A0A087XKT7_POEFO Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A087XKT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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	38.8	Very low	35.9	Very low	230 Å²	230	146.5 Å²	146.5	100%	1.133	75%	0.75	S	S	*	*				0	119.9	0	-75.3	-167.4	175.5	0	0	109.4
2	P	31.9	Very low	36.9	Very low	128 Å²	128	151.3 Å²	151.3	83%	0.831	75%	0.752	S	S	*	*			trans	-101.9	123.3	145.9	13.5	5.8	0	0	0	108.3	E4	P2-E4 PolarHBondContact O-N 3.42Å
3	K	33.5	Very low	38.2	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	72%	0.72	S	S	*	*			trans	-70.2	108	171.5	-73.5	175	172.7	178.8	0	108.2	K5	K3-K5 PolarHBondContact O-N 2.72Å
4	E	30.4	Very low	39.2	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	73%	0.733	S	S	*	*			trans	-65.9	109.6	152.8	-76.9	-178.3	163.8	0	0	106.5	P2 Y6	P2-E4 PolarHBondContact O-N 3.42Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 3.48Å
5	K	29.9	Very low	40.3	Very low	188 Å²	188	151.1 Å²	151.1	82%	0.817	73%	0.73	S	S	*	*			trans	-65	97.4	166.2	-100.3	-177.6	168.8	-172.7	0	106.6	K3 D7	K3-K5 PolarHBondContact O-N 2.72Å; K5-D7 PolarHBondContact O-N 3.23Å
6	Y	37.7	Very low	41.5	Very low	181 Å²	181	149.8 Å²	149.8	71%	0.71	74%	0.735	S	S	*	*			trans	-66.7	103	156.5	-175.5	-101.5	0	0	0	106.6	E4 P9	E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 3.48Å; Y6-P9 WeakPolarHBondContact OH-CD 3.39Å
7	D	31.7	Very low	43.2	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68.6	138.8	162	-84.4	-40.8	0	0	0	107.9	K5	K5-D7 PolarHBondContact O-N 3.23Å
8	P	32	Very low	45	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-65.9	147.5	-169.9	27.6	-33.7	0	0	0	111.1
9	P	44.3	Very low	46.8	Very low	70 Å²	70	139 Å²	139	46%	0.455	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-62.2	143.4	170.8	28.3	-31.1	0	0	0	108.1	Y6 P11	Y6-P9 WeakPolarHBondContact OH-CD 3.39Å; P9-P11 VanDerWaalsContact O-N 3.1Å
10	D	43.9	Very low	48.5	Very low	71 Å²	71	137.6 Å²	137.6	38%	0.38	69%	0.693	S	S	.	*			trans	-39.5	121.3	171.9	-174.5	-28	0	0	0	109	R12 R13	D10-R12 PolarHBondContact O-N 3.44Å; D10-R12 WeakPolarHBondContact OD1-CB 3.49Å; D10-R12 IonicContact OD1-CZ 3.92Å; D10-R12 PolarHBondContact OD1-N 3.4Å; D10-R12 VanDerWaalsContact OD1-N 3.11Å; D10-R12 IonicContact OD1-NE 3.47Å; D10-R12 PolarHBondContact OD1-NE 3.03Å; D10-R12 IonicContact OD1-NH2 3.62Å; D10-R12 IonicContact OD2-CZ 3.45Å; D10-R12 IonicContact OD2-NE 2.93Å; D10-R12 PolarHBondContact OD2-NE 3.24Å; D10-R12 IonicContact OD2-NH2 3.8Å; D10-R12 PolarHBondContact OD2-NH2 3.29Å; D10-R13 PolarHBondContact O-N 3.23Å
11	P	41	Very low	50.1	Low	130 Å²	130	138.2 Å²	138.2	84%	0.844	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-0.1	-175.5	22.2	-32.1	0	0	0	114	P9	P9-P11 VanDerWaalsContact O-N 3.1Å
12	R	47.4	Very low	52.1	Low	204 Å²	204	130 Å²	130	77%	0.77	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-4.7	174.2	-67.3	176	-75	176.5	1.5	115.4	D10	D10-R12 PolarHBondContact O-N 3.44Å; D10-R12 WeakPolarHBondContact OD1-CB 3.49Å; D10-R12 IonicContact OD1-CZ 3.92Å; D10-R12 PolarHBondContact OD1-N 3.4Å; D10-R12 VanDerWaalsContact OD1-N 3.11Å; D10-R12 IonicContact OD1-NE 3.47Å; D10-R12 PolarHBondContact OD1-NE 3.03Å; D10-R12 IonicContact OD1-NH2 3.62Å; D10-R12 IonicContact OD2-CZ 3.45Å; D10-R12 IonicContact OD2-NE 2.93Å; D10-R12 PolarHBondContact OD2-NE 3.24Å; D10-R12 IonicContact OD2-NH2 3.8Å; D10-R12 PolarHBondContact OD2-NH2 3.29Å
13	R	54.6	Low	54.4	Low	90 Å²	90	126.4 Å²	126.4	34%	0.34	63%	0.634	S	S	.	*			trans	-106.1	89.2	179.7	-75.6	-172.5	176.6	159	1.2	112.8	D10 E33 E35 H57	D10-R13 PolarHBondContact O-N 3.23Å; R13-E33 IonicContact CZ-OE2 3.43Å; R13-E33 IonicContact NE-OE2 3.55Å; R13-E33 PolarHBondContact NE-OE2 3.11Å; R13-E33 IonicContact NH2-OE2 3.21Å; R13-E35 IonicContact CZ-OE2 3.41Å; R13-E35 IonicContact NH1-OE2 2.72Å; R13-E35 PolarHBondContact NH1-OE2 2.82Å; R13-H57 PolarHBondContact NH2-CD2 2.7Å; R13-H57 PolarHBondContact NH2-CE1 3.18Å; R13-H57 VanDerWaalsContact NH2-CG 3.26Å; R13-H57 PolarHBondContact NH2-ND1 3.46Å; R13-H57 PolarHBondContact NH2-NE2 3.11Å
14	M	52.1	Low	56.7	Low	182 Å²	182	121.4 Å²	121.4	90%	0.897	63%	0.628	S	S	*	*			trans	-81.4	113.2	162.4	-68.3	-178.5	65.2	0	0	108.7
15	Y	55.2	Low	59.4	Low	178 Å²	178	119.1 Å²	119.1	70%	0.698	62%	0.622	S	S	*	*			trans	-101.2	128.6	168.3	60.8	-90.4	0	0	0	109.7	I17	Y15-I17 HydrophobicContact CD2-CD1 4.32Å; Y15-I17 HydrophobicContact CD2-CG1 3.82Å; Y15-I17 HydrophobicContact CE2-CD1 3.87Å; Y15-I17 HydrophobicContact CE2-CG1 3.9Å
16	T	59.8	Low	62	Low	130 Å²	130	112.9 Å²	112.9	80%	0.798	61%	0.611	S	S	*	*			trans	-95	113.2	172.5	-53.7	0	0	0	0	107.8	M18	T16-M18 PolarHBondContact O-N 2.94Å
17	I	70.8	Confident	64	Low	134 Å²	134	110 Å²	110	69%	0.687	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-76.2	123.5	171.7	-60.3	176.4	0	0	0	107.5	Y15 S19	Y15-I17 HydrophobicContact CD2-CD1 4.32Å; Y15-I17 HydrophobicContact CD2-CG1 3.82Å; Y15-I17 HydrophobicContact CE2-CD1 3.87Å; Y15-I17 HydrophobicContact CE2-CG1 3.9Å; I17-S19 PolarHBondContact O-N 2.85Å
18	M	74.3	Confident	66.1	Low	60 Å²	60	113 Å²	113	30%	0.296	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-60.5	130.4	174.6	-179.6	173.7	-69.1	0	0	110.5	T16 E22 A23 K27 K28 S29	T16-M18 PolarHBondContact O-N 2.94Å; M18-E22 HydrophobicContact CG-CB 3.73Å; M18-A23 HydrophobicContact CG-CB 4.5Å; M18-A23 HydrophobicContact SD-CB 4.1Å; M18-K27 HydrophobicContact CE-CB 3.86Å; M18-K27 HydrophobicContact SD-CB 4.32Å; M18-K28 VanDerWaalsContact CE-C 3.46Å; M18-S29 VanDerWaalsContact CE-N 3.33Å
19	S	80.3	Confident	68.1	Low	51 Å²	51	112.3 Å²	112.3	36%	0.357	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-77.2	158.6	177.6	85.3	0	0	0	0	111.9	I17 E21 E22 A23	I17-S19 PolarHBondContact O-N 2.85Å; S19-E21 PolarHBondContact O-N 3.06Å; S19-E21 PolarHBondContact OG-N 3.04Å; S19-E22 PolarHBondContact N-OE2 3.01Å; S19-E22 WeakPolarHBondContact O-CB 3.19Å; S19-E22 PolarHBondContact O-N 2.81Å; S19-E22 VanDerWaalsContact O-N 3.13Å; S19-E22 WeakPolarHBondContact OG-CG 3.27Å; S19-E22 PolarHBondContact OG-N 2.82Å; S19-A23 PolarHBondContact O-N 3.09Å; S19-A23 VanDerWaalsContact O-N 3.07Å
20	S	80.5	Confident	69.8	Low	110 Å²	110	117 Å²	117	77%	0.769	62%	0.616	S	S	*	*	H	α-helix	trans	-60.2	-30.5	176.6	-54.9	0	0	0	0	113.1	A24	S20-A24 WeakPolarHBondContact O-CB 3.45Å; S20-A24 PolarHBondContact O-N 3.5Å
21	E	81.8	Confident	71.8	Confident	151 Å²	151	118.9 Å²	118.9	71%	0.706	62%	0.618	S	S	*	*	H	α-helix	trans	-72	-38.1	175.2	-74	-179.9	159.3	0	0	112.2	S19 A24 N25	S19-E21 PolarHBondContact O-N 3.06Å; S19-E21 PolarHBondContact OG-N 3.04Å; E21-A24 PolarHBondContact O-N 3.34Å; E21-N25 WeakPolarHBondContact O-CB 3.33Å; E21-N25 PolarHBondContact O-N 3.04Å; E21-N25 PolarHBondContact O-ND2 3.1Å
22	E	80.4	Confident	74.1	Confident	57 Å²	57	113.5 Å²	113.5	27%	0.266	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-42.2	175.8	-72.3	-177.1	124.3	0	0	111.7	M18 S19 N25 G26 K27	M18-E22 HydrophobicContact CG-CB 3.73Å; S19-E22 PolarHBondContact N-OE2 3.01Å; S19-E22 WeakPolarHBondContact O-CB 3.19Å; S19-E22 PolarHBondContact O-N 2.81Å; S19-E22 VanDerWaalsContact O-N 3.13Å; S19-E22 WeakPolarHBondContact OG-CG 3.27Å; S19-E22 PolarHBondContact OG-N 2.82Å; E22-N25 PolarHBondContact O-N 2.98Å; E22-G26 PolarHBondContact O-N 3.36Å; E22-K27 HydrophobicContact CB-CB 4.46Å; E22-K27 HydrophobicContact CB-CD 3.79Å; E22-K27 HydrophobicContact CG-CD 3.94Å; E22-K27 WeakPolarHBondContact O-CB 3.44Å; E22-K27 PolarHBondContact O-N 3.49Å; E22-K27 VanDerWaalsContact O-N 3.12Å; E22-K27 IonicContact OE1-NZ 2.94Å; E22-K27 PolarHBondContact OE1-NZ 3.07Å
23	A	80.1	Confident	76.3	Confident	54 Å²	54	108.6 Å²	108.6	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-64	-42.1	174.1	0	0	0	0	0	111.9	M18 S19 N25 G26	M18-A23 HydrophobicContact CG-CB 4.5Å; M18-A23 HydrophobicContact SD-CB 4.1Å; S19-A23 PolarHBondContact O-N 3.09Å; S19-A23 VanDerWaalsContact O-N 3.07Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.47Å; A23-G26 PolarHBondContact O-N 2.83Å
24	A	83.2	Confident	78.2	Confident	86 Å²	86	106.3 Å²	106.3	71%	0.711	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-30.9	176.8	0	0	0	0	0	112.9	S20 E21 G26	S20-A24 WeakPolarHBondContact O-CB 3.45Å; S20-A24 PolarHBondContact O-N 3.5Å; E21-A24 PolarHBondContact O-N 3.34Å; A24-G26 PolarHBondContact O-N 2.97Å
25	N	86.5	Confident	80.2	Confident	141 Å²	141	102.5 Å²	102.5	75%	0.754	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	9	174.1	-73.2	-31.6	0	0	0	113.9	E21 E22 A23 K27	E21-N25 WeakPolarHBondContact O-CB 3.33Å; E21-N25 PolarHBondContact O-N 3.04Å; E21-N25 PolarHBondContact O-ND2 3.1Å; E22-N25 PolarHBondContact O-N 2.98Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.47Å; N25-K27 PolarHBondContact O-N 2.77Å
26	G	84.2	Confident	82.1	Confident	57 Å²	57	96.1 Å²	96.1	59%	0.588	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	11	173.9	0	0	0	0	0	115.3	E22 A23 A24 K28	E22-G26 PolarHBondContact O-N 3.36Å; A23-G26 PolarHBondContact O-N 2.83Å; A24-G26 PolarHBondContact O-N 2.97Å; G26-K28 PolarHBondContact O-N 3.17Å
27	K	80.1	Confident	83.7	Confident	120 Å²	120	93.8 Å²	93.8	52%	0.522	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-63.9	134.5	168.9	-79.1	174.3	163.2	175.6	0	109.1	M18 E22 N25	M18-K27 HydrophobicContact CE-CB 3.86Å; M18-K27 HydrophobicContact SD-CB 4.32Å; E22-K27 HydrophobicContact CB-CB 4.46Å; E22-K27 HydrophobicContact CB-CD 3.79Å; E22-K27 HydrophobicContact CG-CD 3.94Å; E22-K27 WeakPolarHBondContact O-CB 3.44Å; E22-K27 PolarHBondContact O-N 3.49Å; E22-K27 VanDerWaalsContact O-N 3.12Å; E22-K27 IonicContact OE1-NZ 2.94Å; E22-K27 PolarHBondContact OE1-NZ 3.07Å; N25-K27 PolarHBondContact O-N 2.77Å
28	K	76.2	Confident	84.7	Confident	194 Å²	194	90.4 Å²	90.4	84%	0.843	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-98.5	133.7	173.9	-65.9	-176.2	-179.6	179.5	0	109.5	M18 G26	M18-K28 VanDerWaalsContact CE-C 3.46Å; G26-K28 PolarHBondContact O-N 3.17Å
29	S	74.1	Confident	85.5	Confident	88 Å²	88	97.3 Å²	97.3	62%	0.615	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-67.5	134.9	171.7	-178.9	0	0	0	0	109.3	M18	M18-S29 VanDerWaalsContact CE-N 3.33Å
30	Y	79.1	Confident	86.3	Confident	168 Å²	168	96.5 Å²	96.5	66%	0.659	53%	0.525	S	S	*	.			trans	-122.9	126.6	172.8	-178.4	-98.6	0	0	0	108	A32	Y30-A32 HydrophobicContact CE1-CB 3.82Å
31	W	87.4	Confident	87	Confident	111 Å²	111	100.8 Å²	100.8	42%	0.42	53%	0.525	S	S	.	.			trans	-127.1	139.5	173.1	55.2	-79.1	0	0	0	107.1	L34 L50 H52 L53	W31-L34 HydrophobicContact CZ3-CB 4.13Å; W31-L34 HydrophobicContact CZ3-CD1 4.22Å; W31-L34 HydrophobicContact CZ3-CD2 4.47Å; W31-L50 HydrophobicContact CH2-CD1 3.74Å; W31-L50 HydrophobicContact CH2-CD2 4.08Å; W31-L50 HydrophobicContact CH2-CG 4.44Å; W31-L50 HydrophobicContact CZ2-CD2 4.39Å; W31-L50 HydrophobicContact CZ3-CD1 4.41Å; W31-H52 AromaticContact CD2-NE2 3.97Å; W31-H52 AromaticContact CE2-NE2 3.74Å; W31-H52 AromaticContact CH2-NE2 3.79Å; W31-H52 AromaticContact CZ2-NE2 3.63Å; W31-H52 PolarHBondContact O-CD2 2.89Å; W31-L53 HydrophobicContact CE3-CD2 3.84Å; W31-L53 HydrophobicContact CZ3-CD2 3.57Å; W31-L53 HydrophobicContact CZ3-CG 4.48Å
32	A	89.3	Confident	87.5	Confident	17 Å²	17	98.2 Å²	98.2	14%	0.14	52%	0.524	C	S	.	.			trans	-123.2	-3.2	179.8	0	0	0	0	0	112.2	Y30 L53 T54 A55	Y30-A32 HydrophobicContact CE1-CB 3.82Å; A32-L53 CarbonylContact O-C 3.56Å; A32-L53 WeakPolarHBondContact O-CA 3.49Å; A32-L53 WeakPolarHBondContact O-CD2 3.13Å; A32-T54 HydrophobicContact CB-CG2 4.18Å; A32-T54 WeakPolarHBondContact CB-OG1 3.32Å; A32-T54 PolarHBondContact O-N 3Å; A32-T54 PolarHBondContact O-OG1 3.48Å; A32-A55 PolarHBondContact O-N 2.93Å; A32-A55 VanDerWaalsContact O-N 3.14Å
33	E	92.9	Very high	88.1	Confident	102 Å²	102	97.2 Å²	97.2	48%	0.477	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.5	-178	-51.6	-169.6	-170.6	0	0	109.7	R13 A55	R13-E33 IonicContact CZ-OE2 3.43Å; R13-E33 IonicContact NE-OE2 3.55Å; R13-E33 PolarHBondContact NE-OE2 3.11Å; R13-E33 IonicContact NH2-OE2 3.21Å; E33-A55 WeakPolarHBondContact CA-O 3.49Å; E33-A55 HydrophobicContact CB-CB 4.15Å; E33-A55 HydrophobicContact CG-CB 3.79Å
34	L	94.1	Very high	88.7	Confident	42 Å²	42	98.5 Å²	98.5	22%	0.22	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.3	174.9	-176.2	60.1	0	0	0	110.4	W31 I36 L47 L50 L53 A55 L56 H57	W31-L34 HydrophobicContact CZ3-CB 4.13Å; W31-L34 HydrophobicContact CZ3-CD1 4.22Å; W31-L34 HydrophobicContact CZ3-CD2 4.47Å; L34-I36 HydrophobicContact CD2-CD1 4.14Å; L34-I36 HydrophobicContact CD2-CG1 4.31Å; L34-I36 HydrophobicContact CG-CD1 4.48Å; L34-I36 HydrophobicContact CG-CG1 4.11Å; L34-L47 HydrophobicContact CD2-CD1 3.44Å; L34-L47 VanDerWaalsContact CD2-CD1 3.44Å; L34-L50 HydrophobicContact CD2-CD1 4.09Å; L34-L53 HydrophobicContact CB-CD1 4.09Å; L34-L53 HydrophobicContact CB-CD2 3.95Å; L34-L53 HydrophobicContact CD2-CD1 4.21Å; L34-A55 PolarHBondContact N-O 3.18Å; L34-L56 HydrophobicContact CB-CD1 4.05Å; L34-L56 HydrophobicContact CD2-CD1 4.22Å; L34-L56 HydrophobicContact CG-CD1 4.27Å; L34-L56 WeakPolarHBondContact O-CA 3.3Å; L34-H57 PolarHBondContact O-N 3.43Å
35	E	94.9	Very high	89.2	Confident	102 Å²	102	99.6 Å²	99.6	48%	0.477	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	170.6	-176.1	175.1	158.9	0	0	110	R13 H57	R13-E35 IonicContact CZ-OE2 3.41Å; R13-E35 IonicContact NH1-OE2 2.72Å; R13-E35 PolarHBondContact NH1-OE2 2.82Å; E35-H57 WeakPolarHBondContact CA-O 3.34Å; E35-H57 HydrophobicContact CB-CB 3.99Å; E35-H57 HydrophobicContact CG-CB 3.89Å
36	I	94.7	Very high	89.6	Confident	43 Å²	43	95.6 Å²	95.6	22%	0.221	51%	0.51	C	S	.	.			trans	-126.3	117.7	174.3	-50.9	-179.7	0	0	0	107.2	L34 V40 L43 L47 H57 L58 N61	L34-I36 HydrophobicContact CD2-CD1 4.14Å; L34-I36 HydrophobicContact CD2-CG1 4.31Å; L34-I36 HydrophobicContact CG-CD1 4.48Å; L34-I36 HydrophobicContact CG-CG1 4.11Å; I36-V40 HydrophobicContact CG2-CG2 3.78Å; I36-L43 HydrophobicContact CD1-CD2 4Å; I36-L47 HydrophobicContact CD1-CD2 4.11Å; I36-H57 PolarHBondContact N-O 3.37Å; I36-L58 HydrophobicContact CB-CD2 3.73Å; I36-L58 HydrophobicContact CD1-CD2 3.89Å; I36-L58 HydrophobicContact CG1-CD2 3.99Å; I36-N61 PolarHBondContact O-ND2 3.4Å
37	S	92.4	Very high	90.1	Very high	81 Å²	81	93.4 Å²	93.4	57%	0.566	49%	0.485	S	S	*	.			trans	-130.3	169.3	177.4	63.2	0	0	0	0	110.6
38	G	91.4	Very high	90.8	Very high	63 Å²	63	88.1 Å²	88.1	65%	0.649	46%	0.461	S	S	*	.	S	Bend	trans	111.2	36	177.7	0	0	0	0	0	115.5	V40	G38-V40 VanDerWaalsContact C-N 3.31Å; G38-V40 PolarHBondContact O-N 3.05Å
39	R	92.7	Very high	91.7	Very high	205 Å²	205	82.9 Å²	82.9	77%	0.774	45%	0.449	S	S	*	.	S	Bend	trans	62.4	34.9	176.3	-52.2	177.4	-179.4	169.2	0.8	113.5	R41 N61	R39-R41 PolarHBondContact O-N 2.98Å; R39-N61 PolarHBondContact N-OD1 3.42Å
40	V	95.6	Very high	92.7	Very high	34 Å²	34	80.7 Å²	80.7	21%	0.206	43%	0.43	C	S	.	.			trans	-60.6	134	-179.3	178.9	0	0	0	0	110.6	I36 G38 S42 L43 N61 S62 L63	I36-V40 HydrophobicContact CG2-CG2 3.78Å; G38-V40 VanDerWaalsContact C-N 3.31Å; G38-V40 PolarHBondContact O-N 3.05Å; V40-S42 WeakPolarHBondContact CG1-O 3.31Å; V40-L43 HydrophobicContact CG1-CD2 4.06Å; V40-N61 HydrophobicContact CB-CB 4.4Å; V40-N61 WeakPolarHBondContact CB-OD1 3.23Å; V40-N61 WeakPolarHBondContact CG2-OD1 3.25Å; V40-N61 PolarHBondContact N-OD1 3.27Å; V40-S62 CarbonylContact O-C 3.2Å; V40-S62 WeakPolarHBondContact O-CA 3.26Å; V40-S62 PolarHBondContact O-N 3.34Å; V40-L63 HydrophobicContact CG1-CD2 4.25Å; V40-L63 PolarHBondContact O-N 2.91Å
41	R	95.1	Very high	93.4	Very high	200 Å²	200	75.4 Å²	75.4	76%	0.755	42%	0.416	S	S	*	.			trans	-104.6	-22.2	179.2	-63.6	-177.3	-176.3	-166.5	2.4	113.4	R39	R39-R41 PolarHBondContact O-N 2.98Å
42	S	92.3	Very high	93.6	Very high	98 Å²	98	72.9 Å²	72.9	69%	0.685	41%	0.409	S	S	*	.			trans	-146	138.6	-176.7	55.2	0	0	0	0	110	V40	V40-S42 WeakPolarHBondContact CG1-O 3.31Å
43	L	93.5	Very high	93.9	Very high	36 Å²	36	72.1 Å²	72.1	19%	0.188	40%	0.402	C	S	.	.			trans	-100	141.7	175.4	-60.5	169.4	0	0	0	109.3	I36 V40 L47 W48 L58 L63 I66	I36-L43 HydrophobicContact CD1-CD2 4Å; V40-L43 HydrophobicContact CG1-CD2 4.06Å; L43-L47 HydrophobicContact CB-CD2 4.11Å; L43-L47 HydrophobicContact CD1-CD2 3.99Å; L43-L47 HydrophobicContact CD2-CD2 4.16Å; L43-L47 HydrophobicContact CG-CD2 4.3Å; L43-W48 HydrophobicContact CB-CH2 4.29Å; L43-W48 HydrophobicContact CB-CZ2 3.94Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 4.01Å; L43-L58 HydrophobicContact CD1-CD1 3.78Å; L43-L58 HydrophobicContact CD1-CD2 4.34Å; L43-L58 HydrophobicContact CD2-CD2 3.97Å; L43-L63 HydrophobicContact CD1-CD1 4.01Å; L43-L63 HydrophobicContact CD1-CD2 4.3Å; L43-L63 HydrophobicContact CD2-CD2 4.34Å; L43-L63 HydrophobicContact CG-CD1 4.44Å; L43-L63 HydrophobicContact CG-CD2 3.93Å; L43-I66 HydrophobicContact CD1-CD1 4.18Å
44	S	93.8	Very high	94.1	Very high	81 Å²	81	69.6 Å²	69.6	57%	0.566	39%	0.394	S	S	*	.			trans	-65.9	143.1	173.6	178.4	0	0	0	0	110.3	A46 L47	S44-A46 PolarHBondContact O-N 3.1Å; S44-A46 PolarHBondContact OG-N 2.8Å; S44-L47 VanDerWaalsContact O-CB 3.26Å; S44-L47 WeakPolarHBondContact O-CB 3.47Å; S44-L47 PolarHBondContact O-N 3.42Å; S44-L47 VanDerWaalsContact O-N 3.12Å
45	T	92.3	Very high	94.2	Very high	109 Å²	109	67.9 Å²	67.9	67%	0.669	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22.1	175.5	50.8	0	0	0	0	112.8	L47 W48	T45-L47 PolarHBondContact O-N 3.29Å; T45-W48 VanDerWaalsContact O-CD1 3.25Å; T45-W48 PolarHBondContact O-N 2.94Å
46	A	95.4	Very high	94.3	Very high	56 Å²	56	63 Å²	63	46%	0.463	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-62.1	-27.3	174.8	0	0	0	0	0	112.6	S44 W48 S49	S44-A46 PolarHBondContact O-N 3.1Å; S44-A46 PolarHBondContact OG-N 2.8Å; A46-W48 PolarHBondContact O-N 3.24Å; A46-S49 PolarHBondContact O-N 3.05Å; A46-S49 PolarHBondContact O-OG 3.3Å
47	L	95.6	Very high	94.4	Very high	12 Å²	12	62.1 Å²	62.1	6%	0.063	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-54.7	-37.9	176	176.4	55.1	0	0	0	111.7	L34 I36 L43 S44 T45 S49 L50 L53 L56	L34-L47 HydrophobicContact CD2-CD1 3.44Å; L34-L47 VanDerWaalsContact CD2-CD1 3.44Å; I36-L47 HydrophobicContact CD1-CD2 4.11Å; L43-L47 HydrophobicContact CB-CD2 4.11Å; L43-L47 HydrophobicContact CD1-CD2 3.99Å; L43-L47 HydrophobicContact CD2-CD2 4.16Å; L43-L47 HydrophobicContact CG-CD2 4.3Å; S44-L47 VanDerWaalsContact O-CB 3.26Å; S44-L47 WeakPolarHBondContact O-CB 3.47Å; S44-L47 PolarHBondContact O-N 3.42Å; S44-L47 VanDerWaalsContact O-N 3.12Å; T45-L47 PolarHBondContact O-N 3.29Å; L47-S49 PolarHBondContact O-N 3.1Å; L47-L50 HydrophobicContact CD1-CD1 3.91Å; L47-L50 WeakPolarHBondContact O-CB 3.4Å; L47-L50 PolarHBondContact O-N 3.38Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L47-L53 HydrophobicContact CD1-CD1 4.25Å; L47-L56 HydrophobicContact CD1-CD1 4.28Å; L47-L56 HydrophobicContact CD2-CD2 4.47Å
48	W	94.6	Very high	94.6	Very high	8 Å²	8	58.2 Å²	58.2	3%	0.03	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-74.4	-9.8	-176.1	-41	129.9	0	0	0	113.7	L43 T45 A46 L56 P67 D69 I70 K72 L73	L43-W48 HydrophobicContact CB-CH2 4.29Å; L43-W48 HydrophobicContact CB-CZ2 3.94Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 4.01Å; T45-W48 VanDerWaalsContact O-CD1 3.25Å; T45-W48 PolarHBondContact O-N 2.94Å; A46-W48 PolarHBondContact O-N 3.24Å; W48-L56 HydrophobicContact CZ3-CD2 4.5Å; W48-P67 HydrophobicContact CH2-CG 4.25Å; W48-P67 HydrophobicContact CZ2-CG 3.35Å; W48-D69 HydrophobicContact CB-CB 3.99Å; W48-D69 HydrophobicContact CD2-CB 4.24Å; W48-D69 HydrophobicContact CG-CB 3.6Å; W48-I70 HydrophobicContact CE3-CB 4.4Å; W48-I70 HydrophobicContact CZ3-CB 4.11Å; W48-I70 HydrophobicContact CZ3-CD1 4.44Å; W48-I70 HydrophobicContact CZ3-CG1 3.99Å; W48-K72 HydrophobicContact CB-CD 4.3Å; W48-K72 WeakPolarHBondContact O-CB 3.45Å; W48-L73 HydrophobicContact CE3-CD1 4.01Å; W48-L73 HydrophobicContact CE3-CG 4.42Å; W48-L73 HydrophobicContact CZ3-CD1 4.21Å
49	S	94.6	Very high	94.8	Very high	84 Å²	84	56.5 Å²	56.5	59%	0.587	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-85.5	-8	171.2	67.8	0	0	0	0	113.5	A46 L47 T51	A46-S49 PolarHBondContact O-N 3.05Å; A46-S49 PolarHBondContact O-OG 3.3Å; L47-S49 PolarHBondContact O-N 3.1Å; S49-T51 PolarHBondContact O-N 2.82Å
50	L	94.8	Very high	95	Very high	42 Å²	42	51.8 Å²	51.8	22%	0.22	30%	0.299	C	S	.	.			trans	-81.9	57.6	179.7	-56.6	174.8	0	0	0	111.1	W31 L34 L47 H52 L53 L73	W31-L50 HydrophobicContact CH2-CD1 3.74Å; W31-L50 HydrophobicContact CH2-CD2 4.08Å; W31-L50 HydrophobicContact CH2-CG 4.44Å; W31-L50 HydrophobicContact CZ2-CD2 4.39Å; W31-L50 HydrophobicContact CZ3-CD1 4.41Å; L34-L50 HydrophobicContact CD2-CD1 4.09Å; L47-L50 HydrophobicContact CD1-CD1 3.91Å; L47-L50 WeakPolarHBondContact O-CB 3.4Å; L47-L50 PolarHBondContact O-N 3.38Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L50-H52 PolarHBondContact O-N 3.4Å; L50-L53 HydrophobicContact CB-CD1 3.73Å; L50-L53 HydrophobicContact CB-CG 3.93Å; L50-L53 HydrophobicContact CD1-CD1 4.18Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 WeakPolarHBondContact O-CG 3.31Å; L50-L53 PolarHBondContact O-N 3Å; L50-L53 VanDerWaalsContact O-N 3.07Å; L50-L73 WeakPolarHBondContact O-CD2 3.4Å
51	T	94	Very high	95.1	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.35	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.2	-173	58.2	0	0	0	0	114.5	S49 L53 K72 N75	S49-T51 PolarHBondContact O-N 2.82Å; T51-L53 VanDerWaalsContact C-N 3.28Å; T51-K72 WeakPolarHBondContact CG2-O 3.27Å; T51-N75 PolarHBondContact O-ND2 3.22Å
52	H	92.5	Very high	95.2	Very high	59 Å²	59	42.2 Å²	42.2	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.1	174.9	62.8	-86.6	0	0	0	113.5	W31 L50 T54	W31-H52 AromaticContact CD2-NE2 3.97Å; W31-H52 AromaticContact CE2-NE2 3.74Å; W31-H52 AromaticContact CH2-NE2 3.79Å; W31-H52 AromaticContact CZ2-NE2 3.63Å; W31-H52 PolarHBondContact O-CD2 2.89Å; L50-H52 PolarHBondContact O-N 3.4Å; H52-T54 PolarHBondContact O-N 3.11Å
53	L	95.3	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.231	C	C	.	.			trans	-65.2	133	179.4	-72.1	178.1	0	0	0	111.8	W31 A32 L34 L47 L50 T51 N75 L76	W31-L53 HydrophobicContact CE3-CD2 3.84Å; W31-L53 HydrophobicContact CZ3-CD2 3.57Å; W31-L53 HydrophobicContact CZ3-CG 4.48Å; A32-L53 CarbonylContact O-C 3.56Å; A32-L53 WeakPolarHBondContact O-CA 3.49Å; A32-L53 WeakPolarHBondContact O-CD2 3.13Å; L34-L53 HydrophobicContact CB-CD1 4.09Å; L34-L53 HydrophobicContact CB-CD2 3.95Å; L34-L53 HydrophobicContact CD2-CD1 4.21Å; L47-L53 HydrophobicContact CD1-CD1 4.25Å; L50-L53 HydrophobicContact CB-CD1 3.73Å; L50-L53 HydrophobicContact CB-CG 3.93Å; L50-L53 HydrophobicContact CD1-CD1 4.18Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 WeakPolarHBondContact O-CG 3.31Å; L50-L53 PolarHBondContact O-N 3Å; L50-L53 VanDerWaalsContact O-N 3.07Å; T51-L53 VanDerWaalsContact C-N 3.28Å; L53-N75 CarbonylContact O-C 3.4Å; L53-L76 HydrophobicContact CB-CD1 4.07Å; L53-L76 PolarHBondContact O-N 3.39Å
54	T	95.6	Very high	95.6	Very high	50 Å²	50	39.2 Å²	39.2	31%	0.307	25%	0.245	S	C	.	.	S	Bend	trans	-107	-23.5	172	60.1	0	0	0	0	112.1	A32 H52 V77 Y78	A32-T54 HydrophobicContact CB-CG2 4.18Å; A32-T54 WeakPolarHBondContact CB-OG1 3.32Å; A32-T54 PolarHBondContact O-N 3Å; A32-T54 PolarHBondContact O-OG1 3.48Å; H52-T54 PolarHBondContact O-N 3.11Å; T54-V77 PolarHBondContact O-N 3.08Å; T54-Y78 PolarHBondContact O-N 2.72Å
55	A	96.4	Very high	95.6	Very high	6 Å²	6	44.5 Å²	44.5	5%	0.05	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.2	174.1	0	0	0	0	0	112.7	A32 E33 L34 Y78	A32-A55 PolarHBondContact O-N 2.93Å; A32-A55 VanDerWaalsContact O-N 3.14Å; E33-A55 WeakPolarHBondContact CA-O 3.49Å; E33-A55 HydrophobicContact CB-CB 4.15Å; E33-A55 HydrophobicContact CG-CB 3.79Å; L34-A55 PolarHBondContact N-O 3.18Å; A55-Y78 WeakPolarHBondContact CA-O 3.31Å; A55-Y78 HydrophobicContact CB-CD1 4.28Å; A55-Y78 HydrophobicContact CB-CG 4.48Å
56	L	97.4	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	115.5	178.1	-179.4	59	0	0	0	110	L34 L47 W48 L58 L73 L76 Y78 L79 D80	L34-L56 HydrophobicContact CB-CD1 4.05Å; L34-L56 HydrophobicContact CD2-CD1 4.22Å; L34-L56 HydrophobicContact CG-CD1 4.27Å; L34-L56 WeakPolarHBondContact O-CA 3.3Å; L47-L56 HydrophobicContact CD1-CD1 4.28Å; L47-L56 HydrophobicContact CD2-CD2 4.47Å; W48-L56 HydrophobicContact CZ3-CD2 4.5Å; L56-L58 HydrophobicContact CD1-CD1 4.42Å; L56-L58 HydrophobicContact CD1-CD2 4.13Å; L56-L58 HydrophobicContact CD1-CG 4.1Å; L56-L58 HydrophobicContact CD2-CD1 3.87Å; L56-L58 HydrophobicContact CD2-CG 4.39Å; L56-L58 HydrophobicContact CG-CD1 3.93Å; L56-L58 HydrophobicContact CG-CD2 4.47Å; L56-L58 HydrophobicContact CG-CG 3.91Å; L56-L73 HydrophobicContact CD2-CD1 3.86Å; L56-L76 HydrophobicContact CB-CD1 3.79Å; L56-L76 HydrophobicContact CB-CD2 4.02Å; L56-Y78 PolarHBondContact N-O 2.94Å; L56-L79 HydrophobicContact CB-CD1 4.13Å; L56-L79 HydrophobicContact CD2-CD1 4.15Å; L56-L79 HydrophobicContact CG-CD1 4.21Å; L56-D80 PolarHBondContact O-N 3.16Å
57	H	97.2	Very high	95.7	Very high	23 Å²	23	38.9 Å²	38.9	11%	0.106	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.9	-177.7	-58.3	-98.9	0	0	0	109.2	R13 L34 E35 I36 Y78	R13-H57 PolarHBondContact NH2-CD2 2.7Å; R13-H57 PolarHBondContact NH2-CE1 3.18Å; R13-H57 VanDerWaalsContact NH2-CG 3.26Å; R13-H57 PolarHBondContact NH2-ND1 3.46Å; R13-H57 PolarHBondContact NH2-NE2 3.11Å; L34-H57 PolarHBondContact O-N 3.43Å; E35-H57 WeakPolarHBondContact CA-O 3.34Å; E35-H57 HydrophobicContact CB-CB 3.99Å; E35-H57 HydrophobicContact CG-CB 3.89Å; I36-H57 PolarHBondContact N-O 3.37Å; H57-Y78 AromaticContact CE1-CD1 3.46Å; H57-Y78 VanDerWaalsContact CE1-CD1 3.46Å; H57-Y78 WeakPolarHBondContact CE1-CD1 3.31Å; H57-Y78 AromaticContact CE1-CE1 3.03Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.39Å; H57-Y78 AromaticContact CE1-CZ 3.71Å; H57-Y78 AromaticContact ND1-CE1 3.33Å; H57-Y78 VanDerWaalsContact ND1-CE1 3.33Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.37Å; H57-Y78 AromaticContact NE2-CD1 3.71Å; H57-Y78 AromaticContact NE2-CE1 3.75Å
58	L	96.6	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.			trans	-125.5	18.5	-178.4	-63.4	173.4	0	0	0	111.3	I36 L43 L56 N61 L63 D80 L81 N84	I36-L58 HydrophobicContact CB-CD2 3.73Å; I36-L58 HydrophobicContact CD1-CD2 3.89Å; I36-L58 HydrophobicContact CG1-CD2 3.99Å; L43-L58 HydrophobicContact CD1-CD1 3.78Å; L43-L58 HydrophobicContact CD1-CD2 4.34Å; L43-L58 HydrophobicContact CD2-CD2 3.97Å; L56-L58 HydrophobicContact CD1-CD1 4.42Å; L56-L58 HydrophobicContact CD1-CD2 4.13Å; L56-L58 HydrophobicContact CD1-CG 4.1Å; L56-L58 HydrophobicContact CD2-CD1 3.87Å; L56-L58 HydrophobicContact CD2-CG 4.39Å; L56-L58 HydrophobicContact CG-CD1 3.93Å; L56-L58 HydrophobicContact CG-CD2 4.47Å; L56-L58 HydrophobicContact CG-CG 3.91Å; L58-N61 PolarHBondContact O-ND2 3.01Å; L58-L63 HydrophobicContact CB-CD1 4.19Å; L58-L63 HydrophobicContact CD1-CD1 4.31Å; L58-D80 CarbonylContact C-O 3.58Å; L58-D80 WeakPolarHBondContact CA-O 3.42Å; L58-D80 WeakPolarHBondContact CB-O 3.5Å; L58-D80 PolarHBondContact N-O 2.96Å; L58-L81 HydrophobicContact CB-CD2 3.95Å; L58-L81 HydrophobicContact CD1-CD2 3.66Å; L58-L81 HydrophobicContact CG-CD2 4.43Å; L58-N84 PolarHBondContact O-ND2 2.94Å
59	S	96.4	Very high	95.8	Very high	26 Å²	26	43.6 Å²	43.6	18%	0.182	24%	0.242	C	C	.	.			trans	-61.3	154.9	179.5	59.4	0	0	0	0	112.3	N61 D80 S82	S59-N61 VanDerWaalsContact C-N 3.33Å; S59-N61 PolarHBondContact O-N 3.1Å; S59-N61 PolarHBondContact O-ND2 3.17Å; S59-N61 VanDerWaalsContact O-ND2 3.13Å; S59-D80 PolarHBondContact N-O 3.01Å; S59-S82 VanDerWaalsContact CA-O 3.26Å; S59-S82 WeakPolarHBondContact CA-O 3.01Å
60	D	96.7	Very high	95.8	Very high	107 Å²	107	39.6 Å²	39.6	57%	0.572	21%	0.214	S	C	*	.	S	Bend	trans	57.3	41	173.1	-58.7	-55.3	0	0	0	114.4	S82 S83	D60-S82 PolarHBondContact N-O 2.93Å; D60-S82 VanDerWaalsContact N-O 3.11Å; D60-S83 WeakPolarHBondContact OD1-CB 3.19Å; D60-S83 PolarHBondContact OD1-OG 2.94Å
61	N	97	Very high	95.8	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.048	21%	0.212	C	C	.	.	S	Bend	trans	-110.6	-166.2	174.7	-77.7	-65.1	0	0	0	112.1	I36 R39 V40 L58 S59 L63 N84	I36-N61 PolarHBondContact O-ND2 3.4Å; R39-N61 PolarHBondContact N-OD1 3.42Å; V40-N61 HydrophobicContact CB-CB 4.4Å; V40-N61 WeakPolarHBondContact CB-OD1 3.23Å; V40-N61 WeakPolarHBondContact CG2-OD1 3.25Å; V40-N61 PolarHBondContact N-OD1 3.27Å; L58-N61 PolarHBondContact O-ND2 3.01Å; S59-N61 VanDerWaalsContact C-N 3.33Å; S59-N61 PolarHBondContact O-N 3.1Å; S59-N61 PolarHBondContact O-ND2 3.17Å; S59-N61 VanDerWaalsContact O-ND2 3.13Å; N61-L63 HydrophobicContact CB-CG 4.15Å; N61-N84 WeakPolarHBondContact CA-OD1 3.35Å; N61-N84 WeakPolarHBondContact CB-OD1 3.39Å; N61-N84 PolarHBondContact O-OD1 2.64Å
62	S	97.3	Very high	95.8	Very high	24 Å²	24	41.3 Å²	41.3	17%	0.168	22%	0.219	C	C	.	.			trans	-123.1	32.7	177.6	-74.1	0	0	0	0	111.4	V40 S64 N84	V40-S62 CarbonylContact O-C 3.2Å; V40-S62 WeakPolarHBondContact O-CA 3.26Å; V40-S62 PolarHBondContact O-N 3.34Å; S62-S64 PolarHBondContact O-N 3.02Å; S62-N84 PolarHBondContact N-OD1 2.88Å
63	L	97.3	Very high	95.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.206	C	C	.	.			trans	-67.9	126.8	178.5	-57.6	175.1	0	0	0	109.4	V40 L43 L58 N61 I66 L81 N84 K85 I86	V40-L63 HydrophobicContact CG1-CD2 4.25Å; V40-L63 PolarHBondContact O-N 2.91Å; L43-L63 HydrophobicContact CD1-CD1 4.01Å; L43-L63 HydrophobicContact CD1-CD2 4.3Å; L43-L63 HydrophobicContact CD2-CD2 4.34Å; L43-L63 HydrophobicContact CG-CD1 4.44Å; L43-L63 HydrophobicContact CG-CD2 3.93Å; L58-L63 HydrophobicContact CB-CD1 4.19Å; L58-L63 HydrophobicContact CD1-CD1 4.31Å; N61-L63 HydrophobicContact CB-CG 4.15Å; L63-I66 HydrophobicContact CD1-CD1 3.94Å; L63-L81 HydrophobicContact CD1-CD2 4.44Å; L63-N84 HydrophobicContact CB-CB 4.34Å; L63-N84 VanDerWaalsContact CB-OD1 3.3Å; L63-N84 WeakPolarHBondContact CB-OD1 3.46Å; L63-N84 WeakPolarHBondContact CG-OD1 3.27Å; L63-N84 PolarHBondContact N-OD1 3Å; L63-K85 CarbonylContact O-C 3.47Å; L63-K85 VanDerWaalsContact O-CA 3.29Å; L63-K85 WeakPolarHBondContact O-CA 3.39Å; L63-K85 PolarHBondContact O-N 3.13Å; L63-I86 PolarHBondContact O-N 2.87Å
64	S	96	Very high	95.6	Very high	69 Å²	69	43 Å²	43	48%	0.483	23%	0.227	S	C	.	.			trans	-95.2	-19.2	177.2	54.6	0	0	0	0	113.2	S62	S62-S64 PolarHBondContact O-N 3.02Å
65	R	95.1	Very high	95.5	Very high	191 Å²	191	43.9 Å²	43.9	72%	0.721	23%	0.229	S	C	*	.			trans	-156.3	158.7	-179	64.1	-179	-176	179.6	1.9	110.2
66	I	95.3	Very high	95.5	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.056	23%	0.227	C	C	.	.			trans	-117	130.1	167.2	-65.7	-61.3	0	0	0	107.7	L43 L63 I70 L81 I86 P90	L43-I66 HydrophobicContact CD1-CD1 4.18Å; L63-I66 HydrophobicContact CD1-CD1 3.94Å; I66-I70 HydrophobicContact CG2-CB 3.78Å; I66-I70 HydrophobicContact CG2-CD1 3.54Å; I66-I70 HydrophobicContact CG2-CG1 4.25Å; I66-I70 HydrophobicContact CG2-CG2 3.73Å; I66-L81 HydrophobicContact CD1-CD2 3.54Å; I66-L81 HydrophobicContact CG1-CD1 4.03Å; I66-L81 HydrophobicContact CG1-CD2 3.83Å; I66-I86 HydrophobicContact CG1-CD1 3.99Å; I66-P90 HydrophobicContact CG2-CG 4.39Å
67	P	95.1	Very high	95.5	Very high	37 Å²	37	46.1 Å²	46.1	24%	0.24	24%	0.242	C	C	.	.			trans	-72.3	154.6	179.9	31	-34.8	0	0	0	111.5	W48 D69 I70	W48-P67 HydrophobicContact CH2-CG 4.25Å; W48-P67 HydrophobicContact CZ2-CG 3.35Å; P67-D69 PolarHBondContact O-N 3.33Å; P67-D69 VanDerWaalsContact O-N 3.1Å; P67-I70 WeakPolarHBondContact O-CG2 3.19Å; P67-I70 PolarHBondContact O-N 3.06Å; P67-I70 VanDerWaalsContact O-N 3.16Å
68	P	95.1	Very high	95.5	Very high	61 Å²	61	47.3 Å²	47.3	40%	0.396	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-49	-32.1	170.9	-33.8	40.3	0	0	0	114.9	I70 A71 P90 E92	P68-I70 PolarHBondContact O-N 3.45Å; P68-A71 WeakPolarHBondContact O-CB 3.44Å; P68-A71 PolarHBondContact O-N 3.11Å; P68-P90 HydrophobicContact CG-CB 4.22Å; P68-E92 HydrophobicContact CB-CB 4.34Å; P68-E92 VanDerWaalsContact CB-CD 3.48Å; P68-E92 HydrophobicContact CB-CG 3.94Å
69	D	95.9	Very high	95.6	Very high	57 Å²	57	47.3 Å²	47.3	31%	0.305	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.5	-15.9	179.9	-64.8	-81	0	0	0	114.5	W48 P67 A71 K72	W48-D69 HydrophobicContact CB-CB 3.99Å; W48-D69 HydrophobicContact CD2-CB 4.24Å; W48-D69 HydrophobicContact CG-CB 3.6Å; P67-D69 PolarHBondContact O-N 3.33Å; P67-D69 VanDerWaalsContact O-N 3.1Å; D69-A71 PolarHBondContact O-N 2.85Å; D69-A71 VanDerWaalsContact O-N 3.16Å; D69-K72 HydrophobicContact CB-CD 4.33Å; D69-K72 VanDerWaalsContact O-CB 3.27Å; D69-K72 WeakPolarHBondContact O-CB 3.5Å; D69-K72 WeakPolarHBondContact O-CG 3.26Å; D69-K72 PolarHBondContact O-N 2.71Å; D69-K72 WeakPolarHBondContact OD1-CE 3.26Å; D69-K72 IonicContact OD1-NZ 2.62Å; D69-K72 PolarHBondContact OD1-NZ 2.74Å
70	I	95.3	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.5	172.5	-165.6	165.9	0	0	0	112.1	W48 I66 P67 P68 K72 L73 L79 P90 L93 M96	W48-I70 HydrophobicContact CE3-CB 4.4Å; W48-I70 HydrophobicContact CZ3-CB 4.11Å; W48-I70 HydrophobicContact CZ3-CD1 4.44Å; W48-I70 HydrophobicContact CZ3-CG1 3.99Å; I66-I70 HydrophobicContact CG2-CB 3.78Å; I66-I70 HydrophobicContact CG2-CD1 3.54Å; I66-I70 HydrophobicContact CG2-CG1 4.25Å; I66-I70 HydrophobicContact CG2-CG2 3.73Å; P67-I70 WeakPolarHBondContact O-CG2 3.19Å; P67-I70 PolarHBondContact O-N 3.06Å; P67-I70 VanDerWaalsContact O-N 3.16Å; P68-I70 PolarHBondContact O-N 3.45Å; I70-K72 PolarHBondContact O-N 3.06Å; I70-K72 VanDerWaalsContact O-N 3.11Å; I70-L73 WeakPolarHBondContact O-CB 3.36Å; I70-L73 PolarHBondContact O-N 3.31Å; I70-L79 HydrophobicContact CD1-CD1 4.17Å; I70-L79 HydrophobicContact CD1-CD2 3.58Å; I70-P90 HydrophobicContact CG2-CG 4.19Å; I70-L93 HydrophobicContact CG2-CD1 4.28Å; I70-M96 HydrophobicContact CG1-CE 4.29Å; I70-M96 HydrophobicContact CG1-SD 4.07Å; I70-M96 HydrophobicContact CG2-SD 4.18Å
71	A	93.5	Very high	95.7	Very high	23 Å²	23	41.9 Å²	41.9	19%	0.19	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.4	-16.3	178.1	0	0	0	0	0	113.9	P68 D69 L73 E92 M96	P68-A71 WeakPolarHBondContact O-CB 3.44Å; P68-A71 PolarHBondContact O-N 3.11Å; D69-A71 PolarHBondContact O-N 2.85Å; D69-A71 VanDerWaalsContact O-N 3.16Å; A71-L73 PolarHBondContact O-N 3.31Å; A71-E92 HydrophobicContact CB-CB 3.77Å; A71-E92 VanDerWaalsContact CB-O 3.28Å; A71-E92 WeakPolarHBondContact CB-O 3.47Å; A71-M96 HydrophobicContact CB-CG 4.35Å
72	K	94.5	Very high	95.8	Very high	113 Å²	113	42 Å²	42	49%	0.491	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-66.2	-24.3	173	-67	173.2	173.6	166.3	0	112.2	W48 T51 D69 I70 H74	W48-K72 HydrophobicContact CB-CD 4.3Å; W48-K72 WeakPolarHBondContact O-CB 3.45Å; T51-K72 WeakPolarHBondContact CG2-O 3.27Å; D69-K72 HydrophobicContact CB-CD 4.33Å; D69-K72 VanDerWaalsContact O-CB 3.27Å; D69-K72 WeakPolarHBondContact O-CB 3.5Å; D69-K72 WeakPolarHBondContact O-CG 3.26Å; D69-K72 PolarHBondContact O-N 2.71Å; D69-K72 WeakPolarHBondContact OD1-CE 3.26Å; D69-K72 IonicContact OD1-NZ 2.62Å; D69-K72 PolarHBondContact OD1-NZ 2.74Å; I70-K72 PolarHBondContact O-N 3.06Å; I70-K72 VanDerWaalsContact O-N 3.11Å; K72-H74 PolarHBondContact O-N 3.07Å; K72-H74 PolarHBondContact O-ND1 3.24Å
73	L	95.2	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.			trans	-78.7	56.7	175.3	-53.5	-177.1	0	0	0	110.8	W48 L50 L56 I70 A71 N75 L76 M96	W48-L73 HydrophobicContact CE3-CD1 4.01Å; W48-L73 HydrophobicContact CE3-CG 4.42Å; W48-L73 HydrophobicContact CZ3-CD1 4.21Å; L50-L73 WeakPolarHBondContact O-CD2 3.4Å; L56-L73 HydrophobicContact CD2-CD1 3.86Å; I70-L73 WeakPolarHBondContact O-CB 3.36Å; I70-L73 PolarHBondContact O-N 3.31Å; A71-L73 PolarHBondContact O-N 3.31Å; L73-N75 PolarHBondContact O-N 3.05Å; L73-N75 VanDerWaalsContact O-N 3.16Å; L73-L76 HydrophobicContact CB-CB 4.32Å; L73-L76 WeakPolarHBondContact O-CB 3.25Å; L73-L76 PolarHBondContact O-N 3.05Å; L73-M96 HydrophobicContact CB-CE 4.32Å
74	H	89.8	Confident	95.9	Very high	95 Å²	95	43 Å²	43	44%	0.44	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	-173.4	56.8	-84.1	0	0	0	114.2	K72 L76 S98	K72-H74 PolarHBondContact O-N 3.07Å; K72-H74 PolarHBondContact O-ND1 3.24Å; H74-L76 VanDerWaalsContact C-N 3.31Å; H74-S98 WeakPolarHBondContact O-CB 3.42Å; H74-S98 PolarHBondContact O-OG 3.2Å
75	N	92.3	Very high	96	Very high	67 Å²	67	44.8 Å²	44.8	36%	0.358	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.7	177.2	-62.8	-46.8	0	0	0	113.7	T51 L53 L73 V77	T51-N75 PolarHBondContact O-ND2 3.22Å; L53-N75 CarbonylContact O-C 3.4Å; L73-N75 PolarHBondContact O-N 3.05Å; L73-N75 VanDerWaalsContact O-N 3.16Å; N75-V77 PolarHBondContact O-N 2.66Å
76	L	96.3	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.			trans	-69.5	124.2	-177.2	-154.5	75.9	0	0	0	110.4	L53 L56 L73 H74 Y78 L79 M96 S98 L99	L53-L76 HydrophobicContact CB-CD1 4.07Å; L53-L76 PolarHBondContact O-N 3.39Å; L56-L76 HydrophobicContact CB-CD1 3.79Å; L56-L76 HydrophobicContact CB-CD2 4.02Å; L73-L76 HydrophobicContact CB-CB 4.32Å; L73-L76 WeakPolarHBondContact O-CB 3.25Å; L73-L76 PolarHBondContact O-N 3.05Å; H74-L76 VanDerWaalsContact C-N 3.31Å; L76-Y78 WeakPolarHBondContact CG-O 3.38Å; L76-L79 HydrophobicContact CD2-CB 3.74Å; L76-L79 HydrophobicContact CD2-CD1 4.01Å; L76-L79 HydrophobicContact CD2-CD2 4.26Å; L76-L79 HydrophobicContact CD2-CG 4.21Å; L76-M96 HydrophobicContact CB-CE 3.73Å; L76-M96 HydrophobicContact CD2-CE 3.65Å; L76-M96 HydrophobicContact CG-CE 4.34Å; L76-S98 CarbonylContact O-C 3.43Å; L76-L99 HydrophobicContact CB-CD2 4.26Å; L76-L99 HydrophobicContact CD2-CD2 4.19Å; L76-L99 HydrophobicContact CG-CD2 4.26Å; L76-L99 WeakPolarHBondContact O-CA 3.26Å; L76-L99 WeakPolarHBondContact O-CD2 3.49Å; L76-L99 PolarHBondContact O-N 3.35Å
77	V	96.9	Very high	96.2	Very high	53 Å²	53	43.2 Å²	43.2	32%	0.321	22%	0.216	S	C	.	.			trans	-100.9	-33.1	177.2	179.2	0	0	0	0	110.5	T54 N75 R100 E101	T54-V77 PolarHBondContact O-N 3.08Å; N75-V77 PolarHBondContact O-N 2.66Å; V77-R100 HydrophobicContact CG1-CB 3.87Å; V77-R100 HydrophobicContact CG1-CG 3.82Å; V77-R100 PolarHBondContact O-N 2.9Å; V77-E101 PolarHBondContact O-N 2.85Å; V77-E101 VanDerWaalsContact O-N 3.08Å
