A0A096NMX1_PAPAN Loading...

Transmembrane p24 trafficking protein 3

AlphaFold DB (A0A096NMX0), UniProt , Accession A0A096NMX1, Species PAPAN (Papio anubis, Olive baboon), Gene TMED3, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	66.1	Low	245 Å²	245	106.3 Å²	106.3	100%	1.207	72%	0.723	S	S	*	*				0	94.9	0	-71.9	127.5	75.9	0	0	107.9
2	G	43.1	Very low	67.8	Low	85 Å²	85	105.9 Å²	105.9	88%	0.876	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-78.8	122	-179.5	0	0	0	0	0	110.2
3	S	50.2	Low	69.2	Low	124 Å²	124	107.5 Å²	107.5	87%	0.867	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.6	123.2	176.1	-171	0	0	0	0	109.2	A5	S3-A5 PolarHBondContact O-N 2.87Å
4	A	56.4	Low	70.5	Confident	96 Å²	96	107.5 Å²	107.5	79%	0.793	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-71.7	120.4	175.3	0	0	0	0	0	109.4
5	A	64	Low	71.5	Confident	85 Å²	85	106.1 Å²	106.1	70%	0.702	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-66.4	144.5	175.2	0	0	0	0	0	110.9	S3 L7	S3-A5 PolarHBondContact O-N 2.87Å; A5-L7 PolarHBondContact O-N 2.84Å
6	P	68.6	Low	72.2	Confident	130 Å²	130	105.8 Å²	105.8	84%	0.844	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.9	124.1	179.1	27.3	-32.4	0	0	0	110.1	S8	P6-S8 PolarHBondContact O-N 2.79Å
7	L	68.6	Low	72.7	Confident	121 Å²	121	105.5 Å²	105.5	63%	0.634	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-63.3	129.8	174.1	-77.9	143.3	0	0	0	109.8	A5 V11	A5-L7 PolarHBondContact O-N 2.84Å; L7-V11 HydrophobicContact CD2-CB 4.41Å; L7-V11 HydrophobicContact CD2-CG1 3.74Å
8	S	82.6	Confident	73.1	Confident	65 Å²	65	105.3 Å²	105.3	46%	0.455	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-58.1	142.6	177	172.7	0	0	0	0	111.5	P6 S10 V11 L12	P6-S8 PolarHBondContact O-N 2.79Å; S8-S10 PolarHBondContact O-N 2.88Å; S8-S10 VanDerWaalsContact O-N 3.08Å; S8-S10 PolarHBondContact OG-N 2.68Å; S8-S10 PolarHBondContact OG-OG 2.88Å; S8-V11 WeakPolarHBondContact O-CA 3.25Å; S8-V11 WeakPolarHBondContact O-CB 3.4Å; S8-V11 PolarHBondContact O-N 2.99Å; S8-L12 PolarHBondContact O-N 3.04Å; S8-L12 VanDerWaalsContact O-N 3.16Å
9	A	82.1	Confident	73.3	Confident	81 Å²	81	106.4 Å²	106.4	67%	0.669	65%	0.653	S	S	*	*	H	α-helix	trans	-53.4	-31.7	177.5	0	0	0	0	0	112.9	L12 L13	A9-L12 PolarHBondContact O-N 2.81Å; A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 PolarHBondContact O-N 2.77Å
10	S	80.3	Confident	73.3	Confident	77 Å²	77	107.6 Å²	107.6	54%	0.538	66%	0.655	S	S	.	*	H	α-helix	trans	-66.1	-35.6	174.3	49.8	0	0	0	0	113.3	S8 L14	S8-S10 PolarHBondContact O-N 2.88Å; S8-S10 VanDerWaalsContact O-N 3.08Å; S8-S10 PolarHBondContact OG-N 2.68Å; S8-S10 PolarHBondContact OG-OG 2.88Å; S10-L14 WeakPolarHBondContact O-CB 3.39Å; S10-L14 PolarHBondContact O-N 2.83Å
11	V	86.6	Confident	72.9	Confident	60 Å²	60	108.2 Å²	108.2	36%	0.364	65%	0.654	S	S	.	*	H	α-helix	trans	-72.4	-38.4	176.5	-179.9	0	0	0	0	110.3	L7 S8 L14 L15	L7-V11 HydrophobicContact CD2-CB 4.41Å; L7-V11 HydrophobicContact CD2-CG1 3.74Å; S8-V11 WeakPolarHBondContact O-CA 3.25Å; S8-V11 WeakPolarHBondContact O-CB 3.4Å; S8-V11 PolarHBondContact O-N 2.99Å; V11-L14 PolarHBondContact O-N 2.9Å; V11-L15 HydrophobicContact CG1-CD1 3.98Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.3Å; V11-L15 PolarHBondContact O-N 3Å
12	L	86.7	Confident	73.9	Confident	102 Å²	102	106.8 Å²	106.8	53%	0.534	64%	0.635	S	S	.	*	H	α-helix	trans	-64.3	-42.2	174.7	-117.2	140.8	0	0	0	111.9	S8 A9 L15 L16	S8-L12 PolarHBondContact O-N 3.04Å; S8-L12 VanDerWaalsContact O-N 3.16Å; A9-L12 PolarHBondContact O-N 2.81Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 3.02Å
13	L	86.5	Confident	74.7	Confident	126 Å²	126	106.6 Å²	106.6	66%	0.66	63%	0.625	S	S	*	*	H	α-helix	trans	-66	-40.4	175.9	-156	84	0	0	0	111.7	A9 L16 L17	A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 PolarHBondContact O-N 2.77Å; L13-L16 PolarHBondContact O-N 3.21Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.25Å
14	L	86.8	Confident	75.2	Confident	108 Å²	108	109.5 Å²	109.5	57%	0.565	63%	0.625	S	S	*	*	H	α-helix	trans	-66.1	-41.1	176.7	-155.4	91.2	0	0	0	111.7	S10 V11 L17 L18	S10-L14 WeakPolarHBondContact O-CB 3.39Å; S10-L14 PolarHBondContact O-N 2.83Å; V11-L14 PolarHBondContact O-N 2.9Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-L18 HydrophobicContact CD2-CD1 4.34Å; L14-L18 HydrophobicContact CG-CD1 4.42Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CD1 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.44Å; L14-L18 PolarHBondContact O-N 3.15Å
15	L	85.3	Confident	75.1	Confident	86 Å²	86	113.3 Å²	113.3	45%	0.45	63%	0.627	S	S	.	*	H	α-helix	trans	-64.3	-42.2	174.6	-79.3	163.9	0	0	0	111.6	V11 L12 L18 L19	V11-L15 HydrophobicContact CG1-CD1 3.98Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.3Å; V11-L15 PolarHBondContact O-N 3Å; L12-L15 PolarHBondContact O-N 3.29Å; L15-L18 PolarHBondContact O-N 2.76Å; L15-L19 WeakPolarHBondContact O-CB 3.14Å; L15-L19 WeakPolarHBondContact O-CD1 3.39Å; L15-L19 PolarHBondContact O-N 2.88Å
16	L	82.8	Confident	74.7	Confident	101 Å²	101	114.9 Å²	114.9	53%	0.529	63%	0.629	S	S	.	*	H	α-helix	trans	-63.8	-41.6	175.5	-154.4	93.3	0	0	0	111.2	L12 L13 L19 L20	L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.21Å; L16-L19 WeakPolarHBondContact O-CB 3.38Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.2Å; L16-L20 PolarHBondContact O-N 3.35Å
17	L	81.5	Confident	74.3	Confident	101 Å²	101	120.1 Å²	120.1	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-64	-42.9	175.9	-157.2	85.7	0	0	0	111.3	L13 L14 L19 L20 L21	L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.25Å; L14-L17 PolarHBondContact O-N 3.4Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.86Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-L21 HydrophobicContact CD2-CD1 4.07Å; L17-L21 HydrophobicContact CG-CD1 3.99Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 WeakPolarHBondContact O-CD1 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 2.88Å
18	L	80.1	Confident	73.9	Confident	102 Å²	102	117.7 Å²	117.7	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-64.9	-34	175.4	-77.6	161.6	0	0	0	112.7	L14 L15 R22	L14-L18 HydrophobicContact CD2-CD1 4.34Å; L14-L18 HydrophobicContact CG-CD1 4.42Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CD1 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.44Å; L14-L18 PolarHBondContact O-N 3.15Å; L15-L18 PolarHBondContact O-N 2.76Å; L18-R22 PolarHBondContact O-N 2.86Å
19	L	76.8	Confident	73.8	Confident	126 Å²	126	116.5 Å²	116.5	66%	0.66	63%	0.631	S	S	*	*	H	α-helix	trans	-68.2	-40.5	172	-100.5	135.9	0	0	0	111.9	L15 L16 L17 L21 R22	L15-L19 WeakPolarHBondContact O-CB 3.14Å; L15-L19 WeakPolarHBondContact O-CD1 3.39Å; L15-L19 PolarHBondContact O-N 2.88Å; L16-L19 WeakPolarHBondContact O-CB 3.38Å; L16-L19 PolarHBondContact O-N 3.39Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.86Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-R22 PolarHBondContact O-N 3.37Å
20	L	73.5	Confident	74.1	Confident	130 Å²	130	117.3 Å²	117.3	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-72	-28	175.4	-68.7	168.4	0	0	0	112.6	L16 L17 R22	L16-L20 HydrophobicContact CD2-CD1 4.44Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.2Å; L16-L20 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 2.84Å; L20-R22 VanDerWaalsContact C-N 3.3Å
21	L	64.4	Low	74.7	Confident	121 Å²	121	117.3 Å²	117.3	63%	0.634	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-6.9	175.1	-85.7	153.2	0	0	0	113.6	L17 L19 A23	L17-L21 HydrophobicContact CD2-CD1 4.07Å; L17-L21 HydrophobicContact CG-CD1 3.99Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 WeakPolarHBondContact O-CD1 3.42Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 2.88Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 2.77Å
22	R	64.6	Low	75.2	Confident	215 Å²	215	117.9 Å²	117.9	81%	0.811	62%	0.618	S	S	*	*			trans	-72.6	55.7	158.4	-71.7	-163.6	177.8	-171.7	0	109.8	L18 L19 L20 E24	L18-R22 PolarHBondContact O-N 2.86Å; L19-R22 PolarHBondContact O-N 3.37Å; L20-R22 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 2.78Å
23	A	60	Low	75.6	Confident	82 Å²	82	114.2 Å²	114.2	68%	0.678	60%	0.598	S	S	*	*			trans	-59.5	110.4	158.8	0	0	0	0	0	105.4	L21 Q25	L21-A23 PolarHBondContact O-N 2.77Å; A23-Q25 PolarHBondContact O-N 3Å; A23-Q25 VanDerWaalsContact O-N 3.11Å
24	E	61.3	Low	76.1	Confident	185 Å²	185	114.9 Å²	114.9	86%	0.864	60%	0.598	S	S	*	*			trans	-53.5	122.7	163	-71.6	-141.9	133.3	0	0	106.6	R22 P26	R22-E24 PolarHBondContact O-N 2.78Å; E24-P26 WeakPolarHBondContact O-CD 3.47Å
25	Q	55.1	Low	76.6	Confident	176 Å²	176	109.8 Å²	109.8	82%	0.822	57%	0.571	S	S	*	*			trans	-63	113.6	175.8	-172	159.6	-14.8	0	0	106.1	A23 R27	A23-Q25 PolarHBondContact O-N 3Å; A23-Q25 VanDerWaalsContact O-N 3.11Å; Q25-R27 PolarHBondContact O-N 2.85Å
26	P	55	Low	77.2	Confident	117 Å²	117	108.9 Å²	108.9	76%	0.76	57%	0.57	S	S	*	*			trans	-62.8	115.7	177.7	25	-30.3	0	0	0	106.5	E24 G28	E24-P26 WeakPolarHBondContact O-CD 3.47Å; P26-G28 VanDerWaalsContact C-N 3.32Å; P26-G28 PolarHBondContact O-N 3.37Å
27	R	59	Low	77.8	Confident	240 Å²	240	107.9 Å²	107.9	91%	0.906	57%	0.565	S	S	*	*			trans	-72	98	164.3	-70.3	-172.8	175.5	157.9	-3	105.6	Q25 A29	Q25-R27 PolarHBondContact O-N 2.85Å; R27-A29 PolarHBondContact O-N 2.87Å
28	G	60.7	Low	78.4	Confident	70 Å²	70	108.1 Å²	108.1	72%	0.722	57%	0.567	S	S	*	*			trans	-73	104.3	171.5	0	0	0	0	0	108.4	P26 E30	P26-G28 VanDerWaalsContact C-N 3.32Å; P26-G28 PolarHBondContact O-N 3.37Å; G28-E30 VanDerWaalsContact C-N 3.3Å
29	A	79.9	Confident	79.2	Confident	41 Å²	41	104.5 Å²	104.5	34%	0.339	55%	0.552	S	S	.	*			trans	-79.9	-18.4	168.8	0	0	0	0	0	111.8	R27 D119 F120	R27-A29 PolarHBondContact O-N 2.87Å; A29-D119 WeakPolarHBondContact O-CA 3.44Å; A29-F120 WeakPolarHBondContact CB-O 3.49Å; A29-F120 PolarHBondContact O-N 2.76Å
30	E	90.3	Very high	80.2	Confident	98 Å²	98	103.8 Å²	103.8	46%	0.458	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.3	-175.6	-59.3	-179.2	-151.6	0	0	111.9	G28 Y117 F118 D119	G28-E30 VanDerWaalsContact C-N 3.3Å; E30-Y117 HydrophobicContact CB-CE2 4.08Å; E30-Y117 PolarHBondContact OE2-OH 3.23Å; E30-F118 VanDerWaalsContact CA-O 3.31Å; E30-F118 WeakPolarHBondContact CA-O 3.43Å; E30-D119 HydrophobicContact CG-CB 3.83Å; E30-D119 WeakPolarHBondContact CG-OD1 3.48Å
31	L	93.1	Very high	81.3	Confident	77 Å²	77	101.8 Å²	101.8	40%	0.403	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	135.3	175.4	179.1	65.3	0	0	0	111.8	F33 F43 Y117 F118	L31-F33 HydrophobicContact CD2-CB 4.45Å; L31-F33 HydrophobicContact CG-CB 4.43Å; L31-F43 HydrophobicContact CD2-CE1 3.68Å; L31-F43 HydrophobicContact CD2-CZ 4.02Å; L31-Y117 WeakPolarHBondContact O-CA 3.34Å; L31-F118 HydrophobicContact CB-CD1 4.38Å; L31-F118 HydrophobicContact CB-CE1 3.7Å; L31-F118 HydrophobicContact CB-CE2 4.38Å; L31-F118 HydrophobicContact CB-CZ 3.7Å; L31-F118 HydrophobicContact CD2-CE1 3.97Å; L31-F118 HydrophobicContact CD2-CZ 4.1Å; L31-F118 HydrophobicContact CG-CE1 4.17Å; L31-F118 HydrophobicContact CG-CZ 4.44Å; L31-F118 PolarHBondContact N-O 2.9Å; L31-F118 PolarHBondContact O-N 3.45Å
32	T	95.3	Very high	82.9	Confident	72 Å²	72	97.5 Å²	97.5	44%	0.442	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.5	164	-52.3	0	0	0	0	109.2	I60 T115 V116 Y117	T32-I60 HydrophobicContact CG2-CD1 3.8Å; T32-T115 HydrophobicContact CG2-CG2 3.55Å; T32-V116 WeakPolarHBondContact CA-O 3.31Å; T32-Y117 WeakPolarHBondContact OG1-CD2 3.29Å
33	F	96.4	Very high	84.4	Confident	24 Å²	24	89.1 Å²	89.1	11%	0.105	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.1	179.9	75	-79.2	0	0	0	112.2	L31 L35 Q41 F43 F104 T115 V116 F118	L31-F33 HydrophobicContact CD2-CB 4.45Å; L31-F33 HydrophobicContact CG-CB 4.43Å; F33-L35 HydrophobicContact CD2-CB 4.45Å; F33-L35 HydrophobicContact CE2-CB 3.81Å; F33-L35 HydrophobicContact CE2-CD1 4.19Å; F33-L35 HydrophobicContact CE2-CG 4.43Å; F33-Q41 HydrophobicContact CD2-CB 4.43Å; F33-Q41 HydrophobicContact CD2-CG 4.23Å; F33-Q41 HydrophobicContact CE2-CB 3.67Å; F33-Q41 HydrophobicContact CE2-CG 3.88Å; F33-Q41 HydrophobicContact CZ-CB 4.27Å; F33-Q41 HydrophobicContact CZ-CG 4.5Å; F33-F43 HydrophobicContact CD1-CE2 4.16Å; F33-F43 AromaticContact CD1-CZ 3.94Å; F33-F43 HydrophobicContact CD1-CZ 3.94Å; F33-F43 HydrophobicContact CD2-CZ 4.36Å; F33-F43 AromaticContact CE1-CE2 3.75Å; F33-F43 HydrophobicContact CE1-CE2 3.75Å; F33-F43 HydrophobicContact CE1-CZ 4.01Å; F33-F43 HydrophobicContact CE2-CE2 4.34Å; F33-F43 HydrophobicContact CE2-CZ 4.42Å; F33-F43 HydrophobicContact CG-CZ 4.13Å; F33-F43 AromaticContact CZ-CE2 3.86Å; F33-F43 HydrophobicContact CZ-CE2 3.86Å; F33-F43 HydrophobicContact CZ-CZ 4.26Å; F33-F104 AromaticContact CE1-CD2 3.91Å; F33-F104 HydrophobicContact CE1-CD2 3.91Å; F33-F104 HydrophobicContact CE1-CE2 4.26Å; F33-F104 HydrophobicContact CZ-CB 4.03Å; F33-F104 AromaticContact CZ-CD2 3.72Å; F33-F104 HydrophobicContact CZ-CD2 3.72Å; F33-F104 HydrophobicContact CZ-CG 4.07Å; F33-T115 WeakPolarHBondContact O-CA 3.12Å; F33-V116 HydrophobicContact CD1-CB 4.38Å; F33-V116 WeakPolarHBondContact CD1-O 3.37Å; F33-V116 HydrophobicContact CE1-CB 3.78Å; F33-V116 HydrophobicContact CE1-CG1 4.07Å; F33-V116 HydrophobicContact CZ-CB 4.02Å; F33-V116 HydrophobicContact CZ-CG1 4.46Å; F33-V116 PolarHBondContact N-O 3.41Å; F33-V116 PolarHBondContact O-N 3.49Å; F33-F118 AromaticContact CD1-CD1 4Å; F33-F118 HydrophobicContact CD1-CD1 4Å; F33-F118 AromaticContact CD1-CE1 3.95Å; F33-F118 HydrophobicContact CD1-CE1 3.95Å; F33-F118 AromaticContact CE1-CD1 3.79Å; F33-F118 HydrophobicContact CE1-CD1 3.79Å; F33-F118 AromaticContact CE1-CE1 3.98Å; F33-F118 HydrophobicContact CE1-CE1 3.98Å
34	E	96.8	Very high	86.1	Confident	141 Å²	141	90.1 Å²	90.1	66%	0.659	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.9	171.6	-66.6	-175.6	175	0	0	109.9	K114	E34-K114 CarbonylContact C-O 3.49Å; E34-K114 WeakPolarHBondContact CA-O 3.29Å
35	L	97.6	Very high	87.7	Confident	1 Å²	1	85.4 Å²	85.4	1%	0.005	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.1	176	-177.7	58	0	0	0	108.6	F33 Q41 V67 F104 N106 H113 K114	F33-L35 HydrophobicContact CD2-CB 4.45Å; F33-L35 HydrophobicContact CE2-CB 3.81Å; F33-L35 HydrophobicContact CE2-CD1 4.19Å; F33-L35 HydrophobicContact CE2-CG 4.43Å; L35-Q41 HydrophobicContact CD1-CB 3.88Å; L35-V67 HydrophobicContact CD2-CG2 3.8Å; L35-F104 HydrophobicContact CD2-CB 3.98Å; L35-N106 HydrophobicContact CD2-CB 3.62Å; L35-N106 HydrophobicContact CG-CB 3.69Å; L35-H113 WeakPolarHBondContact O-CA 3.09Å; L35-K114 HydrophobicContact CB-CB 4.44Å; L35-K114 PolarHBondContact N-O 3.19Å; L35-K114 PolarHBondContact O-N 2.04Å
36	P	96.9	Very high	89.6	Confident	67 Å²	67	82.7 Å²	82.7	44%	0.435	44%	0.436	S	S	.	.			trans	-60.5	165.7	-178.5	-24	34.1	0	0	0	113.5	A39 N106	P36-A39 HydrophobicContact CB-CB 3.86Å; P36-A39 HydrophobicContact CG-CB 4.27Å; P36-N106 PolarHBondContact O-ND2 2.94Å
37	D	95.2	Very high	91.4	Very high	79 Å²	79	77.1 Å²	77.1	42%	0.422	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	144.9	167.9	56.3	-60	0	0	0	111	A39 S109	D37-A39 PolarHBondContact O-N 2.84Å; D37-A39 VanDerWaalsContact O-N 3.09Å; D37-S109 WeakPolarHBondContact CB-O 3.32Å
38	N	94.9	Very high	93.1	Very high	107 Å²	107	70.2 Å²	70.2	57%	0.572	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	31.7	-178.2	-161.9	16.7	0	0	0	114.6	N106 E107 S109	N38-N106 PolarHBondContact N-O 2.85Å; N38-E107 PolarHBondContact OD1-O 3.26Å; N38-S109 PolarHBondContact N-O 3.03Å
