CE1-CD1 4.24Å; Y144-Y357 HydrophobicContact CE1-CD2 4.25Å; Y144-Y357 HydrophobicContact CE1-CG 4.06Å; Y144-Y357 HydrophobicContact CG-CD2 4.11Å; Y144-Y357 HydrophobicContact CG-CE2 4.3Å; M336-Y357 CarbonylContact C-O 3.59Å; M336-Y357 VanDerWaalsContact CA-O 3.25Å; M336-Y357 WeakPolarHBondContact CA-O 3.06Å; A337-Y357 PolarHBondContact N-O 2.97Å; A337-Y357 PolarHBondContact O-N 3.01Å
358	C	98.1	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.7	175.6	-67	0	0	0	0	111.4	S116 L117 H335 I356 F360	S116-C358 CarbonylContact C-O 3.58Å; S116-C358 WeakPolarHBondContact CA-O 3.37Å; L117-C358 HydrophobicContact CB-CB 4.42Å; L117-C358 PolarHBondContact N-O 3.11Å; L117-C358 PolarHBondContact O-N 3.46Å; H335-C358 CarbonylContact O-C 3.57Å; H335-C358 VanDerWaalsContact O-CA 3.27Å; H335-C358 WeakPolarHBondContact O-CA 3.34Å; I356-C358 WeakPolarHBondContact CG2-SG 3.44Å; C358-F360 HydrophobicContact CB-CE2 3.75Å; C358-F360 HydrophobicContact CB-CZ 3.84Å
359	S	97.8	Very high	95.1	Very high	6 Å²	6	21 Å²	21	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.1	165	64.8	0	0	0	0	111.3	L115 D334 H335	L115-S359 CarbonylContact O-C 3.58Å; L115-S359 WeakPolarHBondContact O-CA 3.28Å; D334-S359 WeakPolarHBondContact CB-OG 3.25Å; D334-S359 PolarHBondContact N-O 3.21Å; D334-S359 PolarHBondContact OD2-OG 3.49Å; H335-S359 VanDerWaalsContact CB-OG 3.26Å; H335-S359 WeakPolarHBondContact CB-OG 3.41Å; H335-S359 PolarHBondContact N-O 3.2Å; H335-S359 PolarHBondContact N-OG 3.3Å; H335-S359 VanDerWaalsContact N-OG 3.16Å; H335-S359 PolarHBondContact O-N 2.9Å
360	F	97.9	Very high	94.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.6	178.9	-52.5	-91.6	0	0	0	110.3	K114 L115 L117 L259 V283 V318 L320 L331 A332 P333 C358	K114-F360 VanDerWaalsContact CA-O 3.26Å; K114-F360 WeakPolarHBondContact CA-O 3.33Å; K114-F360 WeakPolarHBondContact CB-O 3.38Å; L115-F360 HydrophobicContact CB-CB 4.36Å; L115-F360 HydrophobicContact CD2-CD2 4.24Å; L115-F360 PolarHBondContact N-O 3.4Å; L115-F360 PolarHBondContact O-N 3.01Å; L117-F360 HydrophobicContact CB-CE2 4.08Å; L117-F360 HydrophobicContact CD2-CE2 4.44Å; L259-F360 HydrophobicContact CD1-CD2 4.43Å; L259-F360 HydrophobicContact CD1-CE2 4.23Å; L259-F360 HydrophobicContact CD2-CD1 4.49Å; L259-F360 HydrophobicContact CD2-CE1 3.79Å; L259-F360 HydrophobicContact CD2-CE2 4.05Å; L259-F360 HydrophobicContact CD2-CZ 3.54Å; V283-F360 HydrophobicContact CG1-CE1 4.4Å; V283-F360 HydrophobicContact CG2-CE1 3.91Å; V283-F360 HydrophobicContact CG2-CZ 4.22Å; V318-F360 HydrophobicContact CG1-CZ 4.23Å; L320-F360 HydrophobicContact CD2-CD1 4.09Å; L320-F360 HydrophobicContact CD2-CE1 4.19Å; L331-F360 HydrophobicContact CB-CB 4.4Å; A332-F360 VanDerWaalsContact O-CA 3.24Å; A332-F360 WeakPolarHBondContact O-CA 3.42Å; P333-F360 HydrophobicContact CB-CD1 4.48Å; P333-F360 HydrophobicContact CB-CE1 4.47Å; P333-F360 HydrophobicContact CG-CD1 4.45Å; P333-F360 HydrophobicContact CG-CE1 4.35Å; C358-F360 HydrophobicContact CB-CE2 3.75Å; C358-F360 HydrophobicContact CB-CZ 3.84Å
361	T	94.8	Very high	94.6	Very high	45 Å²	45	21.9 Å²	21.9	28%	0.276	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.7	176.2	50.3	0	0	0	0	110	K114 L331 A332 D334	K114-T361 HydrophobicContact CD-CG2 3.91Å; K114-T361 HydrophobicContact CG-CG2 3.78Å; L331-T361 WeakPolarHBondContact CA-O 3.15Å; A332-T361 PolarHBondContact N-O 3.27Å; A332-T361 PolarHBondContact O-N 3.36Å; D334-T361 HydrophobicContact CB-CG2 3.84Å
362	A	86.9	Confident	94.3	Very high	47 Å²	47	23.7 Å²	23.7	39%	0.388	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.4	165.5	0	0	0	0	0	109	P329 L331	P329-A362 HydrophobicContact CB-CB 4.05Å; L331-A362 HydrophobicContact CD2-CB 4.01Å
363	G	63.9	Low	93.9	Very high	113 Å²	113	24.6 Å²	24.6	100%	1.165	19%	0.192	S	C	*	.			trans	-84.1	0	171.1	0	0	0	0	0	113.5	R330	R330-G363 PolarHBondContact O-N 3.29Å

Retrieved 363 of 363 residues in 875.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).