78	Y	97.9	Very high	96.2	Very high	48 Å²	48	44.5 Å²	44.5	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.1	-177.9	-178.4	-79.7	0	0	0	111.3	T54 A55 L56 H57 L76 D80 E101 L103	T54-Y78 PolarHBondContact O-N 2.72Å; A55-Y78 WeakPolarHBondContact CA-O 3.31Å; A55-Y78 HydrophobicContact CB-CD1 4.28Å; A55-Y78 HydrophobicContact CB-CG 4.48Å; L56-Y78 PolarHBondContact N-O 2.94Å; H57-Y78 AromaticContact CE1-CD1 3.46Å; H57-Y78 VanDerWaalsContact CE1-CD1 3.46Å; H57-Y78 WeakPolarHBondContact CE1-CD1 3.31Å; H57-Y78 AromaticContact CE1-CE1 3.03Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.39Å; H57-Y78 AromaticContact CE1-CZ 3.71Å; H57-Y78 AromaticContact ND1-CE1 3.33Å; H57-Y78 VanDerWaalsContact ND1-CE1 3.33Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.37Å; H57-Y78 AromaticContact NE2-CD1 3.71Å; H57-Y78 AromaticContact NE2-CE1 3.75Å; L76-Y78 WeakPolarHBondContact CG-O 3.38Å; Y78-D80 HydrophobicContact CE1-CB 3.55Å; Y78-E101 HydrophobicContact CD2-CB 3.59Å; Y78-E101 HydrophobicContact CD2-CG 4.2Å; Y78-E101 HydrophobicContact CE2-CB 4.08Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.48Å; Y78-E101 HydrophobicContact CG-CB 4.41Å; Y78-L103 HydrophobicContact CE2-CD1 4.23Å; Y78-L103 VanDerWaalsContact OH-CD1 3.29Å; Y78-L103 WeakPolarHBondContact OH-CD1 3.39Å
79	L	98.3	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113.9	174.9	179.2	54.6	0	0	0	110.6	L56 I70 L76 L81 L93 L99 E101 L102 L103	L56-L79 HydrophobicContact CB-CD1 4.13Å; L56-L79 HydrophobicContact CD2-CD1 4.15Å; L56-L79 HydrophobicContact CG-CD1 4.21Å; I70-L79 HydrophobicContact CD1-CD1 4.17Å; I70-L79 HydrophobicContact CD1-CD2 3.58Å; L76-L79 HydrophobicContact CD2-CB 3.74Å; L76-L79 HydrophobicContact CD2-CD1 4.01Å; L76-L79 HydrophobicContact CD2-CD2 4.26Å; L76-L79 HydrophobicContact CD2-CG 4.21Å; L79-L81 HydrophobicContact CD1-CD1 4.23Å; L79-L81 HydrophobicContact CD1-CD2 4.39Å; L79-L81 HydrophobicContact CD1-CG 3.94Å; L79-L81 HydrophobicContact CD2-CD1 3.9Å; L79-L81 HydrophobicContact CD2-CG 4.48Å; L79-L81 HydrophobicContact CG-CD1 3.97Å; L79-L81 HydrophobicContact CG-CG 4.02Å; L79-L93 HydrophobicContact CD2-CD1 4.05Å; L79-L99 HydrophobicContact CB-CD2 3.88Å; L79-E101 PolarHBondContact N-O 2.8Å; L79-L102 HydrophobicContact CB-CD1 4.08Å; L79-L102 HydrophobicContact CD2-CD1 3.83Å; L79-L102 HydrophobicContact CG-CD1 3.96Å; L79-L102 WeakPolarHBondContact O-CA 3.35Å; L79-L103 PolarHBondContact O-N 2.97Å
80	D	98.3	Very high	96.2	Very high	18 Å²	18	40.3 Å²	40.3	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116	172.3	-169.6	2.4	0	0	0	111.6	L56 L58 S59 Y78 S82 L103	L56-D80 PolarHBondContact O-N 3.16Å; L58-D80 CarbonylContact C-O 3.58Å; L58-D80 WeakPolarHBondContact CA-O 3.42Å; L58-D80 WeakPolarHBondContact CB-O 3.5Å; L58-D80 PolarHBondContact N-O 2.96Å; S59-D80 PolarHBondContact N-O 3.01Å; Y78-D80 HydrophobicContact CE1-CB 3.55Å; D80-S82 WeakPolarHBondContact OD1-CB 3.23Å; D80-S82 PolarHBondContact OD1-N 3.32Å; D80-S82 PolarHBondContact OD1-OG 2.96Å; D80-L103 HydrophobicContact CB-CB 4.22Å; D80-L103 HydrophobicContact CB-CD1 4.3Å; D80-L103 WeakPolarHBondContact OD1-CB 3.46Å
81	L	98.1	Very high	96.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.213	C	C	.	.			trans	-119.4	15.1	177.6	-71.2	168.3	0	0	0	111.1	L58 L63 I66 L79 N84 I86 L103 L104 N107	L58-L81 HydrophobicContact CB-CD2 3.95Å; L58-L81 HydrophobicContact CD1-CD2 3.66Å; L58-L81 HydrophobicContact CG-CD2 4.43Å; L63-L81 HydrophobicContact CD1-CD2 4.44Å; I66-L81 HydrophobicContact CD1-CD2 3.54Å; I66-L81 HydrophobicContact CG1-CD1 4.03Å; I66-L81 HydrophobicContact CG1-CD2 3.83Å; L79-L81 HydrophobicContact CD1-CD1 4.23Å; L79-L81 HydrophobicContact CD1-CD2 4.39Å; L79-L81 HydrophobicContact CD1-CG 3.94Å; L79-L81 HydrophobicContact CD2-CD1 3.9Å; L79-L81 HydrophobicContact CD2-CG 4.48Å; L79-L81 HydrophobicContact CG-CD1 3.97Å; L79-L81 HydrophobicContact CG-CG 4.02Å; L81-N84 PolarHBondContact O-ND2 2.9Å; L81-N84 VanDerWaalsContact O-ND2 3.09Å; L81-I86 HydrophobicContact CB-CD1 3.94Å; L81-I86 HydrophobicContact CD1-CD1 4.35Å; L81-I86 HydrophobicContact CD2-CD1 4.12Å; L81-I86 HydrophobicContact CG-CD1 4.39Å; L81-L103 CarbonylContact C-O 3.54Å; L81-L103 WeakPolarHBondContact CA-O 3.26Å; L81-L103 PolarHBondContact N-O 2.83Å; L81-L104 HydrophobicContact CB-CD2 3.95Å; L81-L104 HydrophobicContact CD1-CD2 3.88Å; L81-N107 PolarHBondContact O-ND2 2.99Å
82	S	98.3	Very high	96.1	Very high	11 Å²	11	44.2 Å²	44.2	8%	0.077	22%	0.221	C	C	.	.			trans	-62.3	156	-176.6	-55.8	0	0	0	0	112.2	S59 D60 D80 N84 L103 N105	S59-S82 VanDerWaalsContact CA-O 3.26Å; S59-S82 WeakPolarHBondContact CA-O 3.01Å; D60-S82 PolarHBondContact N-O 2.93Å; D60-S82 VanDerWaalsContact N-O 3.11Å; D80-S82 WeakPolarHBondContact OD1-CB 3.23Å; D80-S82 PolarHBondContact OD1-N 3.32Å; D80-S82 PolarHBondContact OD1-OG 2.96Å; S82-N84 VanDerWaalsContact C-N 3.33Å; S82-N84 PolarHBondContact O-N 3.09Å; S82-N84 PolarHBondContact O-ND2 3.42Å; S82-N84 VanDerWaalsContact O-ND2 3.12Å; S82-L103 PolarHBondContact N-O 3.47Å; S82-L103 WeakPolarHBondContact OG-CB 3.48Å; S82-N105 CarbonylContact C-O 3.54Å; S82-N105 WeakPolarHBondContact CA-O 3.36Å; S82-N105 PolarHBondContact OG-N 2.75Å; S82-N105 PolarHBondContact OG-ND2 2.82Å
83	S	98.1	Very high	96.1	Very high	40 Å²	40	39 Å²	39	28%	0.28	20%	0.198	S	C	.	.	S	Bend	trans	55.7	44.6	176.6	-55.9	0	0	0	0	113.5	D60 N105 N106	D60-S83 WeakPolarHBondContact OD1-CB 3.19Å; D60-S83 PolarHBondContact OD1-OG 2.94Å; S83-N105 PolarHBondContact N-O 3.16Å; S83-N106 WeakPolarHBondContact CA-O 3.45Å
84	N	98.3	Very high	96	Very high	9 Å²	9	39 Å²	39	5%	0.048	20%	0.198	C	C	.	.	S	Bend	trans	-115.4	-165.3	173.7	-84.8	-79.4	0	0	0	110.5	L58 N61 S62 L63 L81 S82 I86 N107	L58-N84 PolarHBondContact O-ND2 2.94Å; N61-N84 WeakPolarHBondContact CA-OD1 3.35Å; N61-N84 WeakPolarHBondContact CB-OD1 3.39Å; N61-N84 PolarHBondContact O-OD1 2.64Å; S62-N84 PolarHBondContact N-OD1 2.88Å; L63-N84 HydrophobicContact CB-CB 4.34Å; L63-N84 VanDerWaalsContact CB-OD1 3.3Å; L63-N84 WeakPolarHBondContact CB-OD1 3.46Å; L63-N84 WeakPolarHBondContact CG-OD1 3.27Å; L63-N84 PolarHBondContact N-OD1 3Å; L81-N84 PolarHBondContact O-ND2 2.9Å; L81-N84 VanDerWaalsContact O-ND2 3.09Å; S82-N84 VanDerWaalsContact C-N 3.33Å; S82-N84 PolarHBondContact O-N 3.09Å; S82-N84 PolarHBondContact O-ND2 3.42Å; S82-N84 VanDerWaalsContact O-ND2 3.12Å; N84-I86 HydrophobicContact CB-CD1 4.07Å; N84-I86 HydrophobicContact CB-CG1 3.99Å; N84-N107 VanDerWaalsContact CA-OD1 3.3Å; N84-N107 WeakPolarHBondContact CA-OD1 3.25Å; N84-N107 WeakPolarHBondContact CB-OD1 3.41Å; N84-N107 PolarHBondContact N-OD1 3.26Å; N84-N107 PolarHBondContact O-OD1 2.94Å
85	K	97.7	Very high	96	Very high	106 Å²	106	37 Å²	37	46%	0.461	19%	0.191	S	C	.	.			trans	-117.7	29.2	178.4	-59	-179.1	-177.3	177.2	0	111.5	L63 R87 N107	L63-K85 CarbonylContact O-C 3.47Å; L63-K85 VanDerWaalsContact O-CA 3.29Å; L63-K85 WeakPolarHBondContact O-CA 3.39Å; L63-K85 PolarHBondContact O-N 3.13Å; K85-R87 PolarHBondContact O-N 2.8Å; K85-N107 PolarHBondContact N-OD1 3.49Å
86	I	98	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-71.1	126.4	-173.3	-58.7	167	0	0	0	109.4	L63 I66 L81 N84 S88 L89 N107 Q108 L109	L63-I86 PolarHBondContact O-N 2.87Å; I66-I86 HydrophobicContact CG1-CD1 3.99Å; L81-I86 HydrophobicContact CB-CD1 3.94Å; L81-I86 HydrophobicContact CD1-CD1 4.35Å; L81-I86 HydrophobicContact CD2-CD1 4.12Å; L81-I86 HydrophobicContact CG-CD1 4.39Å; N84-I86 HydrophobicContact CB-CD1 4.07Å; N84-I86 HydrophobicContact CB-CG1 3.99Å; I86-S88 WeakPolarHBondContact CG2-O 3.33Å; I86-L89 HydrophobicContact CG2-CD2 4.14Å; I86-N107 HydrophobicContact CB-CB 4.38Å; I86-N107 WeakPolarHBondContact CB-OD1 3.49Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.4Å; I86-N107 PolarHBondContact N-OD1 3.43Å; I86-Q108 CarbonylContact O-C 3.42Å; I86-Q108 VanDerWaalsContact O-CA 3.27Å; I86-Q108 WeakPolarHBondContact O-CA 3.47Å; I86-Q108 WeakPolarHBondContact O-CB 3.31Å; I86-Q108 PolarHBondContact O-N 3.29Å; I86-L109 HydrophobicContact CG2-CD2 3.9Å; I86-L109 PolarHBondContact O-N 2.94Å
87	R	96.8	Very high	95.8	Very high	168 Å²	168	35.1 Å²	35.1	63%	0.634	18%	0.182	S	C	*	.			trans	-98.7	-25.6	-178.6	-67.4	-178.4	175.4	-167	1.6	114.2	K85 Q108	K85-R87 PolarHBondContact O-N 2.8Å; R87-Q108 HydrophobicContact CG-CB 3.92Å; R87-Q108 VanDerWaalsContact NE-OE1 3.15Å
88	S	95.2	Very high	95.6	Very high	65 Å²	65	34.3 Å²	34.3	46%	0.455	18%	0.178	S	C	.	.			trans	-153.2	153.9	180	57.8	0	0	0	0	109.7	I86	I86-S88 WeakPolarHBondContact CG2-O 3.33Å
89	L	97.1	Very high	95.5	Very high	15 Å²	15	32 Å²	32	8%	0.079	17%	0.169	C	C	.	.			trans	-101.8	146.9	173.3	-58.9	170.1	0	0	0	109.8	I86 L93 L104 L109 L112 P113 L116	I86-L89 HydrophobicContact CG2-CD2 4.14Å; L89-L93 HydrophobicContact CB-CD2 4.19Å; L89-L93 HydrophobicContact CD1-CD2 4Å; L89-L93 HydrophobicContact CD2-CD2 4.24Å; L89-L93 HydrophobicContact CG-CD2 4.36Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.34Å; L89-L104 HydrophobicContact CD2-CD2 3.72Å; L89-L109 HydrophobicContact CD1-CD1 4.25Å; L89-L109 HydrophobicContact CD2-CD2 4.24Å; L89-L109 HydrophobicContact CG-CD1 4.41Å; L89-L109 HydrophobicContact CG-CD2 3.91Å; L89-L112 HydrophobicContact CD1-CD2 4.12Å; L89-P113 HydrophobicContact CB-CG 3.97Å; L89-L116 HydrophobicContact CD1-CD1 3.83Å
90	P	95.3	Very high	95.4	Very high	14 Å²	14	37.1 Å²	37.1	9%	0.091	19%	0.188	C	C	.	.			trans	-66.2	146.5	169.9	28.7	-32.5	0	0	0	110.5	I66 P68 I70 E92 L93	I66-P90 HydrophobicContact CG2-CG 4.39Å; P68-P90 HydrophobicContact CG-CB 4.22Å; I70-P90 HydrophobicContact CG2-CG 4.19Å; P90-E92 WeakPolarHBondContact CB-OE2 3.31Å; P90-E92 PolarHBondContact O-N 2.83Å; P90-L93 HydrophobicContact CG-CB 4.43Å; P90-L93 VanDerWaalsContact O-CB 3.3Å; P90-L93 WeakPolarHBondContact O-CB 3.32Å; P90-L93 PolarHBondContact O-N 2.98Å
91	A	92.4	Very high	95.3	Very high	32 Å²	32	39.8 Å²	39.8	26%	0.264	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-62.9	-33.3	176.7	0	0	0	0	0	111.5	L93 G94 E115	A91-L93 PolarHBondContact O-N 3.48Å; A91-L93 VanDerWaalsContact O-N 3.09Å; A91-G94 PolarHBondContact O-N 2.9Å; A91-E115 HydrophobicContact CB-CB 4.44Å; A91-E115 VanDerWaalsContact CB-CD 3.48Å; A91-E115 HydrophobicContact CB-CG 3.92Å; A91-E115 WeakPolarHBondContact O-CB 3.45Å
92	E	93.9	Very high	95.3	Very high	74 Å²	74	39.7 Å²	39.7	35%	0.346	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-62.6	-17.4	-179.3	-61.1	82.2	172.6	0	0	112.9	P68 A71 P90 G94 N95	P68-E92 HydrophobicContact CB-CB 4.34Å; P68-E92 VanDerWaalsContact CB-CD 3.48Å; P68-E92 HydrophobicContact CB-CG 3.94Å; A71-E92 HydrophobicContact CB-CB 3.77Å; A71-E92 VanDerWaalsContact CB-O 3.28Å; A71-E92 WeakPolarHBondContact CB-O 3.47Å; P90-E92 WeakPolarHBondContact CB-OE2 3.31Å; P90-E92 PolarHBondContact O-N 2.83Å; E92-G94 PolarHBondContact O-N 3.13Å; E92-N95 WeakPolarHBondContact O-CB 3.43Å; E92-N95 PolarHBondContact O-N 2.76Å
93	L	94.9	Very high	95.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-56.9	-29.3	171	-169.4	64.5	0	0	0	111.7	I70 L79 L89 P90 A91 N95 M96 L99 L102 L116	I70-L93 HydrophobicContact CG2-CD1 4.28Å; L79-L93 HydrophobicContact CD2-CD1 4.05Å; L89-L93 HydrophobicContact CB-CD2 4.19Å; L89-L93 HydrophobicContact CD1-CD2 4Å; L89-L93 HydrophobicContact CD2-CD2 4.24Å; L89-L93 HydrophobicContact CG-CD2 4.36Å; P90-L93 HydrophobicContact CG-CB 4.43Å; P90-L93 VanDerWaalsContact O-CB 3.3Å; P90-L93 WeakPolarHBondContact O-CB 3.32Å; P90-L93 PolarHBondContact O-N 2.98Å; A91-L93 PolarHBondContact O-N 3.48Å; A91-L93 VanDerWaalsContact O-N 3.09Å; L93-N95 PolarHBondContact O-N 3.05Å; L93-M96 HydrophobicContact CD1-SD 3.62Å; L93-M96 PolarHBondContact O-N 3.1Å; L93-L99 HydrophobicContact CD1-CD1 4.36Å; L93-L102 HydrophobicContact CD2-CD2 4Å; L93-L116 HydrophobicContact CD2-CD2 3.87Å; L93-L116 HydrophobicContact CG-CD2 4.14Å
94	G	92.1	Very high	95.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65	-17.2	174.4	0	0	0	0	0	114.9	A91 E92 M96 E115 K118	A91-G94 PolarHBondContact O-N 2.9Å; E92-G94 PolarHBondContact O-N 3.13Å; G94-M96 VanDerWaalsContact C-N 3.31Å; G94-E115 WeakPolarHBondContact CA-O 3.11Å; G94-K118 VanDerWaalsContact O-CB 3.27Å; G94-K118 WeakPolarHBondContact O-CB 3.33Å
95	N	90.6	Very high	95.3	Very high	53 Å²	53	39.8 Å²	39.8	28%	0.283	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-83.5	-8.6	177.8	-64	-15.1	0	0	0	112.7	E92 L93 V97	E92-N95 WeakPolarHBondContact O-CB 3.43Å; E92-N95 PolarHBondContact O-N 2.76Å; L93-N95 PolarHBondContact O-N 3.05Å; N95-V97 PolarHBondContact O-N 3.26Å
96	M	93.4	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.			trans	-83.8	56.5	-179.9	-62	177.3	65.6	0	0	111.5	I70 A71 L73 L76 L93 G94 S98 L99 L119	I70-M96 HydrophobicContact CG1-CE 4.29Å; I70-M96 HydrophobicContact CG1-SD 4.07Å; I70-M96 HydrophobicContact CG2-SD 4.18Å; A71-M96 HydrophobicContact CB-CG 4.35Å; L73-M96 HydrophobicContact CB-CE 4.32Å; L76-M96 HydrophobicContact CB-CE 3.73Å; L76-M96 HydrophobicContact CD2-CE 3.65Å; L76-M96 HydrophobicContact CG-CE 4.34Å; L93-M96 HydrophobicContact CD1-SD 3.62Å; L93-M96 PolarHBondContact O-N 3.1Å; G94-M96 VanDerWaalsContact C-N 3.31Å; M96-S98 PolarHBondContact O-N 3.34Å; M96-L99 HydrophobicContact CB-CD1 3.64Å; M96-L99 HydrophobicContact CB-CG 3.96Å; M96-L99 HydrophobicContact CE-CD1 4.07Å; M96-L99 HydrophobicContact CE-CD2 4.45Å; M96-L99 HydrophobicContact CE-CG 4.3Å; M96-L99 WeakPolarHBondContact O-CB 3.36Å; M96-L99 WeakPolarHBondContact O-CG 3.31Å; M96-L99 PolarHBondContact O-N 2.99Å; M96-L99 HydrophobicContact SD-CD1 4.3Å; M96-L119 VanDerWaalsContact C-CD2 3.5Å; M96-L119 HydrophobicContact CB-CD2 4.49Å; M96-L119 VanDerWaalsContact O-CD2 3.24Å; M96-L119 WeakPolarHBondContact O-CD2 3.33Å
97	V	91	Very high	95.4	Very high	28 Å²	28	39.5 Å²	39.5	17%	0.17	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.4	-170.5	-65.6	0	0	0	0	115.1	N95 L99 F120 Q121 F484	N95-V97 PolarHBondContact O-N 3.26Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-F120 HydrophobicContact CB-CE1 4.19Å; V97-F120 HydrophobicContact CG1-CE1 4.27Å; V97-Q121 WeakPolarHBondContact O-CB 3.41Å; V97-Q121 WeakPolarHBondContact O-CG 3.27Å; V97-Q121 PolarHBondContact O-OE1 2.94Å; V97-Q121 VanDerWaalsContact O-OE1 3.12Å; V97-F484 HydrophobicContact CB-CE2 4.22Å; V97-F484 HydrophobicContact CG2-CE2 3.58Å; V97-F484 HydrophobicContact CG2-CZ 4.07Å
98	S	91.3	Very high	95.4	Very high	35 Å²	35	35 Å²	35	25%	0.245	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.1	174.3	-59.1	0	0	0	0	114.6	H74 L76 M96 R100	H74-S98 WeakPolarHBondContact O-CB 3.42Å; H74-S98 PolarHBondContact O-OG 3.2Å; L76-S98 CarbonylContact O-C 3.43Å; M96-S98 PolarHBondContact O-N 3.34Å; S98-R100 PolarHBondContact O-N 3.17Å
99	L	95.6	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.			trans	-62.8	128.4	178.8	-79.6	173	0	0	0	111.3	L76 L79 L93 M96 V97 L119 Q121 L122	L76-L99 HydrophobicContact CB-CD2 4.26Å; L76-L99 HydrophobicContact CD2-CD2 4.19Å; L76-L99 HydrophobicContact CG-CD2 4.26Å; L76-L99 WeakPolarHBondContact O-CA 3.26Å; L76-L99 WeakPolarHBondContact O-CD2 3.49Å; L76-L99 PolarHBondContact O-N 3.35Å; L79-L99 HydrophobicContact CB-CD2 3.88Å; L93-L99 HydrophobicContact CD1-CD1 4.36Å; M96-L99 HydrophobicContact CB-CD1 3.64Å; M96-L99 HydrophobicContact CB-CG 3.96Å; M96-L99 HydrophobicContact CE-CD1 4.07Å; M96-L99 HydrophobicContact CE-CD2 4.45Å; M96-L99 HydrophobicContact CE-CG 4.3Å; M96-L99 WeakPolarHBondContact O-CB 3.36Å; M96-L99 WeakPolarHBondContact O-CG 3.31Å; M96-L99 PolarHBondContact O-N 2.99Å; M96-L99 HydrophobicContact SD-CD1 4.3Å; V97-L99 VanDerWaalsContact C-N 3.31Å; L99-L119 HydrophobicContact CD1-CD1 4.12Å; L99-Q121 CarbonylContact O-C 3.47Å; L99-L122 HydrophobicContact CB-CD1 4.09Å; L99-L122 WeakPolarHBondContact O-CA 3.34Å; L99-L122 PolarHBondContact O-N 3.19Å
100	R	96.3	Very high	95.5	Very high	107 Å²	107	40 Å²	40	40%	0.404	19%	0.194	S	C	.	.	S	Bend	trans	-108.7	-30.8	173.2	-65.5	-178.8	-176.8	-111.7	-1.8	112	V77 S98 Q123 T124	V77-R100 HydrophobicContact CG1-CB 3.87Å; V77-R100 HydrophobicContact CG1-CG 3.82Å; V77-R100 PolarHBondContact O-N 2.9Å; S98-R100 PolarHBondContact O-N 3.17Å; R100-Q123 PolarHBondContact O-N 3.28Å; R100-T124 PolarHBondContact O-N 3.48Å
101	E	97.8	Very high	95.4	Very high	74 Å²	74	44.1 Å²	44.1	35%	0.346	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.7	179.1	-60.4	-169.6	-141.1	0	0	110.9	V77 Y78 L79 T124	V77-E101 PolarHBondContact O-N 2.85Å; V77-E101 VanDerWaalsContact O-N 3.08Å; Y78-E101 HydrophobicContact CD2-CB 3.59Å; Y78-E101 HydrophobicContact CD2-CG 4.2Å; Y78-E101 HydrophobicContact CE2-CB 4.08Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.48Å; Y78-E101 HydrophobicContact CG-CB 4.41Å; L79-E101 PolarHBondContact N-O 2.8Å; E101-T124 WeakPolarHBondContact CA-O 3.47Å
102	L	98.3	Very high	95.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.9	176.8	175.3	57.9	0	0	0	108.7	L79 L93 L104 L116 L119 L122 T124 L125 G126	L79-L102 HydrophobicContact CB-CD1 4.08Å; L79-L102 HydrophobicContact CD2-CD1 3.83Å; L79-L102 HydrophobicContact CG-CD1 3.96Å; L79-L102 WeakPolarHBondContact O-CA 3.35Å; L93-L102 HydrophobicContact CD2-CD2 4Å; L102-L104 HydrophobicContact CD1-CD1 4.37Å; L102-L104 HydrophobicContact CD1-CD2 4.22Å; L102-L104 HydrophobicContact CD1-CG 4.09Å; L102-L104 HydrophobicContact CD2-CD1 4.01Å; L102-L104 HydrophobicContact CG-CD1 3.93Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L102-L116 HydrophobicContact CD2-CD2 3.81Å; L102-L119 HydrophobicContact CD2-CD1 4.3Å; L102-L122 HydrophobicContact CB-CD1 3.72Å; L102-L122 HydrophobicContact CB-CD2 4.19Å; L102-T124 PolarHBondContact N-O 3.06Å; L102-L125 HydrophobicContact CB-CD1 4.21Å; L102-L125 HydrophobicContact CD2-CD1 3.98Å; L102-L125 HydrophobicContact CG-CD1 4.04Å; L102-L125 CarbonylContact O-C 3.56Å; L102-L125 WeakPolarHBondContact O-CA 3.43Å; L102-G126 PolarHBondContact O-N 3Å
103	L	98.4	Very high	95.6	Very high	28 Å²	28	40.7 Å²	40.7	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.9	-178.6	-52.8	-176.8	0	0	0	109.9	Y78 L79 D80 L81 S82 T124	Y78-L103 HydrophobicContact CE2-CD1 4.23Å; Y78-L103 VanDerWaalsContact OH-CD1 3.29Å; Y78-L103 WeakPolarHBondContact OH-CD1 3.39Å; L79-L103 PolarHBondContact O-N 2.97Å; D80-L103 HydrophobicContact CB-CB 4.22Å; D80-L103 HydrophobicContact CB-CD1 4.3Å; D80-L103 WeakPolarHBondContact OD1-CB 3.46Å; L81-L103 CarbonylContact C-O 3.54Å; L81-L103 WeakPolarHBondContact CA-O 3.26Å; L81-L103 PolarHBondContact N-O 2.83Å; S82-L103 PolarHBondContact N-O 3.47Å; S82-L103 WeakPolarHBondContact OG-CB 3.48Å; L103-T124 HydrophobicContact CD2-CG2 3.95Å
104	L	98.1	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.			trans	-127.8	18.2	-176.5	-63	162.4	0	0	0	111.3	L81 L89 L102 N107 L109 L125 G126 L127 N130	L81-L104 HydrophobicContact CB-CD2 3.95Å; L81-L104 HydrophobicContact CD1-CD2 3.88Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.34Å; L89-L104 HydrophobicContact CD2-CD2 3.72Å; L102-L104 HydrophobicContact CD1-CD1 4.37Å; L102-L104 HydrophobicContact CD1-CD2 4.22Å; L102-L104 HydrophobicContact CD1-CG 4.09Å; L102-L104 HydrophobicContact CD2-CD1 4.01Å; L102-L104 HydrophobicContact CG-CD1 3.93Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L104-N107 PolarHBondContact O-ND2 2.95Å; L104-L109 HydrophobicContact CB-CD1 4.02Å; L104-L109 HydrophobicContact CD1-CD1 4.11Å; L104-L109 HydrophobicContact CD2-CD1 4.44Å; L104-L109 HydrophobicContact CG-CD1 4.45Å; L104-L125 HydrophobicContact CD1-CD1 4.1Å; L104-G126 CarbonylContact C-O 3.22Å; L104-G126 VanDerWaalsContact C-O 3.23Å; L104-G126 WeakPolarHBondContact CA-O 3.25Å; L104-G126 VanDerWaalsContact CB-O 3.24Å; L104-G126 WeakPolarHBondContact CB-O 3.22Å; L104-G126 PolarHBondContact N-O 2.73Å; L104-L127 HydrophobicContact CB-CD2 4.25Å; L104-L127 HydrophobicContact CD1-CD2 3.89Å; L104-N130 PolarHBondContact O-ND2 3.48Å
105	N	98	Very high	95.6	Very high	34 Å²	34	45.2 Å²	45.2	18%	0.182	22%	0.219	C	C	.	.			trans	-60.8	150.9	-172.9	-56.4	-74	0	0	0	111	S82 S83 N107 G126 L127 K128	S82-N105 CarbonylContact C-O 3.54Å; S82-N105 WeakPolarHBondContact CA-O 3.36Å; S82-N105 PolarHBondContact OG-N 2.75Å; S82-N105 PolarHBondContact OG-ND2 2.82Å; S83-N105 PolarHBondContact N-O 3.16Å; N105-N107 PolarHBondContact O-N 3.28Å; N105-N107 PolarHBondContact O-ND2 2.87Å; N105-G126 PolarHBondContact N-O 2.87Å; N105-G126 VanDerWaalsContact OD1-C 3.28Å; N105-G126 WeakPolarHBondContact OD1-CA 3.35Å; N105-L127 PolarHBondContact OD1-N 2.89Å; N105-K128 CarbonylContact C-O 3.47Å; N105-K128 WeakPolarHBondContact CA-O 3.46Å; N105-K128 PolarHBondContact OD1-N 3.03Å; N105-K128 VanDerWaalsContact OD1-N 3.08Å
106	N	98.1	Very high	95.8	Very high	91 Å²	91	42.8 Å²	42.8	49%	0.487	21%	0.206	S	C	.	.	S	Bend	trans	53.7	50.9	174.8	-53.5	-40.6	0	0	0	113.2	S83 K128	S83-N106 WeakPolarHBondContact CA-O 3.45Å; N106-K128 PolarHBondContact N-O 3.29Å
107	N	98.5	Very high	95.8	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	21%	0.207	C	C	.	.	S	Bend	trans	-115.3	-167.5	172	-86.5	-74.9	0	0	0	110.4	L81 N84 K85 I86 L104 N105 L109 N130	L81-N107 PolarHBondContact O-ND2 2.99Å; N84-N107 VanDerWaalsContact CA-OD1 3.3Å; N84-N107 WeakPolarHBondContact CA-OD1 3.25Å; N84-N107 WeakPolarHBondContact CB-OD1 3.41Å; N84-N107 PolarHBondContact N-OD1 3.26Å; N84-N107 PolarHBondContact O-OD1 2.94Å; K85-N107 PolarHBondContact N-OD1 3.49Å; I86-N107 HydrophobicContact CB-CB 4.38Å; I86-N107 WeakPolarHBondContact CB-OD1 3.49Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.4Å; I86-N107 PolarHBondContact N-OD1 3.43Å; L104-N107 PolarHBondContact O-ND2 2.95Å; N105-N107 PolarHBondContact O-N 3.28Å; N105-N107 PolarHBondContact O-ND2 2.87Å; N107-L109 HydrophobicContact CB-CG 4.26Å; N107-N130 VanDerWaalsContact CA-OD1 3.23Å; N107-N130 WeakPolarHBondContact CA-OD1 3.41Å; N107-N130 WeakPolarHBondContact CB-OD1 3.36Å; N107-N130 PolarHBondContact N-OD1 2.81Å; N107-N130 PolarHBondContact O-OD1 3Å
108	Q	97.8	Very high	95.8	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	21%	0.209	S	C	.	.			trans	-113	27.4	179.7	-61.3	-179.6	5.8	0	0	111.9	I86 R87 R110 N130	I86-Q108 CarbonylContact O-C 3.42Å; I86-Q108 VanDerWaalsContact O-CA 3.27Å; I86-Q108 WeakPolarHBondContact O-CA 3.47Å; I86-Q108 WeakPolarHBondContact O-CB 3.31Å; I86-Q108 PolarHBondContact O-N 3.29Å; R87-Q108 HydrophobicContact CG-CB 3.92Å; R87-Q108 VanDerWaalsContact NE-OE1 3.15Å; Q108-R110 PolarHBondContact O-N 2.78Å; Q108-N130 PolarHBondContact N-OD1 3.46Å
109	L	97.8	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.197	C	C	.	.			trans	-67.4	122.4	-178	-60.9	172.8	0	0	0	110.5	I86 L89 L104 N107 L112 N130 P131 L132	I86-L109 HydrophobicContact CG2-CD2 3.9Å; I86-L109 PolarHBondContact O-N 2.94Å; L89-L109 HydrophobicContact CD1-CD1 4.25Å; L89-L109 HydrophobicContact CD2-CD2 4.24Å; L89-L109 HydrophobicContact CG-CD1 4.41Å; L89-L109 HydrophobicContact CG-CD2 3.91Å; L104-L109 HydrophobicContact CB-CD1 4.02Å; L104-L109 HydrophobicContact CD1-CD1 4.11Å; L104-L109 HydrophobicContact CD2-CD1 4.44Å; L104-L109 HydrophobicContact CG-CD1 4.45Å; N107-L109 HydrophobicContact CB-CG 4.26Å; L109-L112 HydrophobicContact CD1-CD2 4.3Å; L109-N130 HydrophobicContact CB-CB 4.11Å; L109-N130 VanDerWaalsContact CB-OD1 3.3Å; L109-N130 WeakPolarHBondContact CB-OD1 3.18Å; L109-N130 WeakPolarHBondContact CG-OD1 3.35Å; L109-N130 PolarHBondContact N-OD1 2.94Å; L109-P131 CarbonylContact O-C 3.23Å; L109-P131 VanDerWaalsContact O-C 3.24Å; L109-P131 VanDerWaalsContact O-CD 3.22Å; L109-P131 WeakPolarHBondContact O-CD 3.2Å; L109-P131 WeakPolarHBondContact O-CG 3.28Å; L109-L132 HydrophobicContact CB-CD2 4.07Å; L109-L132 PolarHBondContact O-N 3.43Å
110	R	95.8	Very high	95.7	Very high	185 Å²	185	44.6 Å²	44.6	70%	0.698	21%	0.208	S	C	*	.	S	Bend	trans	-100.4	-28	173.7	-65.6	-177.6	-178.5	-172.8	-2.1	113.1	Q108 P131	Q108-R110 PolarHBondContact O-N 2.78Å; R110-P131 WeakPolarHBondContact CA-O 3.41Å; R110-P131 HydrophobicContact CG-CG 4.04Å
111	V	93.8	Very high	95.4	Very high	100 Å²	100	41.6 Å²	41.6	61%	0.606	20%	0.198	S	C	*	.			trans	-138	155.1	-179.8	-63.1	0	0	0	0	109.3
112	L	95.7	Very high	95.3	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	18%	0.183	C	C	.	.			trans	-110.5	138.3	170.4	-63.3	177.6	0	0	0	108.5	L89 L109 L116 L127 L132 I136 L149 L153	L89-L112 HydrophobicContact CD1-CD2 4.12Å; L109-L112 HydrophobicContact CD1-CD2 4.3Å; L112-L116 HydrophobicContact CB-CD1 4.17Å; L112-L116 HydrophobicContact CD2-CD1 4.07Å; L112-L127 HydrophobicContact CD1-CD1 3.86Å; L112-L127 HydrophobicContact CD1-CD2 4.38Å; L112-L127 HydrophobicContact CD2-CD2 4.01Å; L112-L132 HydrophobicContact CD2-CD2 4.2Å; L112-L132 HydrophobicContact CG-CD2 3.99Å; L112-I136 HydrophobicContact CD1-CG2 3.99Å; L112-L149 HydrophobicContact CD1-CD2 3.87Å; L112-L153 HydrophobicContact CB-CD1 4.41Å; L112-L153 HydrophobicContact CD1-CD1 4.44Å
113	P	94.4	Very high	95	Very high	21 Å²	21	43.6 Å²	43.6	14%	0.136	21%	0.208	C	C	.	.			trans	-64.2	139.4	170.1	27.7	-32.7	0	0	0	109.6	L89 E115 L116	L89-P113 HydrophobicContact CB-CG 3.97Å; P113-E115 WeakPolarHBondContact CB-OE2 3.39Å; P113-E115 PolarHBondContact O-N 3.3Å; P113-L116 HydrophobicContact CG-CD1 4.22Å; P113-L116 HydrophobicContact CG-CG 4.09Å; P113-L116 WeakPolarHBondContact O-CB 3.29Å; P113-L116 PolarHBondContact O-N 2.86Å
114	F	93.3	Very high	94.8	Very high	61 Å²	61	45.1 Å²	45.1	27%	0.268	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65.3	-24.9	179.7	-75.8	-93.7	0	0	0	111.6	L116 G117 Y152 L153 N156 L157 A160	F114-L116 PolarHBondContact O-N 3.3Å; F114-L116 VanDerWaalsContact O-N 3.14Å; F114-G117 PolarHBondContact O-N 2.91Å; F114-Y152 HydrophobicContact CE1-CE1 4.39Å; F114-L153 HydrophobicContact CD1-CB 4.44Å; F114-L153 HydrophobicContact CD1-CD2 3.9Å; F114-L153 WeakPolarHBondContact CD1-O 3.49Å; F114-L153 HydrophobicContact CE1-CD2 4.18Å; F114-L153 HydrophobicContact CG-CD2 4.32Å; F114-N156 HydrophobicContact CD1-CB 3.7Å; F114-N156 HydrophobicContact CE1-CB 3.43Å; F114-N156 VanDerWaalsContact CE1-CB 3.43Å; F114-N156 HydrophobicContact CZ-CB 4.47Å; F114-L157 VanDerWaalsContact C-CD1 3.42Å; F114-L157 HydrophobicContact CB-CD1 3.66Å; F114-A160 HydrophobicContact CB-CB 4.23Å; F114-A160 HydrophobicContact CD1-CB 4.17Å; F114-A160 HydrophobicContact CD2-CB 3.26Å; F114-A160 HydrophobicContact CE1-CB 4.39Å; F114-A160 HydrophobicContact CE2-CB 3.5Å; F114-A160 HydrophobicContact CG-CB 3.63Å; F114-A160 HydrophobicContact CZ-CB 4.08Å
115	E	93	Very high	94.8	Very high	37 Å²	37	45.2 Å²	45.2	17%	0.173	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.4	-24	175.5	-65.8	82.7	170.6	0	0	112.9	A91 G94 P113 G117 K118 L157 I161	A91-E115 HydrophobicContact CB-CB 4.44Å; A91-E115 VanDerWaalsContact CB-CD 3.48Å; A91-E115 HydrophobicContact CB-CG 3.92Å; A91-E115 WeakPolarHBondContact O-CB 3.45Å; G94-E115 WeakPolarHBondContact CA-O 3.11Å; P113-E115 WeakPolarHBondContact CB-OE2 3.39Å; P113-E115 PolarHBondContact O-N 3.3Å; E115-G117 PolarHBondContact O-N 3.01Å; E115-G117 VanDerWaalsContact O-N 3.13Å; E115-K118 VanDerWaalsContact O-CB 3.27Å; E115-K118 WeakPolarHBondContact O-CB 3.42Å; E115-K118 WeakPolarHBondContact O-CG 3.08Å; E115-K118 PolarHBondContact O-N 3.43Å; E115-L157 HydrophobicContact CB-CD1 4.47Å; E115-L157 HydrophobicContact CG-CD1 4.05Å; E115-I161 HydrophobicContact CG-CD1 4.15Å; E115-I161 WeakPolarHBondContact OE1-CD1 3.39Å
116	L	94.7	Very high	94.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.4	171.5	-89	175.4	0	0	0	112.4	L89 L93 L102 L112 P113 F114 K118 L119 L150 L153	L89-L116 HydrophobicContact CD1-CD1 3.83Å; L93-L116 HydrophobicContact CD2-CD2 3.87Å; L93-L116 HydrophobicContact CG-CD2 4.14Å; L102-L116 HydrophobicContact CD2-CD2 3.81Å; L112-L116 HydrophobicContact CB-CD1 4.17Å; L112-L116 HydrophobicContact CD2-CD1 4.07Å; P113-L116 HydrophobicContact CG-CD1 4.22Å; P113-L116 HydrophobicContact CG-CG 4.09Å; P113-L116 WeakPolarHBondContact O-CB 3.29Å; P113-L116 PolarHBondContact O-N 2.86Å; F114-L116 PolarHBondContact O-N 3.3Å; F114-L116 VanDerWaalsContact O-N 3.14Å; L116-K118 PolarHBondContact O-N 3.23Å; L116-K118 VanDerWaalsContact O-N 3.12Å; L116-L119 HydrophobicContact CD2-CD1 3.51Å; L116-L119 HydrophobicContact CD2-CG 4.32Å; L116-L119 WeakPolarHBondContact O-CB 3.1Å; L116-L119 WeakPolarHBondContact O-CG 3.44Å; L116-L119 PolarHBondContact O-N 2.74Å; L116-L150 WeakPolarHBondContact O-CD2 3.29Å; L116-L153 HydrophobicContact CB-CD1 3.96Å
117	G	93.4	Very high	94.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.3	-20.6	175.4	0	0	0	0	0	114.2	F114 E115 L119 L150	F114-G117 PolarHBondContact O-N 2.91Å; E115-G117 PolarHBondContact O-N 3.01Å; E115-G117 VanDerWaalsContact O-N 3.13Å; G117-L119 PolarHBondContact O-N 3.14Å; G117-L150 WeakPolarHBondContact CA-O 3.32Å
118	K	92.1	Very high	94.5	Very high	50 Å²	50	46 Å²	46	22%	0.217	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-70.5	-12.8	173.7	-63.1	-176.7	-180	-172.3	0	113.4	G94 E115 L116 F120 L154 L157	G94-K118 VanDerWaalsContact O-CB 3.27Å; G94-K118 WeakPolarHBondContact O-CB 3.33Å; E115-K118 VanDerWaalsContact O-CB 3.27Å; E115-K118 WeakPolarHBondContact O-CB 3.42Å; E115-K118 WeakPolarHBondContact O-CG 3.08Å; E115-K118 PolarHBondContact O-N 3.43Å; L116-K118 PolarHBondContact O-N 3.23Å; L116-K118 VanDerWaalsContact O-N 3.12Å; K118-F120 VanDerWaalsContact O-CD1 3.26Å; K118-F120 WeakPolarHBondContact O-CD1 3.24Å; K118-F120 PolarHBondContact O-N 2.94Å; K118-L154 HydrophobicContact CG-CD1 4.27Å; K118-L157 HydrophobicContact CG-CD2 4.37Å
119	L	94.2	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.			trans	-79.4	59.9	178	-58.2	-172.9	0	0	0	111.6	M96 L99 L102 L116 G117 Q121 L122	M96-L119 VanDerWaalsContact C-CD2 3.5Å; M96-L119 HydrophobicContact CB-CD2 4.49Å; M96-L119 VanDerWaalsContact O-CD2 3.24Å; M96-L119 WeakPolarHBondContact O-CD2 3.33Å; L99-L119 HydrophobicContact CD1-CD1 4.12Å; L102-L119 HydrophobicContact CD2-CD1 4.3Å; L116-L119 HydrophobicContact CD2-CD1 3.51Å; L116-L119 HydrophobicContact CD2-CG 4.32Å; L116-L119 WeakPolarHBondContact O-CB 3.1Å; L116-L119 WeakPolarHBondContact O-CG 3.44Å; L116-L119 PolarHBondContact O-N 2.74Å; G117-L119 PolarHBondContact O-N 3.14Å; L119-Q121 PolarHBondContact O-N 3.37Å; L119-L122 HydrophobicContact CB-CB 4.01Å; L119-L122 HydrophobicContact CD1-CD2 4.42Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.44Å
120	F	89.9	Confident	94.4	Very high	50 Å²	50	45.8 Å²	45.8	22%	0.219	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.2	-174	67.8	-86	0	0	0	114.2	V97 K118 G208 Y209 F484	V97-F120 HydrophobicContact CB-CE1 4.19Å; V97-F120 HydrophobicContact CG1-CE1 4.27Å; K118-F120 VanDerWaalsContact O-CD1 3.26Å; K118-F120 WeakPolarHBondContact O-CD1 3.24Å; K118-F120 PolarHBondContact O-N 2.94Å; F120-G208 WeakPolarHBondContact CB-O 3.43Å; F120-Y209 HydrophobicContact CD1-CD1 4.29Å; F120-Y209 HydrophobicContact CD1-CG 4.46Å; F120-Y209 HydrophobicContact CD2-CD1 4.41Å; F120-Y209 AromaticContact CE1-CD1 3.96Å; F120-Y209 HydrophobicContact CE1-CD1 3.96Å; F120-Y209 HydrophobicContact CE1-CG 4.33Å; F120-Y209 HydrophobicContact CE2-CD1 4.05Å; F120-Y209 AromaticContact CZ-CD1 3.84Å; F120-Y209 HydrophobicContact CZ-CD1 3.84Å; F120-F484 HydrophobicContact CE1-CD2 4.19Å; F120-F484 HydrophobicContact CE1-CE2 4.43Å; F120-F484 HydrophobicContact CE1-CG 4.4Å; F120-F484 HydrophobicContact CE2-CD1 4.18Å; F120-F484 HydrophobicContact CE2-CG 4.32Å; F120-F484 HydrophobicContact CZ-CB 4.1Å; F120-F484 AromaticContact CZ-CD1 3.68Å; F120-F484 HydrophobicContact CZ-CD1 3.68Å; F120-F484 AromaticContact CZ-CD2 3.7Å; F120-F484 HydrophobicContact CZ-CD2 3.7Å; F120-F484 HydrophobicContact CZ-CE1 4Å; F120-F484 HydrophobicContact CZ-CE2 4.02Å; F120-F484 AromaticContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CZ 4.14Å
121	Q	91.2	Very high	94.5	Very high	45 Å²	45	40.5 Å²	40.5	21%	0.21	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.8	173.4	-57.2	-163.5	-37.9	0	0	113.6	V97 L99 L119 Q123	V97-Q121 WeakPolarHBondContact O-CB 3.41Å; V97-Q121 WeakPolarHBondContact O-CG 3.27Å; V97-Q121 PolarHBondContact O-OE1 2.94Å; V97-Q121 VanDerWaalsContact O-OE1 3.12Å; L99-Q121 CarbonylContact O-C 3.47Å; L119-Q121 PolarHBondContact O-N 3.37Å; Q121-Q123 PolarHBondContact O-N 2.87Å
122	L	94.7	Very high	94.6	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	20%	0.196	C	C	.	.			trans	-69.8	122.5	-175.8	-167	75.4	0	0	0	111	L99 L102 L119 L125 L150	L99-L122 HydrophobicContact CB-CD1 4.09Å; L99-L122 WeakPolarHBondContact O-CA 3.34Å; L99-L122 PolarHBondContact O-N 3.19Å; L102-L122 HydrophobicContact CB-CD1 3.72Å; L102-L122 HydrophobicContact CB-CD2 4.19Å; L119-L122 HydrophobicContact CB-CB 4.01Å; L119-L122 HydrophobicContact CD1-CD2 4.42Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.44Å; L122-L125 HydrophobicContact CD2-CB 3.84Å; L122-L125 HydrophobicContact CD2-CD1 4.12Å; L122-L125 HydrophobicContact CD2-CD2 4.41Å; L122-L125 HydrophobicContact CD2-CG 4.33Å; L122-L150 HydrophobicContact CB-CD1 3.87Å; L122-L150 HydrophobicContact CD2-CD1 4.12Å; L122-L150 HydrophobicContact CD2-CD2 4.27Å; L122-L150 HydrophobicContact CG-CD1 4.49Å
123	Q	92.6	Very high	94.5	Very high	113 Å²	113	38.5 Å²	38.5	53%	0.528	21%	0.214	S	C	.	.			trans	-98.4	-43.4	-177.9	-57.3	-177.6	-12	0	0	110.6	R100 Q121	R100-Q123 PolarHBondContact O-N 3.28Å; Q121-Q123 PolarHBondContact O-N 2.87Å
124	T	94.2	Very high	94.4	Very high	60 Å²	60	44.2 Å²	44.2	37%	0.368	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.9	-177.7	-56.2	0	0	0	0	109.9	R100 E101 L102 L103	R100-T124 PolarHBondContact O-N 3.48Å; E101-T124 WeakPolarHBondContact CA-O 3.47Å; L102-T124 PolarHBondContact N-O 3.06Å; L103-T124 HydrophobicContact CD2-CG2 3.95Å
125	L	97.4	Very high	94.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.6	170.3	178.1	55.5	0	0	0	108	L102 L104 L122 L127 Y140 T146 L149	L102-L125 HydrophobicContact CB-CD1 4.21Å; L102-L125 HydrophobicContact CD2-CD1 3.98Å; L102-L125 HydrophobicContact CG-CD1 4.04Å; L102-L125 CarbonylContact O-C 3.56Å; L102-L125 WeakPolarHBondContact O-CA 3.43Å; L104-L125 HydrophobicContact CD1-CD1 4.1Å; L122-L125 HydrophobicContact CD2-CB 3.84Å; L122-L125 HydrophobicContact CD2-CD1 4.12Å; L122-L125 HydrophobicContact CD2-CD2 4.41Å; L122-L125 HydrophobicContact CD2-CG 4.33Å; L125-L127 HydrophobicContact CD1-CD2 4.18Å; L125-L127 HydrophobicContact CD1-CG 4.22Å; L125-L127 HydrophobicContact CD2-CD1 3.84Å; L125-L127 HydrophobicContact CD2-CG 4.31Å; L125-L127 HydrophobicContact CG-CD1 3.97Å; L125-L127 HydrophobicContact CG-CD2 4.38Å; L125-L127 HydrophobicContact CG-CG 3.89Å; L125-Y140 WeakPolarHBondContact O-CE2 3.33Å; L125-Y140 VanDerWaalsContact O-CZ 3.24Å; L125-Y140 PolarHBondContact O-OH 3.25Å; L125-T146 HydrophobicContact CB-CG2 3.64Å; L125-L149 HydrophobicContact CD2-CD2 4.12Å
126	G	96.9	Very high	94.4	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	107.6	179.9	0	0	0	0	0	111.9	L102 L104 N105	L102-G126 PolarHBondContact O-N 3Å; L104-G126 CarbonylContact C-O 3.22Å; L104-G126 VanDerWaalsContact C-O 3.23Å; L104-G126 WeakPolarHBondContact CA-O 3.25Å; L104-G126 VanDerWaalsContact CB-O 3.24Å; L104-G126 WeakPolarHBondContact CB-O 3.22Å; L104-G126 PolarHBondContact N-O 2.73Å; N105-G126 PolarHBondContact N-O 2.87Å; N105-G126 VanDerWaalsContact OD1-C 3.28Å; N105-G126 WeakPolarHBondContact OD1-CA 3.35Å
127	L	97.3	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.			trans	-117.8	0.5	-177.4	-66.6	171.1	0	0	0	114.5	L104 N105 L112 L125 N130 L132 Y140 L149	L104-L127 HydrophobicContact CB-CD2 4.25Å; L104-L127 HydrophobicContact CD1-CD2 3.89Å; N105-L127 PolarHBondContact OD1-N 2.89Å; L112-L127 HydrophobicContact CD1-CD1 3.86Å; L112-L127 HydrophobicContact CD1-CD2 4.38Å; L112-L127 HydrophobicContact CD2-CD2 4.01Å; L125-L127 HydrophobicContact CD1-CD2 4.18Å; L125-L127 HydrophobicContact CD1-CG 4.22Å; L125-L127 HydrophobicContact CD2-CD1 3.84Å; L125-L127 HydrophobicContact CD2-CG 4.31Å; L125-L127 HydrophobicContact CG-CD1 3.97Å; L125-L127 HydrophobicContact CG-CD2 4.38Å; L125-L127 HydrophobicContact CG-CG 3.89Å; L127-N130 WeakPolarHBondContact O-CB 3.36Å; L127-N130 PolarHBondContact O-N 3.39Å; L127-N130 PolarHBondContact O-ND2 2.84Å; L127-L132 HydrophobicContact CB-CD1 4.02Å; L127-L132 HydrophobicContact CD1-CD1 4.08Å; L127-L132 HydrophobicContact CD2-CD1 4.18Å; L127-L132 HydrophobicContact CG-CD1 4.32Å; L127-Y140 HydrophobicContact CB-CD1 4.34Å; L127-Y140 HydrophobicContact CB-CE1 4.02Å; L127-Y140 HydrophobicContact CD1-CD2 4.14Å; L127-Y140 HydrophobicContact CD1-CE2 4.34Å; L127-Y140 HydrophobicContact CD1-CG 4.28Å; L127-Y140 PolarHBondContact N-OH 2.87Å; L127-L149 HydrophobicContact CD1-CD2 3.62Å
128	K	95.3	Very high	94.3	Very high	146 Å²	146	49.7 Å²	49.7	64%	0.635	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	143.7	-173.6	-65.3	-177.9	179.2	177.7	0	111.1	N105 N106 N130	N105-K128 CarbonylContact C-O 3.47Å; N105-K128 WeakPolarHBondContact CA-O 3.46Å; N105-K128 PolarHBondContact OD1-N 3.03Å; N105-K128 VanDerWaalsContact OD1-N 3.08Å; N106-K128 PolarHBondContact N-O 3.29Å; K128-N130 VanDerWaalsContact C-N 3.34Å
129	G	95.6	Very high	94.4	Very high	53 Å²	53	49.2 Å²	49.2	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	16.1	178.8	0	0	0	0	0	115
130	N	97.8	Very high	94.4	Very high	16 Å²	16	51 Å²	51	9%	0.086	28%	0.278	C	S	.	.			trans	-102.1	145.5	170	-74.3	-81.9	0	0	0	111.7	L104 N107 Q108 L109 L127 K128 L132	L104-N130 PolarHBondContact O-ND2 3.48Å; N107-N130 VanDerWaalsContact CA-OD1 3.23Å; N107-N130 WeakPolarHBondContact CA-OD1 3.41Å; N107-N130 WeakPolarHBondContact CB-OD1 3.36Å; N107-N130 PolarHBondContact N-OD1 2.81Å; N107-N130 PolarHBondContact O-OD1 3Å; Q108-N130 PolarHBondContact N-OD1 3.46Å; L109-N130 HydrophobicContact CB-CB 4.11Å; L109-N130 VanDerWaalsContact CB-OD1 3.3Å; L109-N130 WeakPolarHBondContact CB-OD1 3.18Å; L109-N130 WeakPolarHBondContact CG-OD1 3.35Å; L109-N130 PolarHBondContact N-OD1 2.94Å; L127-N130 WeakPolarHBondContact O-CB 3.36Å; L127-N130 PolarHBondContact O-N 3.39Å; L127-N130 PolarHBondContact O-ND2 2.84Å; K128-N130 VanDerWaalsContact C-N 3.34Å; N130-L132 HydrophobicContact CB-CD1 4.23Å; N130-L132 HydrophobicContact CB-CG 3.96Å; N130-L132 PolarHBondContact O-N 3.38Å