39	A	96.5	Very high	94.8	Very high	26 Å²	26	73.3 Å²	73.3	22%	0.215	37%	0.373	C	S	.	.			trans	-128	160.1	-175.5	0	0	0	0	0	112.1	P36 D37 N106	P36-A39 HydrophobicContact CB-CB 3.86Å; P36-A39 HydrophobicContact CG-CB 4.27Å; D37-A39 PolarHBondContact O-N 2.84Å; D37-A39 VanDerWaalsContact O-N 3.09Å; A39-N106 CarbonylContact O-C 3.48Å; A39-N106 WeakPolarHBondContact O-CA 3.08Å; A39-N106 PolarHBondContact O-N 2.67Å
40	K	97	Very high	95.4	Very high	110 Å²	110	72.7 Å²	72.7	48%	0.478	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145	170.3	69.7	-179.1	-179.9	-174.1	0	110.2	F104	K40-F104 CarbonylContact C-O 3.54Å; K40-F104 VanDerWaalsContact CA-O 3.28Å; K40-F104 WeakPolarHBondContact CA-O 3.42Å
41	Q	97.8	Very high	95.6	Very high	88 Å²	88	70.1 Å²	70.1	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.3	176	-172.3	62.4	37.8	0	0	109.1	F33 L35 F43 C103 F104	F33-Q41 HydrophobicContact CD2-CB 4.43Å; F33-Q41 HydrophobicContact CD2-CG 4.23Å; F33-Q41 HydrophobicContact CE2-CB 3.67Å; F33-Q41 HydrophobicContact CE2-CG 3.88Å; F33-Q41 HydrophobicContact CZ-CB 4.27Å; F33-Q41 HydrophobicContact CZ-CG 4.5Å; L35-Q41 HydrophobicContact CD1-CB 3.88Å; Q41-F43 HydrophobicContact CB-CE2 4.42Å; Q41-F43 HydrophobicContact CG-CE1 4.44Å; Q41-F43 HydrophobicContact CG-CE2 3.69Å; Q41-F43 HydrophobicContact CG-CZ 3.63Å; Q41-C103 CarbonylContact O-C 3.48Å; Q41-C103 WeakPolarHBondContact O-CA 3.26Å; Q41-F104 PolarHBondContact N-O 3.07Å; Q41-F104 PolarHBondContact O-N 2.75Å
42	C	97.5	Very high	95.7	Very high	31 Å²	31	71.5 Å²	71.5	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.1	179.1	-62.7	0	0	0	0	110.6	Q101 F102 C103	C42-Q101 HydrophobicContact CB-CG 4.21Å; C42-F102 WeakPolarHBondContact CA-O 3.32Å; C42-C103 HydrophobicContact CB-CB 4.09Å; C42-C103 WeakPolarHBondContact CB-SG 3.27Å; C42-C103 WeakPolarHBondContact SG-CB 3.31Å; C42-C103 CovalentContact SG-SG 2.04Å; C42-C103 PolarHBondContact SG-SG 2.88Å
43	F	96.9	Very high	95.6	Very high	39 Å²	39	68.2 Å²	68.2	17%	0.171	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.4	177.5	-58.9	-87	0	0	0	109	L31 F33 Q41 Q101 F102 F104 F118	L31-F43 HydrophobicContact CD2-CE1 3.68Å; L31-F43 HydrophobicContact CD2-CZ 4.02Å; F33-F43 HydrophobicContact CD1-CE2 4.16Å; F33-F43 AromaticContact CD1-CZ 3.94Å; F33-F43 HydrophobicContact CD1-CZ 3.94Å; F33-F43 HydrophobicContact CD2-CZ 4.36Å; F33-F43 AromaticContact CE1-CE2 3.75Å; F33-F43 HydrophobicContact CE1-CE2 3.75Å; F33-F43 HydrophobicContact CE1-CZ 4.01Å; F33-F43 HydrophobicContact CE2-CE2 4.34Å; F33-F43 HydrophobicContact CE2-CZ 4.42Å; F33-F43 HydrophobicContact CG-CZ 4.13Å; F33-F43 AromaticContact CZ-CE2 3.86Å; F33-F43 HydrophobicContact CZ-CE2 3.86Å; F33-F43 HydrophobicContact CZ-CZ 4.26Å; Q41-F43 HydrophobicContact CB-CE2 4.42Å; Q41-F43 HydrophobicContact CG-CE1 4.44Å; Q41-F43 HydrophobicContact CG-CE2 3.69Å; Q41-F43 HydrophobicContact CG-CZ 3.63Å; F43-Q101 WeakPolarHBondContact O-CA 3.08Å; F43-F102 HydrophobicContact CB-CD1 4.28Å; F43-F102 HydrophobicContact CB-CD2 4.01Å; F43-F102 HydrophobicContact CB-CE1 3.74Å; F43-F102 HydrophobicContact CB-CE2 3.45Å; F43-F102 VanDerWaalsContact CB-CE2 3.45Å; F43-F102 HydrophobicContact CB-CG 4.4Å; F43-F102 HydrophobicContact CB-CZ 3.3Å; F43-F102 HydrophobicContact CD2-CD2 4.26Å; F43-F102 AromaticContact CD2-CE2 3.85Å; F43-F102 HydrophobicContact CD2-CE2 3.85Å; F43-F102 AromaticContact CG-CE2 3.91Å; F43-F102 HydrophobicContact CG-CE2 3.91Å; F43-F102 HydrophobicContact CG-CZ 4.12Å; F43-F102 PolarHBondContact N-O 2.77Å; F43-F102 PolarHBondContact O-N 2.84Å; F43-F104 HydrophobicContact CD2-CD2 4.3Å; F43-F104 HydrophobicContact CD2-CE2 4.35Å; F43-F104 HydrophobicContact CE2-CD2 4.13Å; F43-F104 HydrophobicContact CE2-CE2 4.39Å; F43-F118 HydrophobicContact CD1-CE1 4.31Å; F43-F118 AromaticContact CD1-CZ 3.99Å; F43-F118 HydrophobicContact CD1-CZ 3.99Å; F43-F118 AromaticContact CD2-CE1 3.87Å; F43-F118 HydrophobicContact CD2-CE1 3.87Å; F43-F118 HydrophobicContact CD2-CZ 4.03Å; F43-F118 HydrophobicContact CE1-CE1 4.03Å; F43-F118 HydrophobicContact CE1-CZ 4.09Å; F43-F118 HydrophobicContact CE2-CD1 4.35Å; F43-F118 AromaticContact CE2-CE1 3.56Å; F43-F118 HydrophobicContact CE2-CE1 3.56Å; F43-F118 HydrophobicContact CE2-CZ 4.13Å; F43-F118 HydrophobicContact CG-CE1 4.24Å; F43-F118 AromaticContact CG-CZ 3.96Å; F43-F118 HydrophobicContact CG-CZ 3.96Å; F43-F118 AromaticContact CZ-CE1 3.65Å; F43-F118 HydrophobicContact CZ-CE1 3.65Å; F43-F118 HydrophobicContact CZ-CZ 4.16Å
44	H	95.8	Very high	95.6	Very high	103 Å²	103	68.3 Å²	68.3	48%	0.477	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.5	-169.3	-63.1	91.2	0	0	0	109.5	V99 Y100 Q101	H44-V99 HydrophobicContact CB-CG1 3.67Å; H44-Y100 WeakPolarHBondContact CA-O 3.03Å; H44-Q101 WeakPolarHBondContact NE2-CG 3.46Å; H44-Q101 PolarHBondContact NE2-OE1 2.72Å
45	E	94.1	Very high	95.5	Very high	87 Å²	87	61.6 Å²	61.6	41%	0.407	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138	177	-167.8	64.8	-166.6	0	0	110.2	V99 Y100 F102 F120 V122	E45-V99 WeakPolarHBondContact O-CA 3.31Å; E45-Y100 PolarHBondContact N-O 2.85Å; E45-Y100 PolarHBondContact O-N 2.89Å; E45-F102 HydrophobicContact CB-CE1 4.47Å; E45-F120 HydrophobicContact CB-CD1 3.85Å; E45-F120 HydrophobicContact CB-CE1 3.52Å; E45-F120 HydrophobicContact CB-CZ 4.32Å; E45-F120 HydrophobicContact CG-CD1 3.81Å; E45-F120 HydrophobicContact CG-CE1 3.64Å; E45-V122 HydrophobicContact CG-CG2 3.74Å
46	E	94.2	Very high	95.4	Very high	119 Å²	119	63.9 Å²	63.9	56%	0.556	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.9	177.5	-170.8	173.6	-176.9	0	0	110.4
47	V	94.6	Very high	95.4	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134	-178.8	-172.9	0	0	0	0	110.2	V51 F53 A94 K97 G98 Y100 F120 V122	V47-V51 HydrophobicContact CG1-CB 4.22Å; V47-V51 HydrophobicContact CG1-CG1 4.47Å; V47-F53 HydrophobicContact CG1-CD1 4.11Å; V47-F53 HydrophobicContact CG2-CD1 4.3Å; V47-A94 HydrophobicContact CB-CB 4.44Å; V47-A94 HydrophobicContact CG1-CB 3.67Å; V47-K97 WeakPolarHBondContact O-CA 3.41Å; V47-G98 PolarHBondContact N-O 2.92Å; V47-G98 PolarHBondContact O-N 3.05Å; V47-Y100 HydrophobicContact CB-CD2 3.71Å; V47-Y100 HydrophobicContact CB-CE2 3.9Å; V47-Y100 HydrophobicContact CG2-CD2 3.8Å; V47-Y100 HydrophobicContact CG2-CE2 4.44Å; V47-Y100 HydrophobicContact CG2-CG 4.43Å; V47-F120 HydrophobicContact CG2-CE1 4.39Å; V47-V122 HydrophobicContact CB-CG1 4.47Å; V47-V122 HydrophobicContact CG1-CG1 4.02Å; V47-V122 HydrophobicContact CG2-CG1 4.14Å; V47-V122 HydrophobicContact CG2-CG2 4.01Å
48	E	94.9	Very high	95.5	Very high	94 Å²	94	58.4 Å²	58.4	44%	0.439	30%	0.295	S	S	.	.			trans	-76.2	150.2	175.6	-66.9	-68.5	170	0	0	111.8	G50 V51 K97	E48-G50 PolarHBondContact O-N 2.89Å; E48-V51 HydrophobicContact CB-CB 4.5Å; E48-V51 HydrophobicContact CB-CG2 3.74Å; E48-V51 WeakPolarHBondContact O-CB 3.39Å; E48-V51 PolarHBondContact O-N 3.01Å; E48-K97 IonicContact OE1-NZ 2.68Å; E48-K97 PolarHBondContact OE1-NZ 3.39Å; E48-K97 WeakPolarHBondContact OE2-CD 3.39Å; E48-K97 VanDerWaalsContact OE2-CE 3.3Å; E48-K97 WeakPolarHBondContact OE2-CE 3.45Å; E48-K97 IonicContact OE2-NZ 2.83Å; E48-K97 PolarHBondContact OE2-NZ 3.11Å
49	Q	95.4	Very high	95.6	Very high	135 Å²	135	53.4 Å²	53.4	63%	0.631	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	133.8	179.1	-174.7	175.8	31	0	0	111.4	V51 E95 K97	Q49-V51 PolarHBondContact O-N 3.28Å; Q49-E95 WeakPolarHBondContact CG-O 3.38Å; Q49-E95 PolarHBondContact NE2-O 3.41Å; Q49-K97 HydrophobicContact CB-CB 4.1Å
50	G	93.1	Very high	95.6	Very high	28 Å²	28	53 Å²	53	29%	0.289	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-3.6	178	0	0	0	0	0	114.6	E48 R93 A94	E48-G50 PolarHBondContact O-N 2.89Å; G50-R93 PolarHBondContact O-NE 3.1Å; G50-R93 PolarHBondContact O-NH2 3.11Å; G50-A94 WeakPolarHBondContact CA-O 3.41Å; G50-A94 PolarHBondContact N-O 2.97Å
51	V	94	Very high	95.5	Very high	44 Å²	44	49.4 Å²	49.4	27%	0.267	25%	0.249	S	C	.	.			trans	-80.5	140.5	174.9	179.4	0	0	0	0	109.9	V47 E48 Q49 A94 V122 G123	V47-V51 HydrophobicContact CG1-CB 4.22Å; V47-V51 HydrophobicContact CG1-CG1 4.47Å; E48-V51 HydrophobicContact CB-CB 4.5Å; E48-V51 HydrophobicContact CB-CG2 3.74Å; E48-V51 WeakPolarHBondContact O-CB 3.39Å; E48-V51 PolarHBondContact O-N 3.01Å; Q49-V51 PolarHBondContact O-N 3.28Å; V51-A94 WeakPolarHBondContact O-CB 2.77Å; V51-A94 PolarHBondContact O-N 3.03Å; V51-V122 HydrophobicContact CG1-CG1 4.08Å; V51-G123 VanDerWaalsContact CG1-CA 3.41Å
52	K	94.5	Very high	95.2	Very high	107 Å²	107	46.1 Å²	46.1	47%	0.465	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.4	174	-66.4	-178.8	-178.5	174.1	0	109.9	Y92 R93 G123	K52-Y92 CarbonylContact C-O 3.51Å; K52-Y92 VanDerWaalsContact CA-O 3.32Å; K52-Y92 WeakPolarHBondContact CA-O 3Å; K52-R93 HydrophobicContact CG-CB 4.27Å; K52-R93 HydrophobicContact CG-CG 4.15Å; K52-G123 VanDerWaalsContact O-CA 3.32Å; K52-G123 WeakPolarHBondContact O-CA 3.38Å; K52-G123 PolarHBondContact O-N 3.03Å
53	F	94.7	Very high	94.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156	167.1	67.5	-95	0	0	0	110.2	V47 V71 I79 F90 T91 Y92 A94 Y100 F120 Q121 V122	V47-F53 HydrophobicContact CG1-CD1 4.11Å; V47-F53 HydrophobicContact CG2-CD1 4.3Å; F53-V71 HydrophobicContact CE2-CG1 4.5Å; F53-I79 HydrophobicContact CZ-CD1 3.8Å; F53-F90 HydrophobicContact CE2-CD1 4.46Å; F53-F90 HydrophobicContact CE2-CE1 4.13Å; F53-F90 HydrophobicContact CZ-CE1 4.44Å; F53-T91 WeakPolarHBondContact O-CA 3.14Å; F53-Y92 AromaticContact CE1-CD1 3.62Å; F53-Y92 HydrophobicContact CE1-CD1 3.62Å; F53-Y92 HydrophobicContact CE1-CG 4.42Å; F53-Y92 AromaticContact CZ-CD1 3.71Å; F53-Y92 HydrophobicContact CZ-CD1 3.71Å; F53-Y92 HydrophobicContact CZ-CG 4.27Å; F53-Y92 PolarHBondContact N-O 2.55Å; F53-Y92 PolarHBondContact O-N 3.29Å; F53-A94 HydrophobicContact CE1-CB 4.47Å; F53-Y100 AromaticContact CE1-CD1 3.93Å; F53-Y100 HydrophobicContact CE1-CD1 3.93Å; F53-Y100 AromaticContact CE1-CE1 3.87Å; F53-Y100 HydrophobicContact CE1-CE1 3.87Å; F53-Y100 HydrophobicContact CE1-CG 4.28Å; F53-Y100 AromaticContact CZ-CD1 3.83Å; F53-Y100 HydrophobicContact CZ-CD1 3.83Å; F53-Y100 HydrophobicContact CZ-CE1 4.06Å; F53-Y100 HydrophobicContact CZ-CG 4.4Å; F53-F120 HydrophobicContact CB-CE1 4.36Å; F53-F120 HydrophobicContact CB-CZ 4.16Å; F53-F120 HydrophobicContact CD2-CE1 4.42Å; F53-F120 AromaticContact CD2-CE2 3.6Å; F53-F120 HydrophobicContact CD2-CE2 3.6Å; F53-F120 AromaticContact CD2-CZ 3.46Å; F53-F120 HydrophobicContact CD2-CZ 3.46Å; F53-F120 VanDerWaalsContact CD2-CZ 3.46Å; F53-F120 AromaticContact CE2-CE2 3.95Å; F53-F120 HydrophobicContact CE2-CE2 3.95Å; F53-F120 AromaticContact CE2-CZ 3.98Å; F53-F120 HydrophobicContact CE2-CZ 3.98Å; F53-F120 HydrophobicContact CG-CE2 4.45Å; F53-F120 AromaticContact CG-CZ 3.89Å; F53-F120 HydrophobicContact CG-CZ 3.89Å; F53-Q121 CarbonylContact C-O 3.56Å; F53-Q121 WeakPolarHBondContact CA-O 3.35Å; F53-Q121 VanDerWaalsContact CB-O 3.29Å; F53-Q121 WeakPolarHBondContact CB-O 3.36Å; F53-V122 HydrophobicContact CB-CG2 4.31Å
54	S	94.8	Very high	94.6	Very high	26 Å²	26	51.9 Å²	51.9	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	176.4	-65.4	0	0	0	0	110.2	F90 T91 F120 Q121	S54-F90 CarbonylContact C-O 3.55Å; S54-F90 VanDerWaalsContact CA-O 3.27Å; S54-F90 WeakPolarHBondContact CA-O 3.44Å; S54-T91 PolarHBondContact OG-OG1 2.89Å; S54-F120 CarbonylContact O-C 3.47Å; S54-F120 WeakPolarHBondContact O-CA 3.49Å; S54-Q121 PolarHBondContact N-O 3.06Å; S54-Q121 PolarHBondContact O-N 2.95Å
55	L	96.3	Very high	94.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.8	169.7	172.7	64.4	0	0	0	108.4	Y57 V71 F90 F102 F104 F118 D119 F120	L55-Y57 HydrophobicContact CG-CD1 4.43Å; L55-V71 HydrophobicContact CD2-CG2 3.73Å; L55-F90 PolarHBondContact N-O 3.29Å; L55-F90 PolarHBondContact O-N 3.48Å; L55-F102 HydrophobicContact CD1-CD2 4.02Å; L55-F102 HydrophobicContact CD1-CE2 4.24Å; L55-F102 HydrophobicContact CD2-CB 4.07Å; L55-F102 HydrophobicContact CD2-CD2 4.39Å; L55-F102 HydrophobicContact CD2-CG 4.46Å; L55-F104 HydrophobicContact CD1-CZ 4.27Å; L55-F118 HydrophobicContact CD1-CB 4.23Å; L55-F118 HydrophobicContact CD1-CD2 4.42Å; L55-D119 WeakPolarHBondContact CA-O 3.35Å; L55-F120 HydrophobicContact CB-CD2 3.97Å; L55-F120 HydrophobicContact CB-CE2 4.32Å; L55-F120 HydrophobicContact CD1-CD2 4.01Å; L55-F120 HydrophobicContact CG-CD2 4.5Å
56	D	95.6	Very high	94.7	Very high	50 Å²	50	45.9 Å²	45.9	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.4	172.2	-67.7	-67.2	0	0	0	108.8	S89 F118 D119	D56-S89 WeakPolarHBondContact OD1-CA 3.3Å; D56-S89 WeakPolarHBondContact OD1-CB 3.41Å; D56-S89 PolarHBondContact OD1-OG 2.81Å; D56-F118 CarbonylContact O-C 3.59Å; D56-F118 WeakPolarHBondContact O-CA 3.34Å; D56-D119 HydrophobicContact CB-CB 4.38Å; D56-D119 PolarHBondContact N-O 2.82Å; D56-D119 PolarHBondContact O-N 3.46Å
57	Y	96.9	Very high	94.9	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.9	176.4	67.7	-87.4	0	0	0	112.9	L55 V67 C69 Y80 K85 Y87 D88 F104 Y117	L55-Y57 HydrophobicContact CG-CD1 4.43Å; Y57-V67 HydrophobicContact CD2-CG1 4.12Å; Y57-V67 HydrophobicContact CE2-CG1 3.87Å; Y57-C69 HydrophobicContact CE1-CB 3.95Å; Y57-C69 HydrophobicContact CE2-CB 4.3Å; Y57-Y80 HydrophobicContact CE1-CE1 4.31Å; Y57-Y80 PolarHBondContact OH-OH 3.12Å; Y57-K85 HydrophobicContact CE2-CB 4.26Å; Y57-K85 WeakPolarHBondContact OH-CB 3.46Å; Y57-Y87 VanDerWaalsContact O-CA 3.23Å; Y57-Y87 WeakPolarHBondContact O-CA 3.44Å; Y57-D88 HydrophobicContact CD1-CB 4.47Å; Y57-D88 HydrophobicContact CE1-CB 3.57Å; Y57-D88 HydrophobicContact CE2-CB 4.42Å; Y57-D88 PolarHBondContact N-O 3.21Å; Y57-D88 VanDerWaalsContact N-O 3.12Å; Y57-D88 PolarHBondContact O-N 3.07Å; Y57-D88 WeakPolarHBondContact OH-CB 3.14Å; Y57-F104 HydrophobicContact CD1-CE1 4.08Å; Y57-F104 AromaticContact CD2-CE1 3.96Å; Y57-F104 HydrophobicContact CD2-CE1 3.96Å; Y57-F104 AromaticContact CG-CE1 3.65Å; Y57-F104 HydrophobicContact CG-CE1 3.65Å; Y57-F104 HydrophobicContact CG-CZ 4.29Å; Y57-Y117 CarbonylContact C-O 3.59Å; Y57-Y117 VanDerWaalsContact CA-O 3.26Å; Y57-Y117 WeakPolarHBondContact CA-O 3.42Å; Y57-Y117 WeakPolarHBondContact CB-O 3.36Å
58	Q	97.2	Very high	95	Very high	24 Å²	24	42 Å²	42	11%	0.112	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.6	175.9	-174	167.8	6.3	0	0	111	I60 Y117	Q58-I60 PolarHBondContact O-N 2.86Å; Q58-Y117 PolarHBondContact N-O 3.06Å; Q58-Y117 PolarHBondContact O-N 3.06Å
59	V	96.8	Very high	95.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.9	172.5	-172.3	0	0	0	0	109	T61 Y65 V67 Q86 K114 V116	V59-T61 WeakPolarHBondContact CG1-O 3.37Å; V59-Y65 VanDerWaalsContact CB-O 3.24Å; V59-Y65 WeakPolarHBondContact CB-O 3.46Å; V59-Y65 WeakPolarHBondContact CG2-O 3.44Å; V59-V67 HydrophobicContact CG2-CB 3.95Å; V59-V67 HydrophobicContact CG2-CG1 3.71Å; V59-Q86 PolarHBondContact N-O 2.75Å; V59-K114 HydrophobicContact CG1-CB 4.4Å; V59-V116 HydrophobicContact CG2-CG2 4.4Å
60	I	95.8	Very high	95.3	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.092	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-45.2	-176.6	-53.9	-179.4	0	0	0	110.6	T32 Q58 Y65 T115 L165 A168 Q169	T32-I60 HydrophobicContact CG2-CD1 3.8Å; Q58-I60 PolarHBondContact O-N 2.86Å; I60-Y65 WeakPolarHBondContact O-CD1 3.37Å; I60-Y65 VanDerWaalsContact O-CE1 3.25Å; I60-Y65 WeakPolarHBondContact O-CE1 2.88Å; I60-T115 HydrophobicContact CB-CG2 4.44Å; I60-T115 HydrophobicContact CD1-CG2 4.36Å; I60-T115 PolarHBondContact N-O 3.09Å; I60-L165 HydrophobicContact CD1-CD2 4.17Å; I60-A168 HydrophobicContact CG2-CB 4.34Å; I60-Q169 HydrophobicContact CG2-CB 4.32Å; I60-Q169 WeakPolarHBondContact O-CG 3.38Å