131	P	96.9	Very high	94.6	Very high	75 Å²	75	55.1 Å²	55.1	49%	0.487	30%	0.298	S	S	.	.			trans	-79.2	51	175.4	35.7	-37.9	0	0	0	112.7	L109 R110	L109-P131 CarbonylContact O-C 3.23Å; L109-P131 VanDerWaalsContact O-C 3.24Å; L109-P131 VanDerWaalsContact O-CD 3.22Å; L109-P131 WeakPolarHBondContact O-CD 3.2Å; L109-P131 WeakPolarHBondContact O-CG 3.28Å; R110-P131 WeakPolarHBondContact CA-O 3.41Å; R110-P131 HydrophobicContact CG-CG 4.04Å
132	L	96.1	Very high	94.7	Very high	17 Å²	17	56.8 Å²	56.8	9%	0.089	31%	0.305	C	S	.	.			trans	-72.2	155	178	-69.4	170	0	0	0	111.4	L109 L112 L127 N130 I136 M137	L109-L132 HydrophobicContact CB-CD2 4.07Å; L109-L132 PolarHBondContact O-N 3.43Å; L112-L132 HydrophobicContact CD2-CD2 4.2Å; L112-L132 HydrophobicContact CG-CD2 3.99Å; L127-L132 HydrophobicContact CB-CD1 4.02Å; L127-L132 HydrophobicContact CD1-CD1 4.08Å; L127-L132 HydrophobicContact CD2-CD1 4.18Å; L127-L132 HydrophobicContact CG-CD1 4.32Å; N130-L132 HydrophobicContact CB-CD1 4.23Å; N130-L132 HydrophobicContact CB-CG 3.96Å; N130-L132 PolarHBondContact O-N 3.38Å; L132-I136 HydrophobicContact CD1-CG2 4.24Å; L132-M137 HydrophobicContact CB-CG 3.91Å; L132-M137 HydrophobicContact CB-SD 3.94Å; L132-M137 HydrophobicContact CD1-SD 3.87Å; L132-M137 HydrophobicContact CG-SD 4.48Å
133	A	94	Very high	94.4	Very high	53 Å²	53	61.9 Å²	61.9	44%	0.438	34%	0.339	S	S	.	.			trans	-57.3	144.3	173.8	0	0	0	0	0	111.7	E135 I136 M137	A133-E135 PolarHBondContact O-N 2.73Å; A133-I136 PolarHBondContact O-N 3.19Å; A133-I136 VanDerWaalsContact O-N 3.15Å; A133-M137 PolarHBondContact O-N 3.45Å; A133-M137 VanDerWaalsContact O-N 3.14Å
134	Q	92	Very high	94.3	Very high	142 Å²	142	60.6 Å²	60.6	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-58.2	-35.5	-175	-173.8	60.2	28	0	0	112.8	M137 S138	Q134-M137 PolarHBondContact O-N 3.47Å; Q134-S138 PolarHBondContact O-N 3.1Å; Q134-S138 PolarHBondContact O-OG 3.35Å
135	E	92.1	Very high	94.2	Very high	113 Å²	113	58 Å²	58	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-48.3	177	-178.7	-179.6	-165.3	0	0	112.6	A133 M137 S138 L139	A133-E135 PolarHBondContact O-N 2.73Å; E135-M137 VanDerWaalsContact C-N 3.31Å; E135-M137 PolarHBondContact O-N 2.85Å; E135-S138 WeakPolarHBondContact CA-OG 3.27Å; E135-S138 PolarHBondContact O-N 3.12Å; E135-S138 PolarHBondContact O-OG 2.97Å; E135-L139 PolarHBondContact O-N 3.08Å; E135-L139 VanDerWaalsContact O-N 3.12Å
136	I	94.1	Very high	94	Very high	20 Å²	20	58.9 Å²	58.9	10%	0.103	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176.7	-62.5	-62.6	0	0	0	110.4	L112 L132 A133 L139 Y140 L149 Y152	L112-I136 HydrophobicContact CD1-CG2 3.99Å; L132-I136 HydrophobicContact CD1-CG2 4.24Å; A133-I136 PolarHBondContact O-N 3.19Å; A133-I136 VanDerWaalsContact O-N 3.15Å; I136-L139 PolarHBondContact O-N 3.44Å; I136-Y140 WeakPolarHBondContact O-CB 3.25Å; I136-Y140 PolarHBondContact O-N 3.24Å; I136-L149 HydrophobicContact CD1-CD1 3.9Å; I136-L149 HydrophobicContact CG2-CD1 3.86Å; I136-L149 HydrophobicContact CG2-CD2 4.05Å; I136-Y152 HydrophobicContact CD1-CD1 4.29Å; I136-Y152 HydrophobicContact CD1-CE1 3.91Å
137	M	93.6	Very high	93.8	Very high	28 Å²	28	65.6 Å²	65.6	14%	0.138	35%	0.35	C	S	.	.	H	α-helix	trans	-66.9	-37.9	179	-69.9	-58.7	-61.9	0	0	112.3	L132 A133 Q134 E135 Y140 Q141	L132-M137 HydrophobicContact CB-CG 3.91Å; L132-M137 HydrophobicContact CB-SD 3.94Å; L132-M137 HydrophobicContact CD1-SD 3.87Å; L132-M137 HydrophobicContact CG-SD 4.48Å; A133-M137 PolarHBondContact O-N 3.45Å; A133-M137 VanDerWaalsContact O-N 3.14Å; Q134-M137 PolarHBondContact O-N 3.47Å; E135-M137 VanDerWaalsContact C-N 3.31Å; E135-M137 PolarHBondContact O-N 2.85Å; M137-Y140 HydrophobicContact CE-CD1 4.46Å; M137-Y140 PolarHBondContact O-N 2.95Å; M137-Q141 WeakPolarHBondContact O-CB 3.42Å; M137-Q141 WeakPolarHBondContact O-CG 3.29Å; M137-Q141 PolarHBondContact O-N 3.21Å
138	S	93.6	Very high	93.6	Very high	53 Å²	53	71.5 Å²	71.5	37%	0.371	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-46.3	175.2	47.2	0	0	0	0	111.7	Q134 E135 Y140 Q141 E142	Q134-S138 PolarHBondContact O-N 3.1Å; Q134-S138 PolarHBondContact O-OG 3.35Å; E135-S138 WeakPolarHBondContact CA-OG 3.27Å; E135-S138 PolarHBondContact O-N 3.12Å; E135-S138 PolarHBondContact O-OG 2.97Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; S138-Y140 PolarHBondContact O-N 2.72Å; S138-Q141 PolarHBondContact O-N 3.2Å; S138-E142 PolarHBondContact O-N 2.7Å
139	L	93.8	Very high	93.6	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-41.2	176.5	-71.1	171.6	0	0	0	111.9	E135 I136 Q141 G145 Y152	E135-L139 PolarHBondContact O-N 3.08Å; E135-L139 VanDerWaalsContact O-N 3.12Å; I136-L139 PolarHBondContact O-N 3.44Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; L139-Q141 PolarHBondContact O-N 2.96Å; L139-G145 WeakPolarHBondContact O-CA 3.35Å; L139-Y152 HydrophobicContact CD1-CD1 3.95Å; L139-Y152 HydrophobicContact CD1-CD2 4.04Å; L139-Y152 HydrophobicContact CD1-CE1 4.4Å; L139-Y152 HydrophobicContact CD1-CE2 4.49Å; L139-Y152 HydrophobicContact CD1-CG 3.75Å
140	Y	94.6	Very high	93.5	Very high	39 Å²	39	62.4 Å²	62.4	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-26.3	-179.9	178.7	-112.8	0	0	0	113.8	L125 L127 I136 M137 S138 L149	L125-Y140 WeakPolarHBondContact O-CE2 3.33Å; L125-Y140 VanDerWaalsContact O-CZ 3.24Å; L125-Y140 PolarHBondContact O-OH 3.25Å; L127-Y140 HydrophobicContact CB-CD1 4.34Å; L127-Y140 HydrophobicContact CB-CE1 4.02Å; L127-Y140 HydrophobicContact CD1-CD2 4.14Å; L127-Y140 HydrophobicContact CD1-CE2 4.34Å; L127-Y140 HydrophobicContact CD1-CG 4.28Å; L127-Y140 PolarHBondContact N-OH 2.87Å; I136-Y140 WeakPolarHBondContact O-CB 3.25Å; I136-Y140 PolarHBondContact O-N 3.24Å; M137-Y140 HydrophobicContact CE-CD1 4.46Å; M137-Y140 PolarHBondContact O-N 2.95Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; S138-Y140 PolarHBondContact O-N 2.72Å; Y140-L149 HydrophobicContact CD2-CD2 4.37Å
141	Q	93.1	Very high	93.3	Very high	136 Å²	136	63.3 Å²	63.3	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-81.7	-14.5	179.8	-76.6	173.3	2.2	0	0	113.8	M137 S138 L139	M137-Q141 WeakPolarHBondContact O-CB 3.42Å; M137-Q141 WeakPolarHBondContact O-CG 3.29Å; M137-Q141 PolarHBondContact O-N 3.21Å; S138-Q141 PolarHBondContact O-N 3.2Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; L139-Q141 PolarHBondContact O-N 2.96Å
142	E	92.7	Very high	93.2	Very high	79 Å²	79	62.8 Å²	62.8	37%	0.369	32%	0.315	S	S	.	.	S	Bend	trans	-68.2	161.3	175.8	-69.1	-172.3	167.3	0	0	112.3	S138 D144 G145 R148	S138-E142 PolarHBondContact O-N 2.7Å; E142-D144 PolarHBondContact O-N 3.41Å; E142-G145 WeakPolarHBondContact O-CA 3.47Å; E142-G145 PolarHBondContact O-N 3.33Å; E142-R148 IonicContact OE2-CZ 3.93Å; E142-R148 IonicContact OE2-NE 3.65Å; E142-R148 PolarHBondContact OE2-NE 2.77Å; E142-R148 IonicContact OE2-NH1 3.77Å; E142-R148 PolarHBondContact OE2-NH1 3Å; E142-R148 IonicContact OE2-NH2 3.61Å; E142-R148 PolarHBondContact OE2-NH2 3.11Å
143	P	89.7	Confident	93.1	Very high	111 Å²	111	62.1 Å²	62.1	72%	0.721	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	134.3	168.6	-22.6	33.6	0	0	0	110.6	G145 R148	P143-G145 PolarHBondContact O-N 2.77Å; P143-R148 WeakPolarHBondContact O-CD 3.18Å
144	D	89.1	Confident	93.1	Very high	85 Å²	85	59.7 Å²	59.7	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.7	-172.4	-151.8	9	0	0	0	113.9	E142 T146 R147 R148	E142-D144 PolarHBondContact O-N 3.41Å; D144-T146 PolarHBondContact O-N 3.39Å; D144-T146 VanDerWaalsContact O-N 3.12Å; D144-R147 PolarHBondContact O-N 3.15Å; D144-R147 WeakPolarHBondContact OD1-CD 3.04Å; D144-R147 VanDerWaalsContact OD1-CG 3.24Å; D144-R147 WeakPolarHBondContact OD1-CG 2.99Å; D144-R147 IonicContact OD1-CZ 3.65Å; D144-R147 IonicContact OD1-NE 3.85Å; D144-R147 IonicContact OD1-NH1 3.61Å; D144-R147 VanDerWaalsContact OD2-CD 3.31Å; D144-R147 WeakPolarHBondContact OD2-CD 3.45Å; D144-R147 IonicContact OD2-CZ 3.42Å; D144-R147 IonicContact OD2-NE 3.05Å; D144-R147 IonicContact OD2-NH1 3.57Å; D144-R147 PolarHBondContact OD2-NH1 3.1Å; D144-R148 PolarHBondContact O-N 2.82Å
145	G	92.8	Very high	93.1	Very high	6 Å²	6	55 Å²	55	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-29.9	-174.4	0	0	0	0	0	114.9	L139 E142 P143 L149	L139-G145 WeakPolarHBondContact O-CA 3.35Å; E142-G145 WeakPolarHBondContact O-CA 3.47Å; E142-G145 PolarHBondContact O-N 3.33Å; P143-G145 PolarHBondContact O-N 2.77Å; G145-L149 WeakPolarHBondContact O-CB 3.28Å; G145-L149 PolarHBondContact O-N 3.49Å
146	T	93.3	Very high	93.1	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-57.6	-56.9	170.3	-60	0	0	0	0	110.8	L125 D144 R148 L149 L150	L125-T146 HydrophobicContact CB-CG2 3.64Å; D144-T146 PolarHBondContact O-N 3.39Å; D144-T146 VanDerWaalsContact O-N 3.12Å; T146-R148 VanDerWaalsContact C-N 3.35Å; T146-R148 PolarHBondContact O-N 2.82Å; T146-L149 PolarHBondContact O-N 3.05Å; T146-L150 HydrophobicContact CG2-CD1 3.82Å; T146-L150 HydrophobicContact CG2-CG 4.49Å; T146-L150 WeakPolarHBondContact O-CG 3.28Å; T146-L150 PolarHBondContact O-N 3.27Å
147	R	92.2	Very high	92.8	Very high	145 Å²	145	52.7 Å²	52.7	55%	0.547	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-37.2	-176.8	-66.5	-166.6	-167.8	135.2	-10.1	112.5	D144 L150 S151	D144-R147 PolarHBondContact O-N 3.15Å; D144-R147 WeakPolarHBondContact OD1-CD 3.04Å; D144-R147 VanDerWaalsContact OD1-CG 3.24Å; D144-R147 WeakPolarHBondContact OD1-CG 2.99Å; D144-R147 IonicContact OD1-CZ 3.65Å; D144-R147 IonicContact OD1-NE 3.85Å; D144-R147 IonicContact OD1-NH1 3.61Å; D144-R147 VanDerWaalsContact OD2-CD 3.31Å; D144-R147 WeakPolarHBondContact OD2-CD 3.45Å; D144-R147 IonicContact OD2-CZ 3.42Å; D144-R147 IonicContact OD2-NE 3.05Å; D144-R147 IonicContact OD2-NH1 3.57Å; D144-R147 PolarHBondContact OD2-NH1 3.1Å; R147-L150 PolarHBondContact O-N 3.29Å; R147-S151 WeakPolarHBondContact O-CB 3.19Å; R147-S151 PolarHBondContact O-N 3.14Å; R147-S151 PolarHBondContact O-OG 3.37Å
148	R	92.8	Very high	92	Very high	125 Å²	125	53.9 Å²	53.9	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-45.3	177.6	-64	-176	103.2	171.8	-5.4	111.3	E142 P143 D144 T146 S151 Y152	E142-R148 IonicContact OE2-CZ 3.93Å; E142-R148 IonicContact OE2-NE 3.65Å; E142-R148 PolarHBondContact OE2-NE 2.77Å; E142-R148 IonicContact OE2-NH1 3.77Å; E142-R148 PolarHBondContact OE2-NH1 3Å; E142-R148 IonicContact OE2-NH2 3.61Å; E142-R148 PolarHBondContact OE2-NH2 3.11Å; P143-R148 WeakPolarHBondContact O-CD 3.18Å; D144-R148 PolarHBondContact O-N 2.82Å; T146-R148 VanDerWaalsContact C-N 3.35Å; T146-R148 PolarHBondContact O-N 2.82Å; R148-S151 PolarHBondContact O-N 2.85Å; R148-Y152 WeakPolarHBondContact O-CB 3.36Å; R148-Y152 PolarHBondContact O-N 2.99Å
149	L	95.3	Very high	90.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-46.2	175.8	177.3	57.9	0	0	0	111.7	L112 L125 L127 I136 Y140 G145 T146 S151 Y152 L153	L112-L149 HydrophobicContact CD1-CD2 3.87Å; L125-L149 HydrophobicContact CD2-CD2 4.12Å; L127-L149 HydrophobicContact CD1-CD2 3.62Å; I136-L149 HydrophobicContact CD1-CD1 3.9Å; I136-L149 HydrophobicContact CG2-CD1 3.86Å; I136-L149 HydrophobicContact CG2-CD2 4.05Å; Y140-L149 HydrophobicContact CD2-CD2 4.37Å; G145-L149 WeakPolarHBondContact O-CB 3.28Å; G145-L149 PolarHBondContact O-N 3.49Å; T146-L149 PolarHBondContact O-N 3.05Å; L149-S151 VanDerWaalsContact C-N 3.3Å; L149-S151 PolarHBondContact O-N 2.92Å; L149-Y152 HydrophobicContact CD1-CD1 4.45Å; L149-Y152 WeakPolarHBondContact O-CB 3.48Å; L149-Y152 PolarHBondContact O-N 3.17Å; L149-L153 HydrophobicContact CD1-CD1 4.23Å; L149-L153 HydrophobicContact CD1-CG 4.13Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.22Å; L149-L153 PolarHBondContact O-N 2.95Å
150	L	94.8	Very high	89.3	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-40.2	177.4	-66.1	168.9	0	0	0	111.8	L116 G117 L122 T146 R147 L153 L154	L116-L150 WeakPolarHBondContact O-CD2 3.29Å; G117-L150 WeakPolarHBondContact CA-O 3.32Å; L122-L150 HydrophobicContact CB-CD1 3.87Å; L122-L150 HydrophobicContact CD2-CD1 4.12Å; L122-L150 HydrophobicContact CD2-CD2 4.27Å; L122-L150 HydrophobicContact CG-CD1 4.49Å; T146-L150 HydrophobicContact CG2-CD1 3.82Å; T146-L150 HydrophobicContact CG2-CG 4.49Å; T146-L150 WeakPolarHBondContact O-CG 3.28Å; T146-L150 PolarHBondContact O-N 3.27Å; R147-L150 PolarHBondContact O-N 3.29Å; L150-L153 PolarHBondContact O-N 2.83Å; L150-L154 WeakPolarHBondContact O-CB 2.93Å; L150-L154 PolarHBondContact O-N 3.35Å
151	S	93.4	Very high	87.6	Confident	36 Å²	36	55.1 Å²	55.1	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-44.3	176.5	-57.4	0	0	0	0	111.5	R147 R148 L149 L153 L154 D155 R204	R147-S151 WeakPolarHBondContact O-CB 3.19Å; R147-S151 PolarHBondContact O-N 3.14Å; R147-S151 PolarHBondContact O-OG 3.37Å; R148-S151 PolarHBondContact O-N 2.85Å; L149-S151 VanDerWaalsContact C-N 3.3Å; L149-S151 PolarHBondContact O-N 2.92Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-L153 PolarHBondContact O-N 2.88Å; S151-L154 PolarHBondContact O-N 3.46Å; S151-D155 WeakPolarHBondContact O-CB 3.29Å; S151-D155 VanDerWaalsContact O-CG 3.24Å; S151-D155 PolarHBondContact O-N 2.9Å; S151-R204 PolarHBondContact OG-NH2 3.08Å
152	Y	94.1	Very high	85.6	Confident	64 Å²	64	58.8 Å²	58.8	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-57.5	-46.3	173.4	172.2	-97.8	0	0	0	111.8	F114 I136 L139 R148 L149 N156	F114-Y152 HydrophobicContact CE1-CE1 4.39Å; I136-Y152 HydrophobicContact CD1-CD1 4.29Å; I136-Y152 HydrophobicContact CD1-CE1 3.91Å; L139-Y152 HydrophobicContact CD1-CD1 3.95Å; L139-Y152 HydrophobicContact CD1-CD2 4.04Å; L139-Y152 HydrophobicContact CD1-CE1 4.4Å; L139-Y152 HydrophobicContact CD1-CE2 4.49Å; L139-Y152 HydrophobicContact CD1-CG 3.75Å; R148-Y152 WeakPolarHBondContact O-CB 3.36Å; R148-Y152 PolarHBondContact O-N 2.99Å; L149-Y152 HydrophobicContact CD1-CD1 4.45Å; L149-Y152 WeakPolarHBondContact O-CB 3.48Å; L149-Y152 PolarHBondContact O-N 3.17Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.35Å; Y152-N156 VanDerWaalsContact CE2-ND2 3.31Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.31Å; Y152-N156 WeakPolarHBondContact O-CB 3.39Å; Y152-N156 PolarHBondContact O-N 3.17Å; Y152-N156 PolarHBondContact O-ND2 2.82Å
153	L	94.7	Very high	83.3	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-41.8	178.4	-67.2	174	0	0	0	111.7	L112 F114 L116 L149 L150 S151 L157	L112-L153 HydrophobicContact CB-CD1 4.41Å; L112-L153 HydrophobicContact CD1-CD1 4.44Å; F114-L153 HydrophobicContact CD1-CB 4.44Å; F114-L153 HydrophobicContact CD1-CD2 3.9Å; F114-L153 WeakPolarHBondContact CD1-O 3.49Å; F114-L153 HydrophobicContact CE1-CD2 4.18Å; F114-L153 HydrophobicContact CG-CD2 4.32Å; L116-L153 HydrophobicContact CB-CD1 3.96Å; L149-L153 HydrophobicContact CD1-CD1 4.23Å; L149-L153 HydrophobicContact CD1-CG 4.13Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.22Å; L149-L153 PolarHBondContact O-N 2.95Å; L150-L153 PolarHBondContact O-N 2.83Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-L153 PolarHBondContact O-N 2.88Å; L153-L157 PolarHBondContact O-N 2.84Å; L153-L157 VanDerWaalsContact O-N 3.12Å
154	L	93.3	Very high	81.2	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-42.1	179.5	-175.1	54	0	0	0	112.2	K118 L150 S151 N156 L157 G208 P211	K118-L154 HydrophobicContact CG-CD1 4.27Å; L150-L154 WeakPolarHBondContact O-CB 2.93Å; L150-L154 PolarHBondContact O-N 3.35Å; S151-L154 PolarHBondContact O-N 3.46Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 2.76Å; L154-L157 HydrophobicContact CD1-CD2 4.06Å; L154-L157 WeakPolarHBondContact O-CB 3.41Å; L154-L157 PolarHBondContact O-N 2.91Å; L154-G208 WeakPolarHBondContact CD2-O 2.85Å; L154-P211 HydrophobicContact CD1-CG 4.09Å; L154-P211 HydrophobicContact CG-CB 4.45Å; L154-P211 HydrophobicContact CG-CG 4.02Å
155	D	92.8	Very high	79.2	Confident	44 Å²	44	62.5 Å²	62.5	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-30.2	-177.5	-70.5	-7.6	0	0	0	111.9	S151 R204 P211 S212 W213	S151-D155 WeakPolarHBondContact O-CB 3.29Å; S151-D155 VanDerWaalsContact O-CG 3.24Å; S151-D155 PolarHBondContact O-N 2.9Å; D155-R204 IonicContact OD1-NH1 3.25Å; D155-R204 PolarHBondContact OD1-NH1 2.95Å; D155-P211 WeakPolarHBondContact OD1-CA 3.32Å; D155-S212 PolarHBondContact OD1-N 2.67Å; D155-S212 PolarHBondContact OD1-OG 3.11Å; D155-S212 VanDerWaalsContact OD2-CB 3.26Å; D155-S212 WeakPolarHBondContact OD2-CB 3.45Å; D155-S212 PolarHBondContact OD2-OG 2.67Å; D155-W213 PolarHBondContact O-NE1 3.4Å
156	N	91.2	Very high	77.3	Confident	67 Å²	67	68.5 Å²	68.5	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.8	177.5	-70	-79.2	0	0	0	114.1	F114 Y152 L154 A158 G159 A160	F114-N156 HydrophobicContact CD1-CB 3.7Å; F114-N156 HydrophobicContact CE1-CB 3.43Å; F114-N156 VanDerWaalsContact CE1-CB 3.43Å; F114-N156 HydrophobicContact CZ-CB 4.47Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.35Å; Y152-N156 VanDerWaalsContact CE2-ND2 3.31Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.31Å; Y152-N156 WeakPolarHBondContact O-CB 3.39Å; Y152-N156 PolarHBondContact O-N 3.17Å; Y152-N156 PolarHBondContact O-ND2 2.82Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 2.76Å; N156-A158 VanDerWaalsContact C-N 3.33Å; N156-A158 PolarHBondContact O-N 2.8Å; N156-G159 PolarHBondContact O-N 3.13Å; N156-A160 WeakPolarHBondContact O-CB 3.32Å; N156-A160 PolarHBondContact O-N 3.45Å
157	L	87.9	Confident	75.9	Confident	16 Å²	16	73.2 Å²	73.2	8%	0.084	38%	0.378	C	S	.	.	H	α-helix	trans	-55.3	-45.8	-178	-173.2	70.7	0	0	0	112.5	F114 E115 K118 L153 L154 G159 A160 I161	F114-L157 VanDerWaalsContact C-CD1 3.42Å; F114-L157 HydrophobicContact CB-CD1 3.66Å; E115-L157 HydrophobicContact CB-CD1 4.47Å; E115-L157 HydrophobicContact CG-CD1 4.05Å; K118-L157 HydrophobicContact CG-CD2 4.37Å; L153-L157 PolarHBondContact O-N 2.84Å; L153-L157 VanDerWaalsContact O-N 3.12Å; L154-L157 HydrophobicContact CD1-CD2 4.06Å; L154-L157 WeakPolarHBondContact O-CB 3.41Å; L154-L157 PolarHBondContact O-N 2.91Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.24Å; L157-A160 PolarHBondContact O-N 3.07Å; L157-I161 HydrophobicContact CD1-CD1 3.29Å; L157-I161 HydrophobicContact CD1-CG1 4.17Å; L157-I161 HydrophobicContact CG-CD1 3.73Å; L157-I161 WeakPolarHBondContact O-CG1 3.36Å; L157-I161 PolarHBondContact O-N 2.74Å
158	A	76.4	Confident	75.2	Confident	53 Å²	53	73.8 Å²	73.8	44%	0.438	39%	0.387	S	S	.	.	H	α-helix	trans	-65.8	-33.4	-178	0	0	0	0	0	113.1	N156 W213	N156-A158 VanDerWaalsContact C-N 3.33Å; N156-A158 PolarHBondContact O-N 2.8Å; A158-W213 HydrophobicContact CB-CZ2 3.9Å
159	G	69.4	Low	74.9	Confident	75 Å²	75	69.7 Å²	69.7	77%	0.773	38%	0.376	S	S	*	.	H	α-helix	trans	-80	-29.6	177.6	0	0	0	0	0	113.5	N156 L157	N156-G159 PolarHBondContact O-N 3.13Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.24Å
160	A	61	Low	74.7	Confident	48 Å²	48	72.2 Å²	72.2	40%	0.397	39%	0.393	S	S	.	.	H	α-helix	trans	-80	-29.5	-177.9	0	0	0	0	0	113.5	F114 N156 L157	F114-A160 HydrophobicContact CB-CB 4.23Å; F114-A160 HydrophobicContact CD1-CB 4.17Å; F114-A160 HydrophobicContact CD2-CB 3.26Å; F114-A160 HydrophobicContact CE1-CB 4.39Å; F114-A160 HydrophobicContact CE2-CB 3.5Å; F114-A160 HydrophobicContact CG-CB 3.63Å; F114-A160 HydrophobicContact CZ-CB 4.08Å; N156-A160 WeakPolarHBondContact O-CB 3.32Å; N156-A160 PolarHBondContact O-N 3.45Å; L157-A160 PolarHBondContact O-N 3.07Å
161	I	60.1	Low	74.6	Confident	36 Å²	36	76.5 Å²	76.5	19%	0.185	43%	0.429	C	S	.	.			trans	-101.4	99.7	-173.5	-54.7	178.1	0	0	0	110	E115 L157 R163 I164	E115-I161 HydrophobicContact CG-CD1 4.15Å; E115-I161 WeakPolarHBondContact OE1-CD1 3.39Å; L157-I161 HydrophobicContact CD1-CD1 3.29Å; L157-I161 HydrophobicContact CD1-CG1 4.17Å; L157-I161 HydrophobicContact CG-CD1 3.73Å; L157-I161 WeakPolarHBondContact O-CG1 3.36Å; L157-I161 PolarHBondContact O-N 2.74Å; I161-R163 HydrophobicContact CG2-CB 3.74Å; I161-R163 PolarHBondContact O-N 3.31Å; I161-I164 HydrophobicContact CB-CD1 4.41Å; I161-I164 HydrophobicContact CB-CG1 3.95Å; I161-I164 HydrophobicContact CD1-CD1 4.48Å; I161-I164 HydrophobicContact CD1-CG1 4.29Å; I161-I164 HydrophobicContact CG2-CG1 3.8Å; I161-I164 VanDerWaalsContact CG2-N 3.34Å
162	K	50.4	Low	74.6	Confident	213 Å²	213	76.6 Å²	76.6	93%	0.926	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	12.2	165.5	-70.4	-173.4	176.8	-177.5	0	114.2
163	R	43.8	Very low	74.6	Confident	223 Å²	223	77.6 Å²	77.6	84%	0.842	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	4.5	-164.1	-71.1	-171.3	179.7	-178.8	-0.5	114.7	I161 P165	I161-R163 HydrophobicContact CG2-CB 3.74Å; I161-R163 PolarHBondContact O-N 3.31Å; R163-P165 WeakPolarHBondContact O-CD 3.29Å
164	I	47.5	Very low	74.7	Confident	69 Å²	69	82.6 Å²	82.6	35%	0.354	46%	0.459	S	S	.	.	S	Bend	trans	-66	123.7	159.3	-56.3	176.7	0	0	0	102.9	I161 T166	I161-I164 HydrophobicContact CB-CD1 4.41Å; I161-I164 HydrophobicContact CB-CG1 3.95Å; I161-I164 HydrophobicContact CD1-CD1 4.48Å; I161-I164 HydrophobicContact CD1-CG1 4.29Å; I161-I164 HydrophobicContact CG2-CG1 3.8Å; I161-I164 VanDerWaalsContact CG2-N 3.34Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 2.9Å
165	P	47	Very low	74.8	Confident	61 Å²	61	84.8 Å²	84.8	40%	0.396	47%	0.471	S	S	.	.			trans	-53.7	113	165.4	-15.6	28.8	0	0	0	104.6	R163 E167	R163-P165 WeakPolarHBondContact O-CD 3.29Å; P165-E167 HydrophobicContact CB-CB 3.91Å; P165-E167 HydrophobicContact CB-CG 3.72Å; P165-E167 PolarHBondContact O-N 3.48Å
166	T	51.5	Low	75	Confident	132 Å²	132	87.3 Å²	87.3	81%	0.81	49%	0.492	S	S	*	.			trans	-64.4	37.1	161.2	45	0	0	0	0	109.5	I164 Q168	I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 2.9Å; T166-Q168 PolarHBondContact O-N 3.34Å
167	E	64.8	Low	75.1	Confident	118 Å²	118	87.6 Å²	87.6	55%	0.551	49%	0.493	S	S	*	.			trans	-85.2	94.7	175.2	-71.7	-175.4	178.9	0	0	104.4	P165 W513	P165-E167 HydrophobicContact CB-CB 3.91Å; P165-E167 HydrophobicContact CB-CG 3.72Å; P165-E167 PolarHBondContact O-N 3.48Å; E167-W513 PolarHBondContact O-NE1 2.87Å
168	Q	78.2	Confident	75.3	Confident	158 Å²	158	91 Å²	91	74%	0.738	51%	0.508	S	S	*	.			trans	-43.7	143.6	163.7	-67.8	-177.8	-16.1	0	0	109	T166	T166-Q168 PolarHBondContact O-N 3.34Å
169	P	86.3	Confident	76	Confident	38 Å²	38	96.1 Å²	96.1	25%	0.247	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-52.2	137.1	176.7	21	-31.7	0	0	0	109.4	L509 W513 H526	P169-L509 HydrophobicContact CB-CD1 3.71Å; P169-L509 HydrophobicContact CB-CD2 4.38Å; P169-W513 HydrophobicContact CB-CD2 4.28Å; P169-W513 HydrophobicContact CB-CE3 4.33Å; P169-W513 HydrophobicContact CB-CH2 4.06Å; P169-W513 HydrophobicContact CB-CZ2 3.98Å; P169-W513 HydrophobicContact CB-CZ3 4.22Å; P169-H526 HydrophobicContact CG-CB 4.11Å
170	P	90.7	Very high	76.8	Confident	53 Å²	53	95.2 Å²	95.2	34%	0.344	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-59.1	147.4	177.2	25.5	-34.1	0	0	0	109.7	R172 L509 D510 W513	P170-R172 PolarHBondContact O-N 2.86Å; P170-L509 HydrophobicContact CG-CD1 4.36Å; P170-D510 HydrophobicContact CG-CB 3.88Å; P170-W513 VanDerWaalsContact CD-CD1 3.48Å; P170-W513 HydrophobicContact CG-CB 4.22Å; P170-W513 HydrophobicContact CG-CG 4.36Å
171	A	91.3	Very high	77.8	Confident	97 Å²	97	94.7 Å²	94.7	80%	0.802	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-57.7	136.4	173.2	0	0	0	0	0	109.8
172	R	94.8	Very high	78.8	Confident	38 Å²	38	103.4 Å²	103.4	14%	0.143	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-67.7	137.8	179.7	-69.1	169.7	61.2	-169.9	0.4	110.5	P170 E227 L506 G507 L509 S533	P170-R172 PolarHBondContact O-N 2.86Å; R172-E227 IonicContact NH1-OE1 3.89Å; R172-L506 HydrophobicContact CB-CD1 3.68Å; R172-L506 HydrophobicContact CB-CD2 4.3Å; R172-L506 HydrophobicContact CB-CG 3.88Å; R172-L506 PolarHBondContact NH2-O 3.26Å; R172-G507 VanDerWaalsContact CZ-O 3.23Å; R172-G507 PolarHBondContact NE-O 2.95Å; R172-G507 PolarHBondContact NH2-O 3.5Å; R172-L509 HydrophobicContact CG-CB 4.49Å; R172-S533 VanDerWaalsContact CZ-O 3.27Å; R172-S533 PolarHBondContact NH1-O 2.7Å; R172-S533 PolarHBondContact NH1-OG 3.11Å; R172-S533 PolarHBondContact NH2-O 2.75Å
173	S	94.1	Very high	80	Confident	86 Å²	86	98.9 Å²	98.9	60%	0.601	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-77.5	137.7	-176.6	-61.3	0	0	0	0	112.2	G507	S173-G507 WeakPolarHBondContact O-CA 3.38Å; S173-G507 PolarHBondContact O-N 2.8Å
174	W	96.4	Very high	81.4	Confident	107 Å²	107	92.4 Å²	92.4	41%	0.405	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.3	169.1	-175.1	-102.4	0	0	0	111	G504 Y535 Q537	W174-G504 VanDerWaalsContact CH2-C 3.46Å; W174-G504 WeakPolarHBondContact CH2-O 3.45Å; W174-G504 VanDerWaalsContact CZ2-CA 3.47Å; W174-Y535 HydrophobicContact CH2-CD1 4.04Å; W174-Y535 AromaticContact CH2-CE1 3.74Å; W174-Y535 HydrophobicContact CH2-CE1 3.74Å; W174-Y535 AromaticContact CZ3-CD1 3.51Å; W174-Y535 HydrophobicContact CZ3-CD1 3.51Å; W174-Y535 AromaticContact CZ3-CE1 3.43Å; W174-Y535 HydrophobicContact CZ3-CE1 3.43Å; W174-Y535 VanDerWaalsContact CZ3-CE1 3.43Å; W174-Q537 HydrophobicContact CH2-CB 3.68Å; W174-Q537 HydrophobicContact CZ2-CB 3.86Å
175	I	95.8	Very high	82.9	Confident	49 Å²	49	91 Å²	91	25%	0.251	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.4	175.3	-53.5	174.2	0	0	0	108.3	L177 G504 I505	I175-L177 HydrophobicContact CG2-CD2 4.03Å; I175-G504 CarbonylContact O-C 3.19Å; I175-G504 WeakPolarHBondContact O-CA 3.03Å; I175-I505 HydrophobicContact CB-CG1 3.99Å; I175-I505 HydrophobicContact CD1-CD1 4.31Å; I175-I505 PolarHBondContact N-O 3.44Å; I175-I505 PolarHBondContact O-N 3.14Å
176	S	95.8	Very high	84.6	Confident	97 Å²	97	88.6 Å²	88.6	68%	0.678	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.1	172.7	-59.5	0	0	0	0	110.2
177	L	94	Very high	86.4	Confident	73 Å²	73	82.4 Å²	82.4	38%	0.382	43%	0.433	S	S	.	.			trans	-103.1	-40.7	-177.8	-62.8	178.9	0	0	0	112.2	I175 L476 V502 L503 I505	I175-L177 HydrophobicContact CG2-CD2 4.03Å; L177-L476 HydrophobicContact CD2-CD1 4.15Å; L177-V502 HydrophobicContact CD1-CG1 3.84Å; L177-L503 PolarHBondContact N-O 3.23Å; L177-I505 HydrophobicContact CD1-CG1 4.41Å; L177-I505 HydrophobicContact CD1-CG2 4.21Å
178	Q	92.8	Very high	87.8	Confident	87 Å²	87	80.2 Å²	80.2	41%	0.407	43%	0.425	S	S	.	.			trans	-156.2	158.9	177.5	69	-171.4	26.9	0	0	111.3	N501 V502 L503	Q178-N501 VanDerWaalsContact NE2-CG 3.29Å; Q178-V502 VanDerWaalsContact CG-O 3.24Å; Q178-V502 WeakPolarHBondContact CG-O 3.5Å; Q178-L503 HydrophobicContact CG-CD2 4.02Å; Q178-L503 PolarHBondContact N-O 2.97Å
179	E	90.2	Very high	88.6	Confident	160 Å²	160	72.9 Å²	72.9	75%	0.748	39%	0.391	S	S	*	.			trans	-79.7	154.5	172.6	-65.7	-167.6	172.3	0	0	111.9
180	P	86.4	Confident	89.2	Confident	57 Å²	57	71.3 Å²	71.3	37%	0.37	38%	0.381	S	S	.	.			trans	-57.7	140.6	174.4	-22.4	31.3	0	0	0	113.3	R182 L503 E539	P180-R182 PolarHBondContact O-N 3.35Å; P180-R182 VanDerWaalsContact O-N 3.12Å; P180-L503 HydrophobicContact CB-CD1 4.41Å; P180-L503 HydrophobicContact CG-CD1 3.91Å; P180-L503 HydrophobicContact CG-CD2 4.44Å; P180-E539 WeakPolarHBondContact CA-OE1 3.5Å; P180-E539 VanDerWaalsContact CB-OE1 3.31Å; P180-E539 WeakPolarHBondContact CB-OE1 3.35Å
181	D	81.7	Confident	89.6	Confident	37 Å²	37	68.8 Å²	68.8	20%	0.198	36%	0.364	C	S	.	.			trans	-72.4	102.4	174.1	-177.9	0.2	0	0	0	110	T183 R184 E539 L541	D181-T183 VanDerWaalsContact C-N 3.25Å; D181-T183 PolarHBondContact O-N 3.42Å; D181-T183 VanDerWaalsContact OD1-CB 3.3Å; D181-T183 WeakPolarHBondContact OD1-CB 3.5Å; D181-T183 PolarHBondContact OD1-N 2.9Å; D181-T183 PolarHBondContact OD1-OG1 3.01Å; D181-T183 PolarHBondContact OD2-OG1 3.43Å; D181-R184 IonicContact OD2-CZ 2.85Å; D181-R184 IonicContact OD2-NE 2.73Å; D181-R184 PolarHBondContact OD2-NE 3.43Å; D181-R184 IonicContact OD2-NH2 3.33Å; D181-R184 PolarHBondContact OD2-NH2 3.43Å; D181-E539 PolarHBondContact N-OE1 3.48Å; D181-E539 PolarHBondContact N-OE2 3.08Å; D181-L541 HydrophobicContact CB-CD2 4.08Å
182	R	80.6	Confident	90	Very high	219 Å²	219	64.2 Å²	64.2	83%	0.826	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.8	178.6	-59.8	-173.8	-176.1	-176.3	2.7	114	P180	P180-R182 PolarHBondContact O-N 3.35Å; P180-R182 VanDerWaalsContact O-N 3.12Å
183	T	77.1	Confident	90.2	Very high	117 Å²	117	62.4 Å²	62.4	72%	0.718	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-20.8	-176.3	71.1	0	0	0	0	112.8	D181	D181-T183 VanDerWaalsContact C-N 3.25Å; D181-T183 PolarHBondContact O-N 3.42Å; D181-T183 VanDerWaalsContact OD1-CB 3.3Å; D181-T183 WeakPolarHBondContact OD1-CB 3.5Å; D181-T183 PolarHBondContact OD1-N 2.9Å; D181-T183 PolarHBondContact OD1-OG1 3.01Å; D181-T183 PolarHBondContact OD2-OG1 3.43Å
184	R	73.6	Confident	90.4	Very high	88 Å²	88	58.6 Å²	58.6	33%	0.332	29%	0.292	S	S	.	.	S	Bend	trans	-128.8	150.9	-178.9	-70.1	-177.8	-69.1	169	-1.8	110.8	D181 A186	D181-R184 IonicContact OD2-CZ 2.85Å; D181-R184 IonicContact OD2-NE 2.73Å; D181-R184 PolarHBondContact OD2-NE 3.43Å; D181-R184 IonicContact OD2-NH2 3.33Å; D181-R184 PolarHBondContact OD2-NH2 3.43Å; R184-A186 PolarHBondContact O-N 2.96Å
185	P	77.3	Confident	90.5	Very high	38 Å²	38	53.5 Å²	53.5	25%	0.247	27%	0.273	C	S	.	.			trans	-62.9	130.6	170.1	27.3	-32.2	0	0	0	109.2	L542	P185-L542 HydrophobicContact CB-CB 4.46Å; P185-L542 HydrophobicContact CB-CD1 4.32Å; P185-L542 HydrophobicContact CG-CB 4.21Å; P185-L542 VanDerWaalsContact O-CB 3.31Å; P185-L542 WeakPolarHBondContact O-CB 3.35Å; P185-L542 PolarHBondContact O-N 3.28Å
186	A	84.1	Confident	90.6	Very high	12 Å²	12	51.2 Å²	51.2	10%	0.099	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.2	-177.4	0	0	0	0	0	111.7	R184 S342 E539 L540 L541	R184-A186 PolarHBondContact O-N 2.96Å; A186-S342 WeakPolarHBondContact O-CB 3.39Å; A186-S342 PolarHBondContact O-OG 2.9Å; A186-E539 HydrophobicContact CB-CG 3.62Å; A186-L540 CarbonylContact C-O 3.52Å; A186-L540 WeakPolarHBondContact CA-O 3.43Å; A186-L540 WeakPolarHBondContact CB-O 3.38Å; A186-L541 HydrophobicContact CB-CD2 4.37Å
187	T	88.8	Confident	90.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.6	178	-62.5	0	0	0	0	109.4	V334 M338 L540	T187-V334 HydrophobicContact CG2-CG1 4.14Å; T187-M338 HydrophobicContact CG2-CE 3.37Å; T187-M338 HydrophobicContact CG2-CG 3.64Å; T187-M338 HydrophobicContact CG2-SD 3.29Å; T187-M338 WeakPolarHBondContact CG2-SD 3.42Å; T187-L540 PolarHBondContact N-O 3.25Å; T187-L540 PolarHBondContact O-N 3.08Å
188	L	93.3	Very high	90.9	Very high	72 Å²	72	43.2 Å²	43.2	38%	0.377	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.5	-178.8	-57.5	-176	0	0	0	110.8	M338 L503 L538 E539	L188-M338 WeakPolarHBondContact O-CE 3.32Å; L188-L503 HydrophobicContact CD1-CD1 4.39Å; L188-L503 HydrophobicContact CD2-CD1 3.52Å; L188-L538 WeakPolarHBondContact CA-O 3.22Å; L188-E539 HydrophobicContact CD2-CB 3.61Å; L188-E539 HydrophobicContact CD2-CG 3.81Å
189	F	96.8	Very high	91	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.5	173.7	67.8	-76.7	0	0	0	110.9	V191 D234 I235 F292 M338 L355 V408 L500 L538 L540	F189-V191 HydrophobicContact CD2-CG2 3.79Å; F189-V191 HydrophobicContact CE2-CG2 3.47Å; F189-V191 VanDerWaalsContact CE2-CG2 3.47Å; F189-D234 VanDerWaalsContact CA-OD2 3.22Å; F189-D234 WeakPolarHBondContact CA-OD2 3.16Å; F189-D234 HydrophobicContact CB-CB 4.2Å; F189-I235 HydrophobicContact CD2-CD1 3.74Å; F189-I235 HydrophobicContact CD2-CG1 4.38Å; F189-I235 HydrophobicContact CE2-CD1 3.79Å; F189-F292 HydrophobicContact CB-CZ 3.93Å; F189-F292 HydrophobicContact CD2-CZ 4.13Å; F189-F292 HydrophobicContact CG-CZ 4.03Å; F189-M338 HydrophobicContact CB-CE 4.19Å; F189-L355 HydrophobicContact CE1-CD2 4.43Å; F189-L355 HydrophobicContact CE2-CD2 3.84Å; F189-L355 HydrophobicContact CZ-CD1 4.44Å; F189-L355 HydrophobicContact CZ-CD2 3.76Å; F189-V408 HydrophobicContact CE2-CG2 4.35Å; F189-V408 HydrophobicContact CZ-CG2 4.2Å; F189-L500 HydrophobicContact CE1-CD2 3.73Å; F189-L500 HydrophobicContact CZ-CD2 3.82Å; F189-L538 HydrophobicContact CD1-CB 4.4Å; F189-L538 HydrophobicContact CE1-CB 3.89Å; F189-L538 HydrophobicContact CE2-CB 4.26Å; F189-L538 HydrophobicContact CE2-CD1 3.97Å; F189-L538 HydrophobicContact CZ-CB 3.83Å; F189-L538 HydrophobicContact CZ-CD1 3.83Å; F189-L538 HydrophobicContact CZ-CG 4.43Å; F189-L538 PolarHBondContact N-O 3.33Å; F189-L538 PolarHBondContact O-N 2.93Å; F189-L538 VanDerWaalsContact O-O 3.11Å; F189-L540 HydrophobicContact CE1-CB 4Å
190	S	98.3	Very high	91.2	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.9	176.1	50.9	0	0	0	0	112.9	A233 D234 I235 Y535 A536	S190-A233 WeakPolarHBondContact OG-CA 3.45Å; S190-D234 PolarHBondContact N-OD2 2.74Å; S190-D234 VanDerWaalsContact N-OD2 3.1Å; S190-D234 PolarHBondContact O-N 3.11Å; S190-D234 VanDerWaalsContact O-N 3.11Å; S190-D234 PolarHBondContact OG-N 3.37Å; S190-I235 PolarHBondContact O-N 2.95Å; S190-Y535 WeakPolarHBondContact CB-OH 3.26Å; S190-Y535 PolarHBondContact OG-OH 3.21Å; S190-Y535 VanDerWaalsContact OG-OH 3.11Å; S190-A536 CarbonylContact C-O 3.39Å; S190-A536 VanDerWaalsContact CA-O 3.31Å; S190-A536 WeakPolarHBondContact CA-O 2.85Å
191	V	98.8	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.2	-179.4	-175.4	0	0	0	0	109.4	F189 I235 V408 C410 I493 Y535 A536 L538	F189-V191 HydrophobicContact CD2-CG2 3.79Å; F189-V191 HydrophobicContact CE2-CG2 3.47Å; F189-V191 VanDerWaalsContact CE2-CG2 3.47Å; V191-I235 CarbonylContact C-O 3.51Å; V191-I235 WeakPolarHBondContact CA-O 3.41Å; V191-I235 HydrophobicContact CG2-CB 4.38Å; V191-V408 HydrophobicContact CG1-CG1 3.93Å; V191-V408 HydrophobicContact CG2-CG1 4.14Å; V191-C410 VanDerWaalsContact CG1-SG 3.59Å; V191-I493 HydrophobicContact CG1-CD1 4.44Å; V191-I493 HydrophobicContact CG1-CG2 4.42Å; V191-Y535 WeakPolarHBondContact O-CA 3Å; V191-A536 PolarHBondContact N-O 3.21Å; V191-A536 PolarHBondContact O-N 2.86Å; V191-L538 HydrophobicContact CG2-CD1 3.72Å; V191-L538 HydrophobicContact CG2-CG 4.31Å
192	M	98.8	Very high	92.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.3	171.1	178.1	177.8	178.9	0	0	110.6	Y194 E227 I228 C231 A233 I235 I236 S237 L534 Y535	M192-Y194 HydrophobicContact CE-CD1 3.52Å; M192-Y194 HydrophobicContact CE-CE1 4.41Å; M192-Y194 HydrophobicContact CE-CG 3.84Å; M192-E227 HydrophobicContact CE-CG 4.25Å; M192-I228 HydrophobicContact CE-CB 4.34Å; M192-I228 HydrophobicContact CE-CG1 3.68Å; M192-I228 HydrophobicContact SD-CB 4.47Å; M192-I228 HydrophobicContact SD-CG1 4.27Å; M192-I228 HydrophobicContact SD-CG2 4.49Å; M192-C231 HydrophobicContact SD-CB 4.16Å; M192-A233 HydrophobicContact CB-CB 3.57Å; M192-I235 PolarHBondContact N-O 3.02Å; M192-I236 HydrophobicContact CB-CG1 4.39Å; M192-I236 HydrophobicContact CB-CG2 4.38Å; M192-I236 HydrophobicContact CG-CG2 4.37Å; M192-I236 HydrophobicContact SD-CG2 4.13Å; M192-S237 PolarHBondContact O-N 3.32Å; M192-L534 CarbonylContact C-O 3.46Å; M192-L534 VanDerWaalsContact CA-O 3.23Å; M192-L534 WeakPolarHBondContact CA-O 3.28Å; M192-Y535 HydrophobicContact CB-CD2 4.39Å
193	C	98.8	Very high	93.1	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.3	169.1	-177.5	0	0	0	0	108.9	S237 Q239 C410 I493 L534	C193-S237 WeakPolarHBondContact CA-O 3.45Å; C193-Q239 PolarHBondContact SG-NE2 2.91Å; C193-Q239 VanDerWaalsContact SG-NE2 3.37Å; C193-C410 HydrophobicContact CB-CB 3.95Å; C193-I493 HydrophobicContact CB-CD1 4.04Å; C193-I493 HydrophobicContact CB-CG1 3.68Å; C193-L534 HydrophobicContact CB-CB 4.22Å; C193-L534 PolarHBondContact N-O 3.34Å; C193-L534 PolarHBondContact O-N 3.2Å
194	Y	98.9	Very high	93.7	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	118.3	-174	-172.5	-148	0	0	0	113.6	M192 V196 I224 E227 I228 S237 L238 Q239 S529 H531	M192-Y194 HydrophobicContact CE-CD1 3.52Å; M192-Y194 HydrophobicContact CE-CE1 4.41Å; M192-Y194 HydrophobicContact CE-CG 3.84Å; Y194-V196 HydrophobicContact CD1-CG1 3.75Å; Y194-V196 HydrophobicContact CE1-CG1 4Å; Y194-V196 HydrophobicContact CG-CG1 4.34Å; Y194-I224 HydrophobicContact CE1-CG2 4.26Å; Y194-E227 HydrophobicContact CE1-CG 4.19Å; Y194-I228 HydrophobicContact CD1-CG1 4.42Å; Y194-S237 PolarHBondContact N-O 3.04Å; Y194-L238 HydrophobicContact CD1-CD2 4.39Å; Y194-L238 VanDerWaalsContact O-CA 3.29Å; Y194-L238 WeakPolarHBondContact O-CA 3.48Å; Y194-Q239 PolarHBondContact O-N 3.13Å; Y194-Q239 VanDerWaalsContact O-N 3.11Å; Y194-Q239 PolarHBondContact O-OE1 3.35Å; Y194-S529 WeakPolarHBondContact OH-CB 3.34Å; Y194-H531 WeakPolarHBondContact CE2-O 3.4Å
195	N	98.8	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.8	165.6	-176.7	-21.2	0	0	0	108.7	L197 Q239 E240 D412 S529 H531	N195-L197 PolarHBondContact OD1-N 3.22Å; N195-L197 VanDerWaalsContact OD1-N 3.08Å; N195-Q239 HydrophobicContact CB-CB 4.12Å; N195-Q239 VanDerWaalsContact N-OE1 3.09Å; N195-E240 PolarHBondContact ND2-OE1 2.77Å; N195-E240 VanDerWaalsContact ND2-OE1 3.13Å; N195-E240 WeakPolarHBondContact OD1-CB 3.23Å; N195-E240 WeakPolarHBondContact OD1-CG 3.19Å; N195-D412 PolarHBondContact ND2-OD2 2.86Å; N195-S529 PolarHBondContact O-OG 3.41Å; N195-H531 HydrophobicContact CB-CB 4.08Å; N195-H531 PolarHBondContact ND2-NE2 3.34Å
196	V	98.4	Very high	95.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.177	C	C	.	.			trans	-89.7	-1.7	-171.3	-58.9	0	0	0	0	114.3	Y194 R220 I224 L238 Q239 E240 V241 F250	Y194-V196 HydrophobicContact CD1-CG1 3.75Å; Y194-V196 HydrophobicContact CE1-CG1 4Å; Y194-V196 HydrophobicContact CG-CG1 4.34Å; V196-R220 PolarHBondContact O-NH1 3.08Å; V196-I224 HydrophobicContact CB-CD1 4.25Å; V196-I224 HydrophobicContact CB-CG2 4.09Å; V196-I224 HydrophobicContact CG1-CG2 3.79Å; V196-I224 WeakPolarHBondContact O-CD1 3.41Å; V196-L238 HydrophobicContact CG1-CD1 4.34Å; V196-L238 HydrophobicContact CG1-CD2 4.12Å; V196-Q239 WeakPolarHBondContact CG2-O 3.43Å; V196-Q239 PolarHBondContact N-O 3.49Å; V196-E240 WeakPolarHBondContact CG2-O 3.42Å; V196-V241 HydrophobicContact CG2-CG2 4.47Å; V196-F250 HydrophobicContact CG2-CZ 4.21Å