61	T	94.8	Very high	95.6	Very high	34 Å²	34	31.1 Å²	31.1	21%	0.209	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.2	-176.3	68.3	0	0	0	0	112	V59 K114 T115 A172	V59-T61 WeakPolarHBondContact CG1-O 3.37Å; T61-K114 WeakPolarHBondContact O-CA 3.39Å; T61-T115 PolarHBondContact O-N 3.42Å; T61-T115 VanDerWaalsContact O-N 3.12Å; T61-T115 VanDerWaalsContact OG1-CB 3.23Å; T61-T115 WeakPolarHBondContact OG1-CB 3.39Å; T61-T115 PolarHBondContact OG1-OG1 2.89Å; T61-A172 HydrophobicContact CG2-CB 3.77Å
62	G	92	Very high	95.8	Very high	19 Å²	19	31.1 Å²	31.1	20%	0.196	17%	0.167	C	C	.	.	S	Bend	trans	104.5	125.3	170.9	0	0	0	0	0	114.9	H64 Y65 H113	G62-H64 PolarHBondContact O-N 3.19Å; G62-Y65 WeakPolarHBondContact O-CA 3.28Å; G62-Y65 PolarHBondContact O-N 2.75Å; G62-H113 VanDerWaalsContact CA-O 3.28Å; G62-H113 WeakPolarHBondContact CA-O 3.38Å
63	G	90.1	Very high	95.9	Very high	45 Å²	45	26.9 Å²	26.9	46%	0.464	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-127.6	174.5	0	0	0	0	0	113.5	Y65	G63-Y65 PolarHBondContact O-N 3.31Å
64	H	92.4	Very high	96	Very high	147 Å²	147	29.1 Å²	29.1	68%	0.681	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	16.7	176.3	-63.2	-62.4	0	0	0	113.9	G62 D66 Q86	G62-H64 PolarHBondContact O-N 3.19Å; H64-D66 PolarHBondContact O-N 3.09Å; H64-Q86 PolarHBondContact O-NE2 2.65Å; H64-Q86 VanDerWaalsContact O-NE2 3.09Å
65	Y	94.6	Very high	96.1	Very high	48 Å²	48	34.1 Å²	34.1	19%	0.188	18%	0.184	C	C	.	.	S	Bend	trans	56.8	31.6	-174.6	-53.7	-93.2	0	0	0	112.7	V59 I60 G62 G63 Q86 Q169	V59-Y65 VanDerWaalsContact CB-O 3.24Å; V59-Y65 WeakPolarHBondContact CB-O 3.46Å; V59-Y65 WeakPolarHBondContact CG2-O 3.44Å; I60-Y65 WeakPolarHBondContact O-CD1 3.37Å; I60-Y65 VanDerWaalsContact O-CE1 3.25Å; I60-Y65 WeakPolarHBondContact O-CE1 2.88Å; G62-Y65 WeakPolarHBondContact O-CA 3.28Å; G62-Y65 PolarHBondContact O-N 2.75Å; G63-Y65 PolarHBondContact O-N 3.31Å; Y65-Q86 WeakPolarHBondContact O-CA 3.49Å; Y65-Q86 WeakPolarHBondContact O-CB 3.35Å; Y65-Q86 WeakPolarHBondContact O-CG 3.27Å; Y65-Q169 HydrophobicContact CE1-CG 4.3Å
66	D	96.5	Very high	96.1	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.08	21%	0.208	C	C	.	.			trans	-114.4	148.3	-174.2	57.2	-11.9	0	0	0	112.6	H64 K84 K85 F108 K114	H64-D66 PolarHBondContact O-N 3.09Å; D66-K84 HydrophobicContact CB-CB 4.04Å; D66-K85 CarbonylContact C-O 3.57Å; D66-K85 WeakPolarHBondContact CA-O 3.43Å; D66-F108 HydrophobicContact CB-CZ 4.48Å; D66-F108 WeakPolarHBondContact O-CZ 3.49Å; D66-K114 WeakPolarHBondContact O-CD 3.47Å; D66-K114 WeakPolarHBondContact O-CE 3.37Å; D66-K114 PolarHBondContact O-NZ 2.65Å; D66-K114 IonicContact OD1-NZ 3.52Å; D66-K114 PolarHBondContact OD1-NZ 3.31Å
67	V	97.8	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.4	174.3	72.4	0	0	0	0	110.1	L35 Y57 V59 K84 K85 F104 S105	L35-V67 HydrophobicContact CD2-CG2 3.8Å; Y57-V67 HydrophobicContact CD2-CG1 4.12Å; Y57-V67 HydrophobicContact CE2-CG1 3.87Å; V59-V67 HydrophobicContact CG2-CB 3.95Å; V59-V67 HydrophobicContact CG2-CG1 3.71Å; V67-K84 WeakPolarHBondContact O-CA 3.41Å; V67-K84 PolarHBondContact O-N 2.92Å; V67-K85 PolarHBondContact N-O 3.47Å; V67-K85 PolarHBondContact O-N 3.27Å; V67-F104 HydrophobicContact CG1-CD1 4.14Å; V67-F104 HydrophobicContact CG2-CB 4.04Å; V67-F104 HydrophobicContact CG2-CD1 4.44Å; V67-S105 VanDerWaalsContact CG2-O 3.27Å; V67-S105 WeakPolarHBondContact CG2-O 3.19Å
68	D	98	Very high	96.1	Very high	38 Å²	38	40.4 Å²	40.4	20%	0.203	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.2	168.3	-66.1	-16.5	0	0	0	108.3	E82 T83 K84 F104 S105	D68-E82 CarbonylContact C-O 3.55Å; D68-E82 WeakPolarHBondContact CA-O 3.28Å; D68-T83 WeakPolarHBondContact OD1-CA 3.45Å; D68-T83 WeakPolarHBondContact OD1-CB 3.39Å; D68-K84 PolarHBondContact OD1-N 2.87Å; D68-F104 CarbonylContact O-C 3.58Å; D68-F104 WeakPolarHBondContact O-CA 3.19Å; D68-S105 PolarHBondContact N-O 2.97Å; D68-S105 VanDerWaalsContact N-O 3.09Å; D68-S105 PolarHBondContact O-N 2.9Å
69	C	98.3	Very high	96.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.7	-179.4	-174.5	0	0	0	0	110.2	Y57 Y80 R81 E82 C103 F104	Y57-C69 HydrophobicContact CE1-CB 3.95Å; Y57-C69 HydrophobicContact CE2-CB 4.3Å; C69-Y80 HydrophobicContact CB-CE1 4.09Å; C69-R81 CarbonylContact O-C 3.54Å; C69-R81 WeakPolarHBondContact O-CA 3.46Å; C69-E82 PolarHBondContact N-O 3.09Å; C69-E82 PolarHBondContact O-N 3.12Å; C69-E82 VanDerWaalsContact O-O 3.09Å; C69-C103 WeakPolarHBondContact CA-O 3.34Å; C69-F104 HydrophobicContact CB-CD1 4.16Å; C69-F104 HydrophobicContact CB-CE1 4.24Å
70	Y	98.3	Very high	96.2	Very high	28 Å²	28	42.3 Å²	42.3	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.6	171.3	64.7	-88.4	0	0	0	111.9	E72 Y80 F102 C103	Y70-E72 HydrophobicContact CD2-CG 4.08Å; Y70-E72 HydrophobicContact CE2-CG 4.27Å; Y70-E72 WeakPolarHBondContact CE2-OE1 3.45Å; Y70-Y80 CarbonylContact C-O 3.54Å; Y70-Y80 WeakPolarHBondContact CA-O 3.35Å; Y70-Y80 VanDerWaalsContact CB-O 3.29Å; Y70-Y80 WeakPolarHBondContact CB-O 3.37Å; Y70-F102 WeakPolarHBondContact O-CA 3.24Å; Y70-C103 HydrophobicContact CD1-CB 4.09Å; Y70-C103 HydrophobicContact CD2-CB 4.3Å; Y70-C103 HydrophobicContact CE1-CB 3.54Å; Y70-C103 HydrophobicContact CE2-CB 3.77Å; Y70-C103 HydrophobicContact CG-CB 4.45Å; Y70-C103 VanDerWaalsContact CZ-SG 3.58Å; Y70-C103 PolarHBondContact N-O 2.92Å; Y70-C103 VanDerWaalsContact N-O 3.07Å; Y70-C103 PolarHBondContact O-N 2.87Å; Y70-C103 PolarHBondContact OH-SG 2.81Å; Y70-C103 VanDerWaalsContact OH-SG 3.37Å
71	V	98.1	Very high	96.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.4	176.1	-172.3	0	0	0	0	108.9	F53 L55 T78 I79 Y80 F90 Q101 F102	F53-V71 HydrophobicContact CE2-CG1 4.5Å; L55-V71 HydrophobicContact CD2-CG2 3.73Å; V71-T78 CarbonylContact O-C 3.58Å; V71-T78 WeakPolarHBondContact O-CA 3.17Å; V71-I79 HydrophobicContact CB-CD1 4.34Å; V71-I79 HydrophobicContact CB-CG1 3.95Å; V71-I79 HydrophobicContact CG1-CD1 3.82Å; V71-I79 HydrophobicContact CG1-CG1 3.91Å; V71-I79 WeakPolarHBondContact O-CG1 3.38Å; V71-I79 PolarHBondContact O-N 2.81Å; V71-Y80 HydrophobicContact CG2-CD1 3.96Å; V71-Y80 HydrophobicContact CG2-CG 4.44Å; V71-Y80 PolarHBondContact N-O 3.34Å; V71-Y80 PolarHBondContact O-N 3.14Å; V71-F90 HydrophobicContact CB-CE1 4.47Å; V71-F90 HydrophobicContact CG2-CD1 4.22Å; V71-F90 HydrophobicContact CG2-CE1 4.37Å; V71-Q101 CarbonylContact C-O 3.59Å; V71-Q101 WeakPolarHBondContact CA-O 3.46Å; V71-F102 HydrophobicContact CB-CB 4.5Å; V71-F102 HydrophobicContact CG1-CB 4.37Å; V71-F102 HydrophobicContact CG2-CB 3.86Å
72	E	98.1	Very high	96.4	Very high	44 Å²	44	49.2 Å²	49.2	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	176.1	-72	169.4	176	0	0	110.1	Y70 N77 Q101	Y70-E72 HydrophobicContact CD2-CG 4.08Å; Y70-E72 HydrophobicContact CE2-CG 4.27Å; Y70-E72 WeakPolarHBondContact CE2-OE1 3.45Å; E72-N77 CarbonylContact C-O 3.59Å; E72-N77 VanDerWaalsContact CA-O 3.29Å; E72-N77 WeakPolarHBondContact CA-O 3.42Å; E72-Q101 HydrophobicContact CB-CB 4.47Å; E72-Q101 PolarHBondContact N-O 2.99Å; E72-Q101 PolarHBondContact O-N 3.07Å; E72-Q101 PolarHBondContact OE2-NE2 2.93Å
73	D	97.1	Very high	96.7	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.091	28%	0.281	C	S	.	.			trans	-75.6	172	173.1	77.5	5.8	0	0	0	111.5	Q75 G76 N77 I79 Y100	D73-Q75 PolarHBondContact O-N 2.84Å; D73-Q75 VanDerWaalsContact OD1-C 3.26Å; D73-Q75 VanDerWaalsContact OD1-CA 3.25Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.49Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.47Å; D73-Q75 PolarHBondContact OD1-N 3.21Å; D73-G76 PolarHBondContact O-N 3.09Å; D73-G76 PolarHBondContact OD1-N 3Å; D73-N77 PolarHBondContact N-O 2.78Å; D73-N77 PolarHBondContact OD1-N 3.17Å; D73-N77 WeakPolarHBondContact OD2-CB 3.27Å; D73-N77 PolarHBondContact OD2-ND2 2.86Å; D73-I79 HydrophobicContact CB-CG2 4.18Å; D73-Y100 HydrophobicContact CB-CD1 4.3Å; D73-Y100 HydrophobicContact CB-CE1 3.76Å
74	P	97.3	Very high	97	Very high	49 Å²	49	56.3 Å²	56.3	32%	0.318	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.8	177.8	-22.3	33.1	0	0	0	114.6	V99 Y100	P74-V99 WeakPolarHBondContact CA-O 3.44Å; P74-Y100 HydrophobicContact CG-CD2 4.02Å; P74-Y100 HydrophobicContact CG-CE2 3.85Å
75	Q	96.7	Very high	97.2	Very high	132 Å²	132	53.1 Å²	53.1	62%	0.617	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.2	177.4	-58.1	-175	-17.9	0	0	112.3	D73	D73-Q75 PolarHBondContact O-N 2.84Å; D73-Q75 VanDerWaalsContact OD1-C 3.26Å; D73-Q75 VanDerWaalsContact OD1-CA 3.25Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.49Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.47Å; D73-Q75 PolarHBondContact OD1-N 3.21Å
76	G	95	Very high	97.3	Very high	47 Å²	47	55.7 Å²	55.7	49%	0.485	28%	0.283	S	S	.	.	S	Bend	trans	85.8	10.6	-178	0	0	0	0	0	114.4	D73	D73-G76 PolarHBondContact O-N 3.09Å; D73-G76 PolarHBondContact OD1-N 3Å
77	N	96.7	Very high	97.2	Very high	84 Å²	84	63.1 Å²	63.1	45%	0.449	31%	0.311	S	S	.	.			trans	-81	130.2	174.3	-51.4	-58.6	0	0	0	109.8	E72 D73 I79	E72-N77 CarbonylContact C-O 3.59Å; E72-N77 VanDerWaalsContact CA-O 3.29Å; E72-N77 WeakPolarHBondContact CA-O 3.42Å; D73-N77 PolarHBondContact N-O 2.78Å; D73-N77 PolarHBondContact OD1-N 3.17Å; D73-N77 WeakPolarHBondContact OD2-CB 3.27Å; D73-N77 PolarHBondContact OD2-ND2 2.86Å; N77-I79 PolarHBondContact O-N 2.7Å
78	T	97.2	Very high	97.2	Very high	58 Å²	58	65.1 Å²	65.1	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.5	172.5	-54.4	0	0	0	0	110.3	V71 Y80 R81	V71-T78 CarbonylContact O-C 3.58Å; V71-T78 WeakPolarHBondContact O-CA 3.17Å; T78-Y80 WeakPolarHBondContact CG2-O 3.48Å; T78-R81 HydrophobicContact CG2-CB 3.9Å; T78-R81 PolarHBondContact OG1-NH2 2.89Å
79	I	97.3	Very high	97.1	Very high	45 Å²	45	66.5 Å²	66.5	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-20.6	178.8	57.5	169.8	0	0	0	113	F53 V71 D73 N77 F90 Y92 Y100	F53-I79 HydrophobicContact CZ-CD1 3.8Å; V71-I79 HydrophobicContact CB-CD1 4.34Å; V71-I79 HydrophobicContact CB-CG1 3.95Å; V71-I79 HydrophobicContact CG1-CD1 3.82Å; V71-I79 HydrophobicContact CG1-CG1 3.91Å; V71-I79 WeakPolarHBondContact O-CG1 3.38Å; V71-I79 PolarHBondContact O-N 2.81Å; D73-I79 HydrophobicContact CB-CG2 4.18Å; N77-I79 PolarHBondContact O-N 2.7Å; I79-F90 HydrophobicContact CD1-CE1 4.13Å; I79-F90 HydrophobicContact CD1-CZ 4.3Å; I79-F90 HydrophobicContact CG1-CE1 4.37Å; I79-F90 HydrophobicContact CG1-CZ 4.36Å; I79-Y92 HydrophobicContact CD1-CD1 3.64Å; I79-Y92 HydrophobicContact CD1-CE1 3.85Å; I79-Y92 HydrophobicContact CD1-CG 4.17Å; I79-Y100 HydrophobicContact CD1-CD1 3.99Å; I79-Y100 HydrophobicContact CD1-CE1 3.84Å
80	Y	97.8	Very high	97	Very high	19 Å²	19	67.8 Å²	67.8	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.1	175.2	172.5	-98.5	0	0	0	109.4	Y57 C69 Y70 V71 T78 E82 D88 F90	Y57-Y80 HydrophobicContact CE1-CE1 4.31Å; Y57-Y80 PolarHBondContact OH-OH 3.12Å; C69-Y80 HydrophobicContact CB-CE1 4.09Å; Y70-Y80 CarbonylContact C-O 3.54Å; Y70-Y80 WeakPolarHBondContact CA-O 3.35Å; Y70-Y80 VanDerWaalsContact CB-O 3.29Å; Y70-Y80 WeakPolarHBondContact CB-O 3.37Å; V71-Y80 HydrophobicContact CG2-CD1 3.96Å; V71-Y80 HydrophobicContact CG2-CG 4.44Å; V71-Y80 PolarHBondContact N-O 3.34Å; V71-Y80 PolarHBondContact O-N 3.14Å; T78-Y80 WeakPolarHBondContact CG2-O 3.48Å; Y80-E82 HydrophobicContact CD2-CG 4.41Å; Y80-E82 HydrophobicContact CE1-CB 4.3Å; Y80-E82 HydrophobicContact CE1-CG 4.26Å; Y80-E82 HydrophobicContact CE2-CB 4.4Å; Y80-E82 HydrophobicContact CE2-CG 3.51Å; Y80-E82 VanDerWaalsContact CZ-CG 3.43Å; Y80-E82 WeakPolarHBondContact OH-CB 3.44Å; Y80-E82 VanDerWaalsContact OH-CG 3.28Å; Y80-E82 WeakPolarHBondContact OH-CG 2.99Å; Y80-D88 WeakPolarHBondContact OH-CB 3.32Å; Y80-D88 VanDerWaalsContact OH-CG 3.29Å; Y80-D88 PolarHBondContact OH-OD2 3.27Å; Y80-F90 HydrophobicContact CD1-CG 4.42Å; Y80-F90 HydrophobicContact CD2-CB 3.9Å; Y80-F90 HydrophobicContact CD2-CD1 4.26Å; Y80-F90 AromaticContact CD2-CD2 3.38Å; Y80-F90 HydrophobicContact CD2-CD2 3.38Å; Y80-F90 AromaticContact CD2-CE2 3.92Å; Y80-F90 HydrophobicContact CD2-CE2 3.92Å; Y80-F90 AromaticContact CD2-CG 3.57Å; Y80-F90 HydrophobicContact CD2-CG 3.57Å; Y80-F90 HydrophobicContact CE2-CB 3.9Å; Y80-F90 HydrophobicContact CE2-CD2 4.07Å; Y80-F90 HydrophobicContact CE2-CG 4.11Å; Y80-F90 HydrophobicContact CG-CB 4.23Å; Y80-F90 AromaticContact CG-CD1 3.96Å; Y80-F90 HydrophobicContact CG-CD1 3.96Å; Y80-F90 AromaticContact CG-CD2 3.89Å; Y80-F90 HydrophobicContact CG-CD2 3.89Å; Y80-F90 HydrophobicContact CG-CE1 4.27Å; Y80-F90 HydrophobicContact CG-CE2 4.21Å; Y80-F90 AromaticContact CG-CG 3.74Å; Y80-F90 HydrophobicContact CG-CG 3.74Å; Y80-F90 HydrophobicContact CG-CZ 4.38Å
81	R	97.9	Very high	96.9	Very high	130 Å²	130	70.5 Å²	70.5	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	118.3	175.4	-178.2	176.3	-61.6	-75.4	-4.8	109.5	C69 T78	C69-R81 CarbonylContact O-C 3.54Å; C69-R81 WeakPolarHBondContact O-CA 3.46Å; T78-R81 HydrophobicContact CG2-CB 3.9Å; T78-R81 PolarHBondContact OG1-NH2 2.89Å
82	E	98.1	Very high	96.8	Very high	67 Å²	67	72.9 Å²	72.9	31%	0.313	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.9	174.4	-73	-64.5	151.6	0	0	109.8	D68 C69 Y80 K85	D68-E82 CarbonylContact C-O 3.55Å; D68-E82 WeakPolarHBondContact CA-O 3.28Å; C69-E82 PolarHBondContact N-O 3.09Å; C69-E82 PolarHBondContact O-N 3.12Å; C69-E82 VanDerWaalsContact O-O 3.09Å; Y80-E82 HydrophobicContact CD2-CG 4.41Å; Y80-E82 HydrophobicContact CE1-CB 4.3Å; Y80-E82 HydrophobicContact CE1-CG 4.26Å; Y80-E82 HydrophobicContact CE2-CB 4.4Å; Y80-E82 HydrophobicContact CE2-CG 3.51Å; Y80-E82 VanDerWaalsContact CZ-CG 3.43Å; Y80-E82 WeakPolarHBondContact OH-CB 3.44Å; Y80-E82 VanDerWaalsContact OH-CG 3.28Å; Y80-E82 WeakPolarHBondContact OH-CG 2.99Å; E82-K85 HydrophobicContact CB-CG 3.75Å; E82-K85 HydrophobicContact CG-CG 4.49Å; E82-K85 WeakPolarHBondContact OE2-CE 3.21Å; E82-K85 IonicContact OE2-NZ 3.31Å
83	T	97.3	Very high	96.7	Very high	89 Å²	89	78.3 Å²	78.3	55%	0.546	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	-176.6	58.5	0	0	0	0	110.9	D68 K85	D68-T83 WeakPolarHBondContact OD1-CA 3.45Å; D68-T83 WeakPolarHBondContact OD1-CB 3.39Å; T83-K85 VanDerWaalsContact C-N 3.27Å; T83-K85 PolarHBondContact O-N 2.54Å
84	K	95.8	Very high	96.6	Very high	124 Å²	124	77.6 Å²	77.6	54%	0.539	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.7	43.5	176.9	-59.6	-172.9	175.8	-173.8	0	114.1	D66 V67 D68 F108	D66-K84 HydrophobicContact CB-CB 4.04Å; V67-K84 WeakPolarHBondContact O-CA 3.41Å; V67-K84 PolarHBondContact O-N 2.92Å; D68-K84 PolarHBondContact OD1-N 2.87Å; K84-F108 HydrophobicContact CG-CE1 4.44Å; K84-F108 HydrophobicContact CG-CZ 4.32Å
85	K	97.5	Very high	96.5	Very high	81 Å²	81	81.5 Å²	81.5	35%	0.352	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144	175.2	-67.6	-65.8	-173.6	161.9	0	110.9	Y57 D66 V67 E82 T83	Y57-K85 HydrophobicContact CE2-CB 4.26Å; Y57-K85 WeakPolarHBondContact OH-CB 3.46Å; D66-K85 CarbonylContact C-O 3.57Å; D66-K85 WeakPolarHBondContact CA-O 3.43Å; V67-K85 PolarHBondContact N-O 3.47Å; V67-K85 PolarHBondContact O-N 3.27Å; E82-K85 HydrophobicContact CB-CG 3.75Å; E82-K85 HydrophobicContact CG-CG 4.49Å; E82-K85 WeakPolarHBondContact OE2-CE 3.21Å; E82-K85 IonicContact OE2-NZ 3.31Å; T83-K85 VanDerWaalsContact C-N 3.27Å; T83-K85 PolarHBondContact O-N 2.54Å