197	L	98.4	Very high	95.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.176	C	C	.	.			trans	54.9	99.1	-172	-179	63.7	0	0	0	112.8	N195 A202 Y207 R220 E240 P523	N195-L197 PolarHBondContact OD1-N 3.22Å; N195-L197 VanDerWaalsContact OD1-N 3.08Å; L197-A202 HydrophobicContact CD2-CB 4.06Å; L197-A202 HydrophobicContact CG-CB 4.19Å; L197-Y207 HydrophobicContact CD1-CE2 3.98Å; L197-Y207 VanDerWaalsContact CD1-OH 3.25Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.24Å; L197-Y207 HydrophobicContact CD2-CD2 4.47Å; L197-Y207 HydrophobicContact CD2-CE1 4.48Å; L197-Y207 HydrophobicContact CD2-CE2 3.81Å; L197-R220 PolarHBondContact O-NH1 3.33Å; L197-R220 PolarHBondContact O-NH2 2.8Å; L197-R220 VanDerWaalsContact O-NH2 3.12Å; L197-E240 WeakPolarHBondContact CA-OE2 3.33Å; L197-P523 HydrophobicContact CD2-CG 3.24Å
198	C	96.6	Very high	95.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	18%	0.178	C	C	.	.			trans	-63.9	154.5	179.6	65.5	0	0	0	0	112.1	K200 Y201 A202 E240 E242 D281	C198-K200 PolarHBondContact O-N 3.37Å; C198-Y201 PolarHBondContact O-N 3.29Å; C198-Y201 VanDerWaalsContact O-N 3.12Å; C198-Y201 WeakPolarHBondContact SG-CD2 3.46Å; C198-Y201 VanDerWaalsContact SG-CE2 3.51Å; C198-A202 PolarHBondContact O-N 2.93Å; C198-E240 HydrophobicContact CB-CB 4.07Å; C198-E240 WeakPolarHBondContact CB-O 3.45Å; C198-E240 PolarHBondContact N-OE2 3.45Å; C198-E240 PolarHBondContact SG-OE2 2.92Å; C198-E242 HydrophobicContact CB-CG 3.67Å; C198-D281 HydrophobicContact CB-CB 4.08Å
199	D	96.1	Very high	95.8	Very high	68 Å²	68	34.4 Å²	34.4	36%	0.364	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.9	-176.9	-169.4	54.1	0	0	0	111.6	Y201 A202 W217 R220 E242	D199-Y201 PolarHBondContact O-N 3.3Å; D199-Y201 VanDerWaalsContact O-N 3.15Å; D199-A202 PolarHBondContact O-N 3.1Å; D199-W217 HydrophobicContact CB-CB 4.02Å; D199-W217 HydrophobicContact CB-CG 4.39Å; D199-W217 WeakPolarHBondContact OD1-CB 3.5Å; D199-W217 PolarHBondContact OD1-N 3.47Å; D199-R220 IonicContact OD1-NH2 3.75Å; D199-E242 WeakPolarHBondContact CB-OE1 3.24Å; D199-E242 PolarHBondContact N-OE1 3.26Å
200	K	94.6	Very high	95.7	Very high	106 Å²	106	34.2 Å²	34.2	46%	0.461	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.6	175.3	-173.9	175.3	-177.9	175.6	0	113.9	C198 E242	C198-K200 PolarHBondContact O-N 3.37Å; K200-E242 PolarHBondContact N-OE1 3.38Å; K200-E242 VanDerWaalsContact N-OE1 3.14Å
201	Y	95.4	Very high	95.5	Very high	71 Å²	71	34.4 Å²	34.4	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-18.3	-178.1	-58.8	-36.2	0	0	0	113.2	C198 D199 T203 Y207 E240	C198-Y201 PolarHBondContact O-N 3.29Å; C198-Y201 VanDerWaalsContact O-N 3.12Å; C198-Y201 WeakPolarHBondContact SG-CD2 3.46Å; C198-Y201 VanDerWaalsContact SG-CE2 3.51Å; D199-Y201 PolarHBondContact O-N 3.3Å; D199-Y201 VanDerWaalsContact O-N 3.15Å; Y201-T203 PolarHBondContact O-N 3.27Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.39Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.31Å
202	A	97	Very high	95.3	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	18%	0.181	C	C	.	.			trans	-71.2	57.6	178.6	0	0	0	0	0	113.9	L197 C198 D199 L215 R220	L197-A202 HydrophobicContact CD2-CB 4.06Å; L197-A202 HydrophobicContact CG-CB 4.19Å; C198-A202 PolarHBondContact O-N 2.93Å; D199-A202 PolarHBondContact O-N 3.1Å; A202-L215 HydrophobicContact CB-CD2 4.48Å; A202-R220 VanDerWaalsContact CB-NH2 3.34Å
203	T	94.9	Very high	95	Very high	50 Å²	50	40.8 Å²	40.8	31%	0.307	20%	0.197	S	C	.	.			trans	-100.6	155.2	-175.1	72.6	0	0	0	0	112.5	Y201 Q205 L206 Y207	Y201-T203 PolarHBondContact O-N 3.27Å; T203-Q205 PolarHBondContact O-N 2.98Å; T203-L206 PolarHBondContact O-N 3.28Å; T203-L206 PolarHBondContact OG1-N 3.08Å; T203-Y207 WeakPolarHBondContact O-CD2 3.46Å; T203-Y207 PolarHBondContact O-N 3.38Å
204	R	90.3	Very high	94.8	Very high	64 Å²	64	40.8 Å²	40.8	24%	0.242	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.8	172.8	-72	-67.6	-63.4	-136.6	-11.1	114.3	S151 D155 G208 C210 L215	S151-R204 PolarHBondContact OG-NH2 3.08Å; D155-R204 IonicContact OD1-NH1 3.25Å; D155-R204 PolarHBondContact OD1-NH1 2.95Å; R204-G208 WeakPolarHBondContact O-CA 3.44Å; R204-G208 PolarHBondContact O-N 3.02Å; R204-C210 WeakPolarHBondContact CD-O 3.44Å; R204-C210 PolarHBondContact NH1-O 2.85Å; R204-L215 HydrophobicContact CG-CD1 4.11Å
205	Q	90.3	Very high	94.6	Very high	188 Å²	188	40.9 Å²	40.9	88%	0.879	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-40.6	175.9	-67.1	178.4	-0.8	0	0	110.9	T203	T203-Q205 PolarHBondContact O-N 2.98Å
206	L	92.2	Very high	94.5	Very high	101 Å²	101	44.8 Å²	44.8	53%	0.529	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-39.2	177.5	-65.5	176.2	0	0	0	112	T203	T203-L206 PolarHBondContact O-N 3.28Å; T203-L206 PolarHBondContact OG1-N 3.08Å
207	Y	95.5	Very high	94.5	Very high	15 Å²	15	45.5 Å²	45.5	6%	0.059	22%	0.221	C	C	.	.			trans	-116.4	48.8	-173.4	-52.2	-74.6	0	0	0	111.6	L197 Y201 T203 Y209 C210 L215 T483 C522 P523 D530	L197-Y207 HydrophobicContact CD1-CE2 3.98Å; L197-Y207 VanDerWaalsContact CD1-OH 3.25Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.24Å; L197-Y207 HydrophobicContact CD2-CD2 4.47Å; L197-Y207 HydrophobicContact CD2-CE1 4.48Å; L197-Y207 HydrophobicContact CD2-CE2 3.81Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.39Å; T203-Y207 WeakPolarHBondContact O-CD2 3.46Å; T203-Y207 PolarHBondContact O-N 3.38Å; Y207-Y209 HydrophobicContact CD1-CE2 4.41Å; Y207-Y209 AromaticContact CD1-CZ 3.95Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.4Å; Y207-Y209 PolarHBondContact O-N 3.04Å; Y207-Y209 VanDerWaalsContact O-N 3.09Å; Y207-C210 PolarHBondContact O-N 2.98Å; Y207-L215 HydrophobicContact CD2-CD2 4.29Å; Y207-L215 HydrophobicContact CG-CD2 4.23Å; Y207-T483 HydrophobicContact CE1-CG2 4.01Å; Y207-C522 WeakPolarHBondContact CD1-O 3.4Å; Y207-P523 HydrophobicContact CD1-CG 4.45Å; Y207-P523 VanDerWaalsContact CE1-CD 3.48Å; Y207-D530 HydrophobicContact CE1-CB 3.79Å; Y207-D530 VanDerWaalsContact OH-CG 3.25Å; Y207-D530 PolarHBondContact OH-OD2 2.78Å
208	G	91.9	Very high	94.4	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.5	-175.4	0	0	0	0	0	114.7	F120 L154 R204 C210	F120-G208 WeakPolarHBondContact CB-O 3.43Å; L154-G208 WeakPolarHBondContact CD2-O 2.85Å; R204-G208 WeakPolarHBondContact O-CA 3.44Å; R204-G208 PolarHBondContact O-N 3.02Å; G208-C210 VanDerWaalsContact C-N 3.32Å
209	Y	91.4	Very high	94.4	Very high	24 Å²	24	54.2 Å²	54.2	9%	0.094	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.5	173.9	46.4	-93	0	0	0	114.1	F120 Y207 T483 F484 G521 C522	F120-Y209 HydrophobicContact CD1-CD1 4.29Å; F120-Y209 HydrophobicContact CD1-CG 4.46Å; F120-Y209 HydrophobicContact CD2-CD1 4.41Å; F120-Y209 AromaticContact CE1-CD1 3.96Å; F120-Y209 HydrophobicContact CE1-CD1 3.96Å; F120-Y209 HydrophobicContact CE1-CG 4.33Å; F120-Y209 HydrophobicContact CE2-CD1 4.05Å; F120-Y209 AromaticContact CZ-CD1 3.84Å; F120-Y209 HydrophobicContact CZ-CD1 3.84Å; Y207-Y209 HydrophobicContact CD1-CE2 4.41Å; Y207-Y209 AromaticContact CD1-CZ 3.95Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.4Å; Y207-Y209 PolarHBondContact O-N 3.04Å; Y207-Y209 VanDerWaalsContact O-N 3.09Å; Y209-T483 WeakPolarHBondContact OH-CA 3.32Å; Y209-T483 WeakPolarHBondContact OH-CB 3.49Å; Y209-F484 HydrophobicContact CD1-CB 3.85Å; Y209-F484 HydrophobicContact CE1-CB 3.48Å; Y209-F484 VanDerWaalsContact CE1-CB 3.48Å; Y209-F484 PolarHBondContact OH-N 3.38Å; Y209-G521 WeakPolarHBondContact CE2-O 3.43Å; Y209-C522 PolarHBondContact OH-O 3.31Å
210	C	94.2	Very high	94.4	Very high	1 Å²	1	51 Å²	51	1%	0.007	24%	0.241	C	C	.	.	S	Bend	trans	-99.4	127.5	-178.2	-170.5	0	0	0	0	111	R204 Y207 G208 L215 P523	R204-C210 WeakPolarHBondContact CD-O 3.44Å; R204-C210 PolarHBondContact NH1-O 2.85Å; Y207-C210 PolarHBondContact O-N 2.98Å; G208-C210 VanDerWaalsContact C-N 3.32Å; C210-L215 HydrophobicContact CB-CD1 4.23Å; C210-L215 HydrophobicContact CB-CD2 3.82Å; C210-L215 HydrophobicContact CB-CG 3.86Å; C210-P523 WeakPolarHBondContact CB-O 3.24Å; C210-P523 PolarHBondContact SG-O 3.4Å
211	P	93.8	Very high	94.5	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.058	23%	0.226	C	C	.	.			trans	-52.5	144.1	175.5	-25.3	33	0	0	0	113.4	L154 D155 W213 A214 L215 P525	L154-P211 HydrophobicContact CD1-CG 4.09Å; L154-P211 HydrophobicContact CG-CB 4.45Å; L154-P211 HydrophobicContact CG-CG 4.02Å; D155-P211 WeakPolarHBondContact OD1-CA 3.32Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 HydrophobicContact CB-CD2 4.23Å; P211-W213 HydrophobicContact CB-CG 4.27Å; P211-W213 HydrophobicContact CB-CZ2 4.15Å; P211-W213 VanDerWaalsContact CB-NE1 3.3Å; P211-W213 HydrophobicContact CG-CZ2 4.21Å; P211-W213 PolarHBondContact O-N 3.22Å; P211-A214 HydrophobicContact CB-CB 4.22Å; P211-A214 WeakPolarHBondContact O-CA 3.45Å; P211-A214 WeakPolarHBondContact O-CB 3.49Å; P211-A214 PolarHBondContact O-N 3.19Å; P211-L215 PolarHBondContact O-N 3.34Å; P211-P525 HydrophobicContact CG-CG 4.23Å
212	S	94.1	Very high	94.5	Very high	46 Å²	46	50.6 Å²	50.6	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-38.2	-176	-47.1	0	0	0	0	112.3	D155 A214 L215 N216	D155-S212 PolarHBondContact OD1-N 2.67Å; D155-S212 PolarHBondContact OD1-OG 3.11Å; D155-S212 VanDerWaalsContact OD2-CB 3.26Å; D155-S212 WeakPolarHBondContact OD2-CB 3.45Å; D155-S212 PolarHBondContact OD2-OG 2.67Å; S212-A214 VanDerWaalsContact C-N 3.28Å; S212-A214 PolarHBondContact O-N 2.96Å; S212-L215 PolarHBondContact O-N 2.82Å; S212-N216 PolarHBondContact O-N 3.31Å; S212-N216 VanDerWaalsContact O-N 3.11Å
213	W	94.1	Very high	94.4	Very high	88 Å²	88	51.5 Å²	51.5	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-67.5	-29.1	176.3	60.6	-100.2	0	0	0	112.8	D155 A158 P211 Y219 P525	D155-W213 PolarHBondContact O-NE1 3.4Å; A158-W213 HydrophobicContact CB-CZ2 3.9Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 HydrophobicContact CB-CD2 4.23Å; P211-W213 HydrophobicContact CB-CG 4.27Å; P211-W213 HydrophobicContact CB-CZ2 4.15Å; P211-W213 VanDerWaalsContact CB-NE1 3.3Å; P211-W213 HydrophobicContact CG-CZ2 4.21Å; P211-W213 PolarHBondContact O-N 3.22Å; W213-Y219 HydrophobicContact CE3-CD2 4.14Å; W213-Y219 HydrophobicContact CE3-CE1 4.37Å; W213-Y219 AromaticContact CE3-CE2 3.96Å; W213-Y219 HydrophobicContact CE3-CE2 3.96Å; W213-Y219 HydrophobicContact CE3-CG 4.44Å; W213-Y219 HydrophobicContact CZ3-CD2 4.34Å; W213-Y219 AromaticContact CZ3-CE1 3.99Å; W213-Y219 HydrophobicContact CZ3-CE1 3.99Å; W213-Y219 AromaticContact CZ3-CE2 3.69Å; W213-Y219 HydrophobicContact CZ3-CE2 3.69Å; W213-Y219 AromaticContact CZ3-CZ 3.52Å; W213-Y219 VanDerWaalsContact O-CB 3.22Å; W213-Y219 WeakPolarHBondContact O-CB 3.48Å; W213-P525 HydrophobicContact CH2-CB 3.62Å; W213-P525 HydrophobicContact CH2-CG 3.72Å; W213-P525 HydrophobicContact CZ2-CB 4.43Å; W213-P525 HydrophobicContact CZ2-CG 4.05Å; W213-P525 HydrophobicContact CZ3-CB 4.17Å; W213-P525 HydrophobicContact CZ3-CG 4.45Å
214	A	93.4	Very high	94.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-81.4	-26	177.7	0	0	0	0	0	112.1	P211 S212 Y219 R220 P525	P211-A214 HydrophobicContact CB-CB 4.22Å; P211-A214 WeakPolarHBondContact O-CA 3.45Å; P211-A214 WeakPolarHBondContact O-CB 3.49Å; P211-A214 PolarHBondContact O-N 3.19Å; S212-A214 VanDerWaalsContact C-N 3.28Å; S212-A214 PolarHBondContact O-N 2.96Å; A214-Y219 HydrophobicContact CB-CD1 4.49Å; A214-Y219 HydrophobicContact CB-CE1 4.38Å; A214-R220 WeakPolarHBondContact O-CD 3.43Å; A214-R220 WeakPolarHBondContact O-CG 3.22Å; A214-P525 HydrophobicContact CB-CB 4.42Å; A214-P525 HydrophobicContact CB-CG 3.97Å
215	L	95.9	Very high	94.9	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-77.5	-25.6	171.6	-71.8	176	0	0	0	113.2	A202 R204 Y207 C210 P211 S212 W217 R220 P523	A202-L215 HydrophobicContact CB-CD2 4.48Å; R204-L215 HydrophobicContact CG-CD1 4.11Å; Y207-L215 HydrophobicContact CD2-CD2 4.29Å; Y207-L215 HydrophobicContact CG-CD2 4.23Å; C210-L215 HydrophobicContact CB-CD1 4.23Å; C210-L215 HydrophobicContact CB-CD2 3.82Å; C210-L215 HydrophobicContact CB-CG 3.86Å; P211-L215 PolarHBondContact O-N 3.34Å; S212-L215 PolarHBondContact O-N 2.82Å; L215-W217 PolarHBondContact O-N 3.09Å; L215-R220 WeakPolarHBondContact O-CD 3.22Å; L215-R220 PolarHBondContact O-NE 3.22Å; L215-P523 HydrophobicContact CD2-CB 4.27Å; L215-P523 HydrophobicContact CD2-CG 4.08Å
216	N	97	Very high	95.2	Very high	82 Å²	82	44 Å²	44	44%	0.439	21%	0.211	S	C	.	.	S	Bend	trans	-56.7	130.9	-177.7	-175.4	-84.2	0	0	0	112	S212 E218 Y219 R220	S212-N216 PolarHBondContact O-N 3.31Å; S212-N216 VanDerWaalsContact O-N 3.11Å; N216-E218 VanDerWaalsContact C-N 3.31Å; N216-E218 PolarHBondContact O-N 3.01Å; N216-E218 VanDerWaalsContact OD1-CB 3.28Å; N216-E218 WeakPolarHBondContact OD1-CB 3.47Å; N216-E218 PolarHBondContact OD1-N 3.12Å; N216-Y219 WeakPolarHBondContact O-CB 3.37Å; N216-Y219 PolarHBondContact O-N 3.46Å; N216-R220 PolarHBondContact O-N 3.49Å
217	W	97.5	Very high	95.4	Very high	17 Å²	17	42 Å²	42	6%	0.064	20%	0.199	C	C	.	.	H	α-helix	trans	-52.7	-42.6	-180	179	-116.5	0	0	0	114.5	D199 L215 Y219 R220 K221 I224 Q245 F249 F250	D199-W217 HydrophobicContact CB-CB 4.02Å; D199-W217 HydrophobicContact CB-CG 4.39Å; D199-W217 WeakPolarHBondContact OD1-CB 3.5Å; D199-W217 PolarHBondContact OD1-N 3.47Å; L215-W217 PolarHBondContact O-N 3.09Å; W217-Y219 PolarHBondContact O-N 3.44Å; W217-R220 PolarHBondContact O-N 3.21Å; W217-K221 HydrophobicContact CD2-CB 3.99Å; W217-K221 HydrophobicContact CE3-CB 4.29Å; W217-K221 HydrophobicContact CH2-CB 3.96Å; W217-K221 HydrophobicContact CZ2-CB 3.62Å; W217-K221 HydrophobicContact CZ2-CD 4.46Å; W217-K221 HydrophobicContact CZ3-CB 4.28Å; W217-K221 VanDerWaalsContact O-CB 3.28Å; W217-K221 WeakPolarHBondContact O-CB 3.43Å; W217-K221 WeakPolarHBondContact O-CG 3.2Å; W217-K221 PolarHBondContact O-N 3.05Å; W217-I224 HydrophobicContact CH2-CD1 4.23Å; W217-I224 HydrophobicContact CZ3-CD1 3.72Å; W217-Q245 HydrophobicContact CZ2-CB 3.95Å; W217-Q245 HydrophobicContact CZ2-CG 3.69Å; W217-F249 HydrophobicContact CZ2-CD1 4.13Å; W217-F249 HydrophobicContact CZ2-CE1 4.39Å; W217-F250 AromaticContact CH2-CE2 3.97Å; W217-F250 HydrophobicContact CH2-CE2 3.97Å; W217-F250 AromaticContact CH2-CZ 3.89Å; W217-F250 HydrophobicContact CH2-CZ 3.89Å; W217-F250 HydrophobicContact CZ2-CE2 4.2Å; W217-F250 HydrophobicContact CZ2-CZ 4.44Å
218	E	96.9	Very high	95.5	Very high	101 Å²	101	41.3 Å²	41.3	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-26.8	-178.5	-64.5	-61.3	119.6	0	0	112.8	N216 K221	N216-E218 VanDerWaalsContact C-N 3.31Å; N216-E218 PolarHBondContact O-N 3.01Å; N216-E218 VanDerWaalsContact OD1-CB 3.28Å; N216-E218 WeakPolarHBondContact OD1-CB 3.47Å; N216-E218 PolarHBondContact OD1-N 3.12Å; E218-K221 IonicContact OE1-NZ 3.67Å; E218-K221 PolarHBondContact OE1-NZ 3.37Å; E218-K221 WeakPolarHBondContact OE2-CE 3.42Å; E218-K221 IonicContact OE2-NZ 3.1Å; E218-K221 PolarHBondContact OE2-NZ 3.35Å
219	Y	95.1	Very high	95.8	Very high	84 Å²	84	44 Å²	44	33%	0.329	21%	0.208	S	C	.	.	H	α-helix	trans	-78.9	-54.3	171.4	-177.4	-91.2	0	0	0	111	W213 A214 N216 W217 K221 P525	W213-Y219 HydrophobicContact CE3-CD2 4.14Å; W213-Y219 HydrophobicContact CE3-CE1 4.37Å; W213-Y219 AromaticContact CE3-CE2 3.96Å; W213-Y219 HydrophobicContact CE3-CE2 3.96Å; W213-Y219 HydrophobicContact CE3-CG 4.44Å; W213-Y219 HydrophobicContact CZ3-CD2 4.34Å; W213-Y219 AromaticContact CZ3-CE1 3.99Å; W213-Y219 HydrophobicContact CZ3-CE1 3.99Å; W213-Y219 AromaticContact CZ3-CE2 3.69Å; W213-Y219 HydrophobicContact CZ3-CE2 3.69Å; W213-Y219 AromaticContact CZ3-CZ 3.52Å; W213-Y219 VanDerWaalsContact O-CB 3.22Å; W213-Y219 WeakPolarHBondContact O-CB 3.48Å; A214-Y219 HydrophobicContact CB-CD1 4.49Å; A214-Y219 HydrophobicContact CB-CE1 4.38Å; N216-Y219 WeakPolarHBondContact O-CB 3.37Å; N216-Y219 PolarHBondContact O-N 3.46Å; W217-Y219 PolarHBondContact O-N 3.44Å; Y219-K221 PolarHBondContact O-N 2.98Å; Y219-P525 WeakPolarHBondContact CE1-O 3.33Å; Y219-P525 PolarHBondContact OH-O 3.17Å
220	R	97.2	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-41.4	-173.4	-66.1	-169.9	-57.3	108.6	-3.1	113.5	V196 L197 D199 A202 A214 L215 N216 W217 K222 S223 I224 P528	V196-R220 PolarHBondContact O-NH1 3.08Å; L197-R220 PolarHBondContact O-NH1 3.33Å; L197-R220 PolarHBondContact O-NH2 2.8Å; L197-R220 VanDerWaalsContact O-NH2 3.12Å; D199-R220 IonicContact OD1-NH2 3.75Å; A202-R220 VanDerWaalsContact CB-NH2 3.34Å; A214-R220 WeakPolarHBondContact O-CD 3.43Å; A214-R220 WeakPolarHBondContact O-CG 3.22Å; L215-R220 WeakPolarHBondContact O-CD 3.22Å; L215-R220 PolarHBondContact O-NE 3.22Å; N216-R220 PolarHBondContact O-N 3.49Å; W217-R220 PolarHBondContact O-N 3.21Å; R220-K222 PolarHBondContact O-N 3.48Å; R220-K222 VanDerWaalsContact O-N 3.12Å; R220-S223 PolarHBondContact O-N 3.24Å; R220-I224 HydrophobicContact CB-CD1 4.16Å; R220-I224 WeakPolarHBondContact O-CG1 3.42Å; R220-I224 PolarHBondContact O-N 2.92Å; R220-P528 HydrophobicContact CB-CB 4.13Å; R220-P528 WeakPolarHBondContact CD-O 3.34Å; R220-P528 HydrophobicContact CG-CB 4.42Å; R220-P528 PolarHBondContact NH1-O 3.11Å
221	K	97.3	Very high	95.9	Very high	34 Å²	34	46.9 Å²	46.9	15%	0.148	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-34.4	-173.6	75.9	-175.3	-175.4	-175.9	0	112.7	W217 E218 Y219 I224 M225 F249	W217-K221 HydrophobicContact CD2-CB 3.99Å; W217-K221 HydrophobicContact CE3-CB 4.29Å; W217-K221 HydrophobicContact CH2-CB 3.96Å; W217-K221 HydrophobicContact CZ2-CB 3.62Å; W217-K221 HydrophobicContact CZ2-CD 4.46Å; W217-K221 HydrophobicContact CZ3-CB 4.28Å; W217-K221 VanDerWaalsContact O-CB 3.28Å; W217-K221 WeakPolarHBondContact O-CB 3.43Å; W217-K221 WeakPolarHBondContact O-CG 3.2Å; W217-K221 PolarHBondContact O-N 3.05Å; E218-K221 IonicContact OE1-NZ 3.67Å; E218-K221 PolarHBondContact OE1-NZ 3.37Å; E218-K221 WeakPolarHBondContact OE2-CE 3.42Å; E218-K221 IonicContact OE2-NZ 3.1Å; E218-K221 PolarHBondContact OE2-NZ 3.35Å; Y219-K221 PolarHBondContact O-N 2.98Å; K221-I224 PolarHBondContact O-N 2.83Å; K221-M225 PolarHBondContact O-N 2.84Å; K221-F249 HydrophobicContact CB-CD1 4.42Å; K221-F249 HydrophobicContact CB-CE1 3.75Å; K221-F249 HydrophobicContact CB-CE2 4.4Å; K221-F249 HydrophobicContact CB-CZ 3.74Å; K221-F249 HydrophobicContact CD-CD2 4.37Å; K221-F249 HydrophobicContact CD-CE2 4.2Å; K221-F249 HydrophobicContact CD-CZ 4.35Å; K221-F249 HydrophobicContact CG-CE1 4.37Å; K221-F249 HydrophobicContact CG-CE2 4.14Å; K221-F249 HydrophobicContact CG-CZ 3.94Å; K221-F249 VanDerWaalsContact O-CZ 3.29Å; K221-F249 WeakPolarHBondContact O-CZ 3.22Å
222	K	94.3	Very high	96	Very high	134 Å²	134	50.8 Å²	50.8	58%	0.583	26%	0.263	S	S	*	.	H	α-helix	trans	-62.9	-49.5	177	-63.4	178.5	-176.4	175.2	0	111.5	R220 M225 Q226	R220-K222 PolarHBondContact O-N 3.48Å; R220-K222 VanDerWaalsContact O-N 3.12Å; K222-M225 PolarHBondContact O-N 2.78Å; K222-Q226 WeakPolarHBondContact O-CG 2.98Å; K222-Q226 PolarHBondContact O-N 3.12Å
223	S	95.1	Very high	96.2	Very high	29 Å²	29	48.6 Å²	48.6	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-34.4	178.2	-55.9	0	0	0	0	112.3	R220 Q226 E227	R220-S223 PolarHBondContact O-N 3.24Å; S223-Q226 PolarHBondContact O-N 3.39Å; S223-E227 PolarHBondContact O-N 2.83Å
224	I	98.4	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-48	173.1	-70.2	163	0	0	0	110	Y194 V196 W217 R220 K221 E227 I228 F250 P528	Y194-I224 HydrophobicContact CE1-CG2 4.26Å; V196-I224 HydrophobicContact CB-CD1 4.25Å; V196-I224 HydrophobicContact CB-CG2 4.09Å; V196-I224 HydrophobicContact CG1-CG2 3.79Å; V196-I224 WeakPolarHBondContact O-CD1 3.41Å; W217-I224 HydrophobicContact CH2-CD1 4.23Å; W217-I224 HydrophobicContact CZ3-CD1 3.72Å; R220-I224 HydrophobicContact CB-CD1 4.16Å; R220-I224 WeakPolarHBondContact O-CG1 3.42Å; R220-I224 PolarHBondContact O-N 2.92Å; K221-I224 PolarHBondContact O-N 2.83Å; I224-E227 PolarHBondContact O-N 2.94Å; I224-I228 HydrophobicContact CG2-CD1 3.86Å; I224-I228 VanDerWaalsContact O-CG1 3.31Å; I224-I228 WeakPolarHBondContact O-CG1 3.31Å; I224-I228 PolarHBondContact O-N 2.89Å; I224-I228 VanDerWaalsContact O-N 3.08Å; I224-F250 HydrophobicContact CG2-CE1 3.94Å; I224-F250 HydrophobicContact CG2-CZ 4.21Å; I224-P528 HydrophobicContact CD1-CB 4.46Å; I224-P528 HydrophobicContact CG1-CB 3.81Å; I224-P528 HydrophobicContact CG1-CG 3.78Å
225	M	98.1	Very high	96.7	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-39	177.4	-171.8	61.8	63.9	0	0	111.9	K221 K222 E227 I228 L229 F249 F250 E253 L254	K221-M225 PolarHBondContact O-N 2.84Å; K222-M225 PolarHBondContact O-N 2.78Å; M225-E227 VanDerWaalsContact C-N 3.32Å; M225-E227 PolarHBondContact O-N 2.88Å; M225-I228 PolarHBondContact O-N 2.83Å; M225-I228 HydrophobicContact SD-CB 4.47Å; M225-L229 HydrophobicContact CG-CD1 3.75Å; M225-L229 HydrophobicContact CG-CG 3.94Å; M225-L229 WeakPolarHBondContact O-CB 3.06Å; M225-L229 WeakPolarHBondContact O-CG 3.32Å; M225-L229 PolarHBondContact O-N 2.93Å; M225-L229 HydrophobicContact SD-CD1 4.12Å; M225-L229 HydrophobicContact SD-CD2 4.17Å; M225-L229 HydrophobicContact SD-CG 3.84Å; M225-F249 HydrophobicContact CB-CZ 3.93Å; M225-F249 HydrophobicContact CE-CE1 3.96Å; M225-F249 HydrophobicContact CE-CZ 3.98Å; M225-F250 HydrophobicContact CE-CD1 3.92Å; M225-E253 HydrophobicContact CE-CB 3.83Å; M225-E253 WeakPolarHBondContact CE-OE2 3.43Å; M225-E253 VanDerWaalsContact CG-OE2 3.25Å; M225-E253 WeakPolarHBondContact CG-OE2 3.45Å; M225-E253 HydrophobicContact SD-CB 4.4Å; M225-L254 HydrophobicContact CE-CG 4.43Å; M225-L254 HydrophobicContact SD-CD2 4.07Å; M225-L254 HydrophobicContact SD-CG 4.37Å
226	Q	96.1	Very high	96.8	Very high	138 Å²	138	44.5 Å²	44.5	65%	0.645	23%	0.232	S	C	*	.	H	α-helix	trans	-58.8	-41.2	174.8	-75.5	175.6	-13.7	0	0	112.5	K222 S223 G230	K222-Q226 WeakPolarHBondContact O-CG 2.98Å; K222-Q226 PolarHBondContact O-N 3.12Å; S223-Q226 PolarHBondContact O-N 3.39Å; Q226-G230 WeakPolarHBondContact O-CA 3.22Å; Q226-G230 PolarHBondContact O-N 2.9Å
227	E	96.4	Very high	96.9	Very high	59 Å²	59	40.6 Å²	40.6	28%	0.276	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-47.6	174.2	178	71.3	-177.2	0	0	111.3	R172 M192 Y194 S223 I224 M225 G230 C231 S533	R172-E227 IonicContact NH1-OE1 3.89Å; M192-E227 HydrophobicContact CE-CG 4.25Å; Y194-E227 HydrophobicContact CE1-CG 4.19Å; S223-E227 PolarHBondContact O-N 2.83Å; I224-E227 PolarHBondContact O-N 2.94Å; M225-E227 VanDerWaalsContact C-N 3.32Å; M225-E227 PolarHBondContact O-N 2.88Å; E227-G230 PolarHBondContact O-N 3.18Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 VanDerWaalsContact O-N 3.09Å; E227-C231 PolarHBondContact O-SG 2.92Å; E227-C231 VanDerWaalsContact O-SG 3.33Å; E227-S533 WeakPolarHBondContact OE1-CB 3.43Å; E227-S533 PolarHBondContact OE1-OG 3.5Å
228	I	98.1	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-49.7	179.9	-67.3	165.6	0	0	0	111	M192 Y194 I224 M225 C231 N232 I236 L238 F250 L254	M192-I228 HydrophobicContact CE-CB 4.34Å; M192-I228 HydrophobicContact CE-CG1 3.68Å; M192-I228 HydrophobicContact SD-CB 4.47Å; M192-I228 HydrophobicContact SD-CG1 4.27Å; M192-I228 HydrophobicContact SD-CG2 4.49Å; Y194-I228 HydrophobicContact CD1-CG1 4.42Å; I224-I228 HydrophobicContact CG2-CD1 3.86Å; I224-I228 VanDerWaalsContact O-CG1 3.31Å; I224-I228 WeakPolarHBondContact O-CG1 3.31Å; I224-I228 PolarHBondContact O-N 2.89Å; I224-I228 VanDerWaalsContact O-N 3.08Å; M225-I228 PolarHBondContact O-N 2.83Å; M225-I228 HydrophobicContact SD-CB 4.47Å; I228-C231 PolarHBondContact O-N 3.15Å; I228-N232 PolarHBondContact O-N 2.91Å; I228-I236 HydrophobicContact CG2-CD1 3.67Å; I228-I236 HydrophobicContact CG2-CG2 4.44Å; I228-L238 HydrophobicContact CD1-CD1 3.95Å; I228-L238 HydrophobicContact CD1-CD2 4.24Å; I228-F250 HydrophobicContact CD1-CD1 4.27Å; I228-F250 HydrophobicContact CD1-CE1 3.93Å; I228-L254 HydrophobicContact CG2-CD2 3.89Å
229	L	97	Very high	97.1	Very high	63 Å²	63	35 Å²	35	33%	0.33	19%	0.186	S	C	.	.	H	α-helix	trans	-72.2	-33.4	-178.8	-63.9	-175.6	0	0	0	112.4	M225 C231 N232 L254 Q257	M225-L229 HydrophobicContact CG-CD1 3.75Å; M225-L229 HydrophobicContact CG-CG 3.94Å; M225-L229 WeakPolarHBondContact O-CB 3.06Å; M225-L229 WeakPolarHBondContact O-CG 3.32Å; M225-L229 PolarHBondContact O-N 2.93Å; M225-L229 HydrophobicContact SD-CD1 4.12Å; M225-L229 HydrophobicContact SD-CD2 4.17Å; M225-L229 HydrophobicContact SD-CG 3.84Å; L229-C231 VanDerWaalsContact C-N 3.32Å; L229-C231 PolarHBondContact O-N 3.12Å; L229-N232 PolarHBondContact O-N 3.08Å; L229-L254 HydrophobicContact CD2-CD2 3.85Å; L229-Q257 HydrophobicContact CD2-CB 4.4Å; L229-Q257 HydrophobicContact CD2-CG 3.77Å
230	G	94.8	Very high	97.2	Very high	67 Å²	67	31.7 Å²	31.7	69%	0.691	17%	0.174	S	C	*	.	H	α-helix	trans	-63.6	-36.8	175.4	0	0	0	0	0	112.6	Q226 E227	Q226-G230 WeakPolarHBondContact O-CA 3.22Å; Q226-G230 PolarHBondContact O-N 2.9Å; E227-G230 PolarHBondContact O-N 3.18Å
231	C	93.4	Very high	97.3	Very high	19 Å²	19	31.7 Å²	31.7	13%	0.128	17%	0.174	C	C	.	.	H	α-helix	trans	-71	-33.8	172.6	-70.2	0	0	0	0	112.7	M192 E227 I228 L229 A233 Y535	M192-C231 HydrophobicContact SD-CB 4.16Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 VanDerWaalsContact O-N 3.09Å; E227-C231 PolarHBondContact O-SG 2.92Å; E227-C231 VanDerWaalsContact O-SG 3.33Å; I228-C231 PolarHBondContact O-N 3.15Å; L229-C231 VanDerWaalsContact C-N 3.32Å; L229-C231 PolarHBondContact O-N 3.12Å; C231-A233 PolarHBondContact O-N 3.45Å; C231-Y535 HydrophobicContact CB-CD2 3.7Å; C231-Y535 HydrophobicContact CB-CE2 3.93Å; C231-Y535 WeakPolarHBondContact O-CE2 3.31Å
232	N	96.5	Very high	97.3	Very high	91 Å²	91	30.6 Å²	30.6	49%	0.487	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	40.8	-178.8	-169.3	18.7	0	0	0	113.6	I228 L229 Y259 K288	I228-N232 PolarHBondContact O-N 2.91Å; L229-N232 PolarHBondContact O-N 3.08Å; N232-Y259 PolarHBondContact OD1-OH 3.19Å; N232-K288 PolarHBondContact O-NZ 2.98Å; N232-K288 VanDerWaalsContact O-NZ 3.12Å; N232-K288 VanDerWaalsContact OD1-CE 3.29Å; N232-K288 WeakPolarHBondContact OD1-CE 3.38Å; N232-K288 PolarHBondContact OD1-NZ 2.9Å
233	A	98.3	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.			trans	-66.3	142.5	-175.7	0	0	0	0	0	112.2	S190 M192 C231 I235 I236 Y259 Y535	S190-A233 WeakPolarHBondContact OG-CA 3.45Å; M192-A233 HydrophobicContact CB-CB 3.57Å; C231-A233 PolarHBondContact O-N 3.45Å; A233-I235 VanDerWaalsContact C-N 3.27Å; A233-I235 PolarHBondContact O-N 3.21Å; A233-I236 HydrophobicContact CB-CG1 4.01Å; A233-Y259 WeakPolarHBondContact O-CE1 3.49Å; A233-Y259 PolarHBondContact O-OH 3.09Å; A233-Y535 HydrophobicContact CB-CD2 3.91Å; A233-Y535 HydrophobicContact CB-CE2 3.59Å
234	D	98.6	Very high	97.6	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.048	15%	0.149	C	C	.	.	S	Bend	trans	-70.9	-27	178.9	-60.1	-42.2	0	0	0	113.3	F189 S190 F287 K288 K291 F292	F189-D234 VanDerWaalsContact CA-OD2 3.22Å; F189-D234 WeakPolarHBondContact CA-OD2 3.16Å; F189-D234 HydrophobicContact CB-CB 4.2Å; S190-D234 PolarHBondContact N-OD2 2.74Å; S190-D234 VanDerWaalsContact N-OD2 3.1Å; S190-D234 PolarHBondContact O-N 3.11Å; S190-D234 VanDerWaalsContact O-N 3.11Å; S190-D234 PolarHBondContact OG-N 3.37Å; D234-F287 WeakPolarHBondContact O-CA 3.43Å; D234-K288 PolarHBondContact O-N 2.99Å; D234-K288 WeakPolarHBondContact OD1-CD 3.39Å; D234-K288 IonicContact OD1-NZ 2.64Å; D234-K288 PolarHBondContact OD1-NZ 2.84Å; D234-K288 VanDerWaalsContact OD1-NZ 3.08Å; D234-K291 HydrophobicContact CB-CD 4.02Å; D234-K291 WeakPolarHBondContact OD1-CD 3.34Å; D234-K291 WeakPolarHBondContact OD1-CE 3.31Å; D234-K291 IonicContact OD1-NZ 3.73Å; D234-K291 PolarHBondContact OD1-NZ 2.87Å; D234-K291 IonicContact OD2-NZ 3.4Å; D234-K291 PolarHBondContact OD2-NZ 3.25Å; D234-F292 HydrophobicContact CB-CE2 4.02Å
235	I	98.9	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130	175.3	-56.7	177.1	0	0	0	108.1	F189 S190 V191 M192 A233 I285 F286 F287 F292 L332 L355 V357	F189-I235 HydrophobicContact CD2-CD1 3.74Å; F189-I235 HydrophobicContact CD2-CG1 4.38Å; F189-I235 HydrophobicContact CE2-CD1 3.79Å; S190-I235 PolarHBondContact O-N 2.95Å; V191-I235 CarbonylContact C-O 3.51Å; V191-I235 WeakPolarHBondContact CA-O 3.41Å; V191-I235 HydrophobicContact CG2-CB 4.38Å; M192-I235 PolarHBondContact N-O 3.02Å; A233-I235 VanDerWaalsContact C-N 3.27Å; A233-I235 PolarHBondContact O-N 3.21Å; I235-I285 HydrophobicContact CG2-CG2 4.36Å; I235-F286 CarbonylContact C-O 3.48Å; I235-F286 WeakPolarHBondContact CA-O 3.4Å; I235-F287 HydrophobicContact CG1-CB 4.49Å; I235-F292 HydrophobicContact CD1-CD2 4.49Å; I235-F292 HydrophobicContact CD1-CE1 4.33Å; I235-F292 HydrophobicContact CD1-CE2 3.89Å; I235-F292 HydrophobicContact CD1-CZ 3.81Å; I235-F292 HydrophobicContact CG1-CD2 4.19Å; I235-F292 HydrophobicContact CG1-CE2 3.69Å; I235-F292 HydrophobicContact CG1-CZ 4.13Å; I235-L332 HydrophobicContact CD1-CD1 4.02Å; I235-L355 HydrophobicContact CD1-CD2 3.85Å; I235-V357 HydrophobicContact CD1-CG2 3.83Å; I235-V357 HydrophobicContact CG2-CG1 3.83Å; I235-V357 HydrophobicContact CG2-CG2 4.11Å
236	I	98.9	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.4	-178.9	-55.6	157.2	0	0	0	108.8	M192 I228 A233 L238 L254 Y259 I285 F286	M192-I236 HydrophobicContact CB-CG1 4.39Å; M192-I236 HydrophobicContact CB-CG2 4.38Å; M192-I236 HydrophobicContact CG-CG2 4.37Å; M192-I236 HydrophobicContact SD-CG2 4.13Å; I228-I236 HydrophobicContact CG2-CD1 3.67Å; I228-I236 HydrophobicContact CG2-CG2 4.44Å; A233-I236 HydrophobicContact CB-CG1 4.01Å; I236-L238 HydrophobicContact CG2-CD2 3.55Å; I236-L238 HydrophobicContact CG2-CG 3.84Å; I236-L254 HydrophobicContact CD1-CD2 4.25Å; I236-Y259 HydrophobicContact CD1-CD1 4.03Å; I236-Y259 HydrophobicContact CD1-CE1 3.47Å; I236-Y259 VanDerWaalsContact CD1-CE1 3.47Å; I236-Y259 HydrophobicContact CG1-CE1 4.18Å; I236-I285 CarbonylContact O-C 3.58Å; I236-I285 VanDerWaalsContact O-CA 3.32Å; I236-I285 WeakPolarHBondContact O-CA 3.33Å; I236-F286 HydrophobicContact CB-CB 4.23Å; I236-F286 HydrophobicContact CB-CD2 4.46Å; I236-F286 HydrophobicContact CD1-CB 4.49Å; I236-F286 PolarHBondContact N-O 2.86Å; I236-F286 PolarHBondContact O-N 2.86Å
237	S	98.9	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.7	173.8	-69	0	0	0	0	109.5	M192 C193 Y194 A284 C410	M192-S237 PolarHBondContact O-N 3.32Å; C193-S237 WeakPolarHBondContact CA-O 3.45Å; Y194-S237 PolarHBondContact N-O 3.04Å; S237-A284 WeakPolarHBondContact CA-O 3.02Å; S237-C410 WeakPolarHBondContact OG-CB 3.46Å; S237-C410 PolarHBondContact OG-SG 3.44Å; S237-C410 VanDerWaalsContact OG-SG 3.4Å
238	L	98.9	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.8	179.5	-56.4	-175.5	0	0	0	111.6	Y194 V196 I228 I236 V241 F250 C283 A284 F286 N359	Y194-L238 HydrophobicContact CD1-CD2 4.39Å; Y194-L238 VanDerWaalsContact O-CA 3.29Å; Y194-L238 WeakPolarHBondContact O-CA 3.48Å; V196-L238 HydrophobicContact CG1-CD1 4.34Å; V196-L238 HydrophobicContact CG1-CD2 4.12Å; I228-L238 HydrophobicContact CD1-CD1 3.95Å; I228-L238 HydrophobicContact CD1-CD2 4.24Å; I236-L238 HydrophobicContact CG2-CD2 3.55Å; I236-L238 HydrophobicContact CG2-CG 3.84Å; L238-V241 HydrophobicContact CB-CG2 3.43Å; L238-V241 VanDerWaalsContact CB-CG2 3.43Å; L238-V241 HydrophobicContact CD1-CG2 4.09Å; L238-V241 HydrophobicContact CG-CG2 4.41Å; L238-F250 HydrophobicContact CD1-CD1 3.95Å; L238-F250 HydrophobicContact CD1-CE1 3.95Å; L238-C283 WeakPolarHBondContact O-CA 3.32Å; L238-A284 HydrophobicContact CB-CB 4.46Å; L238-A284 PolarHBondContact N-O 3.43Å; L238-A284 PolarHBondContact O-N 2.62Å; L238-F286 HydrophobicContact CD1-CD2 4.45Å; L238-F286 HydrophobicContact CD1-CE2 3.88Å; L238-F286 HydrophobicContact CG-CE2 4.35Å; L238-N359 PolarHBondContact N-ND2 3.37Å; L238-N359 PolarHBondContact O-ND2 3.45Å
239	Q	98.8	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	160	168.4	-54.6	79.2	26.2	0	0	109.6	C193 Y194 N195 V196 V241 N359 H361 D412	C193-Q239 PolarHBondContact SG-NE2 2.91Å; C193-Q239 VanDerWaalsContact SG-NE2 3.37Å; Y194-Q239 PolarHBondContact O-N 3.13Å; Y194-Q239 VanDerWaalsContact O-N 3.11Å; Y194-Q239 PolarHBondContact O-OE1 3.35Å; N195-Q239 HydrophobicContact CB-CB 4.12Å; N195-Q239 VanDerWaalsContact N-OE1 3.09Å; V196-Q239 WeakPolarHBondContact CG2-O 3.43Å; V196-Q239 PolarHBondContact N-O 3.49Å; Q239-V241 VanDerWaalsContact C-N 3.28Å; Q239-V241 PolarHBondContact O-N 2.8Å; Q239-N359 PolarHBondContact NE2-OD1 2.91Å; Q239-H361 HydrophobicContact CB-CB 4.25Å; Q239-H361 HydrophobicContact CG-CB 4.13Å; Q239-D412 HydrophobicContact CG-CB 4.13Å
240	E	98.4	Very high	97.8	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.3	36.1	-176.6	-61.2	-163.5	-164.7	0	0	114.5	N195 V196 L197 C198 Y201 E242 G282 H361	N195-E240 PolarHBondContact ND2-OE1 2.77Å; N195-E240 VanDerWaalsContact ND2-OE1 3.13Å; N195-E240 WeakPolarHBondContact OD1-CB 3.23Å; N195-E240 WeakPolarHBondContact OD1-CG 3.19Å; V196-E240 WeakPolarHBondContact CG2-O 3.42Å; L197-E240 WeakPolarHBondContact CA-OE2 3.33Å; C198-E240 HydrophobicContact CB-CB 4.07Å; C198-E240 WeakPolarHBondContact CB-O 3.45Å; C198-E240 PolarHBondContact N-OE2 3.45Å; C198-E240 PolarHBondContact SG-OE2 2.92Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.31Å; E240-E242 PolarHBondContact O-N 3.35Å; E240-G282 PolarHBondContact N-O 3.08Å; E240-G282 VanDerWaalsContact N-O 3.17Å; E240-H361 IonicContact OE1-CE1 2.73Å; E240-H361 PolarHBondContact OE1-CE1 2.77Å
241	V	98.5	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115	173.2	-177.1	0	0	0	0	109	V196 L238 Q239 Y246 F250 F263 D281 G282 A284	V196-V241 HydrophobicContact CG2-CG2 4.47Å; L238-V241 HydrophobicContact CB-CG2 3.43Å; L238-V241 VanDerWaalsContact CB-CG2 3.43Å; L238-V241 HydrophobicContact CD1-CG2 4.09Å; L238-V241 HydrophobicContact CG-CG2 4.41Å; Q239-V241 VanDerWaalsContact C-N 3.28Å; Q239-V241 PolarHBondContact O-N 2.8Å; V241-Y246 HydrophobicContact CG1-CD2 4.31Å; V241-F250 HydrophobicContact CG1-CD2 3.72Å; V241-F250 HydrophobicContact CG1-CE2 3.91Å; V241-F263 HydrophobicContact CB-CD2 4.36Å; V241-F263 HydrophobicContact CB-CE2 4.07Å; V241-F263 HydrophobicContact CG1-CD2 4.36Å; V241-F263 HydrophobicContact CG1-CE2 4.22Å; V241-F263 VanDerWaalsContact O-CE2 3.22Å; V241-F263 WeakPolarHBondContact O-CE2 3.49Å; V241-D281 CarbonylContact O-C 3.52Å; V241-D281 VanDerWaalsContact O-CA 3.25Å; V241-D281 WeakPolarHBondContact O-CA 3.14Å; V241-G282 PolarHBondContact N-O 2.97Å; V241-G282 VanDerWaalsContact N-O 3.08Å; V241-G282 PolarHBondContact O-N 3.44Å; V241-A284 HydrophobicContact CG2-CB 4.14Å
242	E	97.9	Very high	98.3	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.051	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143.2	173.4	-66.8	-170.1	-172.2	0	0	112.1	C198 D199 K200 E240 E244 Q245 Y246 H279 D281	C198-E242 HydrophobicContact CB-CG 3.67Å; D199-E242 WeakPolarHBondContact CB-OE1 3.24Å; D199-E242 PolarHBondContact N-OE1 3.26Å; K200-E242 PolarHBondContact N-OE1 3.38Å; K200-E242 VanDerWaalsContact N-OE1 3.14Å; E240-E242 PolarHBondContact O-N 3.35Å; E242-E244 PolarHBondContact O-N 2.95Å; E242-Q245 HydrophobicContact CB-CB 4.19Å; E242-Q245 HydrophobicContact CB-CG 3.91Å; E242-Q245 PolarHBondContact O-N 3.33Å; E242-Q245 VanDerWaalsContact O-N 3.13Å; E242-Y246 PolarHBondContact O-N 3.18Å; E242-H279 IonicContact OE2-CD2 2.77Å; E242-D281 HydrophobicContact CG-CB 4.46Å
243	T	97.6	Very high	98.3	Very high	19 Å²	19	25.4 Å²	25.4	12%	0.117	13%	0.127	C	C	.	.	H	α-helix	trans	-55.2	-49.2	-175.9	-63.1	0	0	0	0	112.4	Q245 Y246 F247 F263 P265 R277 K278 V280	T243-Q245 VanDerWaalsContact C-N 3.34Å; T243-Q245 PolarHBondContact O-N 3.13Å; T243-Y246 PolarHBondContact O-N 3.32Å; T243-F247 HydrophobicContact CG2-CD2 4.35Å; T243-F247 HydrophobicContact CG2-CE2 4.12Å; T243-F247 WeakPolarHBondContact O-CD2 3.34Å; T243-F263 HydrophobicContact CG2-CE1 4.14Å; T243-P265 WeakPolarHBondContact OG1-CB 3.31Å; T243-R277 PolarHBondContact OG1-O 3.11Å; T243-K278 WeakPolarHBondContact CB-O 3.35Å; T243-K278 PolarHBondContact N-O 3.03Å; T243-V280 PolarHBondContact N-O 3.08Å; T243-V280 PolarHBondContact OG1-O 2.85Å
244	E	97	Very high	98.3	Very high	53 Å²	53	25.4 Å²	25.4	25%	0.248	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-38.4	179.8	-171.8	165.4	-123.7	0	0	111.9	E242 Y246 F247 N248 K278	E242-E244 PolarHBondContact O-N 2.95Å; E244-Y246 PolarHBondContact O-N 3.33Å; E244-F247 PolarHBondContact O-N 3.35Å; E244-N248 VanDerWaalsContact CG-ND2 3.31Å; E244-N248 WeakPolarHBondContact CG-ND2 3.44Å; E244-N248 WeakPolarHBondContact O-CB 3.35Å; E244-N248 PolarHBondContact O-N 3.25Å; E244-K278 HydrophobicContact CB-CB 4.06Å; E244-K278 HydrophobicContact CB-CG 4.5Å; E244-K278 PolarHBondContact N-O 2.82Å; E244-K278 WeakPolarHBondContact OE1-CD 3.41Å; E244-K278 IonicContact OE1-NZ 3.85Å; E244-K278 PolarHBondContact OE1-NZ 3.42Å; E244-K278 VanDerWaalsContact OE1-NZ 3.1Å
245	Q	98.1	Very high	98.3	Very high	29 Å²	29	30.2 Å²	30.2	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-70	-32.5	179.8	-56.8	-54.1	-38.7	0	0	112.2	W217 E242 T243 F247 F249 F250	W217-Q245 HydrophobicContact CZ2-CB 3.95Å; W217-Q245 HydrophobicContact CZ2-CG 3.69Å; E242-Q245 HydrophobicContact CB-CB 4.19Å; E242-Q245 HydrophobicContact CB-CG 3.91Å; E242-Q245 PolarHBondContact O-N 3.33Å; E242-Q245 VanDerWaalsContact O-N 3.13Å; T243-Q245 VanDerWaalsContact C-N 3.34Å; T243-Q245 PolarHBondContact O-N 3.13Å; Q245-F247 PolarHBondContact O-N 2.83Å; Q245-F249 WeakPolarHBondContact O-CA 3.47Å; Q245-F249 VanDerWaalsContact O-CB 3.31Å; Q245-F249 WeakPolarHBondContact O-CB 3.45Å; Q245-F249 PolarHBondContact O-N 3.06Å; Q245-F250 HydrophobicContact CB-CD2 4.18Å; Q245-F250 HydrophobicContact CB-CE2 4.09Å; Q245-F250 WeakPolarHBondContact O-CD2 3.34Å; Q245-F250 PolarHBondContact O-N 3.38Å