86	Q	96.3	Very high	96.5	Very high	101 Å²	101	77.2 Å²	77.2	47%	0.472	38%	0.381	S	S	.	.	S	Bend	trans	-88.4	-35.7	175.1	-50.7	-169.5	-15.3	0	0	112.9	V59 H64 Y65	V59-Q86 PolarHBondContact N-O 2.75Å; H64-Q86 PolarHBondContact O-NE2 2.65Å; H64-Q86 VanDerWaalsContact O-NE2 3.09Å; Y65-Q86 WeakPolarHBondContact O-CA 3.49Å; Y65-Q86 WeakPolarHBondContact O-CB 3.35Å; Y65-Q86 WeakPolarHBondContact O-CG 3.27Å
87	Y	95.8	Very high	96.5	Very high	172 Å²	172	79.9 Å²	79.9	68%	0.675	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	150.5	172.2	80	-86	0	0	0	107.6	Y57	Y57-Y87 VanDerWaalsContact O-CA 3.23Å; Y57-Y87 WeakPolarHBondContact O-CA 3.44Å
88	D	97	Very high	96.5	Very high	42 Å²	42	76.5 Å²	76.5	23%	0.225	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	164.7	164.9	-155.3	8.7	0	0	0	110.6	Y57 Y80	Y57-D88 HydrophobicContact CD1-CB 4.47Å; Y57-D88 HydrophobicContact CE1-CB 3.57Å; Y57-D88 HydrophobicContact CE2-CB 4.42Å; Y57-D88 PolarHBondContact N-O 3.21Å; Y57-D88 VanDerWaalsContact N-O 3.12Å; Y57-D88 PolarHBondContact O-N 3.07Å; Y57-D88 WeakPolarHBondContact OH-CB 3.14Å; Y80-D88 WeakPolarHBondContact OH-CB 3.32Å; Y80-D88 VanDerWaalsContact OH-CG 3.29Å; Y80-D88 PolarHBondContact OH-OD2 3.27Å
89	S	95.3	Very high	96.5	Very high	67 Å²	67	77.1 Å²	77.1	47%	0.469	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.2	176.8	-176.5	0	0	0	0	109.3	D56	D56-S89 WeakPolarHBondContact OD1-CA 3.3Å; D56-S89 WeakPolarHBondContact OD1-CB 3.41Å; D56-S89 PolarHBondContact OD1-OG 2.81Å
90	F	96.1	Very high	96.5	Very high	28 Å²	28	75 Å²	75	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.1	-179.2	174.5	-114.4	0	0	0	110.9	F53 S54 L55 V71 I79 Y80 Y92	F53-F90 HydrophobicContact CE2-CD1 4.46Å; F53-F90 HydrophobicContact CE2-CE1 4.13Å; F53-F90 HydrophobicContact CZ-CE1 4.44Å; S54-F90 CarbonylContact C-O 3.55Å; S54-F90 VanDerWaalsContact CA-O 3.27Å; S54-F90 WeakPolarHBondContact CA-O 3.44Å; L55-F90 PolarHBondContact N-O 3.29Å; L55-F90 PolarHBondContact O-N 3.48Å; V71-F90 HydrophobicContact CB-CE1 4.47Å; V71-F90 HydrophobicContact CG2-CD1 4.22Å; V71-F90 HydrophobicContact CG2-CE1 4.37Å; I79-F90 HydrophobicContact CD1-CE1 4.13Å; I79-F90 HydrophobicContact CD1-CZ 4.3Å; I79-F90 HydrophobicContact CG1-CE1 4.37Å; I79-F90 HydrophobicContact CG1-CZ 4.36Å; Y80-F90 HydrophobicContact CD1-CG 4.42Å; Y80-F90 HydrophobicContact CD2-CB 3.9Å; Y80-F90 HydrophobicContact CD2-CD1 4.26Å; Y80-F90 AromaticContact CD2-CD2 3.38Å; Y80-F90 HydrophobicContact CD2-CD2 3.38Å; Y80-F90 AromaticContact CD2-CE2 3.92Å; Y80-F90 HydrophobicContact CD2-CE2 3.92Å; Y80-F90 AromaticContact CD2-CG 3.57Å; Y80-F90 HydrophobicContact CD2-CG 3.57Å; Y80-F90 HydrophobicContact CE2-CB 3.9Å; Y80-F90 HydrophobicContact CE2-CD2 4.07Å; Y80-F90 HydrophobicContact CE2-CG 4.11Å; Y80-F90 HydrophobicContact CG-CB 4.23Å; Y80-F90 AromaticContact CG-CD1 3.96Å; Y80-F90 HydrophobicContact CG-CD1 3.96Å; Y80-F90 AromaticContact CG-CD2 3.89Å; Y80-F90 HydrophobicContact CG-CD2 3.89Å; Y80-F90 HydrophobicContact CG-CE1 4.27Å; Y80-F90 HydrophobicContact CG-CE2 4.21Å; Y80-F90 AromaticContact CG-CG 3.74Å; Y80-F90 HydrophobicContact CG-CG 3.74Å; Y80-F90 HydrophobicContact CG-CZ 4.38Å; F90-Y92 HydrophobicContact CE1-CG 4.42Å; F90-Y92 VanDerWaalsContact CZ-CB 3.47Å; F90-Y92 HydrophobicContact CZ-CD2 4.2Å; F90-Y92 AromaticContact CZ-CG 3.97Å; F90-Y92 HydrophobicContact CZ-CG 3.97Å
91	T	95.7	Very high	96.4	Very high	84 Å²	84	76.4 Å²	76.4	52%	0.515	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.5	173.3	-55.8	0	0	0	0	110.6	F53 S54	F53-T91 WeakPolarHBondContact O-CA 3.14Å; S54-T91 PolarHBondContact OG-OG1 2.89Å
92	Y	96	Very high	96.4	Very high	51 Å²	51	70.5 Å²	70.5	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.9	179.3	-176	-107.5	0	0	0	112	K52 F53 I79 F90 E95 Y100	K52-Y92 CarbonylContact C-O 3.51Å; K52-Y92 VanDerWaalsContact CA-O 3.32Å; K52-Y92 WeakPolarHBondContact CA-O 3Å; F53-Y92 AromaticContact CE1-CD1 3.62Å; F53-Y92 HydrophobicContact CE1-CD1 3.62Å; F53-Y92 HydrophobicContact CE1-CG 4.42Å; F53-Y92 AromaticContact CZ-CD1 3.71Å; F53-Y92 HydrophobicContact CZ-CD1 3.71Å; F53-Y92 HydrophobicContact CZ-CG 4.27Å; F53-Y92 PolarHBondContact N-O 2.55Å; F53-Y92 PolarHBondContact O-N 3.29Å; I79-Y92 HydrophobicContact CD1-CD1 3.64Å; I79-Y92 HydrophobicContact CD1-CE1 3.85Å; I79-Y92 HydrophobicContact CD1-CG 4.17Å; F90-Y92 HydrophobicContact CE1-CG 4.42Å; F90-Y92 VanDerWaalsContact CZ-CB 3.47Å; F90-Y92 HydrophobicContact CZ-CD2 4.2Å; F90-Y92 AromaticContact CZ-CG 3.97Å; F90-Y92 HydrophobicContact CZ-CG 3.97Å; Y92-E95 VanDerWaalsContact OH-CG 3.3Å; Y92-E95 WeakPolarHBondContact OH-CG 3.44Å; Y92-E95 PolarHBondContact OH-OE1 2.84Å; Y92-Y100 HydrophobicContact CE1-CE1 4.47Å
93	R	96.4	Very high	96.4	Very high	157 Å²	157	67.3 Å²	67.3	59%	0.592	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.6	176.4	-169.7	176	-168.6	-176.9	0.6	109	G50 K52 E95	G50-R93 PolarHBondContact O-NE 3.1Å; G50-R93 PolarHBondContact O-NH2 3.11Å; K52-R93 HydrophobicContact CG-CB 4.27Å; K52-R93 HydrophobicContact CG-CG 4.15Å; R93-E95 PolarHBondContact O-N 3.12Å; R93-E95 VanDerWaalsContact O-N 3.15Å
94	A	95.9	Very high	96.4	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.017	30%	0.301	C	S	.	.			trans	-60.2	116	-174.5	0	0	0	0	0	111.8	V47 G50 V51 F53 Y100	V47-A94 HydrophobicContact CB-CB 4.44Å; V47-A94 HydrophobicContact CG1-CB 3.67Å; G50-A94 WeakPolarHBondContact CA-O 3.41Å; G50-A94 PolarHBondContact N-O 2.97Å; V51-A94 WeakPolarHBondContact O-CB 2.77Å; V51-A94 PolarHBondContact O-N 3.03Å; F53-A94 HydrophobicContact CE1-CB 4.47Å; A94-Y100 WeakPolarHBondContact CA-OH 2.87Å; A94-Y100 HydrophobicContact CB-CE2 3.9Å; A94-Y100 WeakPolarHBondContact CB-OH 3.06Å
95	E	95.5	Very high	96.5	Very high	132 Å²	132	57.5 Å²	57.5	62%	0.617	28%	0.277	S	S	*	.	S	Bend	trans	-77.3	-28.1	175.7	-74.1	177.8	-153.2	0	0	112.4	Q49 Y92 R93	Q49-E95 WeakPolarHBondContact CG-O 3.38Å; Q49-E95 PolarHBondContact NE2-O 3.41Å; Y92-E95 VanDerWaalsContact OH-CG 3.3Å; Y92-E95 WeakPolarHBondContact OH-CG 3.44Å; Y92-E95 PolarHBondContact OH-OE1 2.84Å; R93-E95 PolarHBondContact O-N 3.12Å; R93-E95 VanDerWaalsContact O-N 3.15Å
96	V	95.3	Very high	96.5	Very high	42 Å²	42	53.7 Å²	53.7	26%	0.255	26%	0.261	S	S	.	.	S	Bend	trans	-131.5	137.9	-175.4	-165.5	0	0	0	0	108.5	Y100	V96-Y100 PolarHBondContact O-OH 3.32Å
97	K	96.6	Very high	96.5	Very high	102 Å²	102	53.6 Å²	53.6	44%	0.443	26%	0.26	S	S	.	.			trans	-68.8	134.2	170.8	174.6	-178.1	179.2	137.1	0	109.6	V47 E48 Q49	V47-K97 WeakPolarHBondContact O-CA 3.41Å; E48-K97 IonicContact OE1-NZ 2.68Å; E48-K97 PolarHBondContact OE1-NZ 3.39Å; E48-K97 WeakPolarHBondContact OE2-CD 3.39Å; E48-K97 VanDerWaalsContact OE2-CE 3.3Å; E48-K97 WeakPolarHBondContact OE2-CE 3.45Å; E48-K97 IonicContact OE2-NZ 2.83Å; E48-K97 PolarHBondContact OE2-NZ 3.11Å; Q49-K97 HydrophobicContact CB-CB 4.1Å
98	G	95.8	Very high	96.4	Very high	13 Å²	13	48.4 Å²	48.4	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157	-163.8	168.3	0	0	0	0	0	113.1	V47	V47-G98 PolarHBondContact N-O 2.92Å; V47-G98 PolarHBondContact O-N 3.05Å
99	V	96.8	Very high	96.2	Very high	71 Å²	71	47 Å²	47	43%	0.43	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.6	-179.9	-177.7	0	0	0	0	109.7	H44 E45 P74	H44-V99 HydrophobicContact CB-CG1 3.67Å; E45-V99 WeakPolarHBondContact O-CA 3.31Å; P74-V99 WeakPolarHBondContact CA-O 3.44Å
100	Y	96.9	Very high	95.8	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.8	170.4	-77	-100.1	0	0	0	109.1	H44 E45 V47 F53 D73 P74 I79 Y92 A94 V96	H44-Y100 WeakPolarHBondContact CA-O 3.03Å; E45-Y100 PolarHBondContact N-O 2.85Å; E45-Y100 PolarHBondContact O-N 2.89Å; V47-Y100 HydrophobicContact CB-CD2 3.71Å; V47-Y100 HydrophobicContact CB-CE2 3.9Å; V47-Y100 HydrophobicContact CG2-CD2 3.8Å; V47-Y100 HydrophobicContact CG2-CE2 4.44Å; V47-Y100 HydrophobicContact CG2-CG 4.43Å; F53-Y100 AromaticContact CE1-CD1 3.93Å; F53-Y100 HydrophobicContact CE1-CD1 3.93Å; F53-Y100 AromaticContact CE1-CE1 3.87Å; F53-Y100 HydrophobicContact CE1-CE1 3.87Å; F53-Y100 HydrophobicContact CE1-CG 4.28Å; F53-Y100 AromaticContact CZ-CD1 3.83Å; F53-Y100 HydrophobicContact CZ-CD1 3.83Å; F53-Y100 HydrophobicContact CZ-CE1 4.06Å; F53-Y100 HydrophobicContact CZ-CG 4.4Å; D73-Y100 HydrophobicContact CB-CD1 4.3Å; D73-Y100 HydrophobicContact CB-CE1 3.76Å; P74-Y100 HydrophobicContact CG-CD2 4.02Å; P74-Y100 HydrophobicContact CG-CE2 3.85Å; I79-Y100 HydrophobicContact CD1-CD1 3.99Å; I79-Y100 HydrophobicContact CD1-CE1 3.84Å; Y92-Y100 HydrophobicContact CE1-CE1 4.47Å; A94-Y100 WeakPolarHBondContact CA-OH 2.87Å; A94-Y100 HydrophobicContact CB-CE2 3.9Å; A94-Y100 WeakPolarHBondContact CB-OH 3.06Å; V96-Y100 PolarHBondContact O-OH 3.32Å
101	Q	97.4	Very high	95.5	Very high	49 Å²	49	56 Å²	56	23%	0.229	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.1	178.2	178.5	179.9	-85.9	0	0	109.1	C42 F43 H44 V71 E72	C42-Q101 HydrophobicContact CB-CG 4.21Å; F43-Q101 WeakPolarHBondContact O-CA 3.08Å; H44-Q101 WeakPolarHBondContact NE2-CG 3.46Å; H44-Q101 PolarHBondContact NE2-OE1 2.72Å; V71-Q101 CarbonylContact C-O 3.59Å; V71-Q101 WeakPolarHBondContact CA-O 3.46Å; E72-Q101 HydrophobicContact CB-CB 4.47Å; E72-Q101 PolarHBondContact N-O 2.99Å; E72-Q101 PolarHBondContact O-N 3.07Å; E72-Q101 PolarHBondContact OE2-NE2 2.93Å
102	F	96.9	Very high	95.4	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.3	172	58.9	-83.6	0	0	0	110	C42 F43 E45 L55 Y70 V71 F104 F118 F120	C42-F102 WeakPolarHBondContact CA-O 3.32Å; F43-F102 HydrophobicContact CB-CD1 4.28Å; F43-F102 HydrophobicContact CB-CD2 4.01Å; F43-F102 HydrophobicContact CB-CE1 3.74Å; F43-F102 HydrophobicContact CB-CE2 3.45Å; F43-F102 VanDerWaalsContact CB-CE2 3.45Å; F43-F102 HydrophobicContact CB-CG 4.4Å; F43-F102 HydrophobicContact CB-CZ 3.3Å; F43-F102 HydrophobicContact CD2-CD2 4.26Å; F43-F102 AromaticContact CD2-CE2 3.85Å; F43-F102 HydrophobicContact CD2-CE2 3.85Å; F43-F102 AromaticContact CG-CE2 3.91Å; F43-F102 HydrophobicContact CG-CE2 3.91Å; F43-F102 HydrophobicContact CG-CZ 4.12Å; F43-F102 PolarHBondContact N-O 2.77Å; F43-F102 PolarHBondContact O-N 2.84Å; E45-F102 HydrophobicContact CB-CE1 4.47Å; L55-F102 HydrophobicContact CD1-CD2 4.02Å; L55-F102 HydrophobicContact CD1-CE2 4.24Å; L55-F102 HydrophobicContact CD2-CB 4.07Å; L55-F102 HydrophobicContact CD2-CD2 4.39Å; L55-F102 HydrophobicContact CD2-CG 4.46Å; Y70-F102 WeakPolarHBondContact O-CA 3.24Å; V71-F102 HydrophobicContact CB-CB 4.5Å; V71-F102 HydrophobicContact CG1-CB 4.37Å; V71-F102 HydrophobicContact CG2-CB 3.86Å; F102-F104 AromaticContact CD2-CE2 3.97Å; F102-F104 HydrophobicContact CD2-CE2 3.97Å; F102-F104 HydrophobicContact CD2-CZ 4.49Å; F102-F104 HydrophobicContact CE2-CE2 4.27Å; F102-F118 AromaticContact CE2-CD2 3.73Å; F102-F118 HydrophobicContact CE2-CD2 3.73Å; F102-F118 HydrophobicContact CE2-CE1 4.42Å; F102-F118 AromaticContact CE2-CE2 3.52Å; F102-F118 HydrophobicContact CE2-CE2 3.52Å; F102-F118 HydrophobicContact CE2-CG 4.3Å; F102-F118 AromaticContact CE2-CZ 3.88Å; F102-F118 HydrophobicContact CE2-CZ 3.88Å; F102-F118 HydrophobicContact CZ-CD2 4.21Å; F102-F118 AromaticContact CZ-CE2 3.67Å; F102-F118 HydrophobicContact CZ-CE2 3.67Å; F102-F118 HydrophobicContact CZ-CZ 4.16Å; F102-F120 AromaticContact CD1-CD2 3.82Å; F102-F120 HydrophobicContact CD1-CD2 3.82Å; F102-F120 AromaticContact CD1-CE2 3.81Å; F102-F120 HydrophobicContact CD1-CE2 3.81Å; F102-F120 HydrophobicContact CD1-CG 4.41Å; F102-F120 HydrophobicContact CD1-CZ 4.41Å; F102-F120 HydrophobicContact CE1-CB 4.28Å; F102-F120 HydrophobicContact CE1-CD1 4.26Å; F102-F120 AromaticContact CE1-CD2 3.66Å; F102-F120 HydrophobicContact CE1-CD2 3.66Å; F102-F120 HydrophobicContact CE1-CE2 4Å; F102-F120 AromaticContact CE1-CG 3.8Å; F102-F120 HydrophobicContact CE1-CG 3.8Å; F102-F120 HydrophobicContact CE1-CZ 4.44Å; F102-F120 HydrophobicContact CE2-CD2 4.5Å; F102-F120 HydrophobicContact CG-CD2 4.31Å; F102-F120 HydrophobicContact CG-CE2 4.44Å; F102-F120 HydrophobicContact CZ-CB 3.95Å; F102-F120 HydrophobicContact CZ-CD2 4.02Å; F102-F120 AromaticContact CZ-CG 3.99Å; F102-F120 HydrophobicContact CZ-CG 3.99Å
103	C	98	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.2	-171	-61.2	0	0	0	0	111.3	Q41 C42 C69 Y70	Q41-C103 CarbonylContact O-C 3.48Å; Q41-C103 WeakPolarHBondContact O-CA 3.26Å; C42-C103 HydrophobicContact CB-CB 4.09Å; C42-C103 WeakPolarHBondContact CB-SG 3.27Å; C42-C103 WeakPolarHBondContact SG-CB 3.31Å; C42-C103 CovalentContact SG-SG 2.04Å; C42-C103 PolarHBondContact SG-SG 2.88Å; C69-C103 WeakPolarHBondContact CA-O 3.34Å; Y70-C103 HydrophobicContact CD1-CB 4.09Å; Y70-C103 HydrophobicContact CD2-CB 4.3Å; Y70-C103 HydrophobicContact CE1-CB 3.54Å; Y70-C103 HydrophobicContact CE2-CB 3.77Å; Y70-C103 HydrophobicContact CG-CB 4.45Å; Y70-C103 VanDerWaalsContact CZ-SG 3.58Å; Y70-C103 PolarHBondContact N-O 2.92Å; Y70-C103 VanDerWaalsContact N-O 3.07Å; Y70-C103 PolarHBondContact O-N 2.87Å; Y70-C103 PolarHBondContact OH-SG 2.81Å; Y70-C103 VanDerWaalsContact OH-SG 3.37Å
104	F	98.4	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.5	171	-60.3	-80.3	0	0	0	108.8	F33 L35 K40 Q41 F43 L55 Y57 V67 D68 C69 F102 V116 F118	F33-F104 AromaticContact CE1-CD2 3.91Å; F33-F104 HydrophobicContact CE1-CD2 3.91Å; F33-F104 HydrophobicContact CE1-CE2 4.26Å; F33-F104 HydrophobicContact CZ-CB 4.03Å; F33-F104 AromaticContact CZ-CD2 3.72Å; F33-F104 HydrophobicContact CZ-CD2 3.72Å; F33-F104 HydrophobicContact CZ-CG 4.07Å; L35-F104 HydrophobicContact CD2-CB 3.98Å; K40-F104 CarbonylContact C-O 3.54Å; K40-F104 VanDerWaalsContact CA-O 3.28Å; K40-F104 WeakPolarHBondContact CA-O 3.42Å; Q41-F104 PolarHBondContact N-O 3.07Å; Q41-F104 PolarHBondContact O-N 2.75Å; F43-F104 HydrophobicContact CD2-CD2 4.3Å; F43-F104 HydrophobicContact CD2-CE2 4.35Å; F43-F104 HydrophobicContact CE2-CD2 4.13Å; F43-F104 HydrophobicContact CE2-CE2 4.39Å; L55-F104 HydrophobicContact CD1-CZ 4.27Å; Y57-F104 HydrophobicContact CD1-CE1 4.08Å; Y57-F104 AromaticContact CD2-CE1 3.96Å; Y57-F104 HydrophobicContact CD2-CE1 3.96Å; Y57-F104 AromaticContact CG-CE1 3.65Å; Y57-F104 HydrophobicContact CG-CE1 3.65Å; Y57-F104 HydrophobicContact CG-CZ 4.29Å; V67-F104 HydrophobicContact CG1-CD1 4.14Å; V67-F104 HydrophobicContact CG2-CB 4.04Å; V67-F104 HydrophobicContact CG2-CD1 4.44Å; D68-F104 CarbonylContact O-C 3.58Å; D68-F104 WeakPolarHBondContact O-CA 3.19Å; C69-F104 HydrophobicContact CB-CD1 4.16Å; C69-F104 HydrophobicContact CB-CE1 4.24Å; F102-F104 AromaticContact CD2-CE2 3.97Å; F102-F104 HydrophobicContact CD2-CE2 3.97Å; F102-F104 HydrophobicContact CD2-CZ 4.49Å; F102-F104 HydrophobicContact CE2-CE2 4.27Å; F104-V116 HydrophobicContact CD1-CG1 4.14Å; F104-V116 HydrophobicContact CE1-CG1 4.17Å; F104-V116 HydrophobicContact CG-CG1 4.46Å; F104-F118 HydrophobicContact CE2-CB 4.1Å; F104-F118 AromaticContact CE2-CD1 3.83Å; F104-F118 HydrophobicContact CE2-CD1 3.83Å; F104-F118 HydrophobicContact CE2-CE1 4.47Å; F104-F118 HydrophobicContact CE2-CG 4.03Å; F104-F118 HydrophobicContact CZ-CB 3.74Å; F104-F118 HydrophobicContact CZ-CD1 4.33Å; F104-F118 HydrophobicContact CZ-CG 4.18Å
105	S	97.9	Very high	95.4	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.3	180	-179.1	0	0	0	0	111.6	V67 D68 E107	V67-S105 VanDerWaalsContact CG2-O 3.27Å; V67-S105 WeakPolarHBondContact CG2-O 3.19Å; D68-S105 PolarHBondContact N-O 2.97Å; D68-S105 VanDerWaalsContact N-O 3.09Å; D68-S105 PolarHBondContact O-N 2.9Å; S105-E107 WeakPolarHBondContact OG-CB 3.33Å; S105-E107 WeakPolarHBondContact OG-CG 3.44Å; S105-E107 PolarHBondContact OG-N 2.94Å
106	N	97.1	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.			trans	-118.4	24.6	171.1	-171.2	29	0	0	0	111.1	L35 P36 N38 A39 F108 S109 S112 K114	L35-N106 HydrophobicContact CD2-CB 3.62Å; L35-N106 HydrophobicContact CG-CB 3.69Å; P36-N106 PolarHBondContact O-ND2 2.94Å; N38-N106 PolarHBondContact N-O 2.85Å; A39-N106 CarbonylContact O-C 3.48Å; A39-N106 WeakPolarHBondContact O-CA 3.08Å; A39-N106 PolarHBondContact O-N 2.67Å; N106-F108 PolarHBondContact O-N 2.88Å; N106-F108 VanDerWaalsContact O-N 3.12Å; N106-S109 PolarHBondContact O-N 2.92Å; N106-S109 VanDerWaalsContact O-N 3.09Å; N106-S109 WeakPolarHBondContact OD1-CB 3.41Å; N106-S109 PolarHBondContact OD1-OG 2.7Å; N106-S112 PolarHBondContact ND2-O 3.49Å; N106-K114 HydrophobicContact CB-CD 4.23Å; N106-K114 VanDerWaalsContact CG-CE 3.47Å; N106-K114 WeakPolarHBondContact OD1-CD 3.23Å; N106-K114 WeakPolarHBondContact OD1-CE 3.5Å
107	E	95.8	Very high	95.5	Very high	99 Å²	99	42.1 Å²	42.1	46%	0.463	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.3	179.3	-72.9	174.1	165.3	0	0	112.6	N38 S105	N38-E107 PolarHBondContact OD1-O 3.26Å; S105-E107 WeakPolarHBondContact OG-CB 3.33Å; S105-E107 WeakPolarHBondContact OG-CG 3.44Å; S105-E107 PolarHBondContact OG-N 2.94Å
108	F	93.9	Very high	95.5	Very high	64 Å²	64	37.9 Å²	37.9	28%	0.281	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.1	178.4	67.1	-96.1	0	0	0	114.6	D66 K84 N106	D66-F108 HydrophobicContact CB-CZ 4.48Å; D66-F108 WeakPolarHBondContact O-CZ 3.49Å; K84-F108 HydrophobicContact CG-CE1 4.44Å; K84-F108 HydrophobicContact CG-CZ 4.32Å; N106-F108 PolarHBondContact O-N 2.88Å; N106-F108 VanDerWaalsContact O-N 3.12Å
109	S	91.9	Very high	95.5	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.084	19%	0.19	C	C	.	.			trans	-101.9	119.5	178.6	-51.3	0	0	0	0	110.3	D37 N38 N106 K114	D37-S109 WeakPolarHBondContact CB-O 3.32Å; N38-S109 PolarHBondContact N-O 3.03Å; N106-S109 PolarHBondContact O-N 2.92Å; N106-S109 VanDerWaalsContact O-N 3.09Å; N106-S109 WeakPolarHBondContact OD1-CB 3.41Å; N106-S109 PolarHBondContact OD1-OG 2.7Å; S109-K114 WeakPolarHBondContact OG-CE 3.42Å
110	T	88.5	Confident	95.3	Very high	88 Å²	88	34.9 Å²	34.9	54%	0.54	17%	0.172	S	C	.	.	S	Bend	trans	-94.3	-10.4	-177	46.8	0	0	0	0	114.5
111	F	89.8	Confident	95.1	Very high	195 Å²	195	38 Å²	38	86%	0.855	19%	0.186	S	C	*	.	S	Bend	trans	-138.4	-1.7	-172.9	-68.9	-76.2	0	0	0	114.3
112	S	91.9	Very high	94.8	Very high	32 Å²	32	38.4 Å²	38.4	22%	0.224	19%	0.192	C	C	.	.			trans	-131.6	118.1	-177.4	62	0	0	0	0	111.2	N106	N106-S112 PolarHBondContact ND2-O 3.49Å
113	H	95.1	Very high	94.2	Very high	103 Å²	103	39.3 Å²	39.3	48%	0.477	20%	0.203	S	C	.	.			trans	-70.3	161	162.9	64.5	-89.9	0	0	0	110.1	L35 G62	L35-H113 WeakPolarHBondContact O-CA 3.09Å; G62-H113 VanDerWaalsContact CA-O 3.28Å; G62-H113 WeakPolarHBondContact CA-O 3.38Å
114	K	96.6	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.5	-179.7	-63.3	175.8	-175.6	-79.2	0	109.8	E34 L35 V59 T61 D66 N106 S109 V116	E34-K114 CarbonylContact C-O 3.49Å; E34-K114 WeakPolarHBondContact CA-O 3.29Å; L35-K114 HydrophobicContact CB-CB 4.44Å; L35-K114 PolarHBondContact N-O 3.19Å; L35-K114 PolarHBondContact O-N 2.04Å; V59-K114 HydrophobicContact CG1-CB 4.4Å; T61-K114 WeakPolarHBondContact O-CA 3.39Å; D66-K114 WeakPolarHBondContact O-CD 3.47Å; D66-K114 WeakPolarHBondContact O-CE 3.37Å; D66-K114 PolarHBondContact O-NZ 2.65Å; D66-K114 IonicContact OD1-NZ 3.52Å; D66-K114 PolarHBondContact OD1-NZ 3.31Å; N106-K114 HydrophobicContact CB-CD 4.23Å; N106-K114 VanDerWaalsContact CG-CE 3.47Å; N106-K114 WeakPolarHBondContact OD1-CD 3.23Å; N106-K114 WeakPolarHBondContact OD1-CE 3.5Å; S109-K114 WeakPolarHBondContact OG-CE 3.42Å; K114-V116 HydrophobicContact CB-CG2 4.36Å
115	T	96.9	Very high	91.9	Very high	23 Å²	23	51 Å²	51	14%	0.141	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.7	167.4	-55.9	0	0	0	0	108	T32 F33 I60 T61	T32-T115 HydrophobicContact CG2-CG2 3.55Å; F33-T115 WeakPolarHBondContact O-CA 3.12Å; I60-T115 HydrophobicContact CB-CG2 4.44Å; I60-T115 HydrophobicContact CD1-CG2 4.36Å; I60-T115 PolarHBondContact N-O 3.09Å; T61-T115 PolarHBondContact O-N 3.42Å; T61-T115 VanDerWaalsContact O-N 3.12Å; T61-T115 VanDerWaalsContact OG1-CB 3.23Å; T61-T115 WeakPolarHBondContact OG1-CB 3.39Å; T61-T115 PolarHBondContact OG1-OG1 2.89Å
116	V	97.4	Very high	90.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.3	-175.9	-176.3	0	0	0	0	108.7	T32 F33 V59 F104 K114	T32-V116 WeakPolarHBondContact CA-O 3.31Å; F33-V116 HydrophobicContact CD1-CB 4.38Å; F33-V116 WeakPolarHBondContact CD1-O 3.37Å; F33-V116 HydrophobicContact CE1-CB 3.78Å; F33-V116 HydrophobicContact CE1-CG1 4.07Å; F33-V116 HydrophobicContact CZ-CB 4.02Å; F33-V116 HydrophobicContact CZ-CG1 4.46Å; F33-V116 PolarHBondContact N-O 3.41Å; F33-V116 PolarHBondContact O-N 3.49Å; V59-V116 HydrophobicContact CG2-CG2 4.4Å; F104-V116 HydrophobicContact CD1-CG1 4.14Å; F104-V116 HydrophobicContact CE1-CG1 4.17Å; F104-V116 HydrophobicContact CG-CG1 4.46Å; K114-V116 HydrophobicContact CB-CG2 4.36Å
117	Y	96.9	Very high	88.8	Confident	20 Å²	20	59.5 Å²	59.5	8%	0.078	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.2	165	167.3	-91.9	0	0	0	108.8	E30 L31 T32 Y57 Q58 D119 T161 L165	E30-Y117 HydrophobicContact CB-CE2 4.08Å; E30-Y117 PolarHBondContact OE2-OH 3.23Å; L31-Y117 WeakPolarHBondContact O-CA 3.34Å; T32-Y117 WeakPolarHBondContact OG1-CD2 3.29Å; Y57-Y117 CarbonylContact C-O 3.59Å; Y57-Y117 VanDerWaalsContact CA-O 3.26Å; Y57-Y117 WeakPolarHBondContact CA-O 3.42Å; Y57-Y117 WeakPolarHBondContact CB-O 3.36Å; Q58-Y117 PolarHBondContact N-O 3.06Å; Q58-Y117 PolarHBondContact O-N 3.06Å; Y117-D119 HydrophobicContact CE1-CB 4.38Å; Y117-T161 WeakPolarHBondContact OH-CG2 3.29Å; Y117-L165 HydrophobicContact CD1-CD1 3.49Å; Y117-L165 VanDerWaalsContact CD1-CD1 3.49Å; Y117-L165 HydrophobicContact CD1-CD2 3.73Å; Y117-L165 HydrophobicContact CD1-CG 4.25Å; Y117-L165 HydrophobicContact CD2-CD2 3.88Å; Y117-L165 HydrophobicContact CE1-CD1 3.48Å; Y117-L165 VanDerWaalsContact CE1-CD1 3.48Å; Y117-L165 HydrophobicContact CE1-CD2 4.23Å; Y117-L165 HydrophobicContact CE1-CG 4.41Å; Y117-L165 HydrophobicContact CE2-CD2 4.34Å; Y117-L165 HydrophobicContact CG-CD1 4.2Å; Y117-L165 HydrophobicContact CG-CD2 3.52Å
118	F	96.5	Very high	87.4	Confident	12 Å²	12	58 Å²	58	5%	0.053	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.7	166.7	73.6	-93.4	0	0	0	111.5	E30 L31 F33 F43 L55 D56 F102 F104 F120	E30-F118 VanDerWaalsContact CA-O 3.31Å; E30-F118 WeakPolarHBondContact CA-O 3.43Å; L31-F118 HydrophobicContact CB-CD1 4.38Å; L31-F118 HydrophobicContact CB-CE1 3.7Å; L31-F118 HydrophobicContact CB-CE2 4.38Å; L31-F118 HydrophobicContact CB-CZ 3.7Å; L31-F118 HydrophobicContact CD2-CE1 3.97Å; L31-F118 HydrophobicContact CD2-CZ 4.1Å; L31-F118 HydrophobicContact CG-CE1 4.17Å; L31-F118 HydrophobicContact CG-CZ 4.44Å; L31-F118 PolarHBondContact N-O 2.9Å; L31-F118 PolarHBondContact O-N 3.45Å; F33-F118 AromaticContact CD1-CD1 4Å; F33-F118 HydrophobicContact CD1-CD1 4Å; F33-F118 AromaticContact CD1-CE1 3.95Å; F33-F118 HydrophobicContact CD1-CE1 3.95Å; F33-F118 AromaticContact CE1-CD1 3.79Å; F33-F118 HydrophobicContact CE1-CD1 3.79Å; F33-F118 AromaticContact CE1-CE1 3.98Å; F33-F118 HydrophobicContact CE1-CE1 3.98Å; F43-F118 HydrophobicContact CD1-CE1 4.31Å; F43-F118 AromaticContact CD1-CZ 3.99Å; F43-F118 HydrophobicContact CD1-CZ 3.99Å; F43-F118 AromaticContact CD2-CE1 3.87Å; F43-F118 HydrophobicContact CD2-CE1 3.87Å; F43-F118 HydrophobicContact CD2-CZ 4.03Å; F43-F118 HydrophobicContact CE1-CE1 4.03Å; F43-F118 HydrophobicContact CE1-CZ 4.09Å; F43-F118 HydrophobicContact CE2-CD1 4.35Å; F43-F118 AromaticContact CE2-CE1 3.56Å; F43-F118 HydrophobicContact CE2-CE1 3.56Å; F43-F118 HydrophobicContact CE2-CZ 4.13Å; F43-F118 HydrophobicContact CG-CE1 4.24Å; F43-F118 AromaticContact CG-CZ 3.96Å; F43-F118 HydrophobicContact CG-CZ 3.96Å; F43-F118 AromaticContact CZ-CE1 3.65Å; F43-F118 HydrophobicContact CZ-CE1 3.65Å; F43-F118 HydrophobicContact CZ-CZ 4.16Å; L55-F118 HydrophobicContact CD1-CB 4.23Å; L55-F118 HydrophobicContact CD1-CD2 4.42Å; D56-F118 CarbonylContact O-C 3.59Å; D56-F118 WeakPolarHBondContact O-CA 3.34Å; F102-F118 AromaticContact CE2-CD2 3.73Å; F102-F118 HydrophobicContact CE2-CD2 3.73Å; F102-F118 HydrophobicContact CE2-CE1 4.42Å; F102-F118 AromaticContact CE2-CE2 3.52Å; F102-F118 HydrophobicContact CE2-CE2 3.52Å; F102-F118 HydrophobicContact CE2-CG 4.3Å; F102-F118 AromaticContact CE2-CZ 3.88Å; F102-F118 HydrophobicContact CE2-CZ 3.88Å; F102-F118 HydrophobicContact CZ-CD2 4.21Å; F102-F118 AromaticContact CZ-CE2 3.67Å; F102-F118 HydrophobicContact CZ-CE2 3.67Å; F102-F118 HydrophobicContact CZ-CZ 4.16Å; F104-F118 HydrophobicContact CE2-CB 4.1Å; F104-F118 AromaticContact CE2-CD1 3.83Å; F104-F118 HydrophobicContact CE2-CD1 3.83Å; F104-F118 HydrophobicContact CE2-CE1 4.47Å; F104-F118 HydrophobicContact CE2-CG 4.03Å; F104-F118 HydrophobicContact CZ-CB 3.74Å; F104-F118 HydrophobicContact CZ-CD1 4.33Å; F104-F118 HydrophobicContact CZ-CG 4.18Å; F118-F120 HydrophobicContact CD2-CB 4.37Å; F118-F120 HydrophobicContact CE2-CB 4.43Å
119	D	94.4	Very high	86.3	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.064	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	169.7	-178.8	16.2	0	0	0	108.7	A29 E30 L55 D56 Y117 Q121	A29-D119 WeakPolarHBondContact O-CA 3.44Å; E30-D119 HydrophobicContact CG-CB 3.83Å; E30-D119 WeakPolarHBondContact CG-OD1 3.48Å; L55-D119 WeakPolarHBondContact CA-O 3.35Å; D56-D119 HydrophobicContact CB-CB 4.38Å; D56-D119 PolarHBondContact N-O 2.82Å; D56-D119 PolarHBondContact O-N 3.46Å; Y117-D119 HydrophobicContact CE1-CB 4.38Å; D119-Q121 WeakPolarHBondContact OD1-CG 3.43Å; D119-Q121 PolarHBondContact OD2-NE2 3.39Å
120	F	94.1	Very high	84.8	Confident	10 Å²	10	63 Å²	63	4%	0.044	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	100	178.1	-167.7	-90	0	0	0	110.1	A29 E45 V47 F53 S54 L55 F102 F118 V122	A29-F120 WeakPolarHBondContact CB-O 3.49Å; A29-F120 PolarHBondContact O-N 2.76Å; E45-F120 HydrophobicContact CB-CD1 3.85Å; E45-F120 HydrophobicContact CB-CE1 3.52Å; E45-F120 HydrophobicContact CB-CZ 4.32Å; E45-F120 HydrophobicContact CG-CD1 3.81Å; E45-F120 HydrophobicContact CG-CE1 3.64Å; V47-F120 HydrophobicContact CG2-CE1 4.39Å; F53-F120 HydrophobicContact CB-CE1 4.36Å; F53-F120 HydrophobicContact CB-CZ 4.16Å; F53-F120 HydrophobicContact CD2-CE1 4.42Å; F53-F120 AromaticContact CD2-CE2 3.6Å; F53-F120 HydrophobicContact CD2-CE2 3.6Å; F53-F120 AromaticContact CD2-CZ 3.46Å; F53-F120 HydrophobicContact CD2-CZ 3.46Å; F53-F120 VanDerWaalsContact CD2-CZ 3.46Å; F53-F120 AromaticContact CE2-CE2 3.95Å; F53-F120 HydrophobicContact CE2-CE2 3.95Å; F53-F120 AromaticContact CE2-CZ 3.98Å; F53-F120 HydrophobicContact CE2-CZ 3.98Å; F53-F120 HydrophobicContact CG-CE2 4.45Å; F53-F120 AromaticContact CG-CZ 3.89Å; F53-F120 HydrophobicContact CG-CZ 3.89Å; S54-F120 CarbonylContact O-C 3.47Å; S54-F120 WeakPolarHBondContact O-CA 3.49Å; L55-F120 HydrophobicContact CB-CD2 3.97Å; L55-F120 HydrophobicContact CB-CE2 4.32Å; L55-F120 HydrophobicContact CD1-CD2 4.01Å; L55-F120 HydrophobicContact CG-CD2 4.5Å; F102-F120 AromaticContact CD1-CD2 3.82Å; F102-F120 HydrophobicContact CD1-CD2 3.82Å; F102-F120 AromaticContact CD1-CE2 3.81Å; F102-F120 HydrophobicContact CD1-CE2 3.81Å; F102-F120 HydrophobicContact CD1-CG 4.41Å; F102-F120 HydrophobicContact CD1-CZ 4.41Å; F102-F120 HydrophobicContact CE1-CB 4.28Å; F102-F120 HydrophobicContact CE1-CD1 4.26Å; F102-F120 AromaticContact CE1-CD2 3.66Å; F102-F120 HydrophobicContact CE1-CD2 3.66Å; F102-F120 HydrophobicContact CE1-CE2 4Å; F102-F120 AromaticContact CE1-CG 3.8Å; F102-F120 HydrophobicContact CE1-CG 3.8Å; F102-F120 HydrophobicContact CE1-CZ 4.44Å; F102-F120 HydrophobicContact CE2-CD2 4.5Å; F102-F120 HydrophobicContact CG-CD2 4.31Å; F102-F120 HydrophobicContact CG-CE2 4.44Å; F102-F120 HydrophobicContact CZ-CB 3.95Å; F102-F120 HydrophobicContact CZ-CD2 4.02Å; F102-F120 AromaticContact CZ-CG 3.99Å; F102-F120 HydrophobicContact CZ-CG 3.99Å; F118-F120 HydrophobicContact CD2-CB 4.37Å; F118-F120 HydrophobicContact CE2-CB 4.43Å; F120-V122 HydrophobicContact CD1-CG2 3.75Å; F120-V122 HydrophobicContact CE1-CG2 3.39Å; F120-V122 HydrophobicContact CZ-CG2 4.5Å
121	Q	91.2	Very high	83.5	Confident	65 Å²	65	62.3 Å²	62.3	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.6	-177.4	-59.4	-174.1	22.4	0	0	110.7	F53 S54 D119	F53-Q121 CarbonylContact C-O 3.56Å; F53-Q121 WeakPolarHBondContact CA-O 3.35Å; F53-Q121 VanDerWaalsContact CB-O 3.29Å; F53-Q121 WeakPolarHBondContact CB-O 3.36Å; S54-Q121 PolarHBondContact N-O 3.06Å; S54-Q121 PolarHBondContact O-N 2.95Å; D119-Q121 WeakPolarHBondContact OD1-CG 3.43Å; D119-Q121 PolarHBondContact OD2-NE2 3.39Å
122	V	91.4	Very high	82	Confident	58 Å²	58	55.7 Å²	55.7	35%	0.352	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.5	175.9	-177	0	0	0	0	110.8	E45 V47 V51 F53 F120	E45-V122 HydrophobicContact CG-CG2 3.74Å; V47-V122 HydrophobicContact CB-CG1 4.47Å; V47-V122 HydrophobicContact CG1-CG1 4.02Å; V47-V122 HydrophobicContact CG2-CG1 4.14Å; V47-V122 HydrophobicContact CG2-CG2 4.01Å; V51-V122 HydrophobicContact CG1-CG1 4.08Å; F53-V122 HydrophobicContact CB-CG2 4.31Å; F120-V122 HydrophobicContact CD1-CG2 3.75Å; F120-V122 HydrophobicContact CE1-CG2 3.39Å; F120-V122 HydrophobicContact CZ-CG2 4.5Å
123	G	85.1	Confident	80.4	Confident	25 Å²	25	57.2 Å²	57.2	26%	0.258	33%	0.334	S	S	.	.	S	Bend	trans	79.4	174.3	179.1	0	0	0	0	0	113.6	V51 K52	V51-G123 VanDerWaalsContact CG1-CA 3.41Å; K52-G123 VanDerWaalsContact O-CA 3.32Å; K52-G123 WeakPolarHBondContact O-CA 3.38Å; K52-G123 PolarHBondContact O-N 3.03Å
124	D	77.3	Confident	78.6	Confident	137 Å²	137	59.4 Å²	59.4	73%	0.733	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-80.3	145	168.8	-60.6	-47.3	0	0	0	108.6
125	E	69.4	Low	76.8	Confident	110 Å²	110	64.3 Å²	64.3	51%	0.514	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-55.8	130.5	175.8	-172.6	133.7	-156.2	0	0	110	K154	E125-K154 IonicContact OE2-NZ 3.92Å; E125-K154 PolarHBondContact OE2-NZ 3.36Å
126	P	65.3	Low	74.8	Confident	104 Å²	104	70.5 Å²	70.5	68%	0.675	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-57.1	140.1	-176.7	19	-32.1	0	0	0	111.3	I128	P126-I128 PolarHBondContact O-N 3.39Å
127	P	65.1	Low	73.2	Confident	81 Å²	81	74.9 Å²	74.9	53%	0.526	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.5	132.9	-179.8	22.9	-31.1	0	0	0	110.6	L129 M132	P127-L129 PolarHBondContact O-N 2.89Å; P127-L129 VanDerWaalsContact O-N 3.14Å; P127-M132 HydrophobicContact CB-CB 4.43Å; P127-M132 HydrophobicContact CB-CE 4.37Å
128	I	67.4	Low	71.8	Confident	68 Å²	68	78.4 Å²	78.4	35%	0.349	47%	0.465	S	S	.	.	S	Bend	trans	-59	-30.4	-174.2	-39	156.2	0	0	0	112	P126 V147 H150	P126-I128 PolarHBondContact O-N 3.39Å; I128-V147 HydrophobicContact CD1-CG2 4.47Å; I128-H150 HydrophobicContact CD1-CB 3.18Å; I128-H150 HydrophobicContact CG1-CB 4.14Å