246	Y	98.6	Very high	98.3	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.039	18%	0.183	C	C	.	.	I	π-helix	trans	-57.1	-51.3	172.5	176.8	-101	0	0	0	111.4	V241 E242 T243 E244 L251 F262 F263 A284 F286	V241-Y246 HydrophobicContact CG1-CD2 4.31Å; E242-Y246 PolarHBondContact O-N 3.18Å; T243-Y246 PolarHBondContact O-N 3.32Å; E244-Y246 PolarHBondContact O-N 3.33Å; Y246-L251 HydrophobicContact CE1-CB 4.34Å; Y246-L251 HydrophobicContact CE1-CD2 3.95Å; Y246-L251 HydrophobicContact CE2-CB 4.38Å; Y246-L251 WeakPolarHBondContact O-CB 3.49Å; Y246-L251 PolarHBondContact O-N 3.49Å; Y246-F262 PolarHBondContact OH-N 3.42Å; Y246-F263 HydrophobicContact CD1-CB 3.57Å; Y246-F263 AromaticContact CD1-CD1 3.76Å; Y246-F263 HydrophobicContact CD1-CD1 3.76Å; Y246-F263 AromaticContact CD1-CG 3.79Å; Y246-F263 HydrophobicContact CD1-CG 3.79Å; Y246-F263 HydrophobicContact CD2-CB 3.45Å; Y246-F263 VanDerWaalsContact CD2-CB 3.45Å; Y246-F263 HydrophobicContact CD2-CD2 4.11Å; Y246-F263 AromaticContact CD2-CG 3.79Å; Y246-F263 HydrophobicContact CD2-CG 3.79Å; Y246-F263 HydrophobicContact CE1-CB 3.46Å; Y246-F263 VanDerWaalsContact CE1-CB 3.46Å; Y246-F263 HydrophobicContact CE1-CD1 4.36Å; Y246-F263 HydrophobicContact CE1-CG 4.2Å; Y246-F263 HydrophobicContact CE2-CB 3.33Å; Y246-F263 HydrophobicContact CE2-CG 4.2Å; Y246-F263 HydrophobicContact CG-CB 3.55Å; Y246-F263 AromaticContact CG-CD1 3.84Å; Y246-F263 HydrophobicContact CG-CD1 3.84Å; Y246-F263 HydrophobicContact CG-CD2 4.1Å; Y246-F263 AromaticContact CG-CG 3.55Å; Y246-F263 HydrophobicContact CG-CG 3.55Å; Y246-A284 HydrophobicContact CD2-CB 4.08Å; Y246-A284 HydrophobicContact CE2-CB 4.06Å; Y246-F286 HydrophobicContact CD2-CE1 4.33Å; Y246-F286 AromaticContact CD2-CZ 3.74Å; Y246-F286 HydrophobicContact CD2-CZ 3.74Å; Y246-F286 AromaticContact CE2-CE1 3.62Å; Y246-F286 HydrophobicContact CE2-CE1 3.62Å; Y246-F286 HydrophobicContact CE2-CE2 4.34Å; Y246-F286 AromaticContact CE2-CZ 3.4Å; Y246-F286 HydrophobicContact CE2-CZ 3.4Å
247	F	98.3	Very high	98.2	Very high	113 Å²	113	43 Å²	43	50%	0.496	21%	0.208	S	C	.	.	I	π-helix	trans	-78.2	-32.6	-173.9	-68.5	-68	0	0	0	113.7	T243 E244 Q245 P252 F263	T243-F247 HydrophobicContact CG2-CD2 4.35Å; T243-F247 HydrophobicContact CG2-CE2 4.12Å; T243-F247 WeakPolarHBondContact O-CD2 3.34Å; E244-F247 PolarHBondContact O-N 3.35Å; Q245-F247 PolarHBondContact O-N 2.83Å; F247-P252 VanDerWaalsContact O-CD 3.27Å; F247-P252 WeakPolarHBondContact O-CD 3.2Å; F247-P252 WeakPolarHBondContact O-CG 3.44Å; F247-F263 HydrophobicContact CE2-CD1 4.41Å
248	N	97.9	Very high	98.2	Very high	114 Å²	114	44.6 Å²	44.6	61%	0.61	22%	0.224	S	C	*	.	I	π-helix	trans	-100.5	-16.7	-172.7	-65.3	-18.9	0	0	0	114.2	E244	E244-N248 VanDerWaalsContact CG-ND2 3.31Å; E244-N248 WeakPolarHBondContact CG-ND2 3.44Å; E244-N248 WeakPolarHBondContact O-CB 3.35Å; E244-N248 PolarHBondContact O-N 3.25Å
249	F	98.1	Very high	98.2	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.057	23%	0.225	C	C	.	.	I	π-helix	trans	-127.8	-67.2	-175	176	-112.5	0	0	0	111.9	W217 K221 M225 Q245 P252 E253	W217-F249 HydrophobicContact CZ2-CD1 4.13Å; W217-F249 HydrophobicContact CZ2-CE1 4.39Å; K221-F249 HydrophobicContact CB-CD1 4.42Å; K221-F249 HydrophobicContact CB-CE1 3.75Å; K221-F249 HydrophobicContact CB-CE2 4.4Å; K221-F249 HydrophobicContact CB-CZ 3.74Å; K221-F249 HydrophobicContact CD-CD2 4.37Å; K221-F249 HydrophobicContact CD-CE2 4.2Å; K221-F249 HydrophobicContact CD-CZ 4.35Å; K221-F249 HydrophobicContact CG-CE1 4.37Å; K221-F249 HydrophobicContact CG-CE2 4.14Å; K221-F249 HydrophobicContact CG-CZ 3.94Å; K221-F249 VanDerWaalsContact O-CZ 3.29Å; K221-F249 WeakPolarHBondContact O-CZ 3.22Å; M225-F249 HydrophobicContact CB-CZ 3.93Å; M225-F249 HydrophobicContact CE-CE1 3.96Å; M225-F249 HydrophobicContact CE-CZ 3.98Å; Q245-F249 WeakPolarHBondContact O-CA 3.47Å; Q245-F249 VanDerWaalsContact O-CB 3.31Å; Q245-F249 WeakPolarHBondContact O-CB 3.45Å; Q245-F249 PolarHBondContact O-N 3.06Å; F249-P252 WeakPolarHBondContact O-CD 3.24Å; F249-E253 HydrophobicContact CD2-CG 4.45Å; F249-E253 WeakPolarHBondContact CD2-OE1 3.34Å; F249-E253 WeakPolarHBondContact CE2-OE1 3.49Å; F249-E253 VanDerWaalsContact CE2-OE2 3.27Å; F249-E253 WeakPolarHBondContact CE2-OE2 3.25Å; F249-E253 WeakPolarHBondContact O-CB 3.31Å; F249-E253 WeakPolarHBondContact O-CG 3.35Å; F249-E253 PolarHBondContact O-N 3.42Å; F249-E253 VanDerWaalsContact O-N 3.16Å
250	F	98.6	Very high	98.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-64	-50.2	-172.9	-69.8	-76.6	0	0	0	113.4	V196 W217 I224 M225 I228 L238 V241 Q245 L254 F286	V196-F250 HydrophobicContact CG2-CZ 4.21Å; W217-F250 AromaticContact CH2-CE2 3.97Å; W217-F250 HydrophobicContact CH2-CE2 3.97Å; W217-F250 AromaticContact CH2-CZ 3.89Å; W217-F250 HydrophobicContact CH2-CZ 3.89Å; W217-F250 HydrophobicContact CZ2-CE2 4.2Å; W217-F250 HydrophobicContact CZ2-CZ 4.44Å; I224-F250 HydrophobicContact CG2-CE1 3.94Å; I224-F250 HydrophobicContact CG2-CZ 4.21Å; M225-F250 HydrophobicContact CE-CD1 3.92Å; I228-F250 HydrophobicContact CD1-CD1 4.27Å; I228-F250 HydrophobicContact CD1-CE1 3.93Å; L238-F250 HydrophobicContact CD1-CD1 3.95Å; L238-F250 HydrophobicContact CD1-CE1 3.95Å; V241-F250 HydrophobicContact CG1-CD2 3.72Å; V241-F250 HydrophobicContact CG1-CE2 3.91Å; Q245-F250 HydrophobicContact CB-CD2 4.18Å; Q245-F250 HydrophobicContact CB-CE2 4.09Å; Q245-F250 WeakPolarHBondContact O-CD2 3.34Å; Q245-F250 PolarHBondContact O-N 3.38Å; F250-L254 VanDerWaalsContact O-CB 3.26Å; F250-L254 WeakPolarHBondContact O-CB 3.41Å; F250-L254 VanDerWaalsContact O-CG 3.27Å; F250-L254 WeakPolarHBondContact O-CG 3.34Å; F250-L254 PolarHBondContact O-N 2.85Å; F250-F286 HydrophobicContact CB-CZ 3.84Å
251	L	98.6	Very high	98.1	Very high	22 Å²	22	46.6 Å²	46.6	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-45.9	-176.4	-177.5	67.8	0	0	0	112.7	Y246 K255 F286	Y246-L251 HydrophobicContact CE1-CB 4.34Å; Y246-L251 HydrophobicContact CE1-CD2 3.95Å; Y246-L251 HydrophobicContact CE2-CB 4.38Å; Y246-L251 WeakPolarHBondContact O-CB 3.49Å; Y246-L251 PolarHBondContact O-N 3.49Å; L251-K255 HydrophobicContact CD1-CD 4.25Å; L251-K255 HydrophobicContact CD1-CG 4.21Å; L251-K255 HydrophobicContact CG-CD 4.1Å; L251-K255 HydrophobicContact CG-CG 4.44Å; L251-K255 VanDerWaalsContact O-CB 3.25Å; L251-K255 WeakPolarHBondContact O-CB 3.35Å; L251-K255 VanDerWaalsContact O-CG 3.23Å; L251-K255 WeakPolarHBondContact O-CG 3.29Å; L251-K255 PolarHBondContact O-N 3.5Å; L251-F286 HydrophobicContact CB-CE1 4.37Å; L251-F286 HydrophobicContact CD1-CD1 4.43Å; L251-F286 HydrophobicContact CD1-CE1 4.02Å
252	P	98.4	Very high	98.1	Very high	53 Å²	53	48.2 Å²	48.2	34%	0.344	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-48.9	175.8	-25.3	36	0	0	0	112.9	F247 F249 L254 K255 E256	F247-P252 VanDerWaalsContact O-CD 3.27Å; F247-P252 WeakPolarHBondContact O-CD 3.2Å; F247-P252 WeakPolarHBondContact O-CG 3.44Å; F249-P252 WeakPolarHBondContact O-CD 3.24Å; P252-L254 PolarHBondContact O-N 3.02Å; P252-K255 WeakPolarHBondContact O-CB 3.49Å; P252-K255 PolarHBondContact O-N 2.9Å; P252-E256 PolarHBondContact O-N 3.23Å
253	E	98.1	Very high	98.2	Very high	71 Å²	71	48.6 Å²	48.6	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-40.7	-177.3	-68.9	-169.6	-174.2	0	0	112.2	M225 F249 E256	M225-E253 HydrophobicContact CE-CB 3.83Å; M225-E253 WeakPolarHBondContact CE-OE2 3.43Å; M225-E253 VanDerWaalsContact CG-OE2 3.25Å; M225-E253 WeakPolarHBondContact CG-OE2 3.45Å; M225-E253 HydrophobicContact SD-CB 4.4Å; F249-E253 HydrophobicContact CD2-CG 4.45Å; F249-E253 WeakPolarHBondContact CD2-OE1 3.34Å; F249-E253 WeakPolarHBondContact CE2-OE1 3.49Å; F249-E253 VanDerWaalsContact CE2-OE2 3.27Å; F249-E253 WeakPolarHBondContact CE2-OE2 3.25Å; F249-E253 WeakPolarHBondContact O-CB 3.31Å; F249-E253 WeakPolarHBondContact O-CG 3.35Å; F249-E253 PolarHBondContact O-N 3.42Å; F249-E253 VanDerWaalsContact O-N 3.16Å; E253-E256 PolarHBondContact O-N 3.21Å
254	L	98.4	Very high	98.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.6	-29	176.3	-67.4	173.1	0	0	0	112.4	M225 I228 L229 I236 F250 P252 E256 Q257 G258 Y259 F286	M225-L254 HydrophobicContact CE-CG 4.43Å; M225-L254 HydrophobicContact SD-CD2 4.07Å; M225-L254 HydrophobicContact SD-CG 4.37Å; I228-L254 HydrophobicContact CG2-CD2 3.89Å; L229-L254 HydrophobicContact CD2-CD2 3.85Å; I236-L254 HydrophobicContact CD1-CD2 4.25Å; F250-L254 VanDerWaalsContact O-CB 3.26Å; F250-L254 WeakPolarHBondContact O-CB 3.41Å; F250-L254 VanDerWaalsContact O-CG 3.27Å; F250-L254 WeakPolarHBondContact O-CG 3.34Å; F250-L254 PolarHBondContact O-N 2.85Å; P252-L254 PolarHBondContact O-N 3.02Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.18Å; L254-Q257 CarbonylContact O-C 3.59Å; L254-Q257 WeakPolarHBondContact O-CA 3.45Å; L254-Q257 PolarHBondContact O-N 2.92Å; L254-G258 PolarHBondContact O-N 2.93Å; L254-Y259 HydrophobicContact CB-CD2 4.27Å; L254-Y259 HydrophobicContact CB-CG 4.27Å; L254-Y259 HydrophobicContact CD2-CD2 4.32Å; L254-Y259 HydrophobicContact CD2-CE2 4.46Å; L254-Y259 WeakPolarHBondContact O-CB 3.28Å; L254-Y259 VanDerWaalsContact O-CD2 3.27Å; L254-Y259 WeakPolarHBondContact O-CD2 3.34Å; L254-Y259 PolarHBondContact O-N 2.86Å; L254-F286 HydrophobicContact CB-CD1 4.33Å; L254-F286 HydrophobicContact CD1-CB 4.3Å; L254-F286 HydrophobicContact CD1-CD1 3.61Å; L254-F286 HydrophobicContact CD1-CD2 3.75Å; L254-F286 HydrophobicContact CD1-CE1 3.72Å; L254-F286 HydrophobicContact CD1-CE2 3.86Å; L254-F286 HydrophobicContact CD1-CG 3.61Å; L254-F286 HydrophobicContact CD1-CZ 3.84Å
255	K	98.2	Very high	98.2	Very high	111 Å²	111	47.9 Å²	47.9	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-37.4	172.9	-87.3	179.4	175.1	-178.1	0	112.5	L251 P252 Q257 G258 Y259	L251-K255 HydrophobicContact CD1-CD 4.25Å; L251-K255 HydrophobicContact CD1-CG 4.21Å; L251-K255 HydrophobicContact CG-CD 4.1Å; L251-K255 HydrophobicContact CG-CG 4.44Å; L251-K255 VanDerWaalsContact O-CB 3.25Å; L251-K255 WeakPolarHBondContact O-CB 3.35Å; L251-K255 VanDerWaalsContact O-CG 3.23Å; L251-K255 WeakPolarHBondContact O-CG 3.29Å; L251-K255 PolarHBondContact O-N 3.5Å; P252-K255 WeakPolarHBondContact O-CB 3.49Å; P252-K255 PolarHBondContact O-N 2.9Å; K255-Q257 PolarHBondContact O-N 3.27Å; K255-G258 PolarHBondContact O-N 2.91Å; K255-Y259 WeakPolarHBondContact CA-O 3.48Å; K255-Y259 VanDerWaalsContact CG-O 3.31Å; K255-Y259 WeakPolarHBondContact CG-O 3.45Å
256	E	97.8	Very high	98.1	Very high	159 Å²	159	47 Å²	47	74%	0.743	24%	0.241	S	C	*	.	H	α-helix	trans	-61.3	-26.3	173.8	-67	-178	176.3	0	0	112.2	P252 E253 L254	P252-E256 PolarHBondContact O-N 3.23Å; E253-E256 PolarHBondContact O-N 3.21Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.18Å
257	Q	97.6	Very high	97.7	Very high	110 Å²	110	47 Å²	47	51%	0.514	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	13.2	176.7	-55.2	-59.7	-43.2	0	0	113.3	L229 L254 K255 Y259	L229-Q257 HydrophobicContact CD2-CB 4.4Å; L229-Q257 HydrophobicContact CD2-CG 3.77Å; L254-Q257 CarbonylContact O-C 3.59Å; L254-Q257 WeakPolarHBondContact O-CA 3.45Å; L254-Q257 PolarHBondContact O-N 2.92Å; K255-Q257 PolarHBondContact O-N 3.27Å; Q257-Y259 HydrophobicContact CB-CD2 3.88Å; Q257-Y259 HydrophobicContact CB-CE2 3.84Å; Q257-Y259 WeakPolarHBondContact O-CD2 3.26Å; Q257-Y259 WeakPolarHBondContact O-CE2 3.37Å
258	G	97.9	Very high	97.3	Very high	33 Å²	33	43.8 Å²	43.8	34%	0.34	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	13.6	173.5	0	0	0	0	0	115.8	L254 K255 T289	L254-G258 PolarHBondContact O-N 2.93Å; K255-G258 PolarHBondContact O-N 2.91Å; G258-T289 PolarHBondContact O-N 2.83Å; G258-T289 PolarHBondContact O-OG1 3.45Å
259	Y	98.7	Very high	96.6	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	151.3	177.2	-62.7	-103.5	0	0	0	112.3	N232 A233 I236 L254 K255 Q257 F286 F287 K288	N232-Y259 PolarHBondContact OD1-OH 3.19Å; A233-Y259 WeakPolarHBondContact O-CE1 3.49Å; A233-Y259 PolarHBondContact O-OH 3.09Å; I236-Y259 HydrophobicContact CD1-CD1 4.03Å; I236-Y259 HydrophobicContact CD1-CE1 3.47Å; I236-Y259 VanDerWaalsContact CD1-CE1 3.47Å; I236-Y259 HydrophobicContact CG1-CE1 4.18Å; L254-Y259 HydrophobicContact CB-CD2 4.27Å; L254-Y259 HydrophobicContact CB-CG 4.27Å; L254-Y259 HydrophobicContact CD2-CD2 4.32Å; L254-Y259 HydrophobicContact CD2-CE2 4.46Å; L254-Y259 WeakPolarHBondContact O-CB 3.28Å; L254-Y259 VanDerWaalsContact O-CD2 3.27Å; L254-Y259 WeakPolarHBondContact O-CD2 3.34Å; L254-Y259 PolarHBondContact O-N 2.86Å; K255-Y259 WeakPolarHBondContact CA-O 3.48Å; K255-Y259 VanDerWaalsContact CG-O 3.31Å; K255-Y259 WeakPolarHBondContact CG-O 3.45Å; Q257-Y259 HydrophobicContact CB-CD2 3.88Å; Q257-Y259 HydrophobicContact CB-CE2 3.84Å; Q257-Y259 WeakPolarHBondContact O-CD2 3.26Å; Q257-Y259 WeakPolarHBondContact O-CE2 3.37Å; Y259-F286 HydrophobicContact CD1-CB 4.08Å; Y259-F287 WeakPolarHBondContact CA-O 3.29Å; Y259-K288 HydrophobicContact CD1-CG 3.94Å; Y259-K288 HydrophobicContact CD2-CG 4.49Å; Y259-K288 HydrophobicContact CE1-CD 4.5Å; Y259-K288 HydrophobicContact CE1-CG 3.55Å; Y259-K288 HydrophobicContact CE2-CG 4.16Å; Y259-K288 HydrophobicContact CG-CG 4.41Å; Y259-K288 WeakPolarHBondContact OH-CE 3.37Å
260	D	98.5	Very high	96.1	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	164	156.4	-172.6	32.7	0	0	0	109	F286 F287 T289 K297	D260-F286 VanDerWaalsContact O-CA 3.26Å; D260-F286 WeakPolarHBondContact O-CA 3.12Å; D260-F287 HydrophobicContact CB-CE2 3.95Å; D260-F287 HydrophobicContact CB-CZ 3.92Å; D260-F287 PolarHBondContact N-O 3.17Å; D260-F287 PolarHBondContact O-N 3.35Å; D260-T289 HydrophobicContact CB-CG2 3.6Å; D260-K297 IonicContact OD2-NZ 3.62Å
261	G	98.1	Very high	95.5	Very high	4 Å²	4	52.6 Å²	52.6	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.1	-171.8	0	0	0	0	0	115	I285 K297	G261-I285 CarbonylContact C-O 3.54Å; G261-I285 VanDerWaalsContact CA-O 3.32Å; G261-I285 WeakPolarHBondContact CA-O 3.29Å; G261-K297 PolarHBondContact O-NZ 3.35Å
262	F	98.8	Very high	95.1	Very high	34 Å²	34	54.9 Å²	54.9	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.7	162.8	177.7	-121.3	0	0	0	109.4	Y246 A284 I285 K297 H298 V328 V330	Y246-F262 PolarHBondContact OH-N 3.42Å; F262-A284 CarbonylContact O-C 3.44Å; F262-A284 VanDerWaalsContact O-CA 3.25Å; F262-A284 WeakPolarHBondContact O-CA 3.38Å; F262-I285 PolarHBondContact N-O 2.73Å; F262-I285 PolarHBondContact O-N 3.07Å; F262-K297 HydrophobicContact CB-CD 3.92Å; F262-K297 HydrophobicContact CB-CG 4.29Å; F262-K297 HydrophobicContact CD1-CB 4.1Å; F262-K297 HydrophobicContact CD2-CB 3.81Å; F262-K297 HydrophobicContact CD2-CD 3.61Å; F262-K297 HydrophobicContact CD2-CG 4.1Å; F262-K297 HydrophobicContact CE1-CB 4.12Å; F262-K297 HydrophobicContact CE2-CB 3.83Å; F262-K297 HydrophobicContact CE2-CD 4.34Å; F262-K297 HydrophobicContact CG-CB 3.93Å; F262-K297 HydrophobicContact CG-CD 3.87Å; F262-K297 HydrophobicContact CG-CG 4.05Å; F262-K297 HydrophobicContact CZ-CB 3.98Å; F262-H298 WeakPolarHBondContact CE1-O 3.44Å; F262-V328 HydrophobicContact CD1-CB 4.1Å; F262-V328 HydrophobicContact CD1-CG1 4.45Å; F262-V328 HydrophobicContact CE1-CB 3.83Å; F262-V328 HydrophobicContact CE1-CG1 3.92Å; F262-V330 HydrophobicContact CB-CG2 3.77Å; F262-V330 HydrophobicContact CD1-CG2 3.72Å; F262-V330 HydrophobicContact CG-CG2 4.1Å
263	F	98.6	Very high	94.8	Very high	20 Å²	20	54.9 Å²	54.9	9%	0.088	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.9	179.6	166.2	-102.3	0	0	0	110.4	V241 T243 Y246 F247 P265 C283 A284	V241-F263 HydrophobicContact CB-CD2 4.36Å; V241-F263 HydrophobicContact CB-CE2 4.07Å; V241-F263 HydrophobicContact CG1-CD2 4.36Å; V241-F263 HydrophobicContact CG1-CE2 4.22Å; V241-F263 VanDerWaalsContact O-CE2 3.22Å; V241-F263 WeakPolarHBondContact O-CE2 3.49Å; T243-F263 HydrophobicContact CG2-CE1 4.14Å; Y246-F263 HydrophobicContact CD1-CB 3.57Å; Y246-F263 AromaticContact CD1-CD1 3.76Å; Y246-F263 HydrophobicContact CD1-CD1 3.76Å; Y246-F263 AromaticContact CD1-CG 3.79Å; Y246-F263 HydrophobicContact CD1-CG 3.79Å; Y246-F263 HydrophobicContact CD2-CB 3.45Å; Y246-F263 VanDerWaalsContact CD2-CB 3.45Å; Y246-F263 HydrophobicContact CD2-CD2 4.11Å; Y246-F263 AromaticContact CD2-CG 3.79Å; Y246-F263 HydrophobicContact CD2-CG 3.79Å; Y246-F263 HydrophobicContact CE1-CB 3.46Å; Y246-F263 VanDerWaalsContact CE1-CB 3.46Å; Y246-F263 HydrophobicContact CE1-CD1 4.36Å; Y246-F263 HydrophobicContact CE1-CG 4.2Å; Y246-F263 HydrophobicContact CE2-CB 3.33Å; Y246-F263 HydrophobicContact CE2-CG 4.2Å; Y246-F263 HydrophobicContact CG-CB 3.55Å; Y246-F263 AromaticContact CG-CD1 3.84Å; Y246-F263 HydrophobicContact CG-CD1 3.84Å; Y246-F263 HydrophobicContact CG-CD2 4.1Å; Y246-F263 AromaticContact CG-CG 3.55Å; Y246-F263 HydrophobicContact CG-CG 3.55Å; F247-F263 HydrophobicContact CE2-CD1 4.41Å; F263-P265 HydrophobicContact CE1-CB 4.16Å; F263-P265 HydrophobicContact CE1-CG 4.38Å; F263-P265 HydrophobicContact CZ-CB 3.98Å; F263-C283 WeakPolarHBondContact CA-O 3.19Å; F263-C283 WeakPolarHBondContact CD2-O 3.05Å; F263-A284 HydrophobicContact CB-CB 4.3Å; F263-A284 HydrophobicContact CD2-CB 4.14Å
264	S	98.4	Very high	94.3	Very high	20 Å²	20	58.1 Å²	58.1	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.5	168.6	-156.4	0	0	0	0	109.6	G282 C283 T299 I326	S264-G282 WeakPolarHBondContact O-CA 3.49Å; S264-C283 PolarHBondContact N-O 3.47Å; S264-C283 PolarHBondContact O-N 2.9Å; S264-C283 VanDerWaalsContact O-N 3.16Å; S264-T299 VanDerWaalsContact CB-OG1 3.26Å; S264-T299 WeakPolarHBondContact CB-OG1 3.5Å; S264-T299 VanDerWaalsContact OG-CG2 3.27Å; S264-T299 WeakPolarHBondContact OG-CG2 3.41Å; S264-T299 PolarHBondContact OG-OG1 2.59Å; S264-I326 WeakPolarHBondContact O-CD1 3.47Å
265	P	97.6	Very high	93.8	Very high	37 Å²	37	61.4 Å²	61.4	24%	0.24	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	159.4	174.6	32.9	-34.8	0	0	0	111.8	T243 F263 A269 V280 I326	T243-P265 WeakPolarHBondContact OG1-CB 3.31Å; F263-P265 HydrophobicContact CE1-CB 4.16Å; F263-P265 HydrophobicContact CE1-CG 4.38Å; F263-P265 HydrophobicContact CZ-CB 3.98Å; P265-A269 HydrophobicContact CB-CB 3.94Å; P265-A269 HydrophobicContact CG-CB 3.8Å; P265-V280 HydrophobicContact CB-CG1 4.04Å; P265-I326 WeakPolarHBondContact O-CD1 3.46Å
266	K	95.6	Very high	93.4	Very high	11 Å²	11	59.9 Å²	59.9	5%	0.048	31%	0.314	C	S	.	.			trans	-54.7	148.8	171.5	-83.5	-177	-93	-168	0	112.1	R268 A269 V280 D281 D324 I326	K266-R268 PolarHBondContact O-N 3.37Å; K266-A269 VanDerWaalsContact O-CB 3.31Å; K266-A269 WeakPolarHBondContact O-CB 3.36Å; K266-A269 PolarHBondContact O-N 3.43Å; K266-V280 HydrophobicContact CB-CG1 4.11Å; K266-D281 WeakPolarHBondContact CB-O 3.48Å; K266-D281 WeakPolarHBondContact CE-OD1 3.33Å; K266-D281 WeakPolarHBondContact CE-OD2 3.25Å; K266-D281 PolarHBondContact N-O 3.32Å; K266-D281 VanDerWaalsContact NZ-CG 3.28Å; K266-D281 IonicContact NZ-OD1 3.59Å; K266-D281 PolarHBondContact NZ-OD1 3.12Å; K266-D281 VanDerWaalsContact NZ-OD1 3.11Å; K266-D281 IonicContact NZ-OD2 3.58Å; K266-D281 PolarHBondContact NZ-OD2 2.9Å; K266-D324 WeakPolarHBondContact CB-O 3.21Å; K266-D324 WeakPolarHBondContact CG-O 3.2Å; K266-I326 HydrophobicContact CG-CG1 4.1Å
267	S	90.1	Very high	93.1	Very high	10 Å²	10	57.7 Å²	57.7	7%	0.07	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-57.4	-27.2	-167.2	-64.8	0	0	0	0	114.6	A269 R270 E301 N303 D324	S267-A269 PolarHBondContact O-N 3.26Å; S267-A269 VanDerWaalsContact O-N 3.1Å; S267-R270 PolarHBondContact O-N 3.31Å; S267-E301 WeakPolarHBondContact CB-OE2 3.44Å; S267-E301 VanDerWaalsContact OG-CD 3.25Å; S267-E301 WeakPolarHBondContact OG-CG 3.38Å; S267-E301 PolarHBondContact OG-OE2 3.35Å; S267-N303 WeakPolarHBondContact CB-ND2 3.3Å; S267-D324 PolarHBondContact N-O 3.42Å
268	R	89	Confident	92.9	Very high	44 Å²	44	56.4 Å²	56.4	17%	0.166	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56.3	-24.9	176	66.7	176.5	179.7	-90.2	0.6	113.7	K266 R270 T271 M272 V280 D281 D324	K266-R268 PolarHBondContact O-N 3.37Å; R268-R270 PolarHBondContact O-N 3.47Å; R268-T271 PolarHBondContact O-N 3.47Å; R268-T271 VanDerWaalsContact O-N 3.11Å; R268-T271 PolarHBondContact O-OG1 2.99Å; R268-M272 HydrophobicContact CB-SD 4.4Å; R268-M272 HydrophobicContact CG-SD 4.1Å; R268-M272 VanDerWaalsContact O-CG 3.31Å; R268-M272 WeakPolarHBondContact O-CG 3.28Å; R268-M272 PolarHBondContact O-N 3.2Å; R268-V280 HydrophobicContact CG-CG1 3.98Å; R268-V280 HydrophobicContact CG-CG2 4.27Å; R268-D281 IonicContact CZ-OD1 2.78Å; R268-D281 IonicContact NH2-OD1 3.4Å; R268-D281 PolarHBondContact NH2-OD1 3.4Å; R268-D324 HydrophobicContact CB-CB 4.46Å; R268-D324 WeakPolarHBondContact CB-OD2 3.41Å; R268-D324 WeakPolarHBondContact CD-OD2 3.2Å; R268-D324 WeakPolarHBondContact CG-OD2 3.38Å; R268-D324 IonicContact CZ-OD2 2.66Å; R268-D324 IonicContact NE-OD2 3.07Å; R268-D324 IonicContact NH1-OD1 2.72Å; R268-D324 IonicContact NH1-OD2 3.99Å; R268-D324 PolarHBondContact NH1-OD2 2.83Å
269	A	84.3	Confident	92.7	Very high	6 Å²	6	59 Å²	59	5%	0.05	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-53.1	-25.9	176.2	0	0	0	0	0	114	P265 K266 S267 R277 V280	P265-A269 HydrophobicContact CB-CB 3.94Å; P265-A269 HydrophobicContact CG-CB 3.8Å; K266-A269 VanDerWaalsContact O-CB 3.31Å; K266-A269 WeakPolarHBondContact O-CB 3.36Å; K266-A269 PolarHBondContact O-N 3.43Å; S267-A269 PolarHBondContact O-N 3.26Å; S267-A269 VanDerWaalsContact O-N 3.1Å; A269-R277 HydrophobicContact CB-CG 3.91Å; A269-R277 WeakPolarHBondContact O-CD 3.49Å; A269-V280 HydrophobicContact CB-CB 4.2Å; A269-V280 HydrophobicContact CB-CG1 4Å; A269-V280 HydrophobicContact CB-CG2 4.31Å
270	R	86	Confident	92.6	Very high	180 Å²	180	58.8 Å²	58.8	68%	0.679	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-74.8	-25.9	-178.4	-65.1	-175.5	178.7	-158.6	-0.4	114.2	S267 R268 E301	S267-R270 PolarHBondContact O-N 3.31Å; R268-R270 PolarHBondContact O-N 3.47Å; R270-E301 IonicContact CZ-OE1 2.78Å; R270-E301 IonicContact NE-OE1 3.84Å; R270-E301 PolarHBondContact NE-OE1 3.03Å; R270-E301 IonicContact NH1-OE1 3.52Å; R270-E301 IonicContact NH2-OE1 3.22Å; R270-E301 PolarHBondContact NH2-OE1 2.79Å
271	T	87.2	Confident	92.5	Very high	127 Å²	127	56.5 Å²	56.5	78%	0.779	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-2.8	-175	55.5	0	0	0	0	113	R268	R268-T271 PolarHBondContact O-N 3.47Å; R268-T271 VanDerWaalsContact O-N 3.11Å; R268-T271 PolarHBondContact O-OG1 2.99Å
272	M	90.3	Very high	92.5	Very high	69 Å²	69	56.4 Å²	56.4	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	-92.5	161.8	-178.5	-68.1	-176.5	86.6	0	0	112.4	R268 D276 V280	R268-M272 HydrophobicContact CB-SD 4.4Å; R268-M272 HydrophobicContact CG-SD 4.1Å; R268-M272 VanDerWaalsContact O-CG 3.31Å; R268-M272 WeakPolarHBondContact O-CG 3.28Å; R268-M272 PolarHBondContact O-N 3.2Å; M272-D276 HydrophobicContact CB-CB 4.36Å; M272-D276 HydrophobicContact CE-CB 3.47Å; M272-D276 VanDerWaalsContact CE-CB 3.47Å; M272-V280 HydrophobicContact SD-CG2 3.68Å
273	S	91.5	Very high	92.5	Very high	54 Å²	54	54.8 Å²	54.8	38%	0.378	27%	0.274	S	S	.	.			trans	-63.2	160.9	171	76.8	0	0	0	0	111.3	S275 D276 R277	S273-S275 VanDerWaalsContact C-N 3.31Å; S273-S275 PolarHBondContact O-N 3.07Å; S273-S275 PolarHBondContact OG-OG 2.79Å; S273-S275 VanDerWaalsContact OG-OG 3.05Å; S273-D276 PolarHBondContact O-N 2.76Å; S273-D276 PolarHBondContact OG-N 3.27Å; S273-D276 PolarHBondContact OG-OD2 3.35Å; S273-R277 VanDerWaalsContact O-CB 3.26Å; S273-R277 WeakPolarHBondContact O-CB 3.42Å; S273-R277 PolarHBondContact O-N 3.09Å
274	E	87.6	Confident	92.5	Very high	138 Å²	138	53.9 Å²	53.9	65%	0.645	27%	0.27	S	S	*	.	H	α-helix	trans	-62.5	-36.6	179.3	-173.9	171.4	-161.7	0	0	112.9
275	S	88.4	Confident	92.5	Very high	70 Å²	70	52.9 Å²	52.9	49%	0.49	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-40.8	177.3	53.5	0	0	0	0	112.2	S273 H279	S273-S275 VanDerWaalsContact C-N 3.31Å; S273-S275 PolarHBondContact O-N 3.07Å; S273-S275 PolarHBondContact OG-OG 2.79Å; S273-S275 VanDerWaalsContact OG-OG 3.05Å; S275-H279 PolarHBondContact O-CE1 2.86Å; S275-H279 PolarHBondContact O-ND1 2.85Å
276	D	89.8	Confident	92.6	Very high	79 Å²	79	51.1 Å²	51.1	42%	0.422	25%	0.251	S	S	.	.	H	α-helix	trans	-79.8	-32.2	-177	-53.8	-34.1	0	0	0	111.5	M272 S273 K278 H279	M272-D276 HydrophobicContact CB-CB 4.36Å; M272-D276 HydrophobicContact CE-CB 3.47Å; M272-D276 VanDerWaalsContact CE-CB 3.47Å; S273-D276 PolarHBondContact O-N 2.76Å; S273-D276 PolarHBondContact OG-N 3.27Å; S273-D276 PolarHBondContact OG-OD2 3.35Å; D276-K278 PolarHBondContact O-N 2.97Å; D276-H279 PolarHBondContact O-N 3.38Å; D276-H279 VanDerWaalsContact O-N 3.1Å
277	R	91.6	Very high	92.7	Very high	112 Å²	112	50.7 Å²	50.7	42%	0.423	25%	0.25	S	C	.	.	H	α-helix	trans	-57.3	-34.1	177.5	-175	177.6	66.1	171.5	-1.8	112.5	T243 A269 S273 H279 V280	T243-R277 PolarHBondContact OG1-O 3.11Å; A269-R277 HydrophobicContact CB-CG 3.91Å; A269-R277 WeakPolarHBondContact O-CD 3.49Å; S273-R277 VanDerWaalsContact O-CB 3.26Å; S273-R277 WeakPolarHBondContact O-CB 3.42Å; S273-R277 PolarHBondContact O-N 3.09Å; R277-H279 PolarHBondContact O-N 2.58Å; R277-V280 WeakPolarHBondContact O-CB 3.3Å; R277-V280 PolarHBondContact O-N 3.44Å; R277-V280 VanDerWaalsContact O-N 3.1Å
278	K	92.6	Very high	93.1	Very high	83 Å²	83	51 Å²	51	36%	0.361	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.5	177.6	-73.7	176.4	170.9	-151	0	113.6	T243 E244 D276	T243-K278 WeakPolarHBondContact CB-O 3.35Å; T243-K278 PolarHBondContact N-O 3.03Å; E244-K278 HydrophobicContact CB-CB 4.06Å; E244-K278 HydrophobicContact CB-CG 4.5Å; E244-K278 PolarHBondContact N-O 2.82Å; E244-K278 WeakPolarHBondContact OE1-CD 3.41Å; E244-K278 IonicContact OE1-NZ 3.85Å; E244-K278 PolarHBondContact OE1-NZ 3.42Å; E244-K278 VanDerWaalsContact OE1-NZ 3.1Å; D276-K278 PolarHBondContact O-N 2.97Å
279	H	93.4	Very high	93.5	Very high	88 Å²	88	51.6 Å²	51.6	41%	0.407	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.9	-178	-51.5	94.3	0	0	0	112.2	E242 S275 D276 R277	E242-H279 IonicContact OE2-CD2 2.77Å; S275-H279 PolarHBondContact O-CE1 2.86Å; S275-H279 PolarHBondContact O-ND1 2.85Å; D276-H279 PolarHBondContact O-N 3.38Å; D276-H279 VanDerWaalsContact O-N 3.1Å; R277-H279 PolarHBondContact O-N 2.58Å
280	V	96.3	Very high	94.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	29%	0.285	C	S	.	.			trans	-79.6	122.9	171.8	178.8	0	0	0	0	108.3	T243 P265 K266 R268 A269 M272 R277	T243-V280 PolarHBondContact N-O 3.08Å; T243-V280 PolarHBondContact OG1-O 2.85Å; P265-V280 HydrophobicContact CB-CG1 4.04Å; K266-V280 HydrophobicContact CB-CG1 4.11Å; R268-V280 HydrophobicContact CG-CG1 3.98Å; R268-V280 HydrophobicContact CG-CG2 4.27Å; A269-V280 HydrophobicContact CB-CB 4.2Å; A269-V280 HydrophobicContact CB-CG1 4Å; A269-V280 HydrophobicContact CB-CG2 4.31Å; M272-V280 HydrophobicContact SD-CG2 3.68Å; R277-V280 WeakPolarHBondContact O-CB 3.3Å; R277-V280 PolarHBondContact O-N 3.44Å; R277-V280 VanDerWaalsContact O-N 3.1Å
281	D	97.5	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	160.7	176.5	74.2	-61.4	0	0	0	112.5	C198 V241 E242 K266 R268	C198-D281 HydrophobicContact CB-CB 4.08Å; V241-D281 CarbonylContact O-C 3.52Å; V241-D281 VanDerWaalsContact O-CA 3.25Å; V241-D281 WeakPolarHBondContact O-CA 3.14Å; E242-D281 HydrophobicContact CG-CB 4.46Å; K266-D281 WeakPolarHBondContact CB-O 3.48Å; K266-D281 WeakPolarHBondContact CE-OD1 3.33Å; K266-D281 WeakPolarHBondContact CE-OD2 3.25Å; K266-D281 PolarHBondContact N-O 3.32Å; K266-D281 VanDerWaalsContact NZ-CG 3.28Å; K266-D281 IonicContact NZ-OD1 3.59Å; K266-D281 PolarHBondContact NZ-OD1 3.12Å; K266-D281 VanDerWaalsContact NZ-OD1 3.11Å; K266-D281 IonicContact NZ-OD2 3.58Å; K266-D281 PolarHBondContact NZ-OD2 2.9Å; R268-D281 IonicContact CZ-OD1 2.78Å; R268-D281 IonicContact NH2-OD1 3.4Å; R268-D281 PolarHBondContact NH2-OD1 3.4Å
282	G	98	Very high	94.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-159.4	-179.9	0	0	0	0	0	113.3	E240 V241 S264	E240-G282 PolarHBondContact N-O 3.08Å; E240-G282 VanDerWaalsContact N-O 3.17Å; V241-G282 PolarHBondContact N-O 2.97Å; V241-G282 VanDerWaalsContact N-O 3.08Å; V241-G282 PolarHBondContact O-N 3.44Å; S264-G282 WeakPolarHBondContact O-CA 3.49Å
283	C	98.7	Very high	95.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.5	-178.2	-64.2	0	0	0	0	110.8	L238 F263 S264 V328	L238-C283 WeakPolarHBondContact O-CA 3.32Å; F263-C283 WeakPolarHBondContact CA-O 3.19Å; F263-C283 WeakPolarHBondContact CD2-O 3.05Å; S264-C283 PolarHBondContact N-O 3.47Å; S264-C283 PolarHBondContact O-N 2.9Å; S264-C283 VanDerWaalsContact O-N 3.16Å; C283-V328 HydrophobicContact CB-CG1 4.32Å; C283-V328 HydrophobicContact CB-CG2 3.73Å
284	A	98.8	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.2	174.4	0	0	0	0	0	111.3	S237 L238 V241 Y246 F262 F263 F286 N359	S237-A284 WeakPolarHBondContact CA-O 3.02Å; L238-A284 HydrophobicContact CB-CB 4.46Å; L238-A284 PolarHBondContact N-O 3.43Å; L238-A284 PolarHBondContact O-N 2.62Å; V241-A284 HydrophobicContact CG2-CB 4.14Å; Y246-A284 HydrophobicContact CD2-CB 4.08Å; Y246-A284 HydrophobicContact CE2-CB 4.06Å; F262-A284 CarbonylContact O-C 3.44Å; F262-A284 VanDerWaalsContact O-CA 3.25Å; F262-A284 WeakPolarHBondContact O-CA 3.38Å; F263-A284 HydrophobicContact CB-CB 4.3Å; F263-A284 HydrophobicContact CD2-CB 4.14Å; A284-F286 HydrophobicContact CB-CD2 4.33Å; A284-F286 HydrophobicContact CB-CE2 3.6Å; A284-F286 HydrophobicContact CB-CZ 4.09Å; A284-N359 PolarHBondContact O-ND2 2.95Å
285	I	98.9	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.3	167.5	-63.8	170.8	0	0	0	107.5	I235 I236 G261 F262 V328 V330 V357 N359	I235-I285 HydrophobicContact CG2-CG2 4.36Å; I236-I285 CarbonylContact O-C 3.58Å; I236-I285 VanDerWaalsContact O-CA 3.32Å; I236-I285 WeakPolarHBondContact O-CA 3.33Å; G261-I285 CarbonylContact C-O 3.54Å; G261-I285 VanDerWaalsContact CA-O 3.32Å; G261-I285 WeakPolarHBondContact CA-O 3.29Å; F262-I285 PolarHBondContact N-O 2.73Å; F262-I285 PolarHBondContact O-N 3.07Å; I285-V328 HydrophobicContact CD1-CG2 3.86Å; I285-V328 HydrophobicContact CG1-CG2 3.99Å; I285-V330 HydrophobicContact CB-CG2 4.18Å; I285-V330 HydrophobicContact CD1-CG2 4.06Å; I285-V330 HydrophobicContact CG2-CG2 4.33Å; I285-V357 HydrophobicContact CD1-CB 4.44Å; I285-V357 HydrophobicContact CD1-CG1 4.05Å; I285-V357 WeakPolarHBondContact CD1-O 3.44Å; I285-V357 HydrophobicContact CG2-CG1 4.08Å; I285-N359 HydrophobicContact CD1-CB 3.75Å; I285-N359 HydrophobicContact CG1-CB 3.63Å
286	F	98.9	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.3	170.8	-55.1	-93.2	0	0	0	110.1	I235 I236 L238 Y246 F250 L251 L254 Y259 D260 A284	I235-F286 CarbonylContact C-O 3.48Å; I235-F286 WeakPolarHBondContact CA-O 3.4Å; I236-F286 HydrophobicContact CB-CB 4.23Å; I236-F286 HydrophobicContact CB-CD2 4.46Å; I236-F286 HydrophobicContact CD1-CB 4.49Å; I236-F286 PolarHBondContact N-O 2.86Å; I236-F286 PolarHBondContact O-N 2.86Å; L238-F286 HydrophobicContact CD1-CD2 4.45Å; L238-F286 HydrophobicContact CD1-CE2 3.88Å; L238-F286 HydrophobicContact CG-CE2 4.35Å; Y246-F286 HydrophobicContact CD2-CE1 4.33Å; Y246-F286 AromaticContact CD2-CZ 3.74Å; Y246-F286 HydrophobicContact CD2-CZ 3.74Å; Y246-F286 AromaticContact CE2-CE1 3.62Å; Y246-F286 HydrophobicContact CE2-CE1 3.62Å; Y246-F286 HydrophobicContact CE2-CE2 4.34Å; Y246-F286 AromaticContact CE2-CZ 3.4Å; Y246-F286 HydrophobicContact CE2-CZ 3.4Å; F250-F286 HydrophobicContact CB-CZ 3.84Å; L251-F286 HydrophobicContact CB-CE1 4.37Å; L251-F286 HydrophobicContact CD1-CD1 4.43Å; L251-F286 HydrophobicContact CD1-CE1 4.02Å; L254-F286 HydrophobicContact CB-CD1 4.33Å; L254-F286 HydrophobicContact CD1-CB 4.3Å; L254-F286 HydrophobicContact CD1-CD1 3.61Å; L254-F286 HydrophobicContact CD1-CD2 3.75Å; L254-F286 HydrophobicContact CD1-CE1 3.72Å; L254-F286 HydrophobicContact CD1-CE2 3.86Å; L254-F286 HydrophobicContact CD1-CG 3.61Å; L254-F286 HydrophobicContact CD1-CZ 3.84Å; Y259-F286 HydrophobicContact CD1-CB 4.08Å; D260-F286 VanDerWaalsContact O-CA 3.26Å; D260-F286 WeakPolarHBondContact O-CA 3.12Å; A284-F286 HydrophobicContact CB-CD2 4.33Å; A284-F286 HydrophobicContact CB-CE2 3.6Å; A284-F286 HydrophobicContact CB-CZ 4.09Å
287	F	98.7	Very high	96.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.7	179.5	51.1	-88.3	0	0	0	110.3	D234 I235 Y259 D260 T289 F292 A294 V330 L332	D234-F287 WeakPolarHBondContact O-CA 3.43Å; I235-F287 HydrophobicContact CG1-CB 4.49Å; Y259-F287 WeakPolarHBondContact CA-O 3.29Å; D260-F287 HydrophobicContact CB-CE2 3.95Å; D260-F287 HydrophobicContact CB-CZ 3.92Å; D260-F287 PolarHBondContact N-O 3.17Å; D260-F287 PolarHBondContact O-N 3.35Å; F287-T289 PolarHBondContact O-N 3.21Å; F287-F292 HydrophobicContact CB-CB 4.37Å; F287-F292 HydrophobicContact CB-CD2 4.26Å; F287-F292 HydrophobicContact CD2-CB 4.05Å; F287-A294 HydrophobicContact CE1-CB 4.15Å; F287-A294 HydrophobicContact CE2-CB 4.11Å; F287-A294 HydrophobicContact CZ-CB 3.52Å; F287-V330 HydrophobicContact CE1-CG1 4.24Å; F287-L332 HydrophobicContact CB-CD1 4.12Å; F287-L332 HydrophobicContact CB-CD2 4.4Å; F287-L332 HydrophobicContact CD1-CD2 3.76Å; F287-L332 HydrophobicContact CD2-CD2 3.93Å; F287-L332 HydrophobicContact CE1-CD2 4.02Å; F287-L332 HydrophobicContact CE2-CD2 4.18Å; F287-L332 HydrophobicContact CG-CD1 4.33Å; F287-L332 HydrophobicContact CG-CD2 3.73Å; F287-L332 HydrophobicContact CZ-CD2 4.24Å
288	K	98.4	Very high	96.9	Very high	16 Å²	16	35.7 Å²	35.7	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.5	176.8	-70.9	-172.8	-175	162.4	0	111.1	N232 D234 Y259 E290 K291 F292	N232-K288 PolarHBondContact O-NZ 2.98Å; N232-K288 VanDerWaalsContact O-NZ 3.12Å; N232-K288 VanDerWaalsContact OD1-CE 3.29Å; N232-K288 WeakPolarHBondContact OD1-CE 3.38Å; N232-K288 PolarHBondContact OD1-NZ 2.9Å; D234-K288 PolarHBondContact O-N 2.99Å; D234-K288 WeakPolarHBondContact OD1-CD 3.39Å; D234-K288 IonicContact OD1-NZ 2.64Å; D234-K288 PolarHBondContact OD1-NZ 2.84Å; D234-K288 VanDerWaalsContact OD1-NZ 3.08Å; Y259-K288 HydrophobicContact CD1-CG 3.94Å; Y259-K288 HydrophobicContact CD2-CG 4.49Å; Y259-K288 HydrophobicContact CE1-CD 4.5Å; Y259-K288 HydrophobicContact CE1-CG 3.55Å; Y259-K288 HydrophobicContact CE2-CG 4.16Å; Y259-K288 HydrophobicContact CG-CG 4.41Å; Y259-K288 WeakPolarHBondContact OH-CE 3.37Å; K288-E290 HydrophobicContact CB-CG 4.28Å; K288-E290 PolarHBondContact O-N 2.58Å; K288-K291 PolarHBondContact O-N 3.21Å; K288-K291 VanDerWaalsContact O-N 3.09Å; K288-F292 PolarHBondContact O-N 2.74Å
289	T	97.2	Very high	97.1	Very high	57 Å²	57	34.2 Å²	34.2	35%	0.35	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.4	-176.6	57.7	0	0	0	0	113.5	G258 D260 F287 K291 F292 R335	G258-T289 PolarHBondContact O-N 2.83Å; G258-T289 PolarHBondContact O-OG1 3.45Å; D260-T289 HydrophobicContact CB-CG2 3.6Å; F287-T289 PolarHBondContact O-N 3.21Å; T289-K291 VanDerWaalsContact C-N 3.31Å; T289-F292 WeakPolarHBondContact CA-O 3.26Å; T289-R335 VanDerWaalsContact O-CZ 3.32Å; T289-R335 PolarHBondContact O-NE 2.94Å; T289-R335 PolarHBondContact O-NH2 2.82Å
290	E	95.4	Very high	97.3	Very high	131 Å²	131	30.4 Å²	30.4	61%	0.612	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-20	173.8	80.7	-171.8	173	0	0	113	K288 R335	K288-E290 HydrophobicContact CB-CG 4.28Å; K288-E290 PolarHBondContact O-N 2.58Å; E290-R335 WeakPolarHBondContact O-CD 3.46Å
291	K	94.7	Very high	97.3	Very high	47 Å²	47	31.3 Å²	31.3	20%	0.204	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-35.2	-178.9	-70.5	179.5	175.6	-176.7	0	112.6	D234 K288 T289 R335 M338	D234-K291 HydrophobicContact CB-CD 4.02Å; D234-K291 WeakPolarHBondContact OD1-CD 3.34Å; D234-K291 WeakPolarHBondContact OD1-CE 3.31Å; D234-K291 IonicContact OD1-NZ 3.73Å; D234-K291 PolarHBondContact OD1-NZ 2.87Å; D234-K291 IonicContact OD2-NZ 3.4Å; D234-K291 PolarHBondContact OD2-NZ 3.25Å; K288-K291 PolarHBondContact O-N 3.21Å; K288-K291 VanDerWaalsContact O-N 3.09Å; T289-K291 VanDerWaalsContact C-N 3.31Å; K291-R335 WeakPolarHBondContact O-CB 3.07Å; K291-R335 PolarHBondContact O-N 3.29Å; K291-M338 HydrophobicContact CB-CE 4.36Å; K291-M338 HydrophobicContact CB-SD 3.9Å; K291-M338 HydrophobicContact CD-CE 3.66Å; K291-M338 HydrophobicContact CD-SD 4.28Å; K291-M338 HydrophobicContact CG-CE 3.99Å; K291-M338 HydrophobicContact CG-SD 3.94Å
292	F	96.9	Very high	97.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.4	-172.4	-54.8	-76.4	0	0	0	112.2	F189 D234 I235 F287 K288 T289 L332 E333 V334 L355	F189-F292 HydrophobicContact CB-CZ 3.93Å; F189-F292 HydrophobicContact CD2-CZ 4.13Å; F189-F292 HydrophobicContact CG-CZ 4.03Å; D234-F292 HydrophobicContact CB-CE2 4.02Å; I235-F292 HydrophobicContact CD1-CD2 4.49Å; I235-F292 HydrophobicContact CD1-CE1 4.33Å; I235-F292 HydrophobicContact CD1-CE2 3.89Å; I235-F292 HydrophobicContact CD1-CZ 3.81Å; I235-F292 HydrophobicContact CG1-CD2 4.19Å; I235-F292 HydrophobicContact CG1-CE2 3.69Å; I235-F292 HydrophobicContact CG1-CZ 4.13Å; F287-F292 HydrophobicContact CB-CB 4.37Å; F287-F292 HydrophobicContact CB-CD2 4.26Å; F287-F292 HydrophobicContact CD2-CB 4.05Å; K288-F292 PolarHBondContact O-N 2.74Å; T289-F292 WeakPolarHBondContact CA-O 3.26Å; F292-L332 HydrophobicContact CB-CB 4.3Å; F292-L332 HydrophobicContact CB-CD1 4.18Å; F292-L332 HydrophobicContact CB-CD2 4.27Å; F292-L332 HydrophobicContact CB-CG 4.49Å; F292-L332 HydrophobicContact CD1-CB 4.21Å; F292-L332 HydrophobicContact CD1-CD1 4.19Å; F292-L332 HydrophobicContact CG-CD1 4.08Å; F292-E333 WeakPolarHBondContact CA-O 3.47Å; F292-V334 HydrophobicContact CD1-CG2 4.27Å; F292-V334 HydrophobicContact CE1-CG2 4.08Å; F292-L355 HydrophobicContact CE1-CD2 4.11Å
293	S	96.3	Very high	97.1	Very high	40 Å²	40	33 Å²	33	28%	0.28	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.8	166	54.3	0	0	0	0	110.6	V295 L332 E333	S293-V295 PolarHBondContact O-N 2.94Å; S293-L332 WeakPolarHBondContact O-CA 3.49Å; S293-E333 PolarHBondContact N-O 2.75Å; S293-E333 PolarHBondContact O-N 3.5Å
294	A	96.9	Very high	96.8	Very high	38 Å²	38	37 Å²	37	31%	0.314	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.3	177	0	0	0	0	0	111.8	F287 V330 L332	F287-A294 HydrophobicContact CE1-CB 4.15Å; F287-A294 HydrophobicContact CE2-CB 4.11Å; F287-A294 HydrophobicContact CZ-CB 3.52Å; A294-V330 HydrophobicContact CB-CG1 3.94Å; A294-L332 HydrophobicContact CB-CD2 4.24Å
295	V	95.1	Very high	96.5	Very high	48 Å²	48	38.4 Å²	38.4	29%	0.291	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-43.4	179.2	-176.4	0	0	0	0	110.8	S293 L331 E333 L354 F394	S293-V295 PolarHBondContact O-N 2.94Å; V295-L331 HydrophobicContact CB-CD2 4.32Å; V295-L331 HydrophobicContact CB-CG 4.4Å; V295-L331 WeakPolarHBondContact CB-O 3.37Å; V295-L331 HydrophobicContact CG1-CD2 4.32Å; V295-L331 PolarHBondContact N-O 3.06Å; V295-E333 HydrophobicContact CG2-CB 3.62Å; V295-L354 HydrophobicContact CG2-CD2 4.28Å; V295-F394 HydrophobicContact CG1-CE2 3.94Å; V295-F394 HydrophobicContact CG1-CZ 3.49Å; V295-F394 VanDerWaalsContact CG1-CZ 3.49Å