129	L	69.4	Low	70.5	Confident	46 Å²	46	81.5 Å²	81.5	24%	0.241	48%	0.481	C	S	.	.	S	Bend	trans	-108.4	126.1	178.8	-60.8	167.7	0	0	0	109	P127 D131 M132 E143	P127-L129 PolarHBondContact O-N 2.89Å; P127-L129 VanDerWaalsContact O-N 3.14Å; L129-D131 PolarHBondContact O-N 2.98Å; L129-M132 HydrophobicContact CB-CG 4.02Å; L129-M132 HydrophobicContact CD1-CG 4.14Å; L129-M132 PolarHBondContact O-N 3.17Å; L129-E143 HydrophobicContact CD1-CB 3.73Å; L129-E143 HydrophobicContact CD1-CG 3.6Å
130	P	60.8	Low	69.9	Low	133 Å²	133	84.5 Å²	84.5	86%	0.864	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	-174.2	23.5	-33.1	0	0	0	114.1
131	D	61.5	Low	69.3	Low	74 Å²	74	92.8 Å²	92.8	40%	0.396	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-0.6	-175.9	-154.9	15.8	0	0	0	113.6	L129 G133 R135	L129-D131 PolarHBondContact O-N 2.98Å; D131-G133 PolarHBondContact O-N 3.01Å; D131-R135 HydrophobicContact CB-CG 4.39Å; D131-R135 VanDerWaalsContact O-CB 3.31Å; D131-R135 WeakPolarHBondContact O-CB 3.28Å; D131-R135 VanDerWaalsContact O-CG 3.27Å; D131-R135 WeakPolarHBondContact O-CG 3.48Å; D131-R135 PolarHBondContact O-N 3.49Å; D131-R135 WeakPolarHBondContact OD2-CD 3.37Å; D131-R135 IonicContact OD2-CZ 3.32Å; D131-R135 VanDerWaalsContact OD2-CZ 3.25Å; D131-R135 IonicContact OD2-NE 2.65Å; D131-R135 PolarHBondContact OD2-NE 2.86Å; D131-R135 IonicContact OD2-NH2 3.07Å; D131-R135 PolarHBondContact OD2-NH2 3.15Å
132	M	59.1	Low	68.9	Low	57 Å²	57	97.5 Å²	97.5	28%	0.281	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-29.3	-179	-91.4	-140	-58.4	0	0	113.8	P127 L129 L139 V147	P127-M132 HydrophobicContact CB-CB 4.43Å; P127-M132 HydrophobicContact CB-CE 4.37Å; L129-M132 HydrophobicContact CB-CG 4.02Å; L129-M132 HydrophobicContact CD1-CG 4.14Å; L129-M132 PolarHBondContact O-N 3.17Å; M132-L139 HydrophobicContact CG-CD2 3.66Å; M132-L139 HydrophobicContact SD-CD1 3.79Å; M132-L139 HydrophobicContact SD-CD2 3.41Å; M132-L139 WeakPolarHBondContact SD-CD2 3.28Å; M132-L139 HydrophobicContact SD-CG 4.22Å; M132-V147 HydrophobicContact CE-CG2 3.41Å; M132-V147 VanDerWaalsContact CE-CG2 3.41Å; M132-V147 HydrophobicContact SD-CG2 3.8Å
133	G	57	Low	68.4	Low	64 Å²	64	96.5 Å²	96.5	66%	0.66	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-22.5	-178.3	0	0	0	0	0	114.7	D131	D131-G133 PolarHBondContact O-N 3.01Å
134	N	57.5	Low	68.2	Low	148 Å²	148	98 Å²	98	79%	0.791	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-6.6	-173.1	-75.9	-21.1	0	0	0	114.1
135	R	58.8	Low	68.7	Low	103 Å²	103	93.7 Å²	93.7	39%	0.389	55%	0.545	S	S	.	.			trans	-78.6	121.8	175.8	-88.1	-179.7	167.6	-177.2	5.4	111.7	D131 T137 E143	D131-R135 HydrophobicContact CB-CG 4.39Å; D131-R135 VanDerWaalsContact O-CB 3.31Å; D131-R135 WeakPolarHBondContact O-CB 3.28Å; D131-R135 VanDerWaalsContact O-CG 3.27Å; D131-R135 WeakPolarHBondContact O-CG 3.48Å; D131-R135 PolarHBondContact O-N 3.49Å; D131-R135 WeakPolarHBondContact OD2-CD 3.37Å; D131-R135 IonicContact OD2-CZ 3.32Å; D131-R135 VanDerWaalsContact OD2-CZ 3.25Å; D131-R135 IonicContact OD2-NE 2.65Å; D131-R135 PolarHBondContact OD2-NE 2.86Å; D131-R135 IonicContact OD2-NH2 3.07Å; D131-R135 PolarHBondContact OD2-NH2 3.15Å; R135-T137 VanDerWaalsContact C-N 3.25Å; R135-E143 IonicContact CZ-OE1 3.25Å; R135-E143 IonicContact NH1-OE1 2.75Å; R135-E143 PolarHBondContact NH1-OE1 3.36Å; R135-E143 IonicContact NH1-OE2 3.58Å
136	V	55.2	Low	69.5	Low	153 Å²	153	90.9 Å²	90.9	93%	0.927	54%	0.537	S	S	*	.			trans	-81.6	-8.9	167.3	-174.4	0	0	0	0	111.4
137	T	64.5	Low	70.4	Confident	93 Å²	93	87.1 Å²	87.1	57%	0.571	51%	0.512	S	S	*	.	S	Bend	trans	-85.5	141.2	-179.6	50.5	0	0	0	0	111.9	R135	R135-T137 VanDerWaalsContact C-N 3.25Å
138	A	66.4	Low	71.5	Confident	94 Å²	94	87.2 Å²	87.2	78%	0.777	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-54.9	140.6	173.2	0	0	0	0	0	111.4
139	L	70.4	Confident	72.5	Confident	76 Å²	76	88.9 Å²	88.9	40%	0.398	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-58.5	141.5	176.4	-66.6	168.4	0	0	0	110.7	M132 E143	M132-L139 HydrophobicContact CG-CD2 3.66Å; M132-L139 HydrophobicContact SD-CD1 3.79Å; M132-L139 HydrophobicContact SD-CD2 3.41Å; M132-L139 WeakPolarHBondContact SD-CD2 3.28Å; M132-L139 HydrophobicContact SD-CG 4.22Å; L139-E143 HydrophobicContact CB-CB 4.19Å; L139-E143 HydrophobicContact CD2-CB 3.97Å
140	T	79.9	Confident	73.4	Confident	76 Å²	76	89.6 Å²	89.6	47%	0.466	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-66.7	159	168.8	67.5	0	0	0	0	110.2	M142 E143 S144	T140-M142 PolarHBondContact O-N 3.34Å; T140-M142 VanDerWaalsContact O-N 3.12Å; T140-E143 PolarHBondContact N-OE2 3.14Å; T140-E143 PolarHBondContact O-N 3.31Å; T140-E143 VanDerWaalsContact O-N 3.1Å; T140-E143 WeakPolarHBondContact OG1-CG 3.45Å; T140-E143 PolarHBondContact OG1-N 3.4Å; T140-E143 PolarHBondContact OG1-OE2 3.3Å; T140-S144 PolarHBondContact O-N 3.45Å
141	Q	81.6	Confident	74.6	Confident	184 Å²	184	88.9 Å²	88.9	86%	0.86	51%	0.507	S	S	*	.	H	α-helix	trans	-54.6	-34.3	177.8	-172.7	175.9	48.5	0	0	112.4	A145	Q141-A145 WeakPolarHBondContact O-CB 3.43Å; Q141-A145 PolarHBondContact O-N 3.44Å; Q141-A145 VanDerWaalsContact O-N 3.14Å
142	M	83.4	Confident	75.9	Confident	164 Å²	164	87.9 Å²	87.9	81%	0.808	51%	0.509	S	S	*	.	H	α-helix	trans	-75.5	-38.3	179.3	-161.9	159	105.3	0	0	112.5	T140 A145 C146	T140-M142 PolarHBondContact O-N 3.34Å; T140-M142 VanDerWaalsContact O-N 3.12Å; M142-A145 PolarHBondContact O-N 3Å; M142-C146 WeakPolarHBondContact O-CB 3.25Å; M142-C146 PolarHBondContact O-N 2.9Å
143	E	81.1	Confident	77.4	Confident	36 Å²	36	89.8 Å²	89.8	17%	0.168	52%	0.52	C	S	.	.	H	α-helix	trans	-66	-43.9	175.5	-68.7	168.8	160.5	0	0	111.2	L129 R135 L139 T140 A145 C146 V147	L129-E143 HydrophobicContact CD1-CB 3.73Å; L129-E143 HydrophobicContact CD1-CG 3.6Å; R135-E143 IonicContact CZ-OE1 3.25Å; R135-E143 IonicContact NH1-OE1 2.75Å; R135-E143 PolarHBondContact NH1-OE1 3.36Å; R135-E143 IonicContact NH1-OE2 3.58Å; L139-E143 HydrophobicContact CB-CB 4.19Å; L139-E143 HydrophobicContact CD2-CB 3.97Å; T140-E143 PolarHBondContact N-OE2 3.14Å; T140-E143 PolarHBondContact O-N 3.31Å; T140-E143 VanDerWaalsContact O-N 3.1Å; T140-E143 WeakPolarHBondContact OG1-CG 3.45Å; T140-E143 PolarHBondContact OG1-N 3.4Å; T140-E143 PolarHBondContact OG1-OE2 3.3Å; E143-A145 PolarHBondContact O-N 3.04Å; E143-C146 WeakPolarHBondContact O-CB 3.23Å; E143-C146 PolarHBondContact O-N 3.47Å; E143-V147 WeakPolarHBondContact O-CG2 3.41Å; E143-V147 PolarHBondContact O-N 3.47Å
144	S	81.9	Confident	78.8	Confident	58 Å²	58	89.9 Å²	89.9	41%	0.406	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.5	176.4	0	0	0	0	112	T140 C146 V147 T148	T140-S144 PolarHBondContact O-N 3.45Å; S144-C146 VanDerWaalsContact C-N 3.29Å; S144-C146 PolarHBondContact O-N 3.38Å; S144-V147 PolarHBondContact O-N 3.4Å; S144-T148 PolarHBondContact O-N 3.36Å; S144-T148 PolarHBondContact O-OG1 2.89Å; S144-T148 VanDerWaalsContact O-OG1 3.11Å
145	A	86.6	Confident	80.2	Confident	46 Å²	46	87 Å²	87	38%	0.38	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-38.3	175.8	0	0	0	0	0	112.3	Q141 M142 E143 T148 I149	Q141-A145 WeakPolarHBondContact O-CB 3.43Å; Q141-A145 PolarHBondContact O-N 3.44Å; Q141-A145 VanDerWaalsContact O-N 3.14Å; M142-A145 PolarHBondContact O-N 3Å; E143-A145 PolarHBondContact O-N 3.04Å; A145-T148 PolarHBondContact O-N 2.82Å; A145-I149 WeakPolarHBondContact O-CB 3.37Å; A145-I149 WeakPolarHBondContact O-CD1 2.99Å; A145-I149 VanDerWaalsContact O-CG1 3.24Å; A145-I149 WeakPolarHBondContact O-CG1 3.49Å; A145-I149 PolarHBondContact O-N 3.25Å
146	C	86.5	Confident	81.8	Confident	50 Å²	50	85.4 Å²	85.4	34%	0.338	49%	0.491	S	S	.	.	H	α-helix	trans	-63.2	-45.5	176.8	-175.9	0	0	0	0	112	M142 E143 S144 I149 H150	M142-C146 WeakPolarHBondContact O-CB 3.25Å; M142-C146 PolarHBondContact O-N 2.9Å; E143-C146 WeakPolarHBondContact O-CB 3.23Å; E143-C146 PolarHBondContact O-N 3.47Å; S144-C146 VanDerWaalsContact C-N 3.29Å; S144-C146 PolarHBondContact O-N 3.38Å; C146-I149 PolarHBondContact O-N 2.93Å; C146-H150 PolarHBondContact O-N 2.9Å
147	V	84.7	Confident	83.4	Confident	25 Å²	25	82.7 Å²	82.7	15%	0.152	47%	0.471	C	S	.	.	H	α-helix	trans	-60.8	-47.7	175.9	175.9	0	0	0	0	111.1	I128 M132 E143 S144 I149 H150 E151	I128-V147 HydrophobicContact CD1-CG2 4.47Å; M132-V147 HydrophobicContact CE-CG2 3.41Å; M132-V147 VanDerWaalsContact CE-CG2 3.41Å; M132-V147 HydrophobicContact SD-CG2 3.8Å; E143-V147 WeakPolarHBondContact O-CG2 3.41Å; E143-V147 PolarHBondContact O-N 3.47Å; S144-V147 PolarHBondContact O-N 3.4Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.49Å; V147-H150 PolarHBondContact O-N 2.98Å; V147-H150 VanDerWaalsContact O-N 3.17Å; V147-E151 PolarHBondContact O-N 3.34Å
148	T	87.6	Confident	84.5	Confident	83 Å²	83	82 Å²	82	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-43	177.6	-56.5	0	0	0	0	112.3	S144 A145 H150 A152	S144-T148 PolarHBondContact O-N 3.36Å; S144-T148 PolarHBondContact O-OG1 2.89Å; S144-T148 VanDerWaalsContact O-OG1 3.11Å; A145-T148 PolarHBondContact O-N 2.82Å; T148-H150 VanDerWaalsContact C-N 3.33Å; T148-H150 PolarHBondContact O-N 3.12Å; T148-A152 WeakPolarHBondContact O-CB 3.47Å; T148-A152 PolarHBondContact O-N 3.33Å
149	I	89.6	Confident	85.6	Confident	103 Å²	103	80 Å²	80	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-64.4	-40.5	178.4	-71.1	165.8	0	0	0	110.9	A145 C146 V147 A152 L153	A145-I149 WeakPolarHBondContact O-CB 3.37Å; A145-I149 WeakPolarHBondContact O-CD1 2.99Å; A145-I149 VanDerWaalsContact O-CG1 3.24Å; A145-I149 WeakPolarHBondContact O-CG1 3.49Å; A145-I149 PolarHBondContact O-N 3.25Å; C146-I149 PolarHBondContact O-N 2.93Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.49Å; I149-A152 PolarHBondContact O-N 3Å; I149-L153 HydrophobicContact CG2-CD1 3.91Å; I149-L153 HydrophobicContact CG2-CG 4.33Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 WeakPolarHBondContact O-CG 3.34Å; I149-L153 PolarHBondContact O-N 3.31Å
150	H	86.7	Confident	86.6	Confident	61 Å²	61	80.6 Å²	80.6	28%	0.282	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-44.2	179.6	175.9	82.8	0	0	0	112.6	I128 C146 V147 T148 A152 L153 K154	I128-H150 HydrophobicContact CD1-CB 3.18Å; I128-H150 HydrophobicContact CG1-CB 4.14Å; C146-H150 PolarHBondContact O-N 2.9Å; V147-H150 PolarHBondContact O-N 2.98Å; V147-H150 VanDerWaalsContact O-N 3.17Å; T148-H150 VanDerWaalsContact C-N 3.33Å; T148-H150 PolarHBondContact O-N 3.12Å; H150-A152 VanDerWaalsContact C-N 3.28Å; H150-A152 PolarHBondContact O-N 2.97Å; H150-L153 PolarHBondContact O-N 2.92Å; H150-L153 VanDerWaalsContact O-N 3.15Å; H150-K154 WeakPolarHBondContact O-CB 3.35Å; H150-K154 PolarHBondContact O-N 3.22Å
151	E	86.3	Confident	87.1	Confident	118 Å²	118	78.2 Å²	78.2	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-59.5	-40.8	173.9	-71.1	176.8	175.7	0	0	111.6	V147 K154 T155	V147-E151 PolarHBondContact O-N 3.34Å; E151-K154 PolarHBondContact O-N 3.38Å; E151-T155 PolarHBondContact O-N 2.93Å; E151-T155 PolarHBondContact O-OG1 2.81Å
152	A	89.5	Confident	87.4	Confident	54 Å²	54	73.1 Å²	73.1	45%	0.446	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-43	174.2	0	0	0	0	0	112	T148 I149 H150 T155 V156	T148-A152 WeakPolarHBondContact O-CB 3.47Å; T148-A152 PolarHBondContact O-N 3.33Å; I149-A152 PolarHBondContact O-N 3Å; H150-A152 VanDerWaalsContact C-N 3.28Å; H150-A152 PolarHBondContact O-N 2.97Å; A152-T155 PolarHBondContact O-N 3.03Å; A152-V156 WeakPolarHBondContact O-CG2 3.49Å; A152-V156 PolarHBondContact O-N 3.14Å
153	L	90.3	Very high	87.8	Confident	97 Å²	97	73.1 Å²	73.1	51%	0.508	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-41.3	176.6	-77.4	171.7	0	0	0	112.1	I149 H150 T155 V156 I157	I149-L153 HydrophobicContact CG2-CD1 3.91Å; I149-L153 HydrophobicContact CG2-CG 4.33Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 WeakPolarHBondContact O-CG 3.34Å; I149-L153 PolarHBondContact O-N 3.31Å; H150-L153 PolarHBondContact O-N 2.92Å; H150-L153 VanDerWaalsContact O-N 3.15Å; L153-T155 PolarHBondContact O-N 3.3Å; L153-V156 WeakPolarHBondContact O-CB 3.33Å; L153-V156 PolarHBondContact O-N 2.97Å; L153-V156 VanDerWaalsContact O-N 3.16Å; L153-I157 WeakPolarHBondContact O-CG1 3.5Å; L153-I157 PolarHBondContact O-N 2.87Å
154	K	85.4	Confident	88.4	Confident	65 Å²	65	78.8 Å²	78.8	28%	0.283	42%	0.418	S	S	.	.	H	α-helix	trans	-57.2	-50	174.5	-175.4	178	179.5	70.7	0	110.7	E125 H150 E151 V156 I157 D158	E125-K154 IonicContact OE2-NZ 3.92Å; E125-K154 PolarHBondContact OE2-NZ 3.36Å; H150-K154 WeakPolarHBondContact O-CB 3.35Å; H150-K154 PolarHBondContact O-N 3.22Å; E151-K154 PolarHBondContact O-N 3.38Å; K154-V156 PolarHBondContact O-N 3.31Å; K154-I157 PolarHBondContact O-N 2.91Å; K154-D158 VanDerWaalsContact O-CG 3.27Å; K154-D158 PolarHBondContact O-N 3.05Å
155	T	88.1	Confident	88.8	Confident	87 Å²	87	77 Å²	77	53%	0.534	40%	0.404	S	S	.	.	H	α-helix	trans	-56.9	-39.6	176.5	-54.1	0	0	0	0	112.2	E151 A152 L153 S159	E151-T155 PolarHBondContact O-N 2.93Å; E151-T155 PolarHBondContact O-OG1 2.81Å; A152-T155 PolarHBondContact O-N 3.03Å; L153-T155 PolarHBondContact O-N 3.3Å; T155-S159 WeakPolarHBondContact O-CB 3.47Å; T155-S159 PolarHBondContact O-N 2.88Å; T155-S159 PolarHBondContact O-OG 3.04Å
156	V	92.7	Very high	89.1	Confident	70 Å²	70	81.4 Å²	81.4	42%	0.424	41%	0.41	S	S	.	.	H	α-helix	trans	-68.2	-42.2	177.1	169.5	0	0	0	0	111.5	A152 L153 K154 S159 Q160	A152-V156 WeakPolarHBondContact O-CG2 3.49Å; A152-V156 PolarHBondContact O-N 3.14Å; L153-V156 WeakPolarHBondContact O-CB 3.33Å; L153-V156 PolarHBondContact O-N 2.97Å; L153-V156 VanDerWaalsContact O-N 3.16Å; K154-V156 PolarHBondContact O-N 3.31Å; V156-S159 PolarHBondContact O-N 3.16Å; V156-Q160 HydrophobicContact CG1-CG 4.41Å; V156-Q160 WeakPolarHBondContact O-CB 3.38Å; V156-Q160 VanDerWaalsContact O-CG 3.31Å; V156-Q160 WeakPolarHBondContact O-CG 3.31Å; V156-Q160 PolarHBondContact O-N 3.02Å
157	I	89	Confident	89.5	Confident	96 Å²	96	85 Å²	85	49%	0.492	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-50.4	177.6	-70.1	165.5	0	0	0	109.9	L153 K154 S159 Q160 T161	L153-I157 WeakPolarHBondContact O-CG1 3.5Å; L153-I157 PolarHBondContact O-N 2.87Å; K154-I157 PolarHBondContact O-N 2.91Å; I157-S159 VanDerWaalsContact C-N 3.26Å; I157-S159 PolarHBondContact O-N 2.77Å; I157-Q160 WeakPolarHBondContact O-CB 3.24Å; I157-Q160 PolarHBondContact O-N 3.39Å; I157-T161 PolarHBondContact O-N 2.76Å; I157-T161 PolarHBondContact O-OG1 3.16Å
158	D	86.8	Confident	89.9	Confident	78 Å²	78	85.9 Å²	85.9	42%	0.417	43%	0.433	S	S	.	.	H	α-helix	trans	-57.3	-43.5	178.5	-61.7	-13.7	0	0	0	110.9	K154 T161 H162	K154-D158 VanDerWaalsContact O-CG 3.27Å; K154-D158 PolarHBondContact O-N 3.05Å; D158-T161 PolarHBondContact O-N 3.45Å; D158-H162 PolarHBondContact O-N 2.9Å
159	S	89.1	Confident	90.1	Very high	52 Å²	52	83 Å²	83	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.6	-61	0	0	0	0	112.1	T155 V156 I157 T161 H162 Y163	T155-S159 WeakPolarHBondContact O-CB 3.47Å; T155-S159 PolarHBondContact O-N 2.88Å; T155-S159 PolarHBondContact O-OG 3.04Å; V156-S159 PolarHBondContact O-N 3.16Å; I157-S159 VanDerWaalsContact C-N 3.26Å; I157-S159 PolarHBondContact O-N 2.77Å; S159-T161 VanDerWaalsContact C-N 3.34Å; S159-H162 WeakPolarHBondContact O-CB 3.4Å; S159-H162 PolarHBondContact O-N 3.4Å; S159-Y163 WeakPolarHBondContact O-CD2 3.45Å; S159-Y163 PolarHBondContact O-N 2.92Å
160	Q	92.9	Very high	90.3	Very high	89 Å²	89	82.3 Å²	82.3	42%	0.416	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-42.1	177.4	-76.7	-179.5	9.9	0	0	111.7	V156 I157 H162 Y163 R164	V156-Q160 HydrophobicContact CG1-CG 4.41Å; V156-Q160 WeakPolarHBondContact O-CB 3.38Å; V156-Q160 VanDerWaalsContact O-CG 3.31Å; V156-Q160 WeakPolarHBondContact O-CG 3.31Å; V156-Q160 PolarHBondContact O-N 3.02Å; I157-Q160 WeakPolarHBondContact O-CB 3.24Å; I157-Q160 PolarHBondContact O-N 3.39Å; Q160-H162 VanDerWaalsContact C-N 3.35Å; Q160-Y163 PolarHBondContact O-N 2.85Å; Q160-R164 WeakPolarHBondContact O-CB 3.38Å; Q160-R164 VanDerWaalsContact O-CG 3.26Å; Q160-R164 WeakPolarHBondContact O-CG 3.37Å; Q160-R164 PolarHBondContact O-N 3.39Å
161	T	88.5	Confident	90.7	Very high	26 Å²	26	86.7 Å²	86.7	16%	0.16	43%	0.425	C	S	.	.	H	α-helix	trans	-60.9	-46	176	-62.5	0	0	0	0	110.6	Y117 I157 D158 S159 Y163 R164 L165	Y117-T161 WeakPolarHBondContact OH-CG2 3.29Å; I157-T161 PolarHBondContact O-N 2.76Å; I157-T161 PolarHBondContact O-OG1 3.16Å; D158-T161 PolarHBondContact O-N 3.45Å; S159-T161 VanDerWaalsContact C-N 3.34Å; T161-Y163 PolarHBondContact O-N 3.08Å; T161-R164 PolarHBondContact O-N 2.94Å; T161-L165 HydrophobicContact CG2-CD1 4.19Å; T161-L165 WeakPolarHBondContact O-CG 3.26Å; T161-L165 PolarHBondContact O-N 3.41Å
162	H	88.4	Confident	91	Very high	78 Å²	78	82.7 Å²	82.7	36%	0.361	41%	0.411	S	S	.	.	H	α-helix	trans	-57.3	-45.8	174.5	-175.7	72.9	0	0	0	112.9	D158 S159 Q160 L165 R166	D158-H162 PolarHBondContact O-N 2.9Å; S159-H162 WeakPolarHBondContact O-CB 3.4Å; S159-H162 PolarHBondContact O-N 3.4Å; Q160-H162 VanDerWaalsContact C-N 3.35Å; H162-L165 PolarHBondContact O-N 2.83Å; H162-R166 PolarHBondContact NE2-NE 3.02Å; H162-R166 VanDerWaalsContact NE2-NE 3.14Å; H162-R166 PolarHBondContact O-N 3.39Å; H162-R166 VanDerWaalsContact O-N 3.07Å
163	Y	92.9	Very high	91.1	Very high	163 Å²	163	85.9 Å²	85.9	64%	0.639	41%	0.412	S	S	*	.	H	α-helix	trans	-65.2	-40.4	177.6	-74.6	-60.4	0	0	0	112.5	S159 Q160 T161 R166 E167	S159-Y163 WeakPolarHBondContact O-CD2 3.45Å; S159-Y163 PolarHBondContact O-N 2.92Å; Q160-Y163 PolarHBondContact O-N 2.85Å; T161-Y163 PolarHBondContact O-N 3.08Å; Y163-R166 PolarHBondContact O-N 3.04Å; Y163-E167 WeakPolarHBondContact O-CB 3.44Å; Y163-E167 PolarHBondContact O-N 3.27Å
164	R	93.4	Very high	91.4	Very high	156 Å²	156	83.9 Å²	83.9	59%	0.589	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-42.4	177.1	-75	172.7	-177.5	169.7	5.9	111.8	Q160 T161 E167 A168	Q160-R164 WeakPolarHBondContact O-CB 3.38Å; Q160-R164 VanDerWaalsContact O-CG 3.26Å; Q160-R164 WeakPolarHBondContact O-CG 3.37Å; Q160-R164 PolarHBondContact O-N 3.39Å; T161-R164 PolarHBondContact O-N 2.94Å; R164-E167 PolarHBondContact O-N 2.98Å; R164-A168 WeakPolarHBondContact O-CB 3.34Å; R164-A168 PolarHBondContact O-N 3.5Å
165	L	90.7	Very high	91.8	Very high	21 Å²	21	86 Å²	86	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-64.6	-45	177.2	-69	169.6	0	0	0	111.6	I60 Y117 T161 H162 A168 Q169	I60-L165 HydrophobicContact CD1-CD2 4.17Å; Y117-L165 HydrophobicContact CD1-CD1 3.49Å; Y117-L165 VanDerWaalsContact CD1-CD1 3.49Å; Y117-L165 HydrophobicContact CD1-CD2 3.73Å; Y117-L165 HydrophobicContact CD1-CG 4.25Å; Y117-L165 HydrophobicContact CD2-CD2 3.88Å; Y117-L165 HydrophobicContact CE1-CD1 3.48Å; Y117-L165 VanDerWaalsContact CE1-CD1 3.48Å; Y117-L165 HydrophobicContact CE1-CD2 4.23Å; Y117-L165 HydrophobicContact CE1-CG 4.41Å; Y117-L165 HydrophobicContact CE2-CD2 4.34Å; Y117-L165 HydrophobicContact CG-CD1 4.2Å; Y117-L165 HydrophobicContact CG-CD2 3.52Å; T161-L165 HydrophobicContact CG2-CD1 4.19Å; T161-L165 WeakPolarHBondContact O-CG 3.26Å; T161-L165 PolarHBondContact O-N 3.41Å; H162-L165 PolarHBondContact O-N 2.83Å; L165-A168 PolarHBondContact O-N 3.44Å; L165-Q169 PolarHBondContact O-N 3.45Å
166	R	91.4	Very high	92	Very high	137 Å²	137	85.7 Å²	85.7	52%	0.517	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-44.8	175.1	-81	-167.1	170.9	-166.5	2.9	112.4	H162 Y163 A168 Q169 D170	H162-R166 PolarHBondContact NE2-NE 3.02Å; H162-R166 VanDerWaalsContact NE2-NE 3.14Å; H162-R166 PolarHBondContact O-N 3.39Å; H162-R166 VanDerWaalsContact O-N 3.07Å; Y163-R166 PolarHBondContact O-N 3.04Å; R166-A168 VanDerWaalsContact C-N 3.32Å; R166-A168 PolarHBondContact O-N 3.34Å; R166-Q169 PolarHBondContact O-N 2.85Å; R166-D170 WeakPolarHBondContact O-CB 3.45Å; R166-D170 PolarHBondContact O-N 2.88Å
167	E	95.3	Very high	92	Very high	126 Å²	126	87.4 Å²	87.4	59%	0.589	42%	0.422	S	S	*	.	H	α-helix	trans	-59.6	-44.1	176.5	-174.7	-169.4	170.2	0	0	111	Y163 R164 Q169 D170 R171	Y163-E167 WeakPolarHBondContact O-CB 3.44Å; Y163-E167 PolarHBondContact O-N 3.27Å; R164-E167 PolarHBondContact O-N 2.98Å; E167-Q169 PolarHBondContact O-N 3.07Å; E167-D170 PolarHBondContact O-N 3.29Å; E167-R171 WeakPolarHBondContact O-CB 3.5Å; E167-R171 PolarHBondContact O-N 3.11Å
168	A	92.6	Very high	92.4	Very high	44 Å²	44	88.3 Å²	88.3	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-45	177	0	0	0	0	0	111.9	I60 R164 L165 R166 A172	I60-A168 HydrophobicContact CG2-CB 4.34Å; R164-A168 WeakPolarHBondContact O-CB 3.34Å; R164-A168 PolarHBondContact O-N 3.5Å; L165-A168 PolarHBondContact O-N 3.44Å; R166-A168 VanDerWaalsContact C-N 3.32Å; R166-A168 PolarHBondContact O-N 3.34Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 2.93Å
169	Q	92.4	Very high	92.8	Very high	22 Å²	22	86.9 Å²	86.9	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-62.4	-47.7	175.8	178	174.8	11.3	0	0	112	I60 Y65 L165 R166 E167 A172 R173	I60-Q169 HydrophobicContact CG2-CB 4.32Å; I60-Q169 WeakPolarHBondContact O-CG 3.38Å; Y65-Q169 HydrophobicContact CE1-CG 4.3Å; L165-Q169 PolarHBondContact O-N 3.45Å; R166-Q169 PolarHBondContact O-N 2.85Å; E167-Q169 PolarHBondContact O-N 3.07Å; Q169-A172 PolarHBondContact O-N 3.39Å; Q169-R173 PolarHBondContact O-N 3.44Å
170	D	94.1	Very high	93.1	Very high	89 Å²	89	91.4 Å²	91.4	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-66.8	-38.8	-179.3	-77.6	-22.8	0	0	0	111.6	R166 E167 R173 A174	R166-D170 WeakPolarHBondContact O-CB 3.45Å; R166-D170 PolarHBondContact O-N 2.88Å; E167-D170 PolarHBondContact O-N 3.29Å; D170-R173 PolarHBondContact O-N 3.07Å; D170-A174 WeakPolarHBondContact O-CB 3.38Å; D170-A174 PolarHBondContact O-N 3.49Å
171	R	95.9	Very high	93.3	Very high	153 Å²	153	90.8 Å²	90.8	58%	0.577	44%	0.435	S	S	*	.	H	α-helix	trans	-62.9	-46.1	174.9	-178.3	173.6	179.6	164.4	1	111.5	E167 R173 A174 E175	E167-R171 WeakPolarHBondContact O-CB 3.5Å; E167-R171 PolarHBondContact O-N 3.11Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 PolarHBondContact O-N 3.15Å; R171-A174 PolarHBondContact O-N 3.49Å; R171-E175 HydrophobicContact CG-CG 4.49Å; R171-E175 WeakPolarHBondContact CG-OE1 3.12Å; R171-E175 IonicContact CZ-OE1 3.84Å; R171-E175 IonicContact NE-OE1 2.98Å; R171-E175 PolarHBondContact NE-OE1 3.49Å; R171-E175 IonicContact NH2-OE1 3.8Å; R171-E175 WeakPolarHBondContact O-CG 3.34Å; R171-E175 PolarHBondContact O-N 2.85Å
172	A	91.9	Very high	93.7	Very high	33 Å²	33	92.1 Å²	92.1	27%	0.273	45%	0.446	S	S	.	.	H	α-helix	trans	-59.9	-42.2	176.3	0	0	0	0	0	111.6	T61 A168 Q169 E175 D176	T61-A172 HydrophobicContact CG2-CB 3.77Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 2.93Å; Q169-A172 PolarHBondContact O-N 3.39Å; A172-E175 PolarHBondContact O-N 3.32Å; A172-D176 PolarHBondContact O-N 2.92Å; A172-D176 VanDerWaalsContact O-N 3.15Å
173	R	91.9	Very high	94.1	Very high	121 Å²	121	96.4 Å²	96.4	46%	0.457	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-43.4	174.4	179.9	-178.1	-70.5	168.6	-0.4	112	Q169 D170 R171 D176 L177	Q169-R173 PolarHBondContact O-N 3.44Å; D170-R173 PolarHBondContact O-N 3.07Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 PolarHBondContact O-N 3.15Å; R173-D176 PolarHBondContact O-N 3.17Å; R173-L177 WeakPolarHBondContact O-CB 3.05Å; R173-L177 PolarHBondContact O-N 3.4Å
174	A	95.8	Very high	94.4	Very high	55 Å²	55	97.7 Å²	97.7	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-64	-41.1	-179.9	0	0	0	0	0	111.7	D170 R171 L177 N178	D170-A174 WeakPolarHBondContact O-CB 3.38Å; D170-A174 PolarHBondContact O-N 3.49Å; R171-A174 PolarHBondContact O-N 3.49Å; A174-L177 PolarHBondContact O-N 3.33Å; A174-N178 WeakPolarHBondContact O-CB 3.48Å; A174-N178 PolarHBondContact O-N 2.79Å
175	E	94.6	Very high	94.6	Very high	109 Å²	109	92.7 Å²	92.7	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-44.3	177.8	-71.8	173.8	-173.2	0	0	111.9	R171 A172 N178 S179	R171-E175 HydrophobicContact CG-CG 4.49Å; R171-E175 WeakPolarHBondContact CG-OE1 3.12Å; R171-E175 IonicContact CZ-OE1 3.84Å; R171-E175 IonicContact NE-OE1 2.98Å; R171-E175 PolarHBondContact NE-OE1 3.49Å; R171-E175 IonicContact NH2-OE1 3.8Å; R171-E175 WeakPolarHBondContact O-CG 3.34Å; R171-E175 PolarHBondContact O-N 2.85Å; A172-E175 PolarHBondContact O-N 3.32Å; E175-N178 PolarHBondContact O-N 2.98Å; E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 3.09Å
176	D	90.9	Very high	94.9	Very high	82 Å²	82	96 Å²	96	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-62.4	-46.5	174.6	176.3	70.8	0	0	0	111.7	A172 R173 S179 R180	A172-D176 PolarHBondContact O-N 2.92Å; A172-D176 VanDerWaalsContact O-N 3.15Å; R173-D176 PolarHBondContact O-N 3.17Å; D176-S179 PolarHBondContact O-N 3.27Å; D176-R180 VanDerWaalsContact CG-NE 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.4Å; D176-R180 PolarHBondContact O-N 3.01Å; D176-R180 VanDerWaalsContact O-N 3.09Å; D176-R180 IonicContact OD1-CZ 2.7Å; D176-R180 IonicContact OD1-NE 2.85Å; D176-R180 PolarHBondContact OD1-NE 2.83Å; D176-R180 VanDerWaalsContact OD1-NE 3.07Å; D176-R180 IonicContact OD1-NH2 3.44Å; D176-R180 PolarHBondContact OD1-NH2 2.93Å; D176-R180 VanDerWaalsContact OD1-NH2 3.11Å; D176-R180 IonicContact OD2-CZ 2.75Å; D176-R180 IonicContact OD2-NE 3.11Å; D176-R180 PolarHBondContact OD2-NE 3.49Å; D176-R180 IonicContact OD2-NH2 3.56Å; D176-R180 PolarHBondContact OD2-NH2 2.89Å
177	L	94.3	Very high	95.2	Very high	105 Å²	105	91.3 Å²	91.3	55%	0.55	46%	0.463	S	S	.	.	H	α-helix	trans	-62.9	-45.9	178.4	-178.7	61.3	0	0	0	111.5	R173 A174 S179 R180 V181	R173-L177 WeakPolarHBondContact O-CB 3.05Å; R173-L177 PolarHBondContact O-N 3.4Å; A174-L177 PolarHBondContact O-N 3.33Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.47Å; L177-R180 PolarHBondContact O-N 3.47Å; L177-V181 HydrophobicContact CD1-CG2 4.04Å; L177-V181 HydrophobicContact CG-CG2 4.32Å; L177-V181 WeakPolarHBondContact O-CB 3.49Å; L177-V181 WeakPolarHBondContact O-CG2 3.28Å; L177-V181 PolarHBondContact O-N 2.85Å
178	N	96.6	Very high	95.4	Very high	115 Å²	115	91.2 Å²	91.2	62%	0.615	46%	0.463	S	S	*	.	H	α-helix	trans	-59.7	-43.1	179.2	177.2	66.6	0	0	0	111.4	A174 E175 S182	A174-N178 WeakPolarHBondContact O-CB 3.48Å; A174-N178 PolarHBondContact O-N 2.79Å; E175-N178 PolarHBondContact O-N 2.98Å; N178-S182 VanDerWaalsContact O-CB 3.23Å; N178-S182 WeakPolarHBondContact O-CB 3.12Å; N178-S182 PolarHBondContact O-N 3.29Å
179	S	95	Very high	95.6	Very high	49 Å²	49	92.5 Å²	92.5	34%	0.343	47%	0.467	S	S	.	.	H	α-helix	trans	-60	-50.2	176.4	-172.7	0	0	0	0	111.6	E175 D176 L177 V181 S182 Y183	E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 3.09Å; D176-S179 PolarHBondContact O-N 3.27Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.47Å; S179-V181 PolarHBondContact O-N 3.04Å; S179-S182 WeakPolarHBondContact O-CB 3.44Å; S179-S182 PolarHBondContact O-N 3.41Å; S179-Y183 WeakPolarHBondContact O-CD2 3.23Å; S179-Y183 PolarHBondContact O-N 3.37Å; S179-Y183 VanDerWaalsContact OG-CE2 3.28Å; S179-Y183 WeakPolarHBondContact OG-CE2 3.44Å
180	R	95.9	Very high	95.9	Very high	147 Å²	147	96.3 Å²	96.3	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-59.9	-48.2	179	-68.5	171.7	-169.8	-113.3	-1.4	112.2	D176 L177 S182 Y183 W184	D176-R180 VanDerWaalsContact CG-NE 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.4Å; D176-R180 PolarHBondContact O-N 3.01Å; D176-R180 VanDerWaalsContact O-N 3.09Å; D176-R180 IonicContact OD1-CZ 2.7Å; D176-R180 IonicContact OD1-NE 2.85Å; D176-R180 PolarHBondContact OD1-NE 2.83Å; D176-R180 VanDerWaalsContact OD1-NE 3.07Å; D176-R180 IonicContact OD1-NH2 3.44Å; D176-R180 PolarHBondContact OD1-NH2 2.93Å; D176-R180 VanDerWaalsContact OD1-NH2 3.11Å; D176-R180 IonicContact OD2-CZ 2.75Å; D176-R180 IonicContact OD2-NE 3.11Å; D176-R180 PolarHBondContact OD2-NE 3.49Å; D176-R180 IonicContact OD2-NH2 3.56Å; D176-R180 PolarHBondContact OD2-NH2 2.89Å; L177-R180 PolarHBondContact O-N 3.47Å; R180-S182 VanDerWaalsContact C-N 3.33Å; R180-S182 PolarHBondContact O-N 2.98Å; R180-Y183 PolarHBondContact O-N 3.1Å; R180-W184 VanDerWaalsContact O-CD1 3.28Å; R180-W184 PolarHBondContact O-N 3.11Å; R180-W184 VanDerWaalsContact O-N 3.11Å
181	V	97.6	Very high	96.1	Very high	76 Å²	76	94.6 Å²	94.6	46%	0.461	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-44.6	178.7	171.3	0	0	0	0	110.1	L177 S179 Y183 W184 S185	L177-V181 HydrophobicContact CD1-CG2 4.04Å; L177-V181 HydrophobicContact CG-CG2 4.32Å; L177-V181 WeakPolarHBondContact O-CB 3.49Å; L177-V181 WeakPolarHBondContact O-CG2 3.28Å; L177-V181 PolarHBondContact O-N 2.85Å; S179-V181 PolarHBondContact O-N 3.04Å; V181-Y183 VanDerWaalsContact C-N 3.34Å; V181-Y183 PolarHBondContact O-N 3.37Å; V181-W184 PolarHBondContact O-N 3.36Å; V181-S185 WeakPolarHBondContact O-CB 3.33Å; V181-S185 PolarHBondContact O-N 3.13Å; V181-S185 PolarHBondContact O-OG 2.95Å
182	S	97	Very high	96.2	Very high	54 Å²	54	93 Å²	93	38%	0.378	49%	0.487	S	S	.	.	H	α-helix	trans	-57	-45.7	177.8	-173.9	0	0	0	0	112.1	N178 S179 R180 S185 I186	N178-S182 VanDerWaalsContact O-CB 3.23Å; N178-S182 WeakPolarHBondContact O-CB 3.12Å; N178-S182 PolarHBondContact O-N 3.29Å; S179-S182 WeakPolarHBondContact O-CB 3.44Å; S179-S182 PolarHBondContact O-N 3.41Å; R180-S182 VanDerWaalsContact C-N 3.33Å; R180-S182 PolarHBondContact O-N 2.98Å; S182-S185 PolarHBondContact O-N 3.22Å; S182-I186 VanDerWaalsContact O-CG1 3.27Å; S182-I186 WeakPolarHBondContact O-CG1 3.27Å; S182-I186 PolarHBondContact O-N 3.44Å
183	Y	96.6	Very high	96.5	Very high	167 Å²	167	98.4 Å²	98.4	66%	0.655	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-43.7	177.1	-73.1	-59.9	0	0	0	113	S179 R180 V181 I186 G187	S179-Y183 WeakPolarHBondContact O-CD2 3.23Å; S179-Y183 PolarHBondContact O-N 3.37Å; S179-Y183 VanDerWaalsContact OG-CE2 3.28Å; S179-Y183 WeakPolarHBondContact OG-CE2 3.44Å; R180-Y183 PolarHBondContact O-N 3.1Å; V181-Y183 VanDerWaalsContact C-N 3.34Å; V181-Y183 PolarHBondContact O-N 3.37Å; Y183-I186 PolarHBondContact O-N 3.34Å; Y183-G187 PolarHBondContact O-N 3.03Å; Y183-G187 VanDerWaalsContact O-N 3.1Å
184	W	97.9	Very high	96.8	Very high	190 Å²	190	96.8 Å²	96.8	72%	0.72	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-44.1	175.7	-82.7	107.5	0	0	0	112	R180 V181 I186 G187 E188	R180-W184 VanDerWaalsContact O-CD1 3.28Å; R180-W184 PolarHBondContact O-N 3.11Å; R180-W184 VanDerWaalsContact O-N 3.11Å; V181-W184 PolarHBondContact O-N 3.36Å; W184-I186 PolarHBondContact O-N 2.86Å; W184-G187 PolarHBondContact O-N 3.44Å; W184-G187 VanDerWaalsContact O-N 3.13Å; W184-E188 PolarHBondContact O-N 2.93Å