296	Q	96.2	Very high	96.2	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.248	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147	176.7	-60.9	179.8	-5.1	0	0	110.4	H298 V330 L331	Q296-H298 WeakPolarHBondContact CB-NE2 3.1Å; Q296-H298 PolarHBondContact OE1-NE2 3.13Å; Q296-V330 WeakPolarHBondContact O-CA 3.45Å; Q296-L331 HydrophobicContact CB-CB 4.09Å; Q296-L331 HydrophobicContact CG-CD2 4.34Å; Q296-L331 PolarHBondContact N-O 3.39Å; Q296-L331 PolarHBondContact O-N 3.24Å
297	K	97.8	Very high	95.7	Very high	87 Å²	87	43.9 Å²	43.9	38%	0.378	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.5	178.2	-60	177.8	177.9	-167.2	0	107.8	D260 G261 F262 V330	D260-K297 IonicContact OD2-NZ 3.62Å; G261-K297 PolarHBondContact O-NZ 3.35Å; F262-K297 HydrophobicContact CB-CD 3.92Å; F262-K297 HydrophobicContact CB-CG 4.29Å; F262-K297 HydrophobicContact CD1-CB 4.1Å; F262-K297 HydrophobicContact CD2-CB 3.81Å; F262-K297 HydrophobicContact CD2-CD 3.61Å; F262-K297 HydrophobicContact CD2-CG 4.1Å; F262-K297 HydrophobicContact CE1-CB 4.12Å; F262-K297 HydrophobicContact CE2-CB 3.83Å; F262-K297 HydrophobicContact CE2-CD 4.34Å; F262-K297 HydrophobicContact CG-CB 3.93Å; F262-K297 HydrophobicContact CG-CD 3.87Å; F262-K297 HydrophobicContact CG-CG 4.05Å; F262-K297 HydrophobicContact CZ-CB 3.98Å; K297-V330 HydrophobicContact CG-CG1 4.35Å; K297-V330 HydrophobicContact CG-CG2 4.46Å
298	H	98.1	Very high	95.3	Very high	55 Å²	55	47.1 Å²	47.1	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.1	-173.7	-63.2	-82.2	0	0	0	110.7	F262 Q296 V328 A329 I386	F262-H298 WeakPolarHBondContact CE1-O 3.44Å; Q296-H298 WeakPolarHBondContact CB-NE2 3.1Å; Q296-H298 PolarHBondContact OE1-NE2 3.13Å; H298-V328 CarbonylContact O-C 3.52Å; H298-V328 WeakPolarHBondContact O-CA 3.39Å; H298-A329 PolarHBondContact N-O 3.28Å; H298-A329 PolarHBondContact O-N 3.49Å; H298-I386 HydrophobicContact CB-CD1 3.63Å; H298-I386 HydrophobicContact CB-CG1 4.45Å
299	T	98.1	Very high	94.8	Very high	51 Å²	51	47.8 Å²	47.8	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.9	168.5	-59.4	0	0	0	0	108.7	S264 E301	S264-T299 VanDerWaalsContact CB-OG1 3.26Å; S264-T299 WeakPolarHBondContact CB-OG1 3.5Å; S264-T299 VanDerWaalsContact OG-CG2 3.27Å; S264-T299 WeakPolarHBondContact OG-CG2 3.41Å; S264-T299 PolarHBondContact OG-OG1 2.59Å; T299-E301 HydrophobicContact CG2-CG 4.16Å
300	V	97.5	Very high	94.3	Very high	8 Å²	8	46 Å²	46	5%	0.048	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.3	177.4	-173.9	0	0	0	0	108.2	F302 L305 I326 G327 F379 E382	V300-F302 HydrophobicContact CB-CE1 4.39Å; V300-F302 HydrophobicContact CG1-CD1 4.02Å; V300-F302 HydrophobicContact CG1-CE1 3.83Å; V300-L305 HydrophobicContact CG1-CD1 3.5Å; V300-I326 WeakPolarHBondContact O-CA 3.36Å; V300-G327 PolarHBondContact N-O 3.33Å; V300-G327 PolarHBondContact O-N 2.78Å; V300-F379 HydrophobicContact CB-CD2 3.93Å; V300-F379 HydrophobicContact CB-CE2 4.11Å; V300-F379 HydrophobicContact CG1-CD2 4.1Å; V300-F379 HydrophobicContact CG2-CD2 3.94Å; V300-F379 HydrophobicContact CG2-CE2 3.88Å; V300-E382 HydrophobicContact CG1-CB 4.03Å; V300-E382 HydrophobicContact CG1-CG 4.02Å; V300-E382 HydrophobicContact CG2-CB 4Å
301	E	96.1	Very high	93.6	Very high	21 Å²	21	46.6 Å²	46.6	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.1	178	-64.3	-172	-142.9	0	0	110	S267 R270 T299 N303 Q304 L305 I326	S267-E301 WeakPolarHBondContact CB-OE2 3.44Å; S267-E301 VanDerWaalsContact OG-CD 3.25Å; S267-E301 WeakPolarHBondContact OG-CG 3.38Å; S267-E301 PolarHBondContact OG-OE2 3.35Å; R270-E301 IonicContact CZ-OE1 2.78Å; R270-E301 IonicContact NE-OE1 3.84Å; R270-E301 PolarHBondContact NE-OE1 3.03Å; R270-E301 IonicContact NH1-OE1 3.52Å; R270-E301 IonicContact NH2-OE1 3.22Å; R270-E301 PolarHBondContact NH2-OE1 2.79Å; T299-E301 HydrophobicContact CG2-CG 4.16Å; E301-N303 VanDerWaalsContact C-N 3.32Å; E301-N303 PolarHBondContact O-N 2.92Å; E301-Q304 HydrophobicContact CB-CB 4.28Å; E301-Q304 HydrophobicContact CB-CG 4.04Å; E301-Q304 PolarHBondContact O-N 3.22Å; E301-Q304 PolarHBondContact OE1-NE2 3.48Å; E301-Q304 PolarHBondContact OE2-NE2 2.97Å; E301-L305 PolarHBondContact O-N 2.6Å; E301-I326 HydrophobicContact CG-CG2 4.2Å
302	F	95.9	Very high	92.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-32.7	-171.7	-60	-35.5	0	0	0	113.1	V300 L305 A306 N325 A360 M362 Q375 M378 F379	V300-F302 HydrophobicContact CB-CE1 4.39Å; V300-F302 HydrophobicContact CG1-CD1 4.02Å; V300-F302 HydrophobicContact CG1-CE1 3.83Å; F302-L305 PolarHBondContact O-N 2.89Å; F302-A306 VanDerWaalsContact O-CB 3.24Å; F302-A306 WeakPolarHBondContact O-CB 3.41Å; F302-A306 PolarHBondContact O-N 3.15Å; F302-N325 VanDerWaalsContact CD2-C 3.49Å; F302-N325 HydrophobicContact CD2-CB 3.7Å; F302-N325 VanDerWaalsContact CD2-O 3.24Å; F302-N325 WeakPolarHBondContact CD2-O 3.39Å; F302-N325 HydrophobicContact CE2-CB 4.13Å; F302-N325 PolarHBondContact N-O 3.01Å; F302-A360 HydrophobicContact CZ-CB 4.45Å; F302-M362 HydrophobicContact CE2-CE 4.44Å; F302-M362 HydrophobicContact CE2-SD 3.71Å; F302-M362 HydrophobicContact CZ-CE 4.17Å; F302-M362 HydrophobicContact CZ-SD 4.02Å; F302-Q375 HydrophobicContact CB-CG 4.09Å; F302-Q375 HydrophobicContact CD2-CB 3.96Å; F302-Q375 HydrophobicContact CD2-CG 3.75Å; F302-Q375 HydrophobicContact CE2-CB 4.2Å; F302-Q375 HydrophobicContact CE2-CG 4.44Å; F302-Q375 HydrophobicContact CG-CB 4.29Å; F302-Q375 HydrophobicContact CG-CG 4.01Å; F302-M378 HydrophobicContact CB-CE 3.74Å; F302-M378 HydrophobicContact CD1-CB 4.43Å; F302-M378 HydrophobicContact CD1-CE 4.45Å; F302-M378 HydrophobicContact CG-CE 4.3Å; F302-F379 HydrophobicContact CE1-CB 3.65Å; F302-F379 AromaticContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CG 4.05Å; F302-F379 HydrophobicContact CZ-CB 3.96Å; F302-F379 HydrophobicContact CZ-CD2 4.16Å; F302-F379 HydrophobicContact CZ-CG 4.12Å
303	N	93.9	Very high	92.2	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-41.4	175.5	57	-0.3	0	0	0	112.9	S267 E301 A306 M307 M321 K323	S267-N303 WeakPolarHBondContact CB-ND2 3.3Å; E301-N303 VanDerWaalsContact C-N 3.32Å; E301-N303 PolarHBondContact O-N 2.92Å; N303-A306 PolarHBondContact O-N 2.88Å; N303-M307 WeakPolarHBondContact O-CB 3.49Å; N303-M307 PolarHBondContact O-N 2.93Å; N303-M321 WeakPolarHBondContact CB-O 3.35Å; N303-K323 WeakPolarHBondContact CB-O 3.41Å
304	Q	92.8	Very high	91.8	Very high	87 Å²	87	53.7 Å²	53.7	41%	0.407	30%	0.304	S	S	.	.	H	α-helix	trans	-67.9	-40.8	178.8	-63.6	-170.2	22.1	0	0	110.8	E301 M307 A308	E301-Q304 HydrophobicContact CB-CB 4.28Å; E301-Q304 HydrophobicContact CB-CG 4.04Å; E301-Q304 PolarHBondContact O-N 3.22Å; E301-Q304 PolarHBondContact OE1-NE2 3.48Å; E301-Q304 PolarHBondContact OE2-NE2 2.97Å; Q304-M307 PolarHBondContact O-N 3.06Å; Q304-A308 WeakPolarHBondContact O-CB 3.39Å; Q304-A308 PolarHBondContact O-N 3.14Å
305	L	92.6	Very high	91.4	Very high	29 Å²	29	52.6 Å²	52.6	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-43.3	173.9	-69.2	177	0	0	0	112	V300 E301 F302 M307 A308 N309 M378 E382	V300-L305 HydrophobicContact CG1-CD1 3.5Å; E301-L305 PolarHBondContact O-N 2.6Å; F302-L305 PolarHBondContact O-N 2.89Å; L305-M307 VanDerWaalsContact C-N 3.33Å; L305-M307 PolarHBondContact O-N 3.01Å; L305-A308 PolarHBondContact O-N 2.78Å; L305-N309 WeakPolarHBondContact O-CB 3Å; L305-N309 PolarHBondContact O-N 3.39Å; L305-N309 PolarHBondContact O-ND2 3.35Å; L305-M378 HydrophobicContact CB-CG 4.48Å; L305-M378 HydrophobicContact CB-SD 3.76Å; L305-M378 HydrophobicContact CD1-CB 3.99Å; L305-E382 HydrophobicContact CD1-CG 3.57Å; L305-E382 HydrophobicContact CD2-CG 3.92Å; L305-E382 HydrophobicContact CG-CG 4.38Å
306	A	92.3	Very high	91.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-46.1	176	0	0	0	0	0	110.7	F302 N303 A308 N309 S310 M316 V320 M321 M378	F302-A306 VanDerWaalsContact O-CB 3.24Å; F302-A306 WeakPolarHBondContact O-CB 3.41Å; F302-A306 PolarHBondContact O-N 3.15Å; N303-A306 PolarHBondContact O-N 2.88Å; A306-A308 PolarHBondContact O-N 3.17Å; A306-N309 CarbonylContact O-C 3.57Å; A306-N309 PolarHBondContact O-N 3.1Å; A306-S310 WeakPolarHBondContact O-CA 3.19Å; A306-S310 WeakPolarHBondContact O-CB 3.42Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-M316 HydrophobicContact CB-CG 4.03Å; A306-M316 HydrophobicContact CB-SD 3.86Å; A306-M316 WeakPolarHBondContact O-CG 3.25Å; A306-V320 HydrophobicContact CB-CB 4.2Å; A306-V320 HydrophobicContact CB-CG1 3.83Å; A306-M321 HydrophobicContact CB-CB 4.02Å; A306-M378 HydrophobicContact CB-CE 4.5Å; A306-M378 HydrophobicContact CB-SD 4.18Å
307	M	89.8	Confident	90.9	Very high	115 Å²	115	50.9 Å²	50.9	57%	0.567	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-42.1	176.3	-175.7	176.8	64.4	0	0	112.5	N303 Q304 L305 N309 S310 M321	N303-M307 WeakPolarHBondContact O-CB 3.49Å; N303-M307 PolarHBondContact O-N 2.93Å; Q304-M307 PolarHBondContact O-N 3.06Å; L305-M307 VanDerWaalsContact C-N 3.33Å; L305-M307 PolarHBondContact O-N 3.01Å; M307-N309 PolarHBondContact O-N 3.44Å; M307-S310 PolarHBondContact O-OG 3.06Å; M307-S310 VanDerWaalsContact O-OG 3.1Å; M307-M321 HydrophobicContact CB-CG 4.1Å; M307-M321 HydrophobicContact CB-SD 4.05Å; M307-M321 HydrophobicContact CG-SD 4.21Å
308	A	90	Very high	90.6	Very high	69 Å²	69	51.7 Å²	51.7	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-70.2	-21.8	178.4	0	0	0	0	0	113.3	Q304 L305 A306	Q304-A308 WeakPolarHBondContact O-CB 3.39Å; Q304-A308 PolarHBondContact O-N 3.14Å; L305-A308 PolarHBondContact O-N 2.78Å; A306-A308 PolarHBondContact O-N 3.17Å
309	N	87.5	Confident	90.4	Very high	31 Å²	31	51.7 Å²	51.7	17%	0.166	29%	0.292	C	S	.	.	H	α-helix	trans	-116.4	11.3	-174.3	-66.5	-78.4	0	0	0	113.5	L305 A306 M307 E311 S445 K448 F449	L305-N309 WeakPolarHBondContact O-CB 3Å; L305-N309 PolarHBondContact O-N 3.39Å; L305-N309 PolarHBondContact O-ND2 3.35Å; A306-N309 CarbonylContact O-C 3.57Å; A306-N309 PolarHBondContact O-N 3.1Å; M307-N309 PolarHBondContact O-N 3.44Å; N309-E311 VanDerWaalsContact C-N 3.31Å; N309-E311 PolarHBondContact O-N 2.83Å; N309-S445 WeakPolarHBondContact O-CB 3.37Å; N309-K448 HydrophobicContact CB-CD 4.12Å; N309-K448 WeakPolarHBondContact OD1-CD 3.44Å; N309-F449 HydrophobicContact CB-CE1 4.01Å; N309-F449 HydrophobicContact CB-CE2 4.38Å; N309-F449 HydrophobicContact CB-CZ 3.5Å; N309-F449 VanDerWaalsContact CB-CZ 3.5Å
310	S	85.8	Confident	90.1	Very high	18 Å²	18	49.3 Å²	49.3	13%	0.126	28%	0.277	C	S	.	.			trans	-81.5	-1.6	-174.3	60.4	0	0	0	0	115.5	A306 M307 G312 S313 L317	A306-S310 WeakPolarHBondContact O-CA 3.19Å; A306-S310 WeakPolarHBondContact O-CB 3.42Å; A306-S310 PolarHBondContact O-N 3.35Å; M307-S310 PolarHBondContact O-OG 3.06Å; M307-S310 VanDerWaalsContact O-OG 3.1Å; S310-G312 PolarHBondContact O-N 3.06Å; S310-G312 VanDerWaalsContact O-N 3.08Å; S310-S313 PolarHBondContact O-N 3.37Å; S310-L317 VanDerWaalsContact CB-CD2 3.48Å; S310-L317 VanDerWaalsContact OG-CD2 3.28Å; S310-L317 WeakPolarHBondContact OG-CD2 3.29Å
311	E	81.6	Confident	89.9	Confident	145 Å²	145	51.9 Å²	51.9	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	119.2	178.6	-68	174.8	158.4	0	0	110.8	N309 S445 K448	N309-E311 VanDerWaalsContact C-N 3.31Å; N309-E311 PolarHBondContact O-N 2.83Å; E311-S445 PolarHBondContact O-OG 3.25Å; E311-K448 IonicContact OE2-NZ 3.03Å; E311-K448 PolarHBondContact OE2-NZ 3.29Å
312	G	77.2	Confident	89.8	Confident	82 Å²	82	54.8 Å²	54.8	85%	0.845	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-0.2	178.4	0	0	0	0	0	116.4	S310	S310-G312 PolarHBondContact O-N 3.06Å; S310-G312 VanDerWaalsContact O-N 3.08Å
313	S	85.9	Confident	89.7	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.035	32%	0.315	C	S	.	.			trans	-127.3	103.2	-179.3	-172.9	0	0	0	0	113	S310 A315 M316 L317 R441 S445	S310-S313 PolarHBondContact O-N 3.37Å; S313-A315 PolarHBondContact O-N 3.1Å; S313-M316 WeakPolarHBondContact O-CB 3.39Å; S313-M316 PolarHBondContact O-N 2.93Å; S313-M316 PolarHBondContact OG-N 3.04Å; S313-L317 PolarHBondContact O-N 3.45Å; S313-R441 PolarHBondContact OG-O 3.12Å; S313-S445 WeakPolarHBondContact CB-OG 3.24Å
314	E	87.4	Confident	89.8	Confident	151 Å²	151	56.6 Å²	56.6	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-33.6	171.5	-66	-175.2	174.7	0	0	112	M316 L317 N318	E314-M316 VanDerWaalsContact C-N 3.31Å; E314-M316 PolarHBondContact O-N 3.48Å; E314-L317 PolarHBondContact O-N 3.18Å; E314-N318 WeakPolarHBondContact O-CB 3.12Å; E314-N318 VanDerWaalsContact O-CG 3.26Å; E314-N318 PolarHBondContact O-N 2.78Å; E314-N318 PolarHBondContact O-ND2 3.04Å
315	A	88.9	Confident	90	Very high	15 Å²	15	52.9 Å²	52.9	12%	0.124	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-38.9	178	0	0	0	0	0	111.5	S313 L317 R319 L440 Y442	S313-A315 PolarHBondContact O-N 3.1Å; A315-L317 PolarHBondContact O-N 3.33Å; A315-R319 VanDerWaalsContact O-CB 3.28Å; A315-R319 WeakPolarHBondContact O-CB 3.43Å; A315-R319 PolarHBondContact O-N 3.19Å; A315-L440 HydrophobicContact CB-CB 4.32Å; A315-L440 HydrophobicContact CB-CD1 4.47Å; A315-Y442 HydrophobicContact CB-CD1 4.1Å; A315-Y442 HydrophobicContact CB-CE1 3.47Å; A315-Y442 VanDerWaalsContact CB-CE1 3.47Å; A315-Y442 HydrophobicContact CB-CE2 4.1Å; A315-Y442 VanDerWaalsContact CB-CZ 3.47Å
316	M	90.1	Very high	90.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-60.5	-45.1	174	-168.7	69.3	70.3	0	0	111.8	A306 S313 E314 V320 M321 V374 Y442 L446 F449	A306-M316 HydrophobicContact CB-CG 4.03Å; A306-M316 HydrophobicContact CB-SD 3.86Å; A306-M316 WeakPolarHBondContact O-CG 3.25Å; S313-M316 WeakPolarHBondContact O-CB 3.39Å; S313-M316 PolarHBondContact O-N 2.93Å; S313-M316 PolarHBondContact OG-N 3.04Å; E314-M316 VanDerWaalsContact C-N 3.31Å; E314-M316 PolarHBondContact O-N 3.48Å; M316-V320 WeakPolarHBondContact O-CB 2.92Å; M316-V320 PolarHBondContact O-N 2.78Å; M316-V320 HydrophobicContact SD-CB 3.79Å; M316-V320 HydrophobicContact SD-CG1 3.94Å; M316-V320 HydrophobicContact SD-CG2 3.89Å; M316-M321 WeakPolarHBondContact O-CB 3.2Å; M316-M321 PolarHBondContact O-N 3.15Å; M316-V374 HydrophobicContact CE-CG1 3.8Å; M316-V374 HydrophobicContact SD-CG1 3.88Å; M316-Y442 HydrophobicContact CE-CD1 4.21Å; M316-L446 HydrophobicContact CE-CD2 4.17Å; M316-F449 HydrophobicContact CE-CE2 3.97Å
317	L	89.1	Confident	90.5	Very high	64 Å²	64	51.6 Å²	51.6	34%	0.335	29%	0.293	S	S	.	.	I	π-helix	trans	-68.5	-46.1	178.9	-69.9	174.4	0	0	0	112.5	S310 S313 E314 A315 M321	S310-L317 VanDerWaalsContact CB-CD2 3.48Å; S310-L317 VanDerWaalsContact OG-CD2 3.28Å; S310-L317 WeakPolarHBondContact OG-CD2 3.29Å; S313-L317 PolarHBondContact O-N 3.45Å; E314-L317 PolarHBondContact O-N 3.18Å; A315-L317 PolarHBondContact O-N 3.33Å; L317-M321 HydrophobicContact CD2-SD 3.74Å; L317-M321 WeakPolarHBondContact O-CB 3.47Å
318	N	91.3	Very high	91	Very high	105 Å²	105	46.1 Å²	46.1	56%	0.561	27%	0.266	S	S	*	.	I	π-helix	trans	-81.6	-36.9	-169.9	-65.3	-23	0	0	0	112.1	E314 T322	E314-N318 WeakPolarHBondContact O-CB 3.12Å; E314-N318 VanDerWaalsContact O-CG 3.26Å; E314-N318 PolarHBondContact O-N 2.78Å; E314-N318 PolarHBondContact O-ND2 3.04Å; N318-T322 WeakPolarHBondContact O-CG2 3.3Å; N318-T322 PolarHBondContact O-OG1 3.06Å
319	R	93.6	Very high	91.4	Very high	55 Å²	55	42.9 Å²	42.9	21%	0.208	24%	0.239	C	C	.	.	I	π-helix	trans	-103.7	-43.7	-171.3	-58.7	177.9	59.3	75.9	-0.7	113.1	A315 T322 K323 E367 Y368 D370 V371	A315-R319 VanDerWaalsContact O-CB 3.28Å; A315-R319 WeakPolarHBondContact O-CB 3.43Å; A315-R319 PolarHBondContact O-N 3.19Å; R319-T322 PolarHBondContact O-OG1 2.88Å; R319-K323 WeakPolarHBondContact O-CG 3.45Å; R319-K323 PolarHBondContact O-NZ 3.2Å; R319-E367 PolarHBondContact NH2-O 2.91Å; R319-Y368 HydrophobicContact CB-CE1 4.47Å; R319-Y368 VanDerWaalsContact CZ-CE1 3.46Å; R319-Y368 VanDerWaalsContact NH1-CE1 3.32Å; R319-D370 IonicContact CZ-OD1 3.75Å; R319-D370 IonicContact CZ-OD2 2.74Å; R319-D370 IonicContact NE-OD1 2.78Å; R319-D370 IonicContact NE-OD2 3.98Å; R319-D370 PolarHBondContact NE-OD2 2.95Å; R319-D370 IonicContact NH2-OD1 3.71Å; R319-D370 PolarHBondContact NH2-OD1 2.88Å; R319-D370 IonicContact NH2-OD2 3.62Å; R319-V371 HydrophobicContact CB-CG2 3.93Å
320	V	93.3	Very high	91.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-89.4	-51.2	-173.1	-171.8	0	0	0	0	111.8	A306 M316 T322 K323 V371 V374 M378 Y442	A306-V320 HydrophobicContact CB-CB 4.2Å; A306-V320 HydrophobicContact CB-CG1 3.83Å; M316-V320 WeakPolarHBondContact O-CB 2.92Å; M316-V320 PolarHBondContact O-N 2.78Å; M316-V320 HydrophobicContact SD-CB 3.79Å; M316-V320 HydrophobicContact SD-CG1 3.94Å; M316-V320 HydrophobicContact SD-CG2 3.89Å; V320-T322 PolarHBondContact O-N 2.85Å; V320-K323 PolarHBondContact O-N 3.21Å; V320-K323 VanDerWaalsContact O-N 3.08Å; V320-V371 HydrophobicContact CG2-CG2 4.09Å; V320-V374 HydrophobicContact CG1-CG1 4.08Å; V320-V374 HydrophobicContact CG2-CB 4.28Å; V320-V374 HydrophobicContact CG2-CG1 4.14Å; V320-M378 HydrophobicContact CG1-CE 3.56Å; V320-Y442 HydrophobicContact CG2-CE1 4.05Å
321	M	93	Very high	92.5	Very high	62 Å²	62	40.5 Å²	40.5	31%	0.305	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.6	-177.6	-174.7	-162	75.2	0	0	112.8	N303 A306 M307 M316 L317 K323	N303-M321 WeakPolarHBondContact CB-O 3.35Å; A306-M321 HydrophobicContact CB-CB 4.02Å; M307-M321 HydrophobicContact CB-CG 4.1Å; M307-M321 HydrophobicContact CB-SD 4.05Å; M307-M321 HydrophobicContact CG-SD 4.21Å; M316-M321 WeakPolarHBondContact O-CB 3.2Å; M316-M321 PolarHBondContact O-N 3.15Å; L317-M321 HydrophobicContact CD2-SD 3.74Å; L317-M321 WeakPolarHBondContact O-CB 3.47Å; M321-K323 PolarHBondContact O-N 3.41Å
322	T	93.1	Very high	93.2	Very high	83 Å²	83	33.6 Å²	33.6	51%	0.509	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.1	179.1	56.4	0	0	0	0	113.9	N318 R319 V320	N318-T322 WeakPolarHBondContact O-CG2 3.3Å; N318-T322 PolarHBondContact O-OG1 3.06Å; R319-T322 PolarHBondContact O-OG1 2.88Å; V320-T322 PolarHBondContact O-N 2.85Å
323	K	95.5	Very high	94	Very high	31 Å²	31	31.4 Å²	31.4	14%	0.135	16%	0.16	C	C	.	.			trans	-100.1	133.6	179.1	-53.6	-54.5	-178.2	-69.3	0	111	N303 R319 V320 M321 H363 V371	N303-K323 WeakPolarHBondContact CB-O 3.41Å; R319-K323 WeakPolarHBondContact O-CG 3.45Å; R319-K323 PolarHBondContact O-NZ 3.2Å; V320-K323 PolarHBondContact O-N 3.21Å; V320-K323 VanDerWaalsContact O-N 3.08Å; M321-K323 PolarHBondContact O-N 3.41Å; K323-H363 VanDerWaalsContact CE-CE1 3.49Å; K323-H363 WeakPolarHBondContact CE-CE1 3.37Å; K323-H363 WeakPolarHBondContact CE-NE2 3.37Å; K323-V371 HydrophobicContact CG-CG1 4.05Å
324	D	94.4	Very high	94.3	Very high	42 Å²	42	31.3 Å²	31.3	23%	0.225	16%	0.16	C	C	.	.			trans	-99.2	16	-172.5	70.1	-24.6	0	0	0	113.9	K266 S267 R268	K266-D324 WeakPolarHBondContact CB-O 3.21Å; K266-D324 WeakPolarHBondContact CG-O 3.2Å; S267-D324 PolarHBondContact N-O 3.42Å; R268-D324 HydrophobicContact CB-CB 4.46Å; R268-D324 WeakPolarHBondContact CB-OD2 3.41Å; R268-D324 WeakPolarHBondContact CD-OD2 3.2Å; R268-D324 WeakPolarHBondContact CG-OD2 3.38Å; R268-D324 IonicContact CZ-OD2 2.66Å; R268-D324 IonicContact NE-OD2 3.07Å; R268-D324 IonicContact NH1-OD1 2.72Å; R268-D324 IonicContact NH1-OD2 3.99Å; R268-D324 PolarHBondContact NH1-OD2 2.83Å
325	N	97.6	Very high	94.4	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.048	14%	0.144	C	C	.	.			trans	-59.4	151.9	174.4	-64.7	95.6	0	0	0	111.5	F302 H361 M362 H363 Q375	F302-N325 VanDerWaalsContact CD2-C 3.49Å; F302-N325 HydrophobicContact CD2-CB 3.7Å; F302-N325 VanDerWaalsContact CD2-O 3.24Å; F302-N325 WeakPolarHBondContact CD2-O 3.39Å; F302-N325 HydrophobicContact CE2-CB 4.13Å; F302-N325 PolarHBondContact N-O 3.01Å; N325-H361 WeakPolarHBondContact CB-O 3.31Å; N325-H361 PolarHBondContact ND2-O 3.26Å; N325-M362 PolarHBondContact ND2-O 2.9Å; N325-H363 PolarHBondContact ND2-N 2.72Å; N325-Q375 PolarHBondContact OD1-NE2 2.79Å
326	I	97.9	Very high	93.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163.8	-177.1	61.1	156.4	0	0	0	111.6	S264 P265 K266 V300 E301 H361	S264-I326 WeakPolarHBondContact O-CD1 3.47Å; P265-I326 WeakPolarHBondContact O-CD1 3.46Å; K266-I326 HydrophobicContact CG-CG1 4.1Å; V300-I326 WeakPolarHBondContact O-CA 3.36Å; E301-I326 HydrophobicContact CG-CG2 4.2Å; I326-H361 PolarHBondContact O-N 3.35Å
327	G	98.2	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.4	159.9	0	0	0	0	0	111.2	V300 N359	V300-G327 PolarHBondContact N-O 3.33Å; V300-G327 PolarHBondContact O-N 2.78Å; G327-N359 CarbonylContact C-O 3.52Å; G327-N359 VanDerWaalsContact CA-O 3.28Å; G327-N359 WeakPolarHBondContact CA-O 3.31Å
328	V	98.6	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.6	172.1	-64.2	0	0	0	0	109.4	F262 C283 I285 H298 A358 N359	F262-V328 HydrophobicContact CD1-CB 4.1Å; F262-V328 HydrophobicContact CD1-CG1 4.45Å; F262-V328 HydrophobicContact CE1-CB 3.83Å; F262-V328 HydrophobicContact CE1-CG1 3.92Å; C283-V328 HydrophobicContact CB-CG1 4.32Å; C283-V328 HydrophobicContact CB-CG2 3.73Å; I285-V328 HydrophobicContact CD1-CG2 3.86Å; I285-V328 HydrophobicContact CG1-CG2 3.99Å; H298-V328 CarbonylContact O-C 3.52Å; H298-V328 WeakPolarHBondContact O-CA 3.39Å; V328-A358 CarbonylContact O-C 3.42Å; V328-A358 WeakPolarHBondContact O-CA 3.47Å; V328-N359 HydrophobicContact CG2-CB 3.86Å; V328-N359 PolarHBondContact N-O 3.44Å; V328-N359 PolarHBondContact O-N 3.38Å
329	A	98.6	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.7	175.3	0	0	0	0	0	110.6	H298 L356 V357 A358 I386	H298-A329 PolarHBondContact N-O 3.28Å; H298-A329 PolarHBondContact O-N 3.49Å; A329-L356 HydrophobicContact CB-CD1 4.15Å; A329-V357 CarbonylContact C-O 3.33Å; A329-V357 VanDerWaalsContact CA-O 3.24Å; A329-V357 WeakPolarHBondContact CA-O 3.47Å; A329-A358 HydrophobicContact CB-CB 4.4Å; A329-I386 HydrophobicContact CB-CD1 4.15Å
330	V	98.6	Very high	90.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.8	177.3	-174.9	0	0	0	0	108.6	F262 I285 F287 A294 Q296 K297 L332 V357	F262-V330 HydrophobicContact CB-CG2 3.77Å; F262-V330 HydrophobicContact CD1-CG2 3.72Å; F262-V330 HydrophobicContact CG-CG2 4.1Å; I285-V330 HydrophobicContact CB-CG2 4.18Å; I285-V330 HydrophobicContact CD1-CG2 4.06Å; I285-V330 HydrophobicContact CG2-CG2 4.33Å; F287-V330 HydrophobicContact CE1-CG1 4.24Å; A294-V330 HydrophobicContact CB-CG1 3.94Å; Q296-V330 WeakPolarHBondContact O-CA 3.45Å; K297-V330 HydrophobicContact CG-CG1 4.35Å; K297-V330 HydrophobicContact CG-CG2 4.46Å; V330-L332 HydrophobicContact CB-CD2 4.47Å; V330-L332 HydrophobicContact CG1-CD2 3.53Å; V330-L332 HydrophobicContact CG1-CG 4.14Å; V330-V357 PolarHBondContact N-O 3.24Å; V330-V357 PolarHBondContact O-N 3.12Å
331	L	97.8	Very high	88.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.2	170.7	-174.8	68.3	0	0	0	108.2	V295 Q296 L354 L356 A390 F394 I405	V295-L331 HydrophobicContact CB-CD2 4.32Å; V295-L331 HydrophobicContact CB-CG 4.4Å; V295-L331 WeakPolarHBondContact CB-O 3.37Å; V295-L331 HydrophobicContact CG1-CD2 4.32Å; V295-L331 PolarHBondContact N-O 3.06Å; Q296-L331 HydrophobicContact CB-CB 4.09Å; Q296-L331 HydrophobicContact CG-CD2 4.34Å; Q296-L331 PolarHBondContact N-O 3.39Å; Q296-L331 PolarHBondContact O-N 3.24Å; L331-L354 HydrophobicContact CD1-CB 4.18Å; L331-L354 HydrophobicContact CD1-CD1 4.44Å; L331-L354 HydrophobicContact CD2-CD1 4.33Å; L331-L356 HydrophobicContact CB-CD1 4.22Å; L331-L356 HydrophobicContact CD1-CB 4.34Å; L331-L356 HydrophobicContact CD1-CD1 4.29Å; L331-A390 HydrophobicContact CD2-CB 3.65Å; L331-F394 HydrophobicContact CD2-CE2 4.36Å; L331-I405 HydrophobicContact CD1-CD1 4.24Å; L331-I405 HydrophobicContact CD1-CG2 4.07Å
332	L	96.9	Very high	87.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.7	-179.6	-60.1	176.7	0	0	0	110.1	I235 F287 F292 S293 A294 V330 L354 L355 V357	I235-L332 HydrophobicContact CD1-CD1 4.02Å; F287-L332 HydrophobicContact CB-CD1 4.12Å; F287-L332 HydrophobicContact CB-CD2 4.4Å; F287-L332 HydrophobicContact CD1-CD2 3.76Å; F287-L332 HydrophobicContact CD2-CD2 3.93Å; F287-L332 HydrophobicContact CE1-CD2 4.02Å; F287-L332 HydrophobicContact CE2-CD2 4.18Å; F287-L332 HydrophobicContact CG-CD1 4.33Å; F287-L332 HydrophobicContact CG-CD2 3.73Å; F287-L332 HydrophobicContact CZ-CD2 4.24Å; F292-L332 HydrophobicContact CB-CB 4.3Å; F292-L332 HydrophobicContact CB-CD1 4.18Å; F292-L332 HydrophobicContact CB-CD2 4.27Å; F292-L332 HydrophobicContact CB-CG 4.49Å; F292-L332 HydrophobicContact CD1-CB 4.21Å; F292-L332 HydrophobicContact CD1-CD1 4.19Å; F292-L332 HydrophobicContact CG-CD1 4.08Å; S293-L332 WeakPolarHBondContact O-CA 3.49Å; A294-L332 HydrophobicContact CB-CD2 4.24Å; V330-L332 HydrophobicContact CB-CD2 4.47Å; V330-L332 HydrophobicContact CG1-CD2 3.53Å; V330-L332 HydrophobicContact CG1-CG 4.14Å; L332-L354 CarbonylContact O-C 3.55Å; L332-L354 VanDerWaalsContact O-CA 3.29Å; L332-L354 WeakPolarHBondContact O-CA 3.14Å; L332-L355 PolarHBondContact N-O 3.01Å; L332-L355 PolarHBondContact O-N 3.24Å; L332-V357 HydrophobicContact CD1-CG2 3.68Å; L332-V357 HydrophobicContact CG-CG2 4.45Å
333	E	94.2	Very high	85.6	Confident	36 Å²	36	38 Å²	38	17%	0.168	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.6	163.9	173.3	171.9	-168	0	0	108.2	F292 S293 V295 K352 L354	F292-E333 WeakPolarHBondContact CA-O 3.47Å; S293-E333 PolarHBondContact N-O 2.75Å; S293-E333 PolarHBondContact O-N 3.5Å; V295-E333 HydrophobicContact CG2-CB 3.62Å; E333-K352 VanDerWaalsContact CD-NZ 3.33Å; E333-K352 VanDerWaalsContact OE1-CD 3.3Å; E333-K352 WeakPolarHBondContact OE1-CD 3.4Å; E333-K352 VanDerWaalsContact OE1-CE 3.26Å; E333-K352 WeakPolarHBondContact OE1-CE 3.27Å; E333-K352 WeakPolarHBondContact OE1-CG 3.34Å; E333-K352 IonicContact OE1-NZ 3.28Å; E333-K352 PolarHBondContact OE1-NZ 3.15Å; E333-K352 VanDerWaalsContact OE1-NZ 3.07Å; E333-K352 IonicContact OE2-NZ 3.75Å; E333-K352 PolarHBondContact OE2-NZ 2.72Å; E333-L354 HydrophobicContact CB-CD2 4.01Å
334	V	91.7	Very high	83.7	Confident	3 Å²	3	40 Å²	40	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.7	175.9	-175.3	0	0	0	0	108.2	T187 F292 M338 M339 Q353 L355 L540	T187-V334 HydrophobicContact CG2-CG1 4.14Å; F292-V334 HydrophobicContact CD1-CG2 4.27Å; F292-V334 HydrophobicContact CE1-CG2 4.08Å; V334-M338 HydrophobicContact CG1-SD 4Å; V334-M339 HydrophobicContact CG1-CG 4.2Å; V334-Q353 HydrophobicContact CB-CB 4.22Å; V334-Q353 HydrophobicContact CB-CG 4.16Å; V334-Q353 HydrophobicContact CG2-CB 4.45Å; V334-Q353 HydrophobicContact CG2-CG 3.94Å; V334-Q353 PolarHBondContact N-O 3.2Å; V334-L355 HydrophobicContact CG2-CB 4.44Å; V334-L540 HydrophobicContact CG2-CD2 4.23Å
335	R	89.1	Confident	82	Confident	99 Å²	99	45.8 Å²	45.8	37%	0.374	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-65.8	142.9	-178.7	-79.1	-165.8	-175.1	-110.8	6.1	112	T289 E290 K291 E337 M338	T289-R335 VanDerWaalsContact O-CZ 3.32Å; T289-R335 PolarHBondContact O-NE 2.94Å; T289-R335 PolarHBondContact O-NH2 2.82Å; E290-R335 WeakPolarHBondContact O-CD 3.46Å; K291-R335 WeakPolarHBondContact O-CB 3.07Å; K291-R335 PolarHBondContact O-N 3.29Å; R335-E337 VanDerWaalsContact C-N 3.32Å; R335-E337 WeakPolarHBondContact CB-OE2 3.42Å; R335-E337 PolarHBondContact O-N 3.44Å; R335-M338 VanDerWaalsContact O-CB 3.31Å; R335-M338 WeakPolarHBondContact O-CB 3.35Å; R335-M338 PolarHBondContact O-N 3.31Å
336	K	78.1	Confident	79.9	Confident	108 Å²	108	48.9 Å²	48.9	47%	0.47	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-37.3	-174.7	-68.9	-173.2	177	-172.1	0	112.4	M338 M339 E340	K336-M338 PolarHBondContact O-N 3.2Å; K336-M339 HydrophobicContact CB-CE 4.38Å; K336-M339 HydrophobicContact CG-CE 4Å; K336-M339 WeakPolarHBondContact O-CA 3.34Å; K336-M339 WeakPolarHBondContact O-CB 3.47Å; K336-M339 PolarHBondContact O-N 3.38Å; K336-E340 WeakPolarHBondContact O-CG 3.34Å; K336-E340 PolarHBondContact O-N 3.12Å
337	E	76.6	Confident	78	Confident	109 Å²	109	50.3 Å²	50.3	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-55.4	-37.9	178.4	-59.3	83.9	172.4	0	0	110.8	R335 M341	R335-E337 VanDerWaalsContact C-N 3.32Å; R335-E337 WeakPolarHBondContact CB-OE2 3.42Å; R335-E337 PolarHBondContact O-N 3.44Å; E337-M341 WeakPolarHBondContact O-CB 3.4Å; E337-M341 VanDerWaalsContact O-CG 3.32Å; E337-M341 WeakPolarHBondContact O-CG 3.48Å; E337-M341 PolarHBondContact O-N 3.44Å; E337-M341 VanDerWaalsContact O-N 3.07Å
338	M	75.4	Confident	75.5	Confident	28 Å²	28	58.4 Å²	58.4	14%	0.138	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-36.3	176.8	-161.3	-174.9	-174.1	0	0	112.7	T187 L188 F189 K291 V334 R335 K336 S342	T187-M338 HydrophobicContact CG2-CE 3.37Å; T187-M338 HydrophobicContact CG2-CG 3.64Å; T187-M338 HydrophobicContact CG2-SD 3.29Å; T187-M338 WeakPolarHBondContact CG2-SD 3.42Å; L188-M338 WeakPolarHBondContact O-CE 3.32Å; F189-M338 HydrophobicContact CB-CE 4.19Å; K291-M338 HydrophobicContact CB-CE 4.36Å; K291-M338 HydrophobicContact CB-SD 3.9Å; K291-M338 HydrophobicContact CD-CE 3.66Å; K291-M338 HydrophobicContact CD-SD 4.28Å; K291-M338 HydrophobicContact CG-CE 3.99Å; K291-M338 HydrophobicContact CG-SD 3.94Å; V334-M338 HydrophobicContact CG1-SD 4Å; R335-M338 VanDerWaalsContact O-CB 3.31Å; R335-M338 WeakPolarHBondContact O-CB 3.35Å; R335-M338 PolarHBondContact O-N 3.31Å; K336-M338 PolarHBondContact O-N 3.2Å; M338-S342 PolarHBondContact O-OG 3.28Å
339	M	70.1	Confident	73.2	Confident	4 Å²	4	62 Å²	62	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-79.2	-31.9	178.8	-59.7	-172.3	-77.9	0	0	112.6	V334 K336 S342 S343 L347 L350 Q353 L542	V334-M339 HydrophobicContact CG1-CG 4.2Å; K336-M339 HydrophobicContact CB-CE 4.38Å; K336-M339 HydrophobicContact CG-CE 4Å; K336-M339 WeakPolarHBondContact O-CA 3.34Å; K336-M339 WeakPolarHBondContact O-CB 3.47Å; K336-M339 PolarHBondContact O-N 3.38Å; M339-S342 PolarHBondContact O-OG 3.4Å; M339-S343 WeakPolarHBondContact O-CB 3.24Å; M339-S343 PolarHBondContact O-N 3.21Å; M339-S343 PolarHBondContact O-OG 2.83Å; M339-L347 HydrophobicContact CB-CD1 3.8Å; M339-L347 WeakPolarHBondContact O-CD1 3.35Å; M339-L350 HydrophobicContact CE-CD2 4.25Å; M339-L350 HydrophobicContact SD-CD2 3.87Å; M339-Q353 HydrophobicContact CE-CB 4.19Å; M339-Q353 HydrophobicContact SD-CB 3.64Å; M339-Q353 HydrophobicContact SD-CG 4.28Å; M339-L542 HydrophobicContact CB-CD1 3.96Å; M339-L542 HydrophobicContact CG-CD1 3.93Å; M339-L542 HydrophobicContact CG-CD2 4.41Å; M339-L542 HydrophobicContact SD-CD1 4.12Å; M339-L542 HydrophobicContact SD-CD2 3.92Å
340	E	65.5	Low	71.2	Confident	68 Å²	68	63.3 Å²	63.3	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-74.8	-37.6	178.4	-71	-176.4	156.6	0	0	111.8	K336 S342 S343 G344 L347	K336-E340 WeakPolarHBondContact O-CG 3.34Å; K336-E340 PolarHBondContact O-N 3.12Å; E340-S342 VanDerWaalsContact C-N 3.28Å; E340-S342 PolarHBondContact O-N 3.33Å; E340-S343 PolarHBondContact O-N 2.77Å; E340-G344 PolarHBondContact O-N 3.37Å; E340-L347 HydrophobicContact CG-CB 4.2Å; E340-L347 HydrophobicContact CG-CD1 4.09Å; E340-L347 PolarHBondContact OE1-N 2.89Å
341	M	63.1	Low	69.6	Low	168 Å²	168	68.4 Å²	68.4	83%	0.828	38%	0.376	S	S	*	.	H	α-helix	trans	-60.1	-35.5	175.1	-81.5	-178.6	52.4	0	0	113.3	E337	E337-M341 WeakPolarHBondContact O-CB 3.4Å; E337-M341 VanDerWaalsContact O-CG 3.32Å; E337-M341 WeakPolarHBondContact O-CG 3.48Å; E337-M341 PolarHBondContact O-N 3.44Å; E337-M341 VanDerWaalsContact O-N 3.07Å
342	S	59.6	Low	68.6	Low	60 Å²	60	72.9 Å²	72.9	42%	0.42	40%	0.396	S	S	.	.	H	α-helix	trans	-87.2	-27.6	-178.7	52.7	0	0	0	0	113.9	A186 M338 M339 E340	A186-S342 WeakPolarHBondContact O-CB 3.39Å; A186-S342 PolarHBondContact O-OG 2.9Å; M338-S342 PolarHBondContact O-OG 3.28Å; M339-S342 PolarHBondContact O-OG 3.4Å; E340-S342 VanDerWaalsContact C-N 3.28Å; E340-S342 PolarHBondContact O-N 3.33Å
343	S	59.2	Low	68.1	Low	32 Å²	32	73.9 Å²	73.9	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-90.5	-16.7	178.8	61.3	0	0	0	0	114.2	M339 E340 K345 L347	M339-S343 WeakPolarHBondContact O-CB 3.24Å; M339-S343 PolarHBondContact O-N 3.21Å; M339-S343 PolarHBondContact O-OG 2.83Å; E340-S343 PolarHBondContact O-N 2.77Å; S343-K345 PolarHBondContact O-N 2.86Å; S343-K345 VanDerWaalsContact O-N 3.08Å; S343-K345 PolarHBondContact OG-O 2.76Å; S343-L347 WeakPolarHBondContact OG-CD1 3.24Å
344	G	56.2	Low	68	Low	72 Å²	72	72.3 Å²	72.3	74%	0.742	39%	0.393	S	S	*	.	S	Bend	trans	63	11.9	-179.5	0	0	0	0	0	114.2	E340	E340-G344 PolarHBondContact O-N 3.37Å
345	K	59.6	Low	68.2	Low	164 Å²	164	72.2 Å²	72.2	71%	0.713	39%	0.392	S	S	*	.	S	Bend	trans	-131.4	144.1	-178.4	-68.1	178.7	-178.6	174.4	0	109	S343 L347	S343-K345 PolarHBondContact O-N 2.86Å; S343-K345 VanDerWaalsContact O-N 3.08Å; S343-K345 PolarHBondContact OG-O 2.76Å; K345-L347 PolarHBondContact O-N 2.89Å
346	S	53.4	Low	68.6	Low	74 Å²	74	67.5 Å²	67.5	52%	0.517	38%	0.375	S	S	.	.			trans	-65	120	170	179.8	0	0	0	0	109.3	H348	S346-H348 PolarHBondContact O-N 2.9Å; S346-H348 PolarHBondContact OG-CD2 2.8Å; S346-H348 PolarHBondContact OG-NE2 2.86Å
347	L	57.1	Low	69.6	Low	31 Å²	31	62.3 Å²	62.3	16%	0.162	35%	0.352	C	S	.	.			trans	-86	59.4	-179.9	-83.8	148.6	0	0	0	109.5	M339 E340 S343 K345 G349 L350 V545	M339-L347 HydrophobicContact CB-CD1 3.8Å; M339-L347 WeakPolarHBondContact O-CD1 3.35Å; E340-L347 HydrophobicContact CG-CB 4.2Å; E340-L347 HydrophobicContact CG-CD1 4.09Å; E340-L347 PolarHBondContact OE1-N 2.89Å; S343-L347 WeakPolarHBondContact OG-CD1 3.24Å; K345-L347 PolarHBondContact O-N 2.89Å; L347-G349 PolarHBondContact O-N 2.82Å; L347-G349 VanDerWaalsContact O-N 3.09Å; L347-L350 HydrophobicContact CB-CB 4.33Å; L347-L350 HydrophobicContact CD2-CB 4.11Å; L347-L350 HydrophobicContact CD2-CD1 3.96Å; L347-L350 HydrophobicContact CD2-CD2 4.19Å; L347-L350 HydrophobicContact CD2-CG 4.31Å; L347-V545 HydrophobicContact CD2-CG2 4.36Å
348	H	45.4	Very low	70.7	Confident	171 Å²	171	57.1 Å²	57.1	79%	0.792	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	109.3	171.5	-84.6	-58.6	0	0	0	109.8	S346	S346-H348 PolarHBondContact O-N 2.9Å; S346-H348 PolarHBondContact OG-CD2 2.8Å; S346-H348 PolarHBondContact OG-NE2 2.86Å
349	G	50.2	Low	71.8	Confident	75 Å²	75	55.8 Å²	55.8	77%	0.773	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.3	7.3	173.7	0	0	0	0	0	116.4	L347 D351	L347-G349 PolarHBondContact O-N 2.82Å; L347-G349 VanDerWaalsContact O-N 3.09Å; G349-D351 PolarHBondContact O-N 2.94Å
350	L	58.2	Low	73.1	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.147	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-70.4	129.1	170.3	-156.3	82.9	0	0	0	110.1	M339 L347 V545	M339-L350 HydrophobicContact CE-CD2 4.25Å; M339-L350 HydrophobicContact SD-CD2 3.87Å; L347-L350 HydrophobicContact CB-CB 4.33Å; L347-L350 HydrophobicContact CD2-CB 4.11Å; L347-L350 HydrophobicContact CD2-CD1 3.96Å; L347-L350 HydrophobicContact CD2-CD2 4.19Å; L347-L350 HydrophobicContact CD2-CG 4.31Å; L350-V545 HydrophobicContact CD1-CG2 3.21Å
351	D	63.4	Low	74.7	Confident	106 Å²	106	53 Å²	53	57%	0.567	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-57.7	157.8	168.2	-80.2	-32.9	0	0	0	110.6	G349 Q353	G349-D351 PolarHBondContact O-N 2.94Å; D351-Q353 PolarHBondContact O-N 3.21Å; D351-Q353 VanDerWaalsContact O-N 3.17Å
352	K	78.1	Confident	76.3	Confident	95 Å²	95	45 Å²	45	41%	0.413	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-55.9	121.3	178.2	-65.6	-174.7	164	-133.9	0	110.4	E333 L354 F394	E333-K352 VanDerWaalsContact CD-NZ 3.33Å; E333-K352 VanDerWaalsContact OE1-CD 3.3Å; E333-K352 WeakPolarHBondContact OE1-CD 3.4Å; E333-K352 VanDerWaalsContact OE1-CE 3.26Å; E333-K352 WeakPolarHBondContact OE1-CE 3.27Å; E333-K352 WeakPolarHBondContact OE1-CG 3.34Å; E333-K352 IonicContact OE1-NZ 3.28Å; E333-K352 PolarHBondContact OE1-NZ 3.15Å; E333-K352 VanDerWaalsContact OE1-NZ 3.07Å; E333-K352 IonicContact OE2-NZ 3.75Å; E333-K352 PolarHBondContact OE2-NZ 2.72Å; K352-L354 PolarHBondContact O-N 2.83Å; K352-F394 HydrophobicContact CD-CD1 4.36Å; K352-F394 HydrophobicContact CD-CE1 4.46Å
353	Q	86.8	Confident	78.2	Confident	21 Å²	21	43 Å²	43	10%	0.098	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-81.4	117	171.5	-179.7	60.6	55.2	0	0	109.3	V334 M339 D351 L540 L542	V334-Q353 HydrophobicContact CB-CB 4.22Å; V334-Q353 HydrophobicContact CB-CG 4.16Å; V334-Q353 HydrophobicContact CG2-CB 4.45Å; V334-Q353 HydrophobicContact CG2-CG 3.94Å; V334-Q353 PolarHBondContact N-O 3.2Å; M339-Q353 HydrophobicContact CE-CB 4.19Å; M339-Q353 HydrophobicContact SD-CB 3.64Å; M339-Q353 HydrophobicContact SD-CG 4.28Å; D351-Q353 PolarHBondContact O-N 3.21Å; D351-Q353 VanDerWaalsContact O-N 3.17Å; Q353-L540 HydrophobicContact CG-CD2 3.88Å; Q353-L542 HydrophobicContact CG-CD2 3.87Å
354	L	92.1	Very high	79.9	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	153.9	178.3	-60.2	176.6	0	0	0	110.8	V295 L331 L332 E333 K352 F394 L396 I405 P406	V295-L354 HydrophobicContact CG2-CD2 4.28Å; L331-L354 HydrophobicContact CD1-CB 4.18Å; L331-L354 HydrophobicContact CD1-CD1 4.44Å; L331-L354 HydrophobicContact CD2-CD1 4.33Å; L332-L354 CarbonylContact O-C 3.55Å; L332-L354 VanDerWaalsContact O-CA 3.29Å; L332-L354 WeakPolarHBondContact O-CA 3.14Å; E333-L354 HydrophobicContact CB-CD2 4.01Å; K352-L354 PolarHBondContact O-N 2.83Å; L354-F394 HydrophobicContact CD1-CD2 3.83Å; L354-F394 HydrophobicContact CD1-CE2 4.33Å; L354-F394 HydrophobicContact CD1-CG 4.32Å; L354-L396 HydrophobicContact CD1-CD1 4.06Å; L354-I405 HydrophobicContact CB-CD1 4.31Å; L354-I405 HydrophobicContact CB-CG1 4.26Å; L354-I405 HydrophobicContact CB-CG2 3.97Å; L354-I405 HydrophobicContact CD1-CD1 3.81Å; L354-I405 HydrophobicContact CD1-CG1 4.41Å; L354-P406 VanDerWaalsContact O-CD 3.31Å; L354-P406 WeakPolarHBondContact O-CD 3.25Å; L354-P406 WeakPolarHBondContact O-CG 3.44Å
355	L	95.4	Very high	81.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	126.9	173	175.7	67.2	0	0	0	108	F189 I235 F292 L332 V334 V357 P406 V408	F189-L355 HydrophobicContact CE1-CD2 4.43Å; F189-L355 HydrophobicContact CE2-CD2 3.84Å; F189-L355 HydrophobicContact CZ-CD1 4.44Å; F189-L355 HydrophobicContact CZ-CD2 3.76Å; I235-L355 HydrophobicContact CD1-CD2 3.85Å; F292-L355 HydrophobicContact CE1-CD2 4.11Å; L332-L355 PolarHBondContact N-O 3.01Å; L332-L355 PolarHBondContact O-N 3.24Å; V334-L355 HydrophobicContact CG2-CB 4.44Å; L355-V357 HydrophobicContact CD2-CG2 4.28Å; L355-V357 HydrophobicContact CG-CG2 4.3Å; L355-P406 HydrophobicContact CD1-CB 4.08Å; L355-P406 HydrophobicContact CD1-CG 3.82Å; L355-V408 HydrophobicContact CD1-CG2 4.13Å