185	S	97.8	Very high	96.9	Very high	52 Å²	52	97.7 Å²	97.7	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-38.1	178	-61.9	0	0	0	0	113	V181 S182 G187 E188 T189	V181-S185 WeakPolarHBondContact O-CB 3.33Å; V181-S185 PolarHBondContact O-N 3.13Å; V181-S185 PolarHBondContact O-OG 2.95Å; S182-S185 PolarHBondContact O-N 3.22Å; S185-G187 VanDerWaalsContact C-N 3.34Å; S185-E188 PolarHBondContact O-N 3.2Å; S185-T189 WeakPolarHBondContact O-CB 3.37Å; S185-T189 PolarHBondContact O-N 3.42Å; S185-T189 PolarHBondContact O-OG1 3.45Å
186	I	98.3	Very high	97	Very high	90 Å²	90	95.5 Å²	95.5	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-44.8	172.8	-70.1	165.2	0	0	0	110.1	S182 Y183 W184 T189 I190	S182-I186 VanDerWaalsContact O-CG1 3.27Å; S182-I186 WeakPolarHBondContact O-CG1 3.27Å; S182-I186 PolarHBondContact O-N 3.44Å; Y183-I186 PolarHBondContact O-N 3.34Å; W184-I186 PolarHBondContact O-N 2.86Å; I186-T189 PolarHBondContact O-N 3.06Å; I186-I190 HydrophobicContact CG2-CD1 4.02Å; I186-I190 WeakPolarHBondContact O-CG1 3.37Å; I186-I190 PolarHBondContact O-N 3.32Å
187	G	97.8	Very high	97.2	Very high	38 Å²	38	98 Å²	98	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-59.4	-47.8	176.9	0	0	0	0	0	113	Y183 W184 S185 T189 I190 A191	Y183-G187 PolarHBondContact O-N 3.03Å; Y183-G187 VanDerWaalsContact O-N 3.1Å; W184-G187 PolarHBondContact O-N 3.44Å; W184-G187 VanDerWaalsContact O-N 3.13Å; S185-G187 VanDerWaalsContact C-N 3.34Å; G187-T189 VanDerWaalsContact C-N 3.33Å; G187-T189 PolarHBondContact O-N 3.29Å; G187-I190 PolarHBondContact O-N 2.97Å; G187-A191 PolarHBondContact O-N 2.73Å
188	E	97.9	Very high	97.3	Very high	125 Å²	125	95.4 Å²	95.4	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-61.3	-41.9	176.8	-72.2	-179.6	168.3	0	0	112	W184 S185 I190 A191 L192	W184-E188 PolarHBondContact O-N 2.93Å; S185-E188 PolarHBondContact O-N 3.2Å; E188-I190 VanDerWaalsContact C-N 3.34Å; E188-I190 PolarHBondContact O-N 2.97Å; E188-A191 PolarHBondContact O-N 2.94Å; E188-L192 WeakPolarHBondContact O-CG 3.42Å; E188-L192 PolarHBondContact O-N 3.02Å
189	T	98.1	Very high	97.2	Very high	71 Å²	71	95.2 Å²	95.2	44%	0.436	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-43.9	178	-59.1	0	0	0	0	111.1	S185 I186 G187 L192 F193	S185-T189 WeakPolarHBondContact O-CB 3.37Å; S185-T189 PolarHBondContact O-N 3.42Å; S185-T189 PolarHBondContact O-OG1 3.45Å; I186-T189 PolarHBondContact O-N 3.06Å; G187-T189 VanDerWaalsContact C-N 3.33Å; G187-T189 PolarHBondContact O-N 3.29Å; T189-L192 PolarHBondContact O-N 3.3Å; T189-F193 HydrophobicContact CG2-CD2 4.13Å; T189-F193 HydrophobicContact CG2-CE2 3.73Å; T189-F193 WeakPolarHBondContact O-CD2 3.32Å; T189-F193 PolarHBondContact O-N 3.27Å
190	I	98.3	Very high	97.2	Very high	102 Å²	102	96.8 Å²	96.8	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175.9	-67.3	166.9	0	0	0	110.9	I186 G187 E188 L192 F193 V194	I186-I190 HydrophobicContact CG2-CD1 4.02Å; I186-I190 WeakPolarHBondContact O-CG1 3.37Å; I186-I190 PolarHBondContact O-N 3.32Å; G187-I190 PolarHBondContact O-N 2.97Å; E188-I190 VanDerWaalsContact C-N 3.34Å; E188-I190 PolarHBondContact O-N 2.97Å; I190-L192 VanDerWaalsContact C-N 3.32Å; I190-L192 PolarHBondContact O-N 3.48Å; I190-F193 PolarHBondContact O-N 2.75Å; I190-V194 WeakPolarHBondContact O-CG2 3.16Å; I190-V194 PolarHBondContact O-N 3.07Å; I190-V194 VanDerWaalsContact O-N 3.07Å
191	A	98	Very high	96.9	Very high	52 Å²	52	94 Å²	94	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-40.5	179	0	0	0	0	0	112.1	G187 E188 F193 V194 V195	G187-A191 PolarHBondContact O-N 2.73Å; E188-A191 PolarHBondContact O-N 2.94Å; A191-F193 PolarHBondContact O-N 3.44Å; A191-V194 PolarHBondContact O-N 2.92Å; A191-V195 WeakPolarHBondContact O-CG2 3.45Å; A191-V195 PolarHBondContact O-N 3.23Å
192	L	98.1	Very high	96.6	Very high	120 Å²	120	95.5 Å²	95.5	63%	0.628	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-45	175	-70.8	175.9	0	0	0	111.9	E188 T189 I190 V194 V195 S196	E188-L192 WeakPolarHBondContact O-CG 3.42Å; E188-L192 PolarHBondContact O-N 3.02Å; T189-L192 PolarHBondContact O-N 3.3Å; I190-L192 VanDerWaalsContact C-N 3.32Å; I190-L192 PolarHBondContact O-N 3.48Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 PolarHBondContact O-N 3.09Å; L192-V195 PolarHBondContact O-N 3.39Å; L192-S196 PolarHBondContact O-N 2.99Å; L192-S196 PolarHBondContact O-OG 3.42Å; L192-S196 VanDerWaalsContact O-OG 3.09Å
193	F	98.1	Very high	96.3	Very high	147 Å²	147	97.9 Å²	97.9	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-60.3	-42.3	175.9	-78.6	-65.5	0	0	0	112.6	T189 I190 A191 S196 F197	T189-F193 HydrophobicContact CG2-CD2 4.13Å; T189-F193 HydrophobicContact CG2-CE2 3.73Å; T189-F193 WeakPolarHBondContact O-CD2 3.32Å; T189-F193 PolarHBondContact O-N 3.27Å; I190-F193 PolarHBondContact O-N 2.75Å; A191-F193 PolarHBondContact O-N 3.44Å; F193-S196 PolarHBondContact O-N 3.31Å; F193-F197 PolarHBondContact O-N 3.26Å
194	V	97.7	Very high	95.8	Very high	86 Å²	86	96.9 Å²	96.9	52%	0.521	51%	0.512	S	S	.	.	H	α-helix	trans	-62.5	-44.9	177.6	172.4	0	0	0	0	111.2	I190 A191 L192 F197 S198	I190-V194 WeakPolarHBondContact O-CG2 3.16Å; I190-V194 PolarHBondContact O-N 3.07Å; I190-V194 VanDerWaalsContact O-N 3.07Å; A191-V194 PolarHBondContact O-N 2.92Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 PolarHBondContact O-N 3.09Å; V194-F197 PolarHBondContact O-N 3.49Å; V194-S198 VanDerWaalsContact O-CB 3.32Å; V194-S198 WeakPolarHBondContact O-CB 3.4Å; V194-S198 PolarHBondContact O-N 3.21Å; V194-S198 PolarHBondContact O-OG 3.4Å
195	V	97.8	Very high	95.1	Very high	75 Å²	75	92 Å²	92	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-46.7	177.1	171.6	0	0	0	0	110.5	A191 L192 F197 S198 Q199	A191-V195 WeakPolarHBondContact O-CG2 3.45Å; A191-V195 PolarHBondContact O-N 3.23Å; L192-V195 PolarHBondContact O-N 3.39Å; V195-F197 PolarHBondContact O-N 3.02Å; V195-S198 PolarHBondContact O-N 3.43Å; V195-Q199 HydrophobicContact CG1-CG 4.3Å; V195-Q199 WeakPolarHBondContact O-CB 3.25Å; V195-Q199 VanDerWaalsContact O-CG 3.25Å; V195-Q199 WeakPolarHBondContact O-CG 3.47Å; V195-Q199 PolarHBondContact O-N 2.87Å
196	S	96.7	Very high	94.4	Very high	62 Å²	62	97.6 Å²	97.6	43%	0.434	53%	0.526	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.3	-62.2	0	0	0	0	112.6	L192 F193 Q199 V200	L192-S196 PolarHBondContact O-N 2.99Å; L192-S196 PolarHBondContact O-OG 3.42Å; L192-S196 VanDerWaalsContact O-OG 3.09Å; F193-S196 PolarHBondContact O-N 3.31Å; S196-Q199 PolarHBondContact O-N 3.44Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 2.94Å
197	F	96.4	Very high	93.5	Very high	134 Å²	134	101.6 Å²	101.6	59%	0.588	54%	0.54	S	S	*	.	H	α-helix	trans	-65.9	-43.2	176.7	-174.8	-106.3	0	0	0	112	F193 V194 V195 Q199 V200 L201	F193-F197 PolarHBondContact O-N 3.26Å; V194-F197 PolarHBondContact O-N 3.49Å; V195-F197 PolarHBondContact O-N 3.02Å; F197-Q199 VanDerWaalsContact C-N 3.33Å; F197-Q199 PolarHBondContact O-N 3.2Å; F197-V200 PolarHBondContact O-N 3.43Å; F197-L201 HydrophobicContact CD1-CD1 3.82Å; F197-L201 HydrophobicContact CD1-CG 4.2Å; F197-L201 HydrophobicContact CE1-CD1 3.3Å; F197-L201 HydrophobicContact CE1-CD2 4.37Å; F197-L201 HydrophobicContact CE1-CG 3.84Å; F197-L201 HydrophobicContact CZ-CD1 3.86Å; F197-L201 HydrophobicContact CZ-CD2 4.09Å; F197-L201 HydrophobicContact CZ-CG 4.03Å; F197-L201 PolarHBondContact O-N 2.96Å
198	S	95.1	Very high	92.3	Very high	52 Å²	52	104.5 Å²	104.5	36%	0.364	55%	0.55	S	S	.	*	H	α-helix	trans	-60.2	-43	177.4	-58.1	0	0	0	0	111.5	V194 V195 V200 L201 L202	V194-S198 VanDerWaalsContact O-CB 3.32Å; V194-S198 WeakPolarHBondContact O-CB 3.4Å; V194-S198 PolarHBondContact O-N 3.21Å; V194-S198 PolarHBondContact O-OG 3.4Å; V195-S198 PolarHBondContact O-N 3.43Å; S198-V200 VanDerWaalsContact C-N 3.35Å; S198-V200 PolarHBondContact O-N 3.21Å; S198-L201 PolarHBondContact O-N 3.46Å; S198-L202 WeakPolarHBondContact O-CB 3.49Å; S198-L202 WeakPolarHBondContact O-CG 3.42Å; S198-L202 PolarHBondContact O-N 3.38Å
199	Q	94.5	Very high	90.4	Very high	110 Å²	110	107.3 Å²	107.3	51%	0.514	56%	0.564	S	S	.	*	H	α-helix	trans	-57.9	-45.1	175.2	-75.1	171.2	-12	0	0	111.8	V195 S196 F197 L202 L203	V195-Q199 HydrophobicContact CG1-CG 4.3Å; V195-Q199 WeakPolarHBondContact O-CB 3.25Å; V195-Q199 VanDerWaalsContact O-CG 3.25Å; V195-Q199 WeakPolarHBondContact O-CG 3.47Å; V195-Q199 PolarHBondContact O-N 2.87Å; S196-Q199 PolarHBondContact O-N 3.44Å; F197-Q199 VanDerWaalsContact C-N 3.33Å; F197-Q199 PolarHBondContact O-N 3.2Å; Q199-L202 PolarHBondContact O-N 3.45Å; Q199-L203 WeakPolarHBondContact O-CG 3.45Å; Q199-L203 PolarHBondContact O-N 2.97Å
200	V	94.9	Very high	88.8	Confident	83 Å²	83	113.6 Å²	113.6	50%	0.503	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-42.6	178.7	174	0	0	0	0	111.7	S196 F197 S198 L203 K204	S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 2.94Å; F197-V200 PolarHBondContact O-N 3.43Å; S198-V200 VanDerWaalsContact C-N 3.35Å; S198-V200 PolarHBondContact O-N 3.21Å; V200-L203 PolarHBondContact O-N 2.9Å; V200-K204 PolarHBondContact O-N 3.34Å
201	L	90.8	Very high	87	Confident	88 Å²	88	119.8 Å²	119.8	46%	0.461	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-43.3	177.7	-71.5	-173.9	0	0	0	112.4	F197 S198 K204 S205	F197-L201 HydrophobicContact CD1-CD1 3.82Å; F197-L201 HydrophobicContact CD1-CG 4.2Å; F197-L201 HydrophobicContact CE1-CD1 3.3Å; F197-L201 HydrophobicContact CE1-CD2 4.37Å; F197-L201 HydrophobicContact CE1-CG 3.84Å; F197-L201 HydrophobicContact CZ-CD1 3.86Å; F197-L201 HydrophobicContact CZ-CD2 4.09Å; F197-L201 HydrophobicContact CZ-CG 4.03Å; F197-L201 PolarHBondContact O-N 2.96Å; S198-L201 PolarHBondContact O-N 3.46Å; L201-K204 PolarHBondContact O-N 3.15Å; L201-S205 PolarHBondContact O-N 3.17Å
202	L	90.3	Very high	84.8	Confident	108 Å²	108	123.1 Å²	123.1	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-60.7	-47.4	176.9	-72.7	176.6	0	0	0	111.2	S198 Q199 K204 S205 F206	S198-L202 WeakPolarHBondContact O-CB 3.49Å; S198-L202 WeakPolarHBondContact O-CG 3.42Å; S198-L202 PolarHBondContact O-N 3.38Å; Q199-L202 PolarHBondContact O-N 3.45Å; L202-K204 PolarHBondContact O-N 3.32Å; L202-S205 WeakPolarHBondContact O-CB 3.22Å; L202-S205 PolarHBondContact O-N 3.06Å; L202-S205 VanDerWaalsContact O-N 3.15Å; L202-F206 VanDerWaalsContact O-CD2 3.22Å; L202-F206 WeakPolarHBondContact O-CD2 3.39Å; L202-F206 PolarHBondContact O-N 3.46Å
203	L	90.6	Very high	83	Confident	104 Å²	104	125.1 Å²	125.1	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-60.1	-45.4	176.4	-71.3	174.2	0	0	0	111.4	Q199 V200 S205 F206 F207	Q199-L203 WeakPolarHBondContact O-CG 3.45Å; Q199-L203 PolarHBondContact O-N 2.97Å; V200-L203 PolarHBondContact O-N 2.9Å; L203-S205 VanDerWaalsContact C-N 3.28Å; L203-S205 PolarHBondContact O-N 3.05Å; L203-F206 PolarHBondContact O-N 3.39Å; L203-F206 VanDerWaalsContact O-N 3.17Å; L203-F207 HydrophobicContact CD2-CE2 4.5Å; L203-F207 WeakPolarHBondContact O-CD2 3.41Å; L203-F207 PolarHBondContact O-N 3.07Å
204	K	87.8	Confident	80.8	Confident	145 Å²	145	123.4 Å²	123.4	63%	0.63	64%	0.635	S	S	*	*	H	α-helix	trans	-59	-38.8	174.8	-92.4	-171.7	151.3	171	0	112.8	V200 L201 L202 F206 F207 T208	V200-K204 PolarHBondContact O-N 3.34Å; L201-K204 PolarHBondContact O-N 3.15Å; L202-K204 PolarHBondContact O-N 3.32Å; K204-F206 VanDerWaalsContact C-N 3.35Å; K204-F207 PolarHBondContact O-N 3.49Å; K204-T208 WeakPolarHBondContact O-CB 3.14Å; K204-T208 PolarHBondContact O-N 2.7Å; K204-T208 VanDerWaalsContact O-N 3.07Å; K204-T208 PolarHBondContact O-OG1 3.22Å
205	S	81.8	Confident	78.7	Confident	89 Å²	89	130.1 Å²	130.1	62%	0.622	65%	0.651	S	S	*	*	H	α-helix	trans	-65.9	-34.8	177.3	-174.4	0	0	0	0	112.8	L201 L202 L203	L201-S205 PolarHBondContact O-N 3.17Å; L202-S205 WeakPolarHBondContact O-CB 3.22Å; L202-S205 PolarHBondContact O-N 3.06Å; L202-S205 VanDerWaalsContact O-N 3.15Å; L203-S205 VanDerWaalsContact C-N 3.28Å; L203-S205 PolarHBondContact O-N 3.05Å
206	F	82.7	Confident	76.7	Confident	169 Å²	169	130.9 Å²	130.9	74%	0.741	67%	0.665	S	S	*	*	H	α-helix	trans	-70.1	-34.9	176.6	-81.4	-66.6	0	0	0	112.8	L202 L203 K204	L202-F206 VanDerWaalsContact O-CD2 3.22Å; L202-F206 WeakPolarHBondContact O-CD2 3.39Å; L202-F206 PolarHBondContact O-N 3.46Å; L203-F206 PolarHBondContact O-N 3.39Å; L203-F206 VanDerWaalsContact O-N 3.17Å; K204-F206 VanDerWaalsContact C-N 3.35Å
207	F	79.8	Confident	74.6	Confident	173 Å²	173	134 Å²	134	76%	0.759	68%	0.681	S	S	*	*	H	α-helix	trans	-92	-5.4	-178.3	-66.2	-67.3	0	0	0	114.6	L203 K204 E209	L203-F207 HydrophobicContact CD2-CE2 4.5Å; L203-F207 WeakPolarHBondContact O-CD2 3.41Å; L203-F207 PolarHBondContact O-N 3.07Å; K204-F207 PolarHBondContact O-N 3.49Å; F207-E209 PolarHBondContact O-N 2.96Å
208	T	72.9	Confident	72.4	Confident	99 Å²	99	136.7 Å²	136.7	61%	0.607	70%	0.695	S	S	*	*			trans	-88.1	100	176	-57.6	0	0	0	0	109.9	K204 K210	K204-T208 WeakPolarHBondContact O-CB 3.14Å; K204-T208 PolarHBondContact O-N 2.7Å; K204-T208 VanDerWaalsContact O-N 3.07Å; K204-T208 PolarHBondContact O-OG1 3.22Å; T208-K210 PolarHBondContact O-N 3.41Å
209	E	59.4	Low	70.2	Confident	185 Å²	185	142.8 Å²	142.8	86%	0.864	74%	0.738	S	S	*	*			trans	-60.8	127	170	-91.5	-179.9	163.3	0	0	111	F207 R211	F207-E209 PolarHBondContact O-N 2.96Å; E209-R211 PolarHBondContact O-N 3.24Å
210	K	62.9	Low	69	Low	203 Å²	203	144.5 Å²	144.5	88%	0.883	75%	0.749	S	S	*	*			trans	-70.6	110.7	168.6	-69.3	-175.4	-178.9	-179	0	108.2	T208	T208-K210 PolarHBondContact O-N 3.41Å
211	R	60.5	Low	67.6	Low	232 Å²	232	147.7 Å²	147.7	88%	0.875	76%	0.762	S	S	*	*			trans	-53.6	126.3	173.7	-71.8	-176	-180	179.5	0.2	109.5	E209 I213	E209-R211 PolarHBondContact O-N 3.24Å; R211-I213 PolarHBondContact O-N 3.19Å
212	P	52	Low	66.3	Low	122 Å²	122	151 Å²	151	79%	0.792	78%	0.779	S	S	*	*			trans	-64	124.7	173.5	24.8	-30.1	0	0	0	108.5	S214	P212-S214 PolarHBondContact O-N 2.93Å
213	I	61.4	Low	64.9	Low	161 Å²	161	153.5 Å²	153.5	83%	0.826	79%	0.791	S	S	*	*			trans	-61.8	106.9	168.5	-68	163.2	0	0	0	106	R211 R215	R211-I213 PolarHBondContact O-N 3.19Å; I213-R215 PolarHBondContact O-N 3.39Å
214	S	51.7	Low	63.3	Low	111 Å²	111	156.6 Å²	156.6	78%	0.776	81%	0.807	S	S	*	*			trans	-62.9	104	170.3	51.8	0	0	0	0	107.7	P212 A216	P212-S214 PolarHBondContact O-N 2.93Å; S214-A216 VanDerWaalsContact C-N 3.32Å; S214-A216 PolarHBondContact O-N 3.2Å
215	R	53.2	Low	61.7	Low	227 Å²	227	157.4 Å²	157.4	86%	0.857	82%	0.818	S	S	*	*			trans	-64.6	101.6	161.2	-80.6	-175.9	172.5	177.6	-2.2	106.2	I213 V217	I213-R215 PolarHBondContact O-N 3.39Å; R215-V217 VanDerWaalsContact C-N 3.32Å; R215-V217 PolarHBondContact O-N 3.01Å
216	A	55.4	Low	60.2	Low	91 Å²	91	162.3 Å²	162.3	75%	0.752	83%	0.832	S	S	*	*			trans	-59.3	99.7	164.7	0	0	0	0	0	107.4	S214 H218	S214-A216 VanDerWaalsContact C-N 3.32Å; S214-A216 PolarHBondContact O-N 3.2Å; A216-H218 PolarHBondContact O-N 2.97Å
217	V	52.8	Low	58.5	Low	129 Å²	129	161.8 Å²	161.8	78%	0.782	84%	0.839	S	S	*	*			trans	-73.7	103.4	166.8	171.5	0	0	0	0	105.7	R215 S219	R215-V217 VanDerWaalsContact C-N 3.32Å; R215-V217 PolarHBondContact O-N 3.01Å; V217-S219 PolarHBondContact O-N 3.41Å
218	H	50.7	Low	56.7	Low	190 Å²	190	160.8 Å²	160.8	88%	0.88	85%	0.846	S	S	*	*			trans	-65.1	116.9	158.9	-106.2	-80.5	0	0	0	107.9	A216	A216-H218 PolarHBondContact O-N 2.97Å
219	S	47.9	Very low	55.3	Low	180 Å²	180	166.5 Å²	166.5	100%	1.259	87%	0.868	S	S	*	*			trans	-152.9	0	148.5	-173.3	0	0	0	0	109.9	V217	V217-S219 PolarHBondContact O-N 3.41Å

Retrieved 219 of 219 residues in 820.7 ms (Link to these results)

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