356	L	97.8	Very high	83.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.1	173.2	-173.8	59.6	0	0	0	109.3	A329 L331 V383 I386 V387 I405 P406 L407 V408	A329-L356 HydrophobicContact CB-CD1 4.15Å; L331-L356 HydrophobicContact CB-CD1 4.22Å; L331-L356 HydrophobicContact CD1-CB 4.34Å; L331-L356 HydrophobicContact CD1-CD1 4.29Å; L356-V383 HydrophobicContact CD2-CG1 3.66Å; L356-I386 HydrophobicContact CD1-CG2 4.19Å; L356-I386 HydrophobicContact CD2-CG2 4.3Å; L356-V387 HydrophobicContact CD2-CG2 3.45Å; L356-V387 VanDerWaalsContact CD2-CG2 3.45Å; L356-I405 HydrophobicContact CB-CG2 4.2Å; L356-P406 PolarHBondContact N-O 3.48Å; L356-L407 HydrophobicContact CB-CD1 4.22Å; L356-L407 HydrophobicContact CD2-CD1 4.21Å; L356-L407 HydrophobicContact CG-CD1 4.03Å; L356-L407 WeakPolarHBondContact O-CA 3.49Å; L356-V408 PolarHBondContact O-N 3.48Å
357	V	98.6	Very high	85.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.1	172.2	-175	0	0	0	0	108.2	I235 I285 A329 V330 L332 L355 V408	I235-V357 HydrophobicContact CD1-CG2 3.83Å; I235-V357 HydrophobicContact CG2-CG1 3.83Å; I235-V357 HydrophobicContact CG2-CG2 4.11Å; I285-V357 HydrophobicContact CD1-CB 4.44Å; I285-V357 HydrophobicContact CD1-CG1 4.05Å; I285-V357 WeakPolarHBondContact CD1-O 3.44Å; I285-V357 HydrophobicContact CG2-CG1 4.08Å; A329-V357 CarbonylContact C-O 3.33Å; A329-V357 VanDerWaalsContact CA-O 3.24Å; A329-V357 WeakPolarHBondContact CA-O 3.47Å; V330-V357 PolarHBondContact N-O 3.24Å; V330-V357 PolarHBondContact O-N 3.12Å; L332-V357 HydrophobicContact CD1-CG2 3.68Å; L332-V357 HydrophobicContact CG-CG2 4.45Å; L355-V357 HydrophobicContact CD2-CG2 4.28Å; L355-V357 HydrophobicContact CG-CG2 4.3Å; V357-V408 CarbonylContact C-O 3.59Å; V357-V408 WeakPolarHBondContact CA-O 3.38Å
358	A	98.7	Very high	87.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.7	177.6	0	0	0	0	0	109.9	V328 A329 F379 V383 L407 V408 L409 C410	V328-A358 CarbonylContact O-C 3.42Å; V328-A358 WeakPolarHBondContact O-CA 3.47Å; A329-A358 HydrophobicContact CB-CB 4.4Å; A358-F379 HydrophobicContact CB-CE1 3.91Å; A358-F379 HydrophobicContact CB-CZ 3.74Å; A358-V383 HydrophobicContact CB-CG2 4.25Å; A358-L407 HydrophobicContact CB-CD1 3.94Å; A358-V408 PolarHBondContact N-O 3.39Å; A358-L409 HydrophobicContact CB-CD1 3.84Å; A358-C410 PolarHBondContact O-N 3.01Å
359	N	98.8	Very high	89.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.9	177.2	-179.8	11.8	0	0	0	110.1	L238 Q239 A284 I285 G327 V328 C410	L238-N359 PolarHBondContact N-ND2 3.37Å; L238-N359 PolarHBondContact O-ND2 3.45Å; Q239-N359 PolarHBondContact NE2-OD1 2.91Å; A284-N359 PolarHBondContact O-ND2 2.95Å; I285-N359 HydrophobicContact CD1-CB 3.75Å; I285-N359 HydrophobicContact CG1-CB 3.63Å; G327-N359 CarbonylContact C-O 3.52Å; G327-N359 VanDerWaalsContact CA-O 3.28Å; G327-N359 WeakPolarHBondContact CA-O 3.31Å; V328-N359 HydrophobicContact CG2-CB 3.86Å; V328-N359 PolarHBondContact N-O 3.44Å; V328-N359 PolarHBondContact O-N 3.38Å; N359-C410 WeakPolarHBondContact CA-O 3.44Å
360	A	98.4	Very high	91.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	156	177.8	0	0	0	0	0	113.3	F302 M362 F379 C410 A411 D412	F302-A360 HydrophobicContact CZ-CB 4.45Å; A360-M362 HydrophobicContact CB-CE 3.58Å; A360-M362 HydrophobicContact CB-SD 4.48Å; A360-F379 HydrophobicContact CB-CD1 3.88Å; A360-F379 HydrophobicContact CB-CE1 3.56Å; A360-F379 HydrophobicContact CB-CZ 3.97Å; A360-C410 PolarHBondContact N-O 2.91Å; A360-C410 VanDerWaalsContact N-O 3.17Å; A360-A411 HydrophobicContact CB-CB 4.34Å; A360-A411 WeakPolarHBondContact O-CA 3.47Å; A360-A411 WeakPolarHBondContact O-CB 3.37Å; A360-D412 PolarHBondContact O-N 2.9Å; A360-D412 VanDerWaalsContact O-N 3.08Å
361	H	98.2	Very high	93.5	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.056	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	103.4	171.5	-177.6	-179.5	0	0	0	108.8	Q239 E240 N325 I326 D412 N414	Q239-H361 HydrophobicContact CB-CB 4.25Å; Q239-H361 HydrophobicContact CG-CB 4.13Å; E240-H361 IonicContact OE1-CE1 2.73Å; E240-H361 PolarHBondContact OE1-CE1 2.77Å; N325-H361 WeakPolarHBondContact CB-O 3.31Å; N325-H361 PolarHBondContact ND2-O 3.26Å; I326-H361 PolarHBondContact O-N 3.35Å; H361-D412 WeakPolarHBondContact CA-O 3.12Å; H361-D412 IonicContact CD2-OD2 2.87Å; H361-D412 IonicContact NE2-OD2 3.73Å; H361-N414 PolarHBondContact NE2-ND2 3.3Å
362	M	97.9	Very high	95.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.151	C	C	.	.			trans	-77.2	165.5	-176.4	-56.4	-55.2	171.8	0	0	112.1	F302 N325 A360 Q375 F379 D412 L413 N414	F302-M362 HydrophobicContact CE2-CE 4.44Å; F302-M362 HydrophobicContact CE2-SD 3.71Å; F302-M362 HydrophobicContact CZ-CE 4.17Å; F302-M362 HydrophobicContact CZ-SD 4.02Å; N325-M362 PolarHBondContact ND2-O 2.9Å; A360-M362 HydrophobicContact CB-CE 3.58Å; A360-M362 HydrophobicContact CB-SD 4.48Å; M362-Q375 HydrophobicContact SD-CB 3.73Å; M362-F379 HydrophobicContact CE-CB 4.42Å; M362-F379 HydrophobicContact CE-CD1 4.23Å; M362-D412 PolarHBondContact N-O 3.12Å; M362-L413 HydrophobicContact CE-CD2 4Å; M362-L413 HydrophobicContact CG-CD2 3.82Å; M362-N414 PolarHBondContact O-ND2 3.4Å; M362-N414 VanDerWaalsContact O-ND2 3.08Å
363	H	97.9	Very high	96	Very high	17 Å²	17	27.6 Å²	27.6	8%	0.079	13%	0.131	C	C	.	.			trans	-58.6	141.6	177.6	-171.3	54	0	0	0	112.1	K323 N325 D365 Y368 V371 K372 N414	K323-H363 VanDerWaalsContact CE-CE1 3.49Å; K323-H363 WeakPolarHBondContact CE-CE1 3.37Å; K323-H363 WeakPolarHBondContact CE-NE2 3.37Å; N325-H363 PolarHBondContact ND2-N 2.72Å; H363-D365 WeakPolarHBondContact NE2-CB 3.43Å; H363-Y368 AromaticContact CD2-CG 3.99Å; H363-Y368 AromaticContact NE2-CG 3.99Å; H363-V371 HydrophobicContact CB-CG1 4.17Å; H363-K372 WeakPolarHBondContact O-CD 3.44Å; H363-K372 WeakPolarHBondContact O-CE 3.41Å; H363-K372 WeakPolarHBondContact O-CG 3.45Å; H363-N414 VanDerWaalsContact O-CB 3.26Å; H363-N414 WeakPolarHBondContact O-CB 3.42Å
364	W	95.3	Very high	96.5	Very high	172 Å²	172	26.6 Å²	26.6	65%	0.652	13%	0.127	S	C	*	.			trans	-87.5	-36.1	-169.4	69.5	-92.1	0	0	0	114.2	P366 K372	W364-P366 WeakPolarHBondContact O-CD 3.2Å; W364-K372 PolarHBondContact O-NZ 3.3Å
365	D	95.3	Very high	96.7	Very high	42 Å²	42	26.4 Å²	26.4	23%	0.225	13%	0.126	C	C	.	.			trans	-58.5	120.8	-167.6	-170.9	-27.1	0	0	0	112.2	H363 E367 Y368 K372	H363-D365 WeakPolarHBondContact NE2-CB 3.43Å; D365-E367 PolarHBondContact O-N 2.91Å; D365-E367 VanDerWaalsContact O-N 3.15Å; D365-E367 WeakPolarHBondContact OD1-CB 3.42Å; D365-E367 PolarHBondContact OD1-N 2.82Å; D365-Y368 HydrophobicContact CB-CD2 3.66Å; D365-Y368 HydrophobicContact CB-CE2 4.34Å; D365-Y368 HydrophobicContact CB-CG 4.44Å; D365-Y368 VanDerWaalsContact CG-CD2 3.43Å; D365-Y368 PolarHBondContact O-N 2.75Å; D365-Y368 WeakPolarHBondContact OD2-CD2 3.22Å; D365-Y368 VanDerWaalsContact OD2-CE2 3.3Å; D365-Y368 WeakPolarHBondContact OD2-CE2 3.4Å; D365-K372 WeakPolarHBondContact O-CE 3.43Å; D365-K372 PolarHBondContact O-NZ 2.76Å
366	P	92.3	Very high	96.8	Very high	93 Å²	93	26.5 Å²	26.5	60%	0.604	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-54.4	-29.1	177.5	-26.5	35.5	0	0	0	114.1	W364 Y368	W364-P366 WeakPolarHBondContact O-CD 3.2Å; P366-Y368 PolarHBondContact O-N 3.35Å
367	E	94.1	Very high	96.7	Very high	121 Å²	121	26.5 Å²	26.5	57%	0.565	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-76.5	0.8	179.7	-69.6	-57.2	145.9	0	0	114.2	R319 D365 K438	R319-E367 PolarHBondContact NH2-O 2.91Å; D365-E367 PolarHBondContact O-N 2.91Å; D365-E367 VanDerWaalsContact O-N 3.15Å; D365-E367 WeakPolarHBondContact OD1-CB 3.42Å; D365-E367 PolarHBondContact OD1-N 2.82Å; E367-K438 VanDerWaalsContact O-CE 3.31Å; E367-K438 WeakPolarHBondContact O-CE 3.46Å; E367-K438 PolarHBondContact O-NZ 2.86Å; E367-K438 IonicContact OE2-NZ 3.74Å; E367-K438 PolarHBondContact OE2-NZ 2.9Å
368	Y	96.3	Very high	96.5	Very high	60 Å²	60	26.5 Å²	26.5	24%	0.235	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-121.6	42.7	-176.9	-72.6	-98.8	0	0	0	112	R319 H363 D365 P366 D370 V371 K372	R319-Y368 HydrophobicContact CB-CE1 4.47Å; R319-Y368 VanDerWaalsContact CZ-CE1 3.46Å; R319-Y368 VanDerWaalsContact NH1-CE1 3.32Å; H363-Y368 AromaticContact CD2-CG 3.99Å; H363-Y368 AromaticContact NE2-CG 3.99Å; D365-Y368 HydrophobicContact CB-CD2 3.66Å; D365-Y368 HydrophobicContact CB-CE2 4.34Å; D365-Y368 HydrophobicContact CB-CG 4.44Å; D365-Y368 VanDerWaalsContact CG-CD2 3.43Å; D365-Y368 PolarHBondContact O-N 2.75Å; D365-Y368 WeakPolarHBondContact OD2-CD2 3.22Å; D365-Y368 VanDerWaalsContact OD2-CE2 3.3Å; D365-Y368 WeakPolarHBondContact OD2-CE2 3.4Å; P366-Y368 PolarHBondContact O-N 3.35Å; Y368-D370 WeakPolarHBondContact CA-OD1 3.37Å; Y368-D370 PolarHBondContact O-N 2.94Å; Y368-V371 HydrophobicContact CD1-CB 4.49Å; Y368-V371 HydrophobicContact CD1-CG2 3.65Å; Y368-V371 HydrophobicContact CG-CG2 4.38Å; Y368-V371 PolarHBondContact O-N 3.07Å; Y368-K372 WeakPolarHBondContact O-CG 3.23Å; Y368-K372 PolarHBondContact O-N 3.21Å; Y368-K372 VanDerWaalsContact O-N 3.1Å
369	S	96.5	Very high	96.5	Very high	24 Å²	24	26.5 Å²	26.5	17%	0.168	13%	0.126	C	C	.	.	H	α-helix	trans	-50.2	-37.1	172	58.9	0	0	0	0	112.9	K372 L373 D436	S369-K372 PolarHBondContact O-N 3.09Å; S369-L373 WeakPolarHBondContact O-CB 3.25Å; S369-L373 PolarHBondContact O-N 2.92Å; S369-D436 CarbonylContact C-O 3.56Å; S369-D436 PolarHBondContact OG-O 3.37Å
370	D	95.4	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-45.3	178	61.5	-50	0	0	0	111	R319 Y368 L373 V374 D436 L440 Y442	R319-D370 IonicContact CZ-OD1 3.75Å; R319-D370 IonicContact CZ-OD2 2.74Å; R319-D370 IonicContact NE-OD1 2.78Å; R319-D370 IonicContact NE-OD2 3.98Å; R319-D370 PolarHBondContact NE-OD2 2.95Å; R319-D370 IonicContact NH2-OD1 3.71Å; R319-D370 PolarHBondContact NH2-OD1 2.88Å; R319-D370 IonicContact NH2-OD2 3.62Å; Y368-D370 WeakPolarHBondContact CA-OD1 3.37Å; Y368-D370 PolarHBondContact O-N 2.94Å; D370-L373 PolarHBondContact O-N 3.4Å; D370-V374 VanDerWaalsContact O-CG2 3.25Å; D370-V374 WeakPolarHBondContact O-CG2 3.32Å; D370-V374 PolarHBondContact O-N 3.07Å; D370-D436 WeakPolarHBondContact CA-O 3.3Å; D370-D436 VanDerWaalsContact CB-O 3.29Å; D370-D436 WeakPolarHBondContact CB-O 3.31Å; D370-D436 PolarHBondContact N-O 3.37Å; D370-L440 HydrophobicContact CB-CD1 4.43Å; D370-L440 VanDerWaalsContact OD2-CD1 3.3Å; D370-L440 WeakPolarHBondContact OD2-CD1 3.38Å; D370-Y442 HydrophobicContact CB-CE2 3.89Å; D370-Y442 PolarHBondContact OD2-OH 3.03Å
371	V	96.8	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-42.9	179	177.6	0	0	0	0	111.1	R319 V320 K323 H363 Y368 L373 V374 Q375	R319-V371 HydrophobicContact CB-CG2 3.93Å; V320-V371 HydrophobicContact CG2-CG2 4.09Å; K323-V371 HydrophobicContact CG-CG1 4.05Å; H363-V371 HydrophobicContact CB-CG1 4.17Å; Y368-V371 HydrophobicContact CD1-CB 4.49Å; Y368-V371 HydrophobicContact CD1-CG2 3.65Å; Y368-V371 HydrophobicContact CG-CG2 4.38Å; Y368-V371 PolarHBondContact O-N 3.07Å; V371-L373 VanDerWaalsContact C-N 3.3Å; V371-L373 PolarHBondContact O-N 3.43Å; V371-V374 PolarHBondContact O-N 2.99Å; V371-Q375 HydrophobicContact CG1-CG 4.1Å; V371-Q375 VanDerWaalsContact O-CB 3.31Å; V371-Q375 WeakPolarHBondContact O-CB 3.39Å; V371-Q375 VanDerWaalsContact O-CG 3.24Å; V371-Q375 WeakPolarHBondContact O-CG 3.38Å; V371-Q375 PolarHBondContact O-N 3.12Å
372	K	97.8	Very high	96	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.057	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-43.4	177.4	-61.4	176.5	-165.4	-170.2	0	111.2	H363 W364 D365 Y368 S369 T376 N414 V421	H363-K372 WeakPolarHBondContact O-CD 3.44Å; H363-K372 WeakPolarHBondContact O-CE 3.41Å; H363-K372 WeakPolarHBondContact O-CG 3.45Å; W364-K372 PolarHBondContact O-NZ 3.3Å; D365-K372 WeakPolarHBondContact O-CE 3.43Å; D365-K372 PolarHBondContact O-NZ 2.76Å; Y368-K372 WeakPolarHBondContact O-CG 3.23Å; Y368-K372 PolarHBondContact O-N 3.21Å; Y368-K372 VanDerWaalsContact O-N 3.1Å; S369-K372 PolarHBondContact O-N 3.09Å; K372-T376 WeakPolarHBondContact O-CB 3.33Å; K372-T376 PolarHBondContact O-N 2.88Å; K372-T376 PolarHBondContact O-OG1 2.88Å; K372-N414 HydrophobicContact CD-CB 4.38Å; K372-N414 WeakPolarHBondContact CD-O 3.27Å; K372-N414 PolarHBondContact NZ-O 2.73Å; K372-V421 HydrophobicContact CB-CG2 4Å
373	L	96.7	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-47.8	177.3	-174.6	53.1	0	0	0	112.4	S369 D370 V371 Q375 T376 M377 G420 V421 V430 D436 F437	S369-L373 WeakPolarHBondContact O-CB 3.25Å; S369-L373 PolarHBondContact O-N 2.92Å; D370-L373 PolarHBondContact O-N 3.4Å; V371-L373 VanDerWaalsContact C-N 3.3Å; V371-L373 PolarHBondContact O-N 3.43Å; L373-Q375 PolarHBondContact O-N 3.5Å; L373-T376 PolarHBondContact O-N 2.82Å; L373-M377 HydrophobicContact CD1-CE 3.85Å; L373-M377 HydrophobicContact CD2-CE 4.4Å; L373-M377 HydrophobicContact CG-CE 3.89Å; L373-M377 WeakPolarHBondContact O-CG 3.43Å; L373-M377 PolarHBondContact O-N 2.83Å; L373-G420 WeakPolarHBondContact CD1-O 3.49Å; L373-V421 HydrophobicContact CB-CG2 4.16Å; L373-V421 HydrophobicContact CD1-CG2 4.29Å; L373-V430 HydrophobicContact CD1-CG1 4.35Å; L373-V430 HydrophobicContact CD2-CG1 4.38Å; L373-D436 HydrophobicContact CD2-CB 4.19Å; L373-F437 HydrophobicContact CB-CE1 4.45Å; L373-F437 HydrophobicContact CD2-CD1 4.18Å; L373-F437 HydrophobicContact CD2-CD2 4.17Å; L373-F437 HydrophobicContact CD2-CE1 3.68Å; L373-F437 HydrophobicContact CD2-CE2 3.67Å; L373-F437 HydrophobicContact CD2-CG 4.41Å; L373-F437 HydrophobicContact CD2-CZ 3.4Å; L373-F437 VanDerWaalsContact CD2-CZ 3.4Å; L373-F437 HydrophobicContact CG-CE1 3.94Å; L373-F437 HydrophobicContact CG-CZ 3.84Å
374	V	95.3	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-41.3	178.3	177.4	0	0	0	0	111.6	M316 V320 D370 V371 T376 M377 M378 F437 Y442 L446	M316-V374 HydrophobicContact CE-CG1 3.8Å; M316-V374 HydrophobicContact SD-CG1 3.88Å; V320-V374 HydrophobicContact CG1-CG1 4.08Å; V320-V374 HydrophobicContact CG2-CB 4.28Å; V320-V374 HydrophobicContact CG2-CG1 4.14Å; D370-V374 VanDerWaalsContact O-CG2 3.25Å; D370-V374 WeakPolarHBondContact O-CG2 3.32Å; D370-V374 PolarHBondContact O-N 3.07Å; V371-V374 PolarHBondContact O-N 2.99Å; V374-T376 VanDerWaalsContact C-N 3.31Å; V374-T376 PolarHBondContact O-N 3.21Å; V374-M377 PolarHBondContact O-N 3.05Å; V374-M378 HydrophobicContact CG1-CE 4.13Å; V374-M378 HydrophobicContact CG1-CG 4.37Å; V374-M378 HydrophobicContact CG1-SD 4.37Å; V374-M378 WeakPolarHBondContact O-CG 3.3Å; V374-M378 PolarHBondContact O-N 2.9Å; V374-F437 HydrophobicContact CG2-CD1 4.45Å; V374-F437 HydrophobicContact CG2-CE1 3.9Å; V374-Y442 HydrophobicContact CG2-CD1 4.47Å; V374-Y442 HydrophobicContact CG2-CE1 4.48Å; V374-L446 HydrophobicContact CB-CD2 4.46Å; V374-L446 HydrophobicContact CG1-CD2 4.01Å; V374-L446 HydrophobicContact CG2-CD2 3.78Å
375	Q	97.3	Very high	95.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-42.5	174.4	-75.9	179.1	-16.9	0	0	111.8	F302 N325 M362 V371 L373 M377 M378 F379	F302-Q375 HydrophobicContact CB-CG 4.09Å; F302-Q375 HydrophobicContact CD2-CB 3.96Å; F302-Q375 HydrophobicContact CD2-CG 3.75Å; F302-Q375 HydrophobicContact CE2-CB 4.2Å; F302-Q375 HydrophobicContact CE2-CG 4.44Å; F302-Q375 HydrophobicContact CG-CB 4.29Å; F302-Q375 HydrophobicContact CG-CG 4.01Å; N325-Q375 PolarHBondContact OD1-NE2 2.79Å; M362-Q375 HydrophobicContact SD-CB 3.73Å; V371-Q375 HydrophobicContact CG1-CG 4.1Å; V371-Q375 VanDerWaalsContact O-CB 3.31Å; V371-Q375 WeakPolarHBondContact O-CB 3.39Å; V371-Q375 VanDerWaalsContact O-CG 3.24Å; V371-Q375 WeakPolarHBondContact O-CG 3.38Å; V371-Q375 PolarHBondContact O-N 3.12Å; L373-Q375 PolarHBondContact O-N 3.5Å; Q375-M377 PolarHBondContact O-N 3.02Å; Q375-M378 HydrophobicContact CB-CE 4.41Å; Q375-M378 HydrophobicContact CG-CE 4Å; Q375-M378 PolarHBondContact O-N 2.94Å; Q375-F379 WeakPolarHBondContact O-CB 3.45Å; Q375-F379 PolarHBondContact O-N 3Å
376	T	97.8	Very high	95.5	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176.6	-57.8	0	0	0	0	111.9	K372 L373 V374 F379 L380 V421 Y424 L425	K372-T376 WeakPolarHBondContact O-CB 3.33Å; K372-T376 PolarHBondContact O-N 2.88Å; K372-T376 PolarHBondContact O-OG1 2.88Å; L373-T376 PolarHBondContact O-N 2.82Å; V374-T376 VanDerWaalsContact C-N 3.31Å; V374-T376 PolarHBondContact O-N 3.21Å; T376-F379 PolarHBondContact O-N 2.75Å; T376-L380 PolarHBondContact O-N 2.66Å; T376-V421 HydrophobicContact CG2-CG1 4.03Å; T376-V421 WeakPolarHBondContact OG1-CG1 3.24Å; T376-Y424 HydrophobicContact CG2-CD1 3.99Å; T376-Y424 HydrophobicContact CG2-CE1 4.33Å; T376-L425 HydrophobicContact CG2-CD1 4.14Å; T376-L425 HydrophobicContact CG2-CD2 3.81Å; T376-L425 HydrophobicContact CG2-CG 3.95Å
377	M	95.5	Very high	95.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-45.9	175.8	-68.2	175.9	172.6	0	0	112.4	L373 V374 Q375 F379 L380 S381 Y424 V430 F437 L446 F449 I462	L373-M377 HydrophobicContact CD1-CE 3.85Å; L373-M377 HydrophobicContact CD2-CE 4.4Å; L373-M377 HydrophobicContact CG-CE 3.89Å; L373-M377 WeakPolarHBondContact O-CG 3.43Å; L373-M377 PolarHBondContact O-N 2.83Å; V374-M377 PolarHBondContact O-N 3.05Å; Q375-M377 PolarHBondContact O-N 3.02Å; M377-F379 VanDerWaalsContact C-N 3.29Å; M377-F379 PolarHBondContact O-N 3.09Å; M377-L380 PolarHBondContact O-N 3.49Å; M377-S381 WeakPolarHBondContact O-CB 3.16Å; M377-S381 PolarHBondContact O-N 2.78Å; M377-Y424 HydrophobicContact CB-CE1 4.49Å; M377-Y424 HydrophobicContact CE-CD2 3.92Å; M377-Y424 HydrophobicContact CE-CE2 4.11Å; M377-Y424 HydrophobicContact CE-CG 4.37Å; M377-Y424 HydrophobicContact CG-CD1 4.32Å; M377-Y424 HydrophobicContact CG-CD2 4.46Å; M377-Y424 HydrophobicContact CG-CE1 3.89Å; M377-Y424 HydrophobicContact CG-CE2 4.09Å; M377-V430 HydrophobicContact CE-CG1 3.18Å; M377-F437 HydrophobicContact CE-CE2 4.46Å; M377-F437 HydrophobicContact CE-CZ 3.67Å; M377-F437 HydrophobicContact SD-CZ 4.08Å; M377-L446 HydrophobicContact SD-CD2 4.34Å; M377-F449 HydrophobicContact CB-CB 4.22Å; M377-I462 HydrophobicContact CE-CB 4.04Å; M377-I462 HydrophobicContact CE-CD1 3.75Å; M377-I462 HydrophobicContact CE-CG2 4.03Å; M377-I462 HydrophobicContact CG-CG2 4.45Å; M377-I462 HydrophobicContact SD-CB 4.46Å; M377-I462 HydrophobicContact SD-CD1 3.76Å; M377-I462 HydrophobicContact SD-CG2 3.97Å
378	M	95.3	Very high	95.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.6	-43.8	175.5	-72.9	-170.3	-62.1	0	0	111.1	F302 L305 A306 V320 V374 Q375 S381 E382 F449	F302-M378 HydrophobicContact CB-CE 3.74Å; F302-M378 HydrophobicContact CD1-CB 4.43Å; F302-M378 HydrophobicContact CD1-CE 4.45Å; F302-M378 HydrophobicContact CG-CE 4.3Å; L305-M378 HydrophobicContact CB-CG 4.48Å; L305-M378 HydrophobicContact CB-SD 3.76Å; L305-M378 HydrophobicContact CD1-CB 3.99Å; A306-M378 HydrophobicContact CB-CE 4.5Å; A306-M378 HydrophobicContact CB-SD 4.18Å; V320-M378 HydrophobicContact CG1-CE 3.56Å; V374-M378 HydrophobicContact CG1-CE 4.13Å; V374-M378 HydrophobicContact CG1-CG 4.37Å; V374-M378 HydrophobicContact CG1-SD 4.37Å; V374-M378 WeakPolarHBondContact O-CG 3.3Å; V374-M378 PolarHBondContact O-N 2.9Å; Q375-M378 HydrophobicContact CB-CE 4.41Å; Q375-M378 HydrophobicContact CG-CE 4Å; Q375-M378 PolarHBondContact O-N 2.94Å; M378-S381 PolarHBondContact O-N 3.09Å; M378-E382 PolarHBondContact O-N 2.93Å; M378-E382 VanDerWaalsContact O-N 3.08Å; M378-F449 HydrophobicContact CB-CE1 4.48Å; M378-F449 HydrophobicContact CG-CD1 4.04Å; M378-F449 HydrophobicContact CG-CD2 4.21Å; M378-F449 HydrophobicContact CG-CE1 3.61Å; M378-F449 HydrophobicContact CG-CE2 3.78Å; M378-F449 HydrophobicContact CG-CG 4.33Å; M378-F449 HydrophobicContact CG-CZ 3.45Å; M378-F449 VanDerWaalsContact CG-CZ 3.45Å; M378-F449 HydrophobicContact SD-CE1 4.41Å; M378-F449 HydrophobicContact SD-CE2 4.42Å; M378-F449 HydrophobicContact SD-CZ 3.9Å
379	F	97.4	Very high	95	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-49.1	-179.9	-168.8	-137.1	0	0	0	112	V300 F302 A358 A360 M362 Q375 T376 M377 S381 E382 V383 L409	V300-F379 HydrophobicContact CB-CD2 3.93Å; V300-F379 HydrophobicContact CB-CE2 4.11Å; V300-F379 HydrophobicContact CG1-CD2 4.1Å; V300-F379 HydrophobicContact CG2-CD2 3.94Å; V300-F379 HydrophobicContact CG2-CE2 3.88Å; F302-F379 HydrophobicContact CE1-CB 3.65Å; F302-F379 AromaticContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CG 4.05Å; F302-F379 HydrophobicContact CZ-CB 3.96Å; F302-F379 HydrophobicContact CZ-CD2 4.16Å; F302-F379 HydrophobicContact CZ-CG 4.12Å; A358-F379 HydrophobicContact CB-CE1 3.91Å; A358-F379 HydrophobicContact CB-CZ 3.74Å; A360-F379 HydrophobicContact CB-CD1 3.88Å; A360-F379 HydrophobicContact CB-CE1 3.56Å; A360-F379 HydrophobicContact CB-CZ 3.97Å; M362-F379 HydrophobicContact CE-CB 4.42Å; M362-F379 HydrophobicContact CE-CD1 4.23Å; Q375-F379 WeakPolarHBondContact O-CB 3.45Å; Q375-F379 PolarHBondContact O-N 3Å; T376-F379 PolarHBondContact O-N 2.75Å; M377-F379 VanDerWaalsContact C-N 3.29Å; M377-F379 PolarHBondContact O-N 3.09Å; F379-S381 VanDerWaalsContact C-N 3.32Å; F379-S381 PolarHBondContact O-N 3Å; F379-E382 PolarHBondContact O-N 3.19Å; F379-V383 HydrophobicContact CD2-CG2 4.22Å; F379-V383 HydrophobicContact CE1-CG2 4.44Å; F379-V383 HydrophobicContact CE2-CG2 4.05Å; F379-V383 HydrophobicContact CG-CG2 4.48Å; F379-V383 HydrophobicContact CZ-CG2 4.18Å; F379-V383 WeakPolarHBondContact O-CB 3.19Å; F379-V383 VanDerWaalsContact O-CG2 3.24Å; F379-V383 WeakPolarHBondContact O-CG2 3.21Å; F379-V383 PolarHBondContact O-N 3.38Å; F379-L409 HydrophobicContact CD1-CD1 4.03Å; F379-L409 HydrophobicContact CE1-CD1 3.46Å; F379-L409 VanDerWaalsContact CE1-CD1 3.46Å
380	L	95.6	Very high	94.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-34.3	179.6	-97.8	54.9	0	0	0	113	T376 M377 V383 K384 L409 Y424 L425 F466 L468	T376-L380 PolarHBondContact O-N 2.66Å; M377-L380 PolarHBondContact O-N 3.49Å; L380-V383 PolarHBondContact O-N 2.86Å; L380-K384 WeakPolarHBondContact O-CB 3.35Å; L380-K384 PolarHBondContact O-N 2.75Å; L380-L409 HydrophobicContact CD1-CD2 3.95Å; L380-Y424 HydrophobicContact CB-CE1 4.37Å; L380-Y424 HydrophobicContact CD2-CD1 4.24Å; L380-Y424 HydrophobicContact CD2-CE1 3.56Å; L380-L425 HydrophobicContact CD1-CD2 3.96Å; L380-L425 HydrophobicContact CD2-CD2 3.39Å; L380-L425 HydrophobicContact CG-CD2 4.33Å; L380-F466 HydrophobicContact CB-CE2 4.47Å; L380-F466 HydrophobicContact CG-CD2 4.31Å; L380-F466 HydrophobicContact CG-CE2 4.34Å; L380-L468 HydrophobicContact CD2-CD1 4.49Å
381	S	94.2	Very high	94.3	Very high	12 Å²	12	17.4 Å²	17.4	8%	0.084	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-45.5	173.4	-171.4	0	0	0	0	111.6	M377 M378 F379 K384 N385	M377-S381 WeakPolarHBondContact O-CB 3.16Å; M377-S381 PolarHBondContact O-N 2.78Å; M378-S381 PolarHBondContact O-N 3.09Å; F379-S381 VanDerWaalsContact C-N 3.32Å; F379-S381 PolarHBondContact O-N 3Å; S381-K384 WeakPolarHBondContact O-CB 3.18Å; S381-K384 PolarHBondContact O-N 2.88Å; S381-N385 PolarHBondContact O-N 3.22Å; S381-N385 PolarHBondContact O-ND2 2.85Å
382	E	95.4	Very high	93.8	Very high	53 Å²	53	25.6 Å²	25.6	25%	0.248	12%	0.116	C	C	.	.	H	α-helix	trans	-70.5	-38.8	176.1	-77.6	-51.2	114.9	0	0	113.3	V300 L305 M378 F379 K384 N385 I386	V300-E382 HydrophobicContact CG1-CB 4.03Å; V300-E382 HydrophobicContact CG1-CG 4.02Å; V300-E382 HydrophobicContact CG2-CB 4Å; L305-E382 HydrophobicContact CD1-CG 3.57Å; L305-E382 HydrophobicContact CD2-CG 3.92Å; L305-E382 HydrophobicContact CG-CG 4.38Å; M378-E382 PolarHBondContact O-N 2.93Å; M378-E382 VanDerWaalsContact O-N 3.08Å; F379-E382 PolarHBondContact O-N 3.19Å; E382-K384 PolarHBondContact O-N 3Å; E382-N385 WeakPolarHBondContact O-CB 3.19Å; E382-N385 PolarHBondContact O-N 2.78Å; E382-N385 PolarHBondContact OE1-ND2 3.37Å; E382-I386 WeakPolarHBondContact O-CG1 3.44Å; E382-I386 PolarHBondContact O-N 2.75Å
383	V	95.1	Very high	93.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-41.5	172	167.6	0	0	0	0	110.2	L356 A358 F379 L380 I386 V387 L407 F466	L356-V383 HydrophobicContact CD2-CG1 3.66Å; A358-V383 HydrophobicContact CB-CG2 4.25Å; F379-V383 HydrophobicContact CD2-CG2 4.22Å; F379-V383 HydrophobicContact CE1-CG2 4.44Å; F379-V383 HydrophobicContact CE2-CG2 4.05Å; F379-V383 HydrophobicContact CG-CG2 4.48Å; F379-V383 HydrophobicContact CZ-CG2 4.18Å; F379-V383 WeakPolarHBondContact O-CB 3.19Å; F379-V383 VanDerWaalsContact O-CG2 3.24Å; F379-V383 WeakPolarHBondContact O-CG2 3.21Å; F379-V383 PolarHBondContact O-N 3.38Å; L380-V383 PolarHBondContact O-N 2.86Å; V383-I386 WeakPolarHBondContact O-CB 3.26Å; V383-I386 PolarHBondContact O-N 2.87Å; V383-V387 WeakPolarHBondContact O-CG2 3.43Å; V383-V387 PolarHBondContact O-N 3.21Å; V383-L407 HydrophobicContact CG1-CD1 3.9Å; V383-L407 HydrophobicContact CG1-CD2 3.79Å; V383-F466 HydrophobicContact CB-CZ 4.46Å; V383-F466 HydrophobicContact CG1-CE1 4.23Å; V383-F466 HydrophobicContact CG1-CE2 4.41Å; V383-F466 HydrophobicContact CG1-CZ 3.79Å
384	K	93.6	Very high	92.3	Very high	37 Å²	37	32.2 Å²	32.2	16%	0.161	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-44.7	173.1	175.6	168.2	173.7	36.6	0	112.2	L380 S381 E382 I386 V387 D388 C451 F466	L380-K384 WeakPolarHBondContact O-CB 3.35Å; L380-K384 PolarHBondContact O-N 2.75Å; S381-K384 WeakPolarHBondContact O-CB 3.18Å; S381-K384 PolarHBondContact O-N 2.88Å; E382-K384 PolarHBondContact O-N 3Å; K384-I386 PolarHBondContact O-N 3.43Å; K384-V387 PolarHBondContact O-N 2.85Å; K384-V387 VanDerWaalsContact O-N 3.14Å; K384-D388 IonicContact NZ-OD1 3.61Å; K384-D388 PolarHBondContact NZ-OD1 3.15Å; K384-D388 IonicContact NZ-OD2 2.78Å; K384-D388 PolarHBondContact NZ-OD2 3.2Å; K384-D388 PolarHBondContact O-N 2.81Å; K384-C451 HydrophobicContact CD-CB 3.46Å; K384-C451 VanDerWaalsContact CD-CB 3.46Å; K384-C451 WeakPolarHBondContact CD-O 3.19Å; K384-C451 WeakPolarHBondContact CE-O 3.22Å; K384-F466 HydrophobicContact CB-CE2 4.1Å; K384-F466 HydrophobicContact CB-CZ 3.81Å
385	N	92.9	Very high	91.3	Very high	59 Å²	59	41 Å²	41	32%	0.316	19%	0.194	S	C	.	.	H	α-helix	trans	-58.4	-37.4	177	-72.6	-28.4	0	0	0	111.9	S381 E382 K389	S381-N385 PolarHBondContact O-N 3.22Å; S381-N385 PolarHBondContact O-ND2 2.85Å; E382-N385 WeakPolarHBondContact O-CB 3.19Å; E382-N385 PolarHBondContact O-N 2.78Å; E382-N385 PolarHBondContact OE1-ND2 3.37Å; N385-K389 WeakPolarHBondContact O-CB 3.31Å; N385-K389 WeakPolarHBondContact O-CD 3.16Å; N385-K389 VanDerWaalsContact O-CG 3.23Å; N385-K389 WeakPolarHBondContact O-CG 3.2Å; N385-K389 PolarHBondContact O-N 2.89Å
386	I	93.7	Very high	89.9	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-49.8	174	-65.7	162.9	0	0	0	110.6	H298 A329 L356 E382 V383 K384 D388 K389 A390	H298-I386 HydrophobicContact CB-CD1 3.63Å; H298-I386 HydrophobicContact CB-CG1 4.45Å; A329-I386 HydrophobicContact CB-CD1 4.15Å; L356-I386 HydrophobicContact CD1-CG2 4.19Å; L356-I386 HydrophobicContact CD2-CG2 4.3Å; E382-I386 WeakPolarHBondContact O-CG1 3.44Å; E382-I386 PolarHBondContact O-N 2.75Å; V383-I386 WeakPolarHBondContact O-CB 3.26Å; V383-I386 PolarHBondContact O-N 2.87Å; K384-I386 PolarHBondContact O-N 3.43Å; I386-D388 PolarHBondContact O-N 3.33Å; I386-K389 PolarHBondContact O-N 3.01Å; I386-A390 WeakPolarHBondContact O-CB 3.49Å; I386-A390 PolarHBondContact O-N 2.95Å
387	V	92	Very high	87.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-45.1	178.1	171.9	0	0	0	0	111.6	L356 V383 K384 A390 T391 I405 F466	L356-V387 HydrophobicContact CD2-CG2 3.45Å; L356-V387 VanDerWaalsContact CD2-CG2 3.45Å; V383-V387 WeakPolarHBondContact O-CG2 3.43Å; V383-V387 PolarHBondContact O-N 3.21Å; K384-V387 PolarHBondContact O-N 2.85Å; K384-V387 VanDerWaalsContact O-N 3.14Å; V387-A390 PolarHBondContact O-N 3.12Å; V387-T391 WeakPolarHBondContact O-CB 3.18Å; V387-T391 PolarHBondContact O-N 2.58Å; V387-T391 PolarHBondContact O-OG1 2.68Å; V387-I405 HydrophobicContact CG1-CB 4.18Å; V387-I405 HydrophobicContact CG1-CD1 4.42Å; V387-I405 HydrophobicContact CG1-CG1 4.47Å; V387-F466 HydrophobicContact CG2-CE1 4.34Å
388	D	90.4	Very high	85.5	Confident	43 Å²	43	52.4 Å²	52.4	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-41.2	-179.4	-70.6	-13.7	0	0	0	111.7	K384 I386 R392	K384-D388 IonicContact NZ-OD1 3.61Å; K384-D388 PolarHBondContact NZ-OD1 3.15Å; K384-D388 IonicContact NZ-OD2 2.78Å; K384-D388 PolarHBondContact NZ-OD2 3.2Å; K384-D388 PolarHBondContact O-N 2.81Å; I386-D388 PolarHBondContact O-N 3.33Å; D388-R392 WeakPolarHBondContact O-CG 3.45Å; D388-R392 PolarHBondContact O-N 3.37Å; D388-R392 VanDerWaalsContact O-N 3.11Å; D388-R392 PolarHBondContact O-NE 3.03Å
389	K	90.6	Very high	83	Confident	116 Å²	116	57.8 Å²	57.8	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-43.7	174.7	-76.7	170.7	-179.2	171.2	0	111.5	N385 I386 S393	N385-K389 WeakPolarHBondContact O-CB 3.31Å; N385-K389 WeakPolarHBondContact O-CD 3.16Å; N385-K389 VanDerWaalsContact O-CG 3.23Å; N385-K389 WeakPolarHBondContact O-CG 3.2Å; N385-K389 PolarHBondContact O-N 2.89Å; I386-K389 PolarHBondContact O-N 3.01Å; K389-S393 WeakPolarHBondContact O-CB 3.42Å; K389-S393 PolarHBondContact O-N 3.2Å; K389-S393 PolarHBondContact O-OG 2.8Å
390	A	89.7	Confident	80.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-47.9	177.6	0	0	0	0	0	111.5	L331 I386 V387 R392 S393 F394 I405	L331-A390 HydrophobicContact CD2-CB 3.65Å; I386-A390 WeakPolarHBondContact O-CB 3.49Å; I386-A390 PolarHBondContact O-N 2.95Å; V387-A390 PolarHBondContact O-N 3.12Å; A390-R392 VanDerWaalsContact C-N 3.31Å; A390-R392 PolarHBondContact O-N 3.48Å; A390-S393 PolarHBondContact O-N 3.19Å; A390-F394 HydrophobicContact CB-CD2 4.44Å; A390-F394 VanDerWaalsContact O-CD2 3.25Å; A390-F394 WeakPolarHBondContact O-CD2 3.28Å; A390-F394 PolarHBondContact O-N 3.04Å; A390-I405 HydrophobicContact CB-CD1 3.69Å
391	T	86.7	Confident	77.9	Confident	21 Å²	21	68.2 Å²	68.2	13%	0.129	37%	0.374	C	S	.	.	H	α-helix	trans	-56.2	-44.6	178.7	-56.4	0	0	0	0	111.4	V387 K395 L396 T398 A404	V387-T391 WeakPolarHBondContact O-CB 3.18Å; V387-T391 PolarHBondContact O-N 2.58Å; V387-T391 PolarHBondContact O-OG1 2.68Å; T391-K395 PolarHBondContact O-N 3.06Å; T391-K395 VanDerWaalsContact O-N 3.11Å; T391-L396 HydrophobicContact CG2-CB 4.4Å; T391-L396 PolarHBondContact O-N 2.93Å; T391-T398 HydrophobicContact CG2-CG2 4.18Å; T391-A404 HydrophobicContact CG2-CB 4.29Å
392	R	86.1	Confident	75.4	Confident	171 Å²	171	72.3 Å²	72.3	65%	0.645	40%	0.398	S	S	*	.	H	α-helix	trans	-65.3	-41.7	175.1	-73.5	-174.5	-67.8	-117.9	-3	113	D388 A390	D388-R392 WeakPolarHBondContact O-CG 3.45Å; D388-R392 PolarHBondContact O-N 3.37Å; D388-R392 VanDerWaalsContact O-N 3.11Å; D388-R392 PolarHBondContact O-NE 3.03Å; A390-R392 VanDerWaalsContact C-N 3.31Å; A390-R392 PolarHBondContact O-N 3.48Å
393	S	84.9	Confident	73.4	Confident	83 Å²	83	70.5 Å²	70.5	58%	0.58	39%	0.391	S	S	*	.	H	α-helix	trans	-69.2	-36.6	-176.3	-57.3	0	0	0	0	112.4	K389 A390	K389-S393 WeakPolarHBondContact O-CB 3.42Å; K389-S393 PolarHBondContact O-N 3.2Å; K389-S393 PolarHBondContact O-OG 2.8Å; A390-S393 PolarHBondContact O-N 3.19Å
394	F	79.3	Confident	72.3	Confident	69 Å²	69	72.3 Å²	72.3	30%	0.303	41%	0.406	S	S	.	.	H	α-helix	trans	-97.2	2.8	-178	-66.8	-71.1	0	0	0	113.9	V295 L331 K352 L354 A390 L396	V295-F394 HydrophobicContact CG1-CE2 3.94Å; V295-F394 HydrophobicContact CG1-CZ 3.49Å; V295-F394 VanDerWaalsContact CG1-CZ 3.49Å; L331-F394 HydrophobicContact CD2-CE2 4.36Å; K352-F394 HydrophobicContact CD-CD1 4.36Å; K352-F394 HydrophobicContact CD-CE1 4.46Å; L354-F394 HydrophobicContact CD1-CD2 3.83Å; L354-F394 HydrophobicContact CD1-CE2 4.33Å; L354-F394 HydrophobicContact CD1-CG 4.32Å; A390-F394 HydrophobicContact CB-CD2 4.44Å; A390-F394 VanDerWaalsContact O-CD2 3.25Å; A390-F394 WeakPolarHBondContact O-CD2 3.28Å; A390-F394 PolarHBondContact O-N 3.04Å; F394-L396 HydrophobicContact CB-CD1 3.63Å; F394-L396 HydrophobicContact CB-CG 4.43Å; F394-L396 PolarHBondContact O-N 3.19Å
395	K	72.9	Confident	72.2	Confident	185 Å²	185	70.6 Å²	70.6	80%	0.804	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	35.7	178	-58.5	-179.2	180	177.3	0	114.1	T391 S397	T391-K395 PolarHBondContact O-N 3.06Å; T391-K395 VanDerWaalsContact O-N 3.11Å; K395-S397 PolarHBondContact O-N 3.35Å
396	L	68.1	Low	72.2	Confident	33 Å²	33	67.9 Å²	67.9	17%	0.173	38%	0.384	C	S	.	.			trans	-62.8	130.6	178.2	-70.8	116.3	0	0	0	110.2	L354 T391 F394 T398 A404	L354-L396 HydrophobicContact CD1-CD1 4.06Å; T391-L396 HydrophobicContact CG2-CB 4.4Å; T391-L396 PolarHBondContact O-N 2.93Å; F394-L396 HydrophobicContact CB-CD1 3.63Å; F394-L396 HydrophobicContact CB-CG 4.43Å; F394-L396 PolarHBondContact O-N 3.19Å; L396-T398 PolarHBondContact O-N 2.74Å; L396-A404 HydrophobicContact CB-CB 4.47Å
397	S	53.6	Low	72.3	Confident	99 Å²	99	67.6 Å²	67.6	69%	0.692	38%	0.382	S	S	*	.			trans	-66.1	115.8	-178.6	60.7	0	0	0	0	111.2	K395 S399	K395-S397 PolarHBondContact O-N 3.35Å; S397-S399 PolarHBondContact O-N 2.85Å
398	T	48.6	Very low	72.7	Confident	109 Å²	109	67.5 Å²	67.5	67%	0.669	38%	0.382	S	S	*	.			trans	-86.4	91.1	177.7	54.8	0	0	0	0	110.3	T391 L396 G400	T391-T398 HydrophobicContact CG2-CG2 4.18Å; L396-T398 PolarHBondContact O-N 2.74Å; T398-G400 PolarHBondContact O-N 3.19Å
399	S	42.8	Very low	73	Confident	112 Å²	112	65.6 Å²	65.6	78%	0.783	37%	0.372	S	S	*	.			trans	-74.3	77	162.6	61.1	0	0	0	0	109.4	S397 E401	S397-S399 PolarHBondContact O-N 2.85Å; S399-E401 PolarHBondContact O-N 3.2Å
400	G	39.5	Very low	73.4	Confident	80 Å²	80	60.1 Å²	60.1	83%	0.825	35%	0.348	S	S	*	.	S	Bend	trans	61.4	-16.9	158.7	0	0	0	0	0	120.5	T398	T398-G400 PolarHBondContact O-N 3.19Å
401	E	45	Very low	73.9	Confident	142 Å²	142	60.1 Å²	60.1	66%	0.664	35%	0.348	S	S	*	.	S	Bend	trans	-104.2	126.7	-178.4	-67.6	-161.5	-175.7	0	0	111	S399 N403 K467	S399-E401 PolarHBondContact O-N 3.2Å; E401-N403 PolarHBondContact O-N 3.22Å; E401-K467 IonicContact OE2-NZ 2.88Å
402	T	41.8	Very low	74.4	Confident	97 Å²	97	59.2 Å²	59.2	60%	0.595	34%	0.342	S	S	*	.	S	Bend	trans	-65	89.1	178.8	37.5	0	0	0	0	110.8
403	N	55	Low	75	Confident	16 Å²	16	51.2 Å²	51.2	9%	0.086	31%	0.312	C	S	.	.			trans	153.1	91.1	139.6	-76.9	-27.5	0	0	0	109.5	E401 I405 G465 F466 H499	E401-N403 PolarHBondContact O-N 3.22Å; N403-I405 PolarHBondContact O-N 3.14Å; N403-G465 VanDerWaalsContact ND2-C 3.3Å; N403-G465 PolarHBondContact ND2-O 2.88Å; N403-G465 VanDerWaalsContact ND2-O 3.13Å; N403-F466 VanDerWaalsContact ND2-CA 3.29Å; N403-F466 WeakPolarHBondContact ND2-CA 3.45Å; N403-F466 WeakPolarHBondContact ND2-CD1 3.34Å; N403-F466 PolarHBondContact ND2-N 3.05Å; N403-H499 PolarHBondContact O-CE1 3.14Å; N403-H499 PolarHBondContact O-NE2 3.15Å
404	A	71.6	Confident	75.7	Confident	38 Å²	38	48.5 Å²	48.5	31%	0.314	29%	0.291	S	S	.	.	S	Bend	trans	-65.5	-20.2	-179.8	0	0	0	0	0	113.8	T391 L396	T391-A404 HydrophobicContact CG2-CB 4.29Å; L396-A404 HydrophobicContact CB-CB 4.47Å
405	I	90.2	Very high	76.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	28%	0.28	C	S	.	.	S	Bend	trans	-112.7	120	-178	-55.3	175.7	0	0	0	108.7	L331 L354 L356 V387 A390 N403	L331-I405 HydrophobicContact CD1-CD1 4.24Å; L331-I405 HydrophobicContact CD1-CG2 4.07Å; L354-I405 HydrophobicContact CB-CD1 4.31Å; L354-I405 HydrophobicContact CB-CG1 4.26Å; L354-I405 HydrophobicContact CB-CG2 3.97Å; L354-I405 HydrophobicContact CD1-CD1 3.81Å; L354-I405 HydrophobicContact CD1-CG1 4.41Å; L356-I405 HydrophobicContact CB-CG2 4.2Å; V387-I405 HydrophobicContact CG1-CB 4.18Å; V387-I405 HydrophobicContact CG1-CD1 4.42Å; V387-I405 HydrophobicContact CG1-CG1 4.47Å; A390-I405 HydrophobicContact CB-CD1 3.69Å; N403-I405 PolarHBondContact O-N 3.14Å
406	P	93.8	Very high	77.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	26%	0.259	C	S	.	.			trans	-64	144.7	175.4	26.3	-34.7	0	0	0	111.6	L354 L355 L356 H499 L500 L540	L354-P406 VanDerWaalsContact O-CD 3.31Å; L354-P406 WeakPolarHBondContact O-CD 3.25Å; L354-P406 WeakPolarHBondContact O-CG 3.44Å; L355-P406 HydrophobicContact CD1-CB 4.08Å; L355-P406 HydrophobicContact CD1-CG 3.82Å; L356-P406 PolarHBondContact N-O 3.48Å; P406-H499 HydrophobicContact CB-CB 3.82Å; P406-L500 HydrophobicContact CB-CD1 4.07Å; P406-L500 HydrophobicContact CB-CG 4.32Å; P406-L540 HydrophobicContact CB-CD1 4.19Å; P406-L540 HydrophobicContact CG-CD1 3.75Å
407	L	96.8	Very high	79.1	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.4	176.8	175.9	62.6	0	0	0	110.5	L356 A358 V383 L409 F466 L468 Y495 S496	L356-L407 HydrophobicContact CB-CD1 4.22Å; L356-L407 HydrophobicContact CD2-CD1 4.21Å; L356-L407 HydrophobicContact CG-CD1 4.03Å; L356-L407 WeakPolarHBondContact O-CA 3.49Å; A358-L407 HydrophobicContact CB-CD1 3.94Å; V383-L407 HydrophobicContact CG1-CD1 3.9Å; V383-L407 HydrophobicContact CG1-CD2 3.79Å; L407-L409 HydrophobicContact CG-CB 4.38Å; L407-F466 HydrophobicContact CB-CD1 4.26Å; L407-F466 HydrophobicContact CD2-CD1 3.75Å; L407-F466 HydrophobicContact CD2-CD2 4.4Å; L407-F466 HydrophobicContact CD2-CE1 3.96Å; L407-F466 HydrophobicContact CD2-CG 3.99Å; L407-F466 HydrophobicContact CD2-CZ 4.37Å; L407-L468 HydrophobicContact CD2-CD2 4.19Å; L407-Y495 WeakPolarHBondContact O-CA 2.97Å; L407-S496 PolarHBondContact N-OG 2.93Å; L407-S496 VanDerWaalsContact N-OG 3.13Å; L407-S496 PolarHBondContact O-N 2.97Å
408	V	98.6	Very high	81	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.7	159.7	174.9	0	0	0	0	107.4	F189 V191 L355 L356 V357 A358 I493 F494 L500 L538	F189-V408 HydrophobicContact CE2-CG2 4.35Å; F189-V408 HydrophobicContact CZ-CG2 4.2Å; V191-V408 HydrophobicContact CG1-CG1 3.93Å; V191-V408 HydrophobicContact CG2-CG1 4.14Å; L355-V408 HydrophobicContact CD1-CG2 4.13Å; L356-V408 PolarHBondContact O-N 3.48Å; V357-V408 CarbonylContact C-O 3.59Å; V357-V408 WeakPolarHBondContact CA-O 3.38Å; A358-V408 PolarHBondContact N-O 3.39Å; V408-I493 HydrophobicContact CG1-CG2 4.34Å; V408-F494 CarbonylContact C-O 3.51Å; V408-F494 WeakPolarHBondContact CA-O 3.24Å; V408-L500 HydrophobicContact CG2-CD1 3.73Å; V408-L538 HydrophobicContact CG1-CD1 4.47Å; V408-L538 HydrophobicContact CG2-CD1 3.73Å
409	L	98.6	Very high	83.3	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.4	-178.8	168.3	65.2	0	0	0	109.1	A358 F379 L380 L407 L425 L468 I493 F494	A358-L409 HydrophobicContact CB-CD1 3.84Å; F379-L409 HydrophobicContact CD1-CD1 4.03Å; F379-L409 HydrophobicContact CE1-CD1 3.46Å; F379-L409 VanDerWaalsContact CE1-CD1 3.46Å; L380-L409 HydrophobicContact CD1-CD2 3.95Å; L407-L409 HydrophobicContact CG-CB 4.38Å; L409-L425 HydrophobicContact CD2-CD2 3.8Å; L409-L468 HydrophobicContact CD2-CD1 4.2Å; L409-I493 CarbonylContact O-C 3.24Å; L409-F494 HydrophobicContact CB-CB 4.02Å; L409-F494 HydrophobicContact CD2-CB 4.33Å; L409-F494 HydrophobicContact CG-CB 4.41Å; L409-F494 PolarHBondContact N-O 2.8Å; L409-F494 PolarHBondContact O-N 3.46Å
410	C	98.8	Very high	85.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.1	168.9	-62.7	0	0	0	0	108.7	V191 C193 S237 A358 N359 A360 Y492	V191-C410 VanDerWaalsContact CG1-SG 3.59Å; C193-C410 HydrophobicContact CB-CB 3.95Å; S237-C410 WeakPolarHBondContact OG-CB 3.46Å; S237-C410 PolarHBondContact OG-SG 3.44Å; S237-C410 VanDerWaalsContact OG-SG 3.4Å; A358-C410 PolarHBondContact O-N 3.01Å; N359-C410 WeakPolarHBondContact CA-O 3.44Å; A360-C410 PolarHBondContact N-O 2.91Å; A360-C410 VanDerWaalsContact N-O 3.17Å; C410-Y492 WeakPolarHBondContact CA-O 3.35Å
411	A	98.3	Very high	88.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	144.7	172.6	0	0	0	0	0	112.7	A360 L413 D491 Y492	A360-A411 HydrophobicContact CB-CB 4.34Å; A360-A411 WeakPolarHBondContact O-CA 3.47Å; A360-A411 WeakPolarHBondContact O-CB 3.37Å; A411-L413 HydrophobicContact CB-CD2 3.48Å; A411-L413 VanDerWaalsContact CB-CD2 3.48Å; A411-L413 HydrophobicContact CB-CG 3.84Å; A411-D491 WeakPolarHBondContact O-CA 3.39Å; A411-Y492 PolarHBondContact N-O 3.15Å; A411-Y492 PolarHBondContact O-N 3.01Å
412	D	98.6	Very high	91.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	102.8	151.2	-176.6	-15.4	0	0	0	107	N195 Q239 A360 H361 M362 N414 H531	N195-D412 PolarHBondContact ND2-OD2 2.86Å; Q239-D412 HydrophobicContact CG-CB 4.13Å; A360-D412 PolarHBondContact O-N 2.9Å; A360-D412 VanDerWaalsContact O-N 3.08Å; H361-D412 WeakPolarHBondContact CA-O 3.12Å; H361-D412 IonicContact CD2-OD2 2.87Å; H361-D412 IonicContact NE2-OD2 3.73Å; M362-D412 PolarHBondContact N-O 3.12Å; D412-N414 PolarHBondContact OD1-N 3.34Å; D412-N414 PolarHBondContact OD1-ND2 3.02Å; D412-H531 IonicContact OD2-CE1 2.67Å; D412-H531 PolarHBondContact OD2-CE1 2.65Å; D412-H531 VanDerWaalsContact OD2-CE1 3.28Å; D412-H531 IonicContact OD2-NE2 3.08Å
413	L	98.5	Very high	93.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	12%	0.121	C	C	.	.			trans	-87.3	-11.8	-177.1	-65.3	-180	0	0	0	112.3	M362 A411 S415 V421 L425 I490 Y492 F494	M362-L413 HydrophobicContact CE-CD2 4Å; M362-L413 HydrophobicContact CG-CD2 3.82Å; A411-L413 HydrophobicContact CB-CD2 3.48Å; A411-L413 VanDerWaalsContact CB-CD2 3.48Å; A411-L413 HydrophobicContact CB-CG 3.84Å; L413-S415 WeakPolarHBondContact O-CB 3.32Å; L413-S415 PolarHBondContact O-N 3.18Å; L413-S415 PolarHBondContact O-OG 3.02Å; L413-V421 HydrophobicContact CB-CG1 4.4Å; L413-V421 HydrophobicContact CD1-CG1 3.94Å; L413-V421 HydrophobicContact CD2-CG1 4.27Å; L413-V421 HydrophobicContact CG-CG1 4.45Å; L413-L425 HydrophobicContact CD1-CD1 3.54Å; L413-L425 HydrophobicContact CD2-CD1 4.48Å; L413-I490 PolarHBondContact N-O 3.11Å; L413-Y492 HydrophobicContact CB-CD2 4.1Å; L413-Y492 HydrophobicContact CB-CE2 4.2Å; L413-Y492 HydrophobicContact CD1-CD2 3.41Å; L413-Y492 VanDerWaalsContact CD1-CD2 3.41Å; L413-Y492 HydrophobicContact CD1-CE2 3.88Å; L413-Y492 HydrophobicContact CD1-CG 4.04Å; L413-Y492 HydrophobicContact CG-CD2 3.83Å; L413-Y492 HydrophobicContact CG-CE2 4.37Å; L413-F494 HydrophobicContact CD1-CE2 4.26Å
414	N	98.4	Very high	95.8	Very high	27 Å²	27	20.5 Å²	20.5	14%	0.144	12%	0.117	C	C	.	.			trans	47.8	31.6	-170.9	-80.5	-66.9	0	0	0	112.9	H361 M362 H363 K372 D412	H361-N414 PolarHBondContact NE2-ND2 3.3Å; M362-N414 PolarHBondContact O-ND2 3.4Å; M362-N414 VanDerWaalsContact O-ND2 3.08Å; H363-N414 VanDerWaalsContact O-CB 3.26Å; H363-N414 WeakPolarHBondContact O-CB 3.42Å; K372-N414 HydrophobicContact CD-CB 4.38Å; K372-N414 WeakPolarHBondContact CD-O 3.27Å; K372-N414 PolarHBondContact NZ-O 2.73Å; D412-N414 PolarHBondContact OD1-N 3.34Å; D412-N414 PolarHBondContact OD1-ND2 3.02Å
415	S	98.1	Very high	97	Very high	8 Å²	8	18.7 Å²	18.7	6%	0.056	10%	0.102	C	C	.	.			trans	-138.7	129.2	-170.3	-59.5	0	0	0	0	109.9	L413 S419 V421 Y492	L413-S415 WeakPolarHBondContact O-CB 3.32Å; L413-S415 PolarHBondContact O-N 3.18Å; L413-S415 PolarHBondContact O-OG 3.02Å; S415-S419 WeakPolarHBondContact CB-OG 3.18Å; S415-V421 WeakPolarHBondContact OG-CG2 3.16Å; S415-Y492 WeakPolarHBondContact O-CE2 3.17Å; S415-Y492 PolarHBondContact O-OH 2.67Å
416	L	97.3	Very high	97.2	Very high	70 Å²	70	21.4 Å²	21.4	37%	0.366	12%	0.121	S	C	.	.			trans	-71.6	162.5	-178.8	-69.6	173.2	0	0	0	112.2	D418 S419 V422 F486 I490	L416-D418 VanDerWaalsContact CB-OD1 3.24Å; L416-D418 WeakPolarHBondContact CB-OD1 3.46Å; L416-D418 PolarHBondContact O-N 2.84Å; L416-D418 VanDerWaalsContact O-N 3.09Å; L416-S419 WeakPolarHBondContact O-CB 3.41Å; L416-S419 PolarHBondContact O-N 3.13Å; L416-S419 PolarHBondContact O-OG 3.45Å; L416-V422 WeakPolarHBondContact O-CG2 3.47Å; L416-F486 HydrophobicContact CD2-CE2 4.26Å; L416-F486 HydrophobicContact CD2-CZ 3.92Å; L416-I490 HydrophobicContact CD2-CG2 4.32Å
417	P	96.5	Very high	97.2	Very high	49 Å²	49	24.3 Å²	24.3	32%	0.318	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.3	-178.5	-26.7	35.8	0	0	0	115.7	V422 V489 Y492	P417-V422 WeakPolarHBondContact O-CG1 3.5Å; P417-V489 HydrophobicContact CG-CB 4.01Å; P417-V489 HydrophobicContact CG-CG1 4.32Å; P417-Y492 WeakPolarHBondContact CD-OH 3.12Å
418	D	95.1	Very high	97	Very high	118 Å²	118	24.8 Å²	24.8	63%	0.631	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	6.1	178.9	68.5	-42	0	0	0	113.8	L416	L416-D418 VanDerWaalsContact CB-OD1 3.24Å; L416-D418 WeakPolarHBondContact CB-OD1 3.46Å; L416-D418 PolarHBondContact O-N 2.84Å; L416-D418 VanDerWaalsContact O-N 3.09Å
419	S	97.1	Very high	96.7	Very high	13 Å²	13	24.8 Å²	24.8	9%	0.091	15%	0.147	C	C	.	.	S	Bend	trans	-77.6	157.1	177.3	67.3	0	0	0	0	113	S415 L416 V421 V422 E423	S415-S419 WeakPolarHBondContact CB-OG 3.18Å; L416-S419 WeakPolarHBondContact O-CB 3.41Å; L416-S419 PolarHBondContact O-N 3.13Å; L416-S419 PolarHBondContact O-OG 3.45Å; S419-V421 PolarHBondContact O-N 3.24Å; S419-V422 PolarHBondContact O-N 3.25Å; S419-V422 PolarHBondContact OG-N 3.42Å; S419-E423 PolarHBondContact O-N 3.18Å
420	G	96.8	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-23.2	172.2	0	0	0	0	0	113.1	L373 Y424 H434 D436	L373-G420 WeakPolarHBondContact CD1-O 3.49Å; G420-Y424 WeakPolarHBondContact O-CB 3.37Å; G420-Y424 PolarHBondContact O-N 2.97Å; G420-H434 WeakPolarHBondContact CA-CE1 3.35Å; G420-D436 WeakPolarHBondContact CA-OD2 3.3Å; G420-D436 PolarHBondContact N-OD2 2.97Å
421	V	97.8	Very high	96	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-51.6	173.6	179.4	0	0	0	0	110.5	K372 L373 T376 L413 S415 S419 Y424 L425	K372-V421 HydrophobicContact CB-CG2 4Å; L373-V421 HydrophobicContact CB-CG2 4.16Å; L373-V421 HydrophobicContact CD1-CG2 4.29Å; T376-V421 HydrophobicContact CG2-CG1 4.03Å; T376-V421 WeakPolarHBondContact OG1-CG1 3.24Å; L413-V421 HydrophobicContact CB-CG1 4.4Å; L413-V421 HydrophobicContact CD1-CG1 3.94Å; L413-V421 HydrophobicContact CD2-CG1 4.27Å; L413-V421 HydrophobicContact CG-CG1 4.45Å; S415-V421 WeakPolarHBondContact OG-CG2 3.16Å; S419-V421 PolarHBondContact O-N 3.24Å; V421-Y424 PolarHBondContact O-N 3.22Å; V421-L425 HydrophobicContact CG1-CD1 4.28Å; V421-L425 WeakPolarHBondContact O-CG 3.45Å; V421-L425 PolarHBondContact O-N 2.78Å; V421-L425 VanDerWaalsContact O-N 3.1Å
422	V	97.4	Very high	95.4	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-71.6	-36.1	-178.6	176.2	0	0	0	0	110.7	L416 P417 S419 L425 S426 Y492 F494	L416-V422 WeakPolarHBondContact O-CG2 3.47Å; P417-V422 WeakPolarHBondContact O-CG1 3.5Å; S419-V422 PolarHBondContact O-N 3.25Å; S419-V422 PolarHBondContact OG-N 3.42Å; V422-L425 PolarHBondContact O-N 2.86Å; V422-S426 WeakPolarHBondContact O-CB 3.27Å; V422-S426 PolarHBondContact O-N 2.95Å; V422-S426 PolarHBondContact O-OG 3.32Å; V422-Y492 HydrophobicContact CG2-CE1 4.12Å; V422-Y492 HydrophobicContact CG2-CE2 4.13Å; V422-F494 HydrophobicContact CG1-CZ 4.38Å
423	E	96.8	Very high	94.8	Very high	81 Å²	81	34.8 Å²	34.8	38%	0.379	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-49.1	170.8	-175	-170.4	142.1	0	0	111.4	S419 L425 S426 S427 H434	S419-E423 PolarHBondContact O-N 3.18Å; E423-L425 PolarHBondContact O-N 3.31Å; E423-S426 PolarHBondContact O-N 3.3Å; E423-S427 VanDerWaalsContact O-CB 3.3Å; E423-S427 WeakPolarHBondContact O-CB 3.4Å; E423-S427 PolarHBondContact O-N 3.19Å; E423-S427 PolarHBondContact O-OG 3.34Å; E423-H434 IonicContact OE2-CD2 2.7Å; E423-H434 IonicContact OE2-NE2 3.81Å; E423-H434 PolarHBondContact OE2-NE2 3.27Å
424	Y	96.7	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.2	-51.5	179.3	174.3	-108.1	0	0	0	110.9	T376 M377 L380 G420 V421 G428 G429 V430 I462 H464	T376-Y424 HydrophobicContact CG2-CD1 3.99Å; T376-Y424 HydrophobicContact CG2-CE1 4.33Å; M377-Y424 HydrophobicContact CB-CE1 4.49Å; M377-Y424 HydrophobicContact CE-CD2 3.92Å; M377-Y424 HydrophobicContact CE-CE2 4.11Å; M377-Y424 HydrophobicContact CE-CG 4.37Å; M377-Y424 HydrophobicContact CG-CD1 4.32Å; M377-Y424 HydrophobicContact CG-CD2 4.46Å; M377-Y424 HydrophobicContact CG-CE1 3.89Å; M377-Y424 HydrophobicContact CG-CE2 4.09Å; L380-Y424 HydrophobicContact CB-CE1 4.37Å; L380-Y424 HydrophobicContact CD2-CD1 4.24Å; L380-Y424 HydrophobicContact CD2-CE1 3.56Å; G420-Y424 WeakPolarHBondContact O-CB 3.37Å; G420-Y424 PolarHBondContact O-N 2.97Å; V421-Y424 PolarHBondContact O-N 3.22Å; Y424-G428 CarbonylContact O-C 3.48Å; Y424-G428 PolarHBondContact O-N 3.13Å; Y424-G429 PolarHBondContact O-N 3.01Å; Y424-V430 HydrophobicContact CD2-CB 4.28Å; Y424-V430 HydrophobicContact CD2-CG1 3.9Å; Y424-V430 HydrophobicContact CG-CG1 4.42Å; Y424-I462 HydrophobicContact CE2-CG2 4.08Å; Y424-H464 AromaticContact CE1-CD2 3.79Å; Y424-H464 AromaticContact CE2-CD2 3.9Å; Y424-H464 AromaticContact CZ-CD2 3.6Å; Y424-H464 PolarHBondContact O-NE2 2.92Å
425	L	96.7	Very high	94.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-45.1	-179.7	-69	171.8	0	0	0	112.7	T376 L380 L409 L413 V421 V422 E423 H464 L468 F494	T376-L425 HydrophobicContact CG2-CD1 4.14Å; T376-L425 HydrophobicContact CG2-CD2 3.81Å; T376-L425 HydrophobicContact CG2-CG 3.95Å; L380-L425 HydrophobicContact CD1-CD2 3.96Å; L380-L425 HydrophobicContact CD2-CD2 3.39Å; L380-L425 HydrophobicContact CG-CD2 4.33Å; L409-L425 HydrophobicContact CD2-CD2 3.8Å; L413-L425 HydrophobicContact CD1-CD1 3.54Å; L413-L425 HydrophobicContact CD2-CD1 4.48Å; V421-L425 HydrophobicContact CG1-CD1 4.28Å; V421-L425 WeakPolarHBondContact O-CG 3.45Å; V421-L425 PolarHBondContact O-N 2.78Å; V421-L425 VanDerWaalsContact O-N 3.1Å; V422-L425 PolarHBondContact O-N 2.86Å; E423-L425 PolarHBondContact O-N 3.31Å; L425-H464 PolarHBondContact O-CE1 3.3Å; L425-H464 PolarHBondContact O-NE2 2.87Å; L425-L468 HydrophobicContact CD2-CD1 4.05Å; L425-L468 WeakPolarHBondContact O-CB 3.49Å; L425-F494 HydrophobicContact CB-CD1 4.34Å; L425-F494 HydrophobicContact CB-CE1 3.89Å; L425-F494 HydrophobicContact CB-CE2 4.24Å; L425-F494 HydrophobicContact CB-CZ 3.84Å; L425-F494 HydrophobicContact CD1-CD2 4Å; L425-F494 HydrophobicContact CD1-CE2 3.62Å; L425-F494 HydrophobicContact CD1-CZ 4.03Å
426	S	95.2	Very high	94.1	Very high	58 Å²	58	41.9 Å²	41.9	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-82	-37	-171	-53.3	0	0	0	0	113.2	V422 E423 F494	V422-S426 WeakPolarHBondContact O-CB 3.27Å; V422-S426 PolarHBondContact O-N 2.95Å; V422-S426 PolarHBondContact O-OG 3.32Å; E423-S426 PolarHBondContact O-N 3.3Å; S426-F494 WeakPolarHBondContact OG-CE1 2.95Å
427	S	93.9	Very high	93.8	Very high	62 Å²	62	38.7 Å²	38.7	43%	0.434	22%	0.22	S	C	.	.	H	α-helix	trans	-95.1	-0.9	-177	78.9	0	0	0	0	113.5	E423 G429 R461	E423-S427 VanDerWaalsContact O-CB 3.3Å; E423-S427 WeakPolarHBondContact O-CB 3.4Å; E423-S427 PolarHBondContact O-N 3.19Å; E423-S427 PolarHBondContact O-OG 3.34Å; S427-G429 VanDerWaalsContact C-N 3.3Å; S427-G429 PolarHBondContact O-N 3.48Å; S427-G429 PolarHBondContact OG-O 3.12Å; S427-R461 PolarHBondContact O-NH2 3.07Å
428	G	91.9	Very high	93.4	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	16.2	-178.9	0	0	0	0	0	113.9	Y424 T463 H464	Y424-G428 CarbonylContact O-C 3.48Å; Y424-G428 PolarHBondContact O-N 3.13Å; G428-T463 CarbonylContact O-C 3.57Å; G428-T463 VanDerWaalsContact O-CA 3.25Å; G428-T463 WeakPolarHBondContact O-CA 3.49Å; G428-T463 WeakPolarHBondContact O-CB 3.48Å; G428-H464 PolarHBondContact O-N 3.02Å
429	G	91.9	Very high	92.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	172.7	176.2	0	0	0	0	0	114	Y424 S427 R461 I462	Y424-G429 PolarHBondContact O-N 3.01Å; S427-G429 VanDerWaalsContact C-N 3.3Å; S427-G429 PolarHBondContact O-N 3.48Å; S427-G429 PolarHBondContact OG-O 3.12Å; G429-R461 PolarHBondContact O-NH1 3.16Å; G429-I462 CarbonylContact C-O 3.58Å; G429-I462 WeakPolarHBondContact CA-O 3.43Å
430	V	92.9	Very high	91.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	152	177.1	70.5	0	0	0	0	109.6	L373 M377 Y424 H434 F437 R461 I462	L373-V430 HydrophobicContact CD1-CG1 4.35Å; L373-V430 HydrophobicContact CD2-CG1 4.38Å; M377-V430 HydrophobicContact CE-CG1 3.18Å; Y424-V430 HydrophobicContact CD2-CB 4.28Å; Y424-V430 HydrophobicContact CD2-CG1 3.9Å; Y424-V430 HydrophobicContact CG-CG1 4.42Å; V430-H434 HydrophobicContact CG2-CB 3.68Å; V430-F437 HydrophobicContact CG1-CE2 4.42Å; V430-R461 VanDerWaalsContact C-CG 3.5Å; V430-R461 WeakPolarHBondContact O-CG 3.37Å; V430-I462 PolarHBondContact N-O 2.81Å; V430-I462 PolarHBondContact O-N 3.35Å
431	D	89.6	Confident	90.5	Very high	59 Å²	59	57 Å²	57	32%	0.316	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	141.2	176.2	-163	-78.8	0	0	0	111.4	T433 H434	D431-T433 PolarHBondContact O-N 3.37Å; D431-T433 WeakPolarHBondContact OD1-CA 3.47Å; D431-T433 WeakPolarHBondContact OD1-CB 3.45Å; D431-T433 PolarHBondContact OD1-N 3.46Å; D431-T433 PolarHBondContact OD1-OG1 2.82Å; D431-H434 VanDerWaalsContact O-CB 3.23Å; D431-H434 WeakPolarHBondContact O-CB 3.49Å; D431-H434 PolarHBondContact O-N 2.95Å; D431-H434 VanDerWaalsContact O-N 3.12Å
432	C	85.6	Confident	89.2	Confident	40 Å²	40	57 Å²	57	27%	0.27	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.6	178.4	70	0	0	0	0	113.4	F437 G460	C432-F437 WeakPolarHBondContact O-CD2 3.3Å; C432-G460 WeakPolarHBondContact CB-O 3.22Å; C432-G460 PolarHBondContact N-O 2.79Å; C432-G460 PolarHBondContact SG-O 3.48Å
433	T	87.4	Confident	87.7	Confident	116 Å²	116	59 Å²	59	71%	0.712	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	8.1	175.3	68.7	0	0	0	0	113.2	D431 K435	D431-T433 PolarHBondContact O-N 3.37Å; D431-T433 WeakPolarHBondContact OD1-CA 3.47Å; D431-T433 WeakPolarHBondContact OD1-CB 3.45Å; D431-T433 PolarHBondContact OD1-N 3.46Å; D431-T433 PolarHBondContact OD1-OG1 2.82Å; T433-K435 PolarHBondContact O-N 3.19Å
434	H	92.7	Very high	86.4	Confident	27 Å²	27	61.1 Å²	61.1	13%	0.125	32%	0.315	C	S	.	.			trans	-55.1	138.7	179.4	-173.6	-85.6	0	0	0	112.2	G420 E423 V430 D431 D436 F437	G420-H434 WeakPolarHBondContact CA-CE1 3.35Å; E423-H434 IonicContact OE2-CD2 2.7Å; E423-H434 IonicContact OE2-NE2 3.81Å; E423-H434 PolarHBondContact OE2-NE2 3.27Å; V430-H434 HydrophobicContact CG2-CB 3.68Å; D431-H434 VanDerWaalsContact O-CB 3.23Å; D431-H434 WeakPolarHBondContact O-CB 3.49Å; D431-H434 PolarHBondContact O-N 2.95Å; D431-H434 VanDerWaalsContact O-N 3.12Å; H434-D436 IonicContact CE1-OD1 3.71Å; H434-D436 PolarHBondContact CE1-OD1 3.42Å; H434-D436 IonicContact CE1-OD2 2.95Å; H434-D436 WeakPolarHBondContact ND1-CB 3.38Å; H434-D436 PolarHBondContact ND1-N 3.05Å; H434-D436 VanDerWaalsContact ND1-N 3.15Å; H434-D436 IonicContact ND1-OD1 3.5Å; H434-D436 PolarHBondContact O-N 3.23Å; H434-F437 HydrophobicContact CB-CD2 4.09Å; H434-F437 HydrophobicContact CB-CE2 4.33Å; H434-F437 WeakPolarHBondContact O-CB 3.03Å; H434-F437 PolarHBondContact O-N 2.98Å
435	K	93.4	Very high	85.3	Confident	142 Å²	142	61.1 Å²	61.1	62%	0.617	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-51.3	-33.7	-175	66.8	-178.9	-178.9	175.7	0	113.6	T433 F437 K438	T433-K435 PolarHBondContact O-N 3.19Å; K435-F437 PolarHBondContact O-N 3.08Å; K435-K438 PolarHBondContact O-N 2.57Å
436	D	93.7	Very high	84.4	Confident	19 Å²	19	61.2 Å²	61.2	10%	0.102	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-66.6	-19	-178	-71	15.5	0	0	0	112.8	S369 D370 L373 G420 H434 K438	S369-D436 CarbonylContact C-O 3.56Å; S369-D436 PolarHBondContact OG-O 3.37Å; D370-D436 WeakPolarHBondContact CA-O 3.3Å; D370-D436 VanDerWaalsContact CB-O 3.29Å; D370-D436 WeakPolarHBondContact CB-O 3.31Å; D370-D436 PolarHBondContact N-O 3.37Å; L373-D436 HydrophobicContact CD2-CB 4.19Å; G420-D436 WeakPolarHBondContact CA-OD2 3.3Å; G420-D436 PolarHBondContact N-OD2 2.97Å; H434-D436 IonicContact CE1-OD1 3.71Å; H434-D436 PolarHBondContact CE1-OD1 3.42Å; H434-D436 IonicContact CE1-OD2 2.95Å; H434-D436 WeakPolarHBondContact ND1-CB 3.38Å; H434-D436 PolarHBondContact ND1-N 3.05Å; H434-D436 VanDerWaalsContact ND1-N 3.15Å; H434-D436 IonicContact ND1-OD1 3.5Å; H434-D436 PolarHBondContact O-N 3.23Å; D436-K438 PolarHBondContact O-N 3.08Å
437	F	91.4	Very high	83.4	Confident	3 Å²	3	61.8 Å²	61.8	1%	0.013	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-73.9	-5.2	169.8	-69.5	-60.1	0	0	0	113.7	L373 V374 M377 V430 C432 H434 K435 E439 L440 Y442 L446 I462	L373-F437 HydrophobicContact CB-CE1 4.45Å; L373-F437 HydrophobicContact CD2-CD1 4.18Å; L373-F437 HydrophobicContact CD2-CD2 4.17Å; L373-F437 HydrophobicContact CD2-CE1 3.68Å; L373-F437 HydrophobicContact CD2-CE2 3.67Å; L373-F437 HydrophobicContact CD2-CG 4.41Å; L373-F437 HydrophobicContact CD2-CZ 3.4Å; L373-F437 VanDerWaalsContact CD2-CZ 3.4Å; L373-F437 HydrophobicContact CG-CE1 3.94Å; L373-F437 HydrophobicContact CG-CZ 3.84Å; V374-F437 HydrophobicContact CG2-CD1 4.45Å; V374-F437 HydrophobicContact CG2-CE1 3.9Å; M377-F437 HydrophobicContact CE-CE2 4.46Å; M377-F437 HydrophobicContact CE-CZ 3.67Å; M377-F437 HydrophobicContact SD-CZ 4.08Å; V430-F437 HydrophobicContact CG1-CE2 4.42Å; C432-F437 WeakPolarHBondContact O-CD2 3.3Å; H434-F437 HydrophobicContact CB-CD2 4.09Å; H434-F437 HydrophobicContact CB-CE2 4.33Å; H434-F437 WeakPolarHBondContact O-CB 3.03Å; H434-F437 PolarHBondContact O-N 2.98Å; K435-F437 PolarHBondContact O-N 3.08Å; F437-E439 PolarHBondContact O-N 3.38Å; F437-L440 VanDerWaalsContact O-CB 3.25Å; F437-L440 WeakPolarHBondContact O-CB 3.23Å; F437-L440 WeakPolarHBondContact O-CG 3.28Å; F437-L440 PolarHBondContact O-N 3.41Å; F437-Y442 AromaticContact CD1-CD2 3.97Å; F437-Y442 HydrophobicContact CD1-CD2 3.97Å; F437-L446 HydrophobicContact CD1-CD1 4.23Å; F437-L446 HydrophobicContact CE1-CD1 3.52Å; F437-L446 HydrophobicContact CE2-CD1 4.43Å; F437-L446 HydrophobicContact CZ-CD1 3.63Å; F437-I462 HydrophobicContact CZ-CD1 4.25Å
438	K	88.4	Confident	82.7	Confident	80 Å²	80	62.3 Å²	62.3	35%	0.348	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	35.6	176.7	-61.6	-169.8	164.7	-160.3	0	113.9	E367 K435 D436 L440	E367-K438 VanDerWaalsContact O-CE 3.31Å; E367-K438 WeakPolarHBondContact O-CE 3.46Å; E367-K438 PolarHBondContact O-NZ 2.86Å; E367-K438 IonicContact OE2-NZ 3.74Å; E367-K438 PolarHBondContact OE2-NZ 2.9Å; K435-K438 PolarHBondContact O-N 2.57Å; D436-K438 PolarHBondContact O-N 3.08Å; K438-L440 HydrophobicContact CB-CD1 4.33Å; K438-L440 HydrophobicContact CB-CG 4.32Å; K438-L440 PolarHBondContact O-N 3.42Å
439	E	79.9	Confident	82.2	Confident	196 Å²	196	62 Å²	62	92%	0.916	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	14.2	-176.3	-54.4	179.3	175	0	0	114.5	F437	F437-E439 PolarHBondContact O-N 3.38Å
440	L	78.1	Confident	81.7	Confident	61 Å²	61	63 Å²	63	32%	0.319	31%	0.312	S	S	.	.			trans	-74.6	138.5	178.4	-62.4	169.8	0	0	0	110.2	A315 D370 F437 K438 Y442	A315-L440 HydrophobicContact CB-CB 4.32Å; A315-L440 HydrophobicContact CB-CD1 4.47Å; D370-L440 HydrophobicContact CB-CD1 4.43Å; D370-L440 VanDerWaalsContact OD2-CD1 3.3Å; D370-L440 WeakPolarHBondContact OD2-CD1 3.38Å; F437-L440 VanDerWaalsContact O-CB 3.25Å; F437-L440 WeakPolarHBondContact O-CB 3.23Å; F437-L440 WeakPolarHBondContact O-CG 3.28Å; F437-L440 PolarHBondContact O-N 3.41Å; K438-L440 HydrophobicContact CB-CD1 4.33Å; K438-L440 HydrophobicContact CB-CG 4.32Å; K438-L440 PolarHBondContact O-N 3.42Å; L440-Y442 VanDerWaalsContact C-N 3.3Å; L440-Y442 HydrophobicContact CB-CD2 3.66Å; L440-Y442 HydrophobicContact CB-CE2 3.46Å; L440-Y442 VanDerWaalsContact CB-CE2 3.46Å; L440-Y442 HydrophobicContact CD1-CE2 3.65Å; L440-Y442 HydrophobicContact CG-CE2 4.2Å; L440-Y442 PolarHBondContact O-N 3.15Å
441	R	68.2	Low	80.9	Confident	226 Å²	226	63.5 Å²	63.5	85%	0.853	32%	0.315	S	S	*	.			trans	-76.1	80.5	178.3	-65.3	-172.7	-177	-176.5	1.3	111.1	S313	S313-R441 PolarHBondContact OG-O 3.12Å
442	Y	72.2	Confident	79.8	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.008	32%	0.319	C	S	.	.			trans	-96	-15.8	169.3	-70	-74.4	0	0	0	113	A315 M316 V320 D370 V374 F437 L440 D444 S445 L446	A315-Y442 HydrophobicContact CB-CD1 4.1Å; A315-Y442 HydrophobicContact CB-CE1 3.47Å; A315-Y442 VanDerWaalsContact CB-CE1 3.47Å; A315-Y442 HydrophobicContact CB-CE2 4.1Å; A315-Y442 VanDerWaalsContact CB-CZ 3.47Å; M316-Y442 HydrophobicContact CE-CD1 4.21Å; V320-Y442 HydrophobicContact CG2-CE1 4.05Å; D370-Y442 HydrophobicContact CB-CE2 3.89Å; D370-Y442 PolarHBondContact OD2-OH 3.03Å; V374-Y442 HydrophobicContact CG2-CD1 4.47Å; V374-Y442 HydrophobicContact CG2-CE1 4.48Å; F437-Y442 AromaticContact CD1-CD2 3.97Å; F437-Y442 HydrophobicContact CD1-CD2 3.97Å; L440-Y442 VanDerWaalsContact C-N 3.3Å; L440-Y442 HydrophobicContact CB-CD2 3.66Å; L440-Y442 HydrophobicContact CB-CE2 3.46Å; L440-Y442 VanDerWaalsContact CB-CE2 3.46Å; L440-Y442 HydrophobicContact CD1-CE2 3.65Å; L440-Y442 HydrophobicContact CG-CE2 4.2Å; L440-Y442 PolarHBondContact O-N 3.15Å; Y442-D444 VanDerWaalsContact C-N 3.32Å; Y442-D444 PolarHBondContact O-N 3.34Å; Y442-S445 PolarHBondContact O-N 2.83Å; Y442-S445 VanDerWaalsContact O-N 3.09Å; Y442-L446 HydrophobicContact CG-CD1 4.35Å; Y442-L446 WeakPolarHBondContact O-CG 3.21Å; Y442-L446 PolarHBondContact O-N 3.05Å
443	S	64.4	Low	78.5	Confident	54 Å²	54	64 Å²	64	38%	0.378	32%	0.324	S	S	.	.	H	α-helix	trans	-45.4	-48.2	-163.5	54.5	0	0	0	0	114.7	L446 T447	S443-L446 PolarHBondContact O-N 3.44Å; S443-T447 WeakPolarHBondContact O-CG2 3.18Å; S443-T447 PolarHBondContact O-N 3.35Å
444	D	70.4	Confident	76.6	Confident	126 Å²	126	67.2 Å²	67.2	67%	0.674	33%	0.328	S	S	*	.	H	α-helix	trans	-72.2	-41.3	-172.3	-58.4	-11.7	0	0	0	111	Y442 T447	Y442-D444 VanDerWaalsContact C-N 3.32Å; Y442-D444 PolarHBondContact O-N 3.34Å; D444-T447 PolarHBondContact O-OG1 2.82Å
445	S	74.1	Confident	74.3	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.007	37%	0.365	C	S	.	.	H	α-helix	trans	-70.5	-34.6	177.5	-49.5	0	0	0	0	112.3	N309 E311 S313 Y442 T447 K448	N309-S445 WeakPolarHBondContact O-CB 3.37Å; E311-S445 PolarHBondContact O-OG 3.25Å; S313-S445 WeakPolarHBondContact CB-OG 3.24Å; Y442-S445 PolarHBondContact O-N 2.83Å; Y442-S445 VanDerWaalsContact O-N 3.09Å; S445-T447 VanDerWaalsContact C-N 3.3Å; S445-T447 PolarHBondContact O-N 3.38Å; S445-K448 WeakPolarHBondContact O-CB 3.35Å; S445-K448 WeakPolarHBondContact O-CG 3.46Å; S445-K448 PolarHBondContact O-N 3.34Å
446	L	76.4	Confident	72	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-71.1	-22.6	-177.6	-65.5	176.3	0	0	0	114	M316 V374 M377 F437 Y442 S443 K448 F449 I462	M316-L446 HydrophobicContact CE-CD2 4.17Å; V374-L446 HydrophobicContact CB-CD2 4.46Å; V374-L446 HydrophobicContact CG1-CD2 4.01Å; V374-L446 HydrophobicContact CG2-CD2 3.78Å; M377-L446 HydrophobicContact SD-CD2 4.34Å; F437-L446 HydrophobicContact CD1-CD1 4.23Å; F437-L446 HydrophobicContact CE1-CD1 3.52Å; F437-L446 HydrophobicContact CE2-CD1 4.43Å; F437-L446 HydrophobicContact CZ-CD1 3.63Å; Y442-L446 HydrophobicContact CG-CD1 4.35Å; Y442-L446 WeakPolarHBondContact O-CG 3.21Å; Y442-L446 PolarHBondContact O-N 3.05Å; S443-L446 PolarHBondContact O-N 3.44Å; L446-K448 PolarHBondContact O-N 3.27Å; L446-K448 VanDerWaalsContact O-N 3.1Å; L446-F449 HydrophobicContact CD2-CD2 3.89Å; L446-F449 HydrophobicContact CD2-CE2 4.12Å; L446-F449 PolarHBondContact O-N 3.38Å; L446-I462 HydrophobicContact CB-CD1 3.54Å; L446-I462 HydrophobicContact CB-CG1 4.37Å; L446-I462 HydrophobicContact CD1-CD1 3.63Å; L446-I462 HydrophobicContact CG-CD1 4.16Å
447	T	75.6	Confident	69.8	Low	71 Å²	71	73 Å²	73	44%	0.436	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27.1	174.1	63	0	0	0	0	112.4	S443 D444 S445 F449 N450	S443-T447 WeakPolarHBondContact O-CG2 3.18Å; S443-T447 PolarHBondContact O-N 3.35Å; D444-T447 PolarHBondContact O-OG1 2.82Å; S445-T447 VanDerWaalsContact C-N 3.3Å; S445-T447 PolarHBondContact O-N 3.38Å; T447-F449 PolarHBondContact O-N 3.09Å; T447-N450 WeakPolarHBondContact O-CB 3.4Å; T447-N450 PolarHBondContact O-N 3.18Å
448	K	79	Confident	67.8	Low	73 Å²	73	76.3 Å²	76.3	32%	0.317	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.4	176.3	-60.6	-177.7	179.8	179.2	0	112.8	N309 E311 S445 L446	N309-K448 HydrophobicContact CB-CD 4.12Å; N309-K448 WeakPolarHBondContact OD1-CD 3.44Å; E311-K448 IonicContact OE2-NZ 3.03Å; E311-K448 PolarHBondContact OE2-NZ 3.29Å; S445-K448 WeakPolarHBondContact O-CB 3.35Å; S445-K448 WeakPolarHBondContact O-CG 3.46Å; S445-K448 PolarHBondContact O-N 3.34Å; L446-K448 PolarHBondContact O-N 3.27Å; L446-K448 VanDerWaalsContact O-N 3.1Å
449	F	81.2	Confident	66.3	Low	5 Å²	5	79.6 Å²	79.6	2%	0.022	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-95.3	2	179.2	-51	-54.3	0	0	0	113.7	N309 M316 M377 M378 L446 T447 C451	N309-F449 HydrophobicContact CB-CE1 4.01Å; N309-F449 HydrophobicContact CB-CE2 4.38Å; N309-F449 HydrophobicContact CB-CZ 3.5Å; N309-F449 VanDerWaalsContact CB-CZ 3.5Å; M316-F449 HydrophobicContact CE-CE2 3.97Å; M377-F449 HydrophobicContact CB-CB 4.22Å; M378-F449 HydrophobicContact CB-CE1 4.48Å; M378-F449 HydrophobicContact CG-CD1 4.04Å; M378-F449 HydrophobicContact CG-CD2 4.21Å; M378-F449 HydrophobicContact CG-CE1 3.61Å; M378-F449 HydrophobicContact CG-CE2 3.78Å; M378-F449 HydrophobicContact CG-CG 4.33Å; M378-F449 HydrophobicContact CG-CZ 3.45Å; M378-F449 VanDerWaalsContact CG-CZ 3.45Å; M378-F449 HydrophobicContact SD-CE1 4.41Å; M378-F449 HydrophobicContact SD-CE2 4.42Å; M378-F449 HydrophobicContact SD-CZ 3.9Å; L446-F449 HydrophobicContact CD2-CD2 3.89Å; L446-F449 HydrophobicContact CD2-CE2 4.12Å; L446-F449 PolarHBondContact O-N 3.38Å; T447-F449 PolarHBondContact O-N 3.09Å; F449-C451 PolarHBondContact O-N 2.95Å
450	N	82.1	Confident	66.1	Low	21 Å²	21	72.1 Å²	72.1	11%	0.112	39%	0.394	C	S	.	.			trans	-69.9	113.8	174.7	-169.4	-1.5	0	0	0	110.4	T447 N452 T463	T447-N450 WeakPolarHBondContact O-CB 3.4Å; T447-N450 PolarHBondContact O-N 3.18Å; N450-N452 VanDerWaalsContact C-N 3.28Å; N450-N452 PolarHBondContact O-N 3Å; N450-N452 PolarHBondContact OD1-N 2.84Å; N450-T463 PolarHBondContact OD1-N 2.76Å; N450-T463 PolarHBondContact OD1-O 3.4Å; N450-T463 PolarHBondContact OD1-OG1 2.97Å
451	C	74.3	Confident	66.4	Low	11 Å²	11	73.6 Å²	73.6	7%	0.074	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.2	-174.7	-74.2	0	0	0	0	113.2	K384 F449 T463 H464	K384-C451 HydrophobicContact CD-CB 3.46Å; K384-C451 VanDerWaalsContact CD-CB 3.46Å; K384-C451 WeakPolarHBondContact CD-O 3.19Å; K384-C451 WeakPolarHBondContact CE-O 3.22Å; F449-C451 PolarHBondContact O-N 2.95Å; C451-T463 WeakPolarHBondContact CB-O 3.45Å; C451-T463 PolarHBondContact N-O 2.89Å; C451-T463 VanDerWaalsContact N-O 3.09Å; C451-H464 HydrophobicContact CB-CB 4.04Å
452	N	66.9	Low	67.3	Low	74 Å²	74	63.2 Å²	63.2	40%	0.396	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.7	-175.8	-67.1	-28.9	0	0	0	114.1	N450 T463	N450-N452 VanDerWaalsContact C-N 3.28Å; N450-N452 PolarHBondContact O-N 3Å; N450-N452 PolarHBondContact OD1-N 2.84Å; N452-T463 PolarHBondContact ND2-OG1 3.32Å
453	G	57.8	Low	68.2	Low	36 Å²	36	64 Å²	64	37%	0.371	36%	0.362	S	S	.	.			trans	97.3	156.7	170.8	0	0	0	0	0	115.4	N455 S456	G453-N455 VanDerWaalsContact C-N 3.29Å; G453-N455 PolarHBondContact O-N 3.07Å; G453-S456 PolarHBondContact O-N 3.24Å
454	K	49.4	Very low	69.5	Low	182 Å²	182	61.8 Å²	61.8	79%	0.791	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.5	-173.1	-67.6	-175.5	177.6	-177.5	0	114.8	S456	K454-S456 VanDerWaalsContact C-N 3.34Å
455	N	43.3	Very low	70.4	Confident	168 Å²	168	56.4 Å²	56.4	90%	0.898	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	0.2	-178.3	-68.4	-3.2	0	0	0	113.5	G453	G453-N455 VanDerWaalsContact C-N 3.29Å; G453-N455 PolarHBondContact O-N 3.07Å
456	S	45.2	Very low	71.2	Confident	41 Å²	41	56.5 Å²	56.5	29%	0.287	32%	0.32	S	S	.	.			trans	-102.3	38.1	175.1	179.6	0	0	0	0	111.1	G453 K454 S458	G453-S456 PolarHBondContact O-N 3.24Å; K454-S456 VanDerWaalsContact C-N 3.34Å; S456-S458 PolarHBondContact O-N 3.27Å; S456-S458 PolarHBondContact OG-OG 2.98Å
457	T	47.8	Very low	72	Confident	101 Å²	101	61.5 Å²	61.5	62%	0.62	34%	0.342	S	S	*	.			trans	-70.2	54	157.2	51	0	0	0	0	109.4	N459	T457-N459 PolarHBondContact O-N 3.25Å
458	S	48.6	Very low	73	Confident	73 Å²	73	58.5 Å²	58.5	51%	0.51	32%	0.323	S	S	.	.	S	Bend	trans	-79.4	94.5	164	38.6	0	0	0	0	106.4	S456	S456-S458 PolarHBondContact O-N 3.27Å; S456-S458 PolarHBondContact OG-OG 2.98Å
459	N	57.5	Low	73.8	Confident	149 Å²	149	58.1 Å²	58.1	80%	0.797	32%	0.321	S	S	*	.	S	Bend	trans	80.3	38.8	160.3	-48.9	-16	0	0	0	118.3	T457 R461	T457-N459 PolarHBondContact O-N 3.25Å; N459-R461 PolarHBondContact O-N 3.35Å; N459-R461 VanDerWaalsContact O-N 3.15Å
460	G	74.8	Confident	74.6	Confident	39 Å²	39	58.6 Å²	58.6	40%	0.402	33%	0.325	S	S	.	.	S	Bend	trans	68	18.6	168.1	0	0	0	0	0	115.4	C432	C432-G460 WeakPolarHBondContact CB-O 3.22Å; C432-G460 PolarHBondContact N-O 2.79Å; C432-G460 PolarHBondContact SG-O 3.48Å
461	R	85.2	Confident	75.3	Confident	91 Å²	91	57.7 Å²	57.7	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	-179.6	-145.8	173.6	99.3	94.4	0.1	111.5	S427 G429 V430 N459 T463	S427-R461 PolarHBondContact O-NH2 3.07Å; G429-R461 PolarHBondContact O-NH1 3.16Å; V430-R461 VanDerWaalsContact C-CG 3.5Å; V430-R461 WeakPolarHBondContact O-CG 3.37Å; N459-R461 PolarHBondContact O-N 3.35Å; N459-R461 VanDerWaalsContact O-N 3.15Å; R461-T463 HydrophobicContact CB-CG2 4.32Å; R461-T463 HydrophobicContact CG-CG2 4.4Å
462	I	86.8	Confident	76.3	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.7	173.5	-59.1	157.7	0	0	0	107.4	M377 Y424 G429 V430 F437 L446	M377-I462 HydrophobicContact CE-CB 4.04Å; M377-I462 HydrophobicContact CE-CD1 3.75Å; M377-I462 HydrophobicContact CE-CG2 4.03Å; M377-I462 HydrophobicContact CG-CG2 4.45Å; M377-I462 HydrophobicContact SD-CB 4.46Å; M377-I462 HydrophobicContact SD-CD1 3.76Å; M377-I462 HydrophobicContact SD-CG2 3.97Å; Y424-I462 HydrophobicContact CE2-CG2 4.08Å; G429-I462 CarbonylContact C-O 3.58Å; G429-I462 WeakPolarHBondContact CA-O 3.43Å; V430-I462 PolarHBondContact N-O 2.81Å; V430-I462 PolarHBondContact O-N 3.35Å; F437-I462 HydrophobicContact CZ-CD1 4.25Å; L446-I462 HydrophobicContact CB-CD1 3.54Å; L446-I462 HydrophobicContact CB-CG1 4.37Å; L446-I462 HydrophobicContact CD1-CD1 3.63Å; L446-I462 HydrophobicContact CG-CD1 4.16Å
463	T	90.9	Very high	77.2	Confident	19 Å²	19	58.1 Å²	58.1	12%	0.117	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	160	-168	67.3	0	0	0	0	114	G428 N450 C451 N452 R461	G428-T463 CarbonylContact O-C 3.57Å; G428-T463 VanDerWaalsContact O-CA 3.25Å; G428-T463 WeakPolarHBondContact O-CA 3.49Å; G428-T463 WeakPolarHBondContact O-CB 3.48Å; N450-T463 PolarHBondContact OD1-N 2.76Å; N450-T463 PolarHBondContact OD1-O 3.4Å; N450-T463 PolarHBondContact OD1-OG1 2.97Å; C451-T463 WeakPolarHBondContact CB-O 3.45Å; C451-T463 PolarHBondContact N-O 2.89Å; C451-T463 VanDerWaalsContact N-O 3.09Å; N452-T463 PolarHBondContact ND2-OG1 3.32Å; R461-T463 HydrophobicContact CB-CG2 4.32Å; R461-T463 HydrophobicContact CG-CG2 4.4Å
464	H	92.1	Very high	77.9	Confident	7 Å²	7	63.5 Å²	63.5	3%	0.032	34%	0.341	C	S	.	.			trans	-139.6	154.1	170	72.7	80.3	0	0	0	113.4	Y424 L425 G428 C451 F466	Y424-H464 AromaticContact CE1-CD2 3.79Å; Y424-H464 AromaticContact CE2-CD2 3.9Å; Y424-H464 AromaticContact CZ-CD2 3.6Å; Y424-H464 PolarHBondContact O-NE2 2.92Å; L425-H464 PolarHBondContact O-CE1 3.3Å; L425-H464 PolarHBondContact O-NE2 2.87Å; G428-H464 PolarHBondContact O-N 3.02Å; C451-H464 HydrophobicContact CB-CB 4.04Å; H464-F466 HydrophobicContact CB-CD2 4.17Å; H464-F466 AromaticContact ND1-CD2 3.77Å; H464-F466 PolarHBondContact ND1-N 3.32Å
465	G	89.4	Confident	79.3	Confident	13 Å²	13	58.3 Å²	58.3	13%	0.134	34%	0.339	C	S	.	.	S	Bend	trans	-91.6	-2.7	-175.6	0	0	0	0	0	115.9	N403 K467	N403-G465 VanDerWaalsContact ND2-C 3.3Å; N403-G465 PolarHBondContact ND2-O 2.88Å; N403-G465 VanDerWaalsContact ND2-O 3.13Å; G465-K467 VanDerWaalsContact C-N 3.28Å; G465-K467 PolarHBondContact O-N 3.08Å
466	F	91.2	Very high	81.5	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.013	31%	0.308	C	S	.	.			trans	-65.2	-16.4	-171.2	-66.2	-71	0	0	0	117.4	L380 V383 K384 V387 N403 L407 H464 L468 S496	L380-F466 HydrophobicContact CB-CE2 4.47Å; L380-F466 HydrophobicContact CG-CD2 4.31Å; L380-F466 HydrophobicContact CG-CE2 4.34Å; V383-F466 HydrophobicContact CB-CZ 4.46Å; V383-F466 HydrophobicContact CG1-CE1 4.23Å; V383-F466 HydrophobicContact CG1-CE2 4.41Å; V383-F466 HydrophobicContact CG1-CZ 3.79Å; K384-F466 HydrophobicContact CB-CE2 4.1Å; K384-F466 HydrophobicContact CB-CZ 3.81Å; V387-F466 HydrophobicContact CG2-CE1 4.34Å; N403-F466 VanDerWaalsContact ND2-CA 3.29Å; N403-F466 WeakPolarHBondContact ND2-CA 3.45Å; N403-F466 WeakPolarHBondContact ND2-CD1 3.34Å; N403-F466 PolarHBondContact ND2-N 3.05Å; L407-F466 HydrophobicContact CB-CD1 4.26Å; L407-F466 HydrophobicContact CD2-CD1 3.75Å; L407-F466 HydrophobicContact CD2-CD2 4.4Å; L407-F466 HydrophobicContact CD2-CE1 3.96Å; L407-F466 HydrophobicContact CD2-CG 3.99Å; L407-F466 HydrophobicContact CD2-CZ 4.37Å; H464-F466 HydrophobicContact CB-CD2 4.17Å; H464-F466 AromaticContact ND1-CD2 3.77Å; H464-F466 PolarHBondContact ND1-N 3.32Å; F466-L468 VanDerWaalsContact C-N 3.32Å; F466-L468 HydrophobicContact CB-CD1 4.13Å; F466-L468 HydrophobicContact CB-CD2 3.78Å; F466-L468 HydrophobicContact CB-CG 3.63Å; F466-L468 PolarHBondContact O-N 2.79Å; F466-S496 PolarHBondContact O-OG 3.07Å
467	K	93.9	Very high	83.7	Confident	107 Å²	107	50.9 Å²	50.9	47%	0.465	30%	0.296	S	S	.	.			trans	46.4	54.4	-178.6	-62.7	174.4	-179.5	175.2	0	111.5	E401 G465 K497 P498	E401-K467 IonicContact OE2-NZ 2.88Å; G465-K467 VanDerWaalsContact C-N 3.28Å; G465-K467 PolarHBondContact O-N 3.08Å; K467-K497 PolarHBondContact O-N 3.16Å; K467-K497 VanDerWaalsContact O-N 3.14Å; K467-P498 HydrophobicContact CB-CG 3.95Å; K467-P498 HydrophobicContact CD-CG 3.56Å; K467-P498 HydrophobicContact CG-CG 4.4Å
468	L	95.8	Very high	85.9	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147.5	-173.7	-59	174	0	0	0	111.4	L380 L407 L409 L425 F466 F494 Y495	L380-L468 HydrophobicContact CD2-CD1 4.49Å; L407-L468 HydrophobicContact CD2-CD2 4.19Å; L409-L468 HydrophobicContact CD2-CD1 4.2Å; L425-L468 HydrophobicContact CD2-CD1 4.05Å; L425-L468 WeakPolarHBondContact O-CB 3.49Å; F466-L468 VanDerWaalsContact C-N 3.32Å; F466-L468 HydrophobicContact CB-CD1 4.13Å; F466-L468 HydrophobicContact CB-CD2 3.78Å; F466-L468 HydrophobicContact CB-CG 3.63Å; F466-L468 PolarHBondContact O-N 2.79Å; L468-F494 HydrophobicContact CB-CB 4.3Å; L468-F494 HydrophobicContact CB-CD1 3.83Å; L468-F494 HydrophobicContact CB-CG 4.45Å; L468-F494 HydrophobicContact CD1-CB 4.34Å; L468-Y495 VanDerWaalsContact CA-O 3.31Å; L468-Y495 WeakPolarHBondContact CA-O 3.26Å
469	K	96.5	Very high	88.2	Confident	65 Å²	65	47.3 Å²	47.3	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.9	167.1	-168.8	-176.2	172.2	-156.5	0	108.7	D473 F494 Y495 K497	K469-D473 WeakPolarHBondContact CE-OD1 3.44Å; K469-D473 IonicContact NZ-OD1 2.68Å; K469-D473 PolarHBondContact NZ-OD1 2.99Å; K469-D473 IonicContact NZ-OD2 3.06Å; K469-D473 PolarHBondContact NZ-OD2 3.1Å; K469-F494 VanDerWaalsContact C-CD1 3.47Å; K469-F494 WeakPolarHBondContact O-CA 3.37Å; K469-Y495 HydrophobicContact CB-CE1 3.9Å; K469-Y495 HydrophobicContact CB-CE2 4.48Å; K469-Y495 HydrophobicContact CG-CE1 4.33Å; K469-Y495 PolarHBondContact N-O 3Å; K469-Y495 WeakPolarHBondContact O-CD1 3.08Å; K469-Y495 VanDerWaalsContact O-CE1 3.29Å; K469-Y495 WeakPolarHBondContact O-CE1 3.38Å; K469-Y495 PolarHBondContact O-N 3.46Å; K469-K497 HydrophobicContact CB-CB 4.37Å; K469-K497 HydrophobicContact CD-CD 4.45Å
470	S	97.3	Very high	90.1	Very high	15 Å²	15	40.2 Å²	40.2	11%	0.105	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.7	169.4	178.5	0	0	0	0	109.6	Y472	S470-Y472 PolarHBondContact OG-N 2.83Å; S470-Y472 PolarHBondContact OG-O 3.44Å
471	A	97	Very high	91.2	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	22%	0.215	C	C	.	.	S	Bend	trans	-68.3	-27.6	172.2	0	0	0	0	0	112.1	I493 Y495 V502 A536	A471-I493 HydrophobicContact CB-CB 4.16Å; A471-I493 HydrophobicContact CB-CG2 4.26Å; A471-I493 WeakPolarHBondContact CB-O 3.3Å; A471-I493 PolarHBondContact N-O 2.81Å; A471-Y495 HydrophobicContact CB-CD1 4.28Å; A471-Y495 HydrophobicContact CB-CE1 4.4Å; A471-V502 HydrophobicContact CB-CG1 4.34Å; A471-V502 HydrophobicContact CB-CG2 3.99Å; A471-A536 HydrophobicContact CB-CB 3.97Å
472	Y	95.9	Very high	91.8	Very high	20 Å²	20	35.7 Å²	35.7	8%	0.078	20%	0.203	C	C	.	.	S	Bend	trans	-101.4	100.3	174.7	-72.8	-104.8	0	0	0	108.3	S470 M477 I505 L506 L534 Y535	S470-Y472 PolarHBondContact OG-N 2.83Å; S470-Y472 PolarHBondContact OG-O 3.44Å; Y472-M477 HydrophobicContact CD1-CB 3.86Å; Y472-M477 HydrophobicContact CD1-SD 4.21Å; Y472-M477 HydrophobicContact CE1-CB 4.25Å; Y472-M477 HydrophobicContact CE1-SD 3.79Å; Y472-I505 HydrophobicContact CD1-CD1 3.52Å; Y472-I505 HydrophobicContact CD2-CG2 4.37Å; Y472-I505 HydrophobicContact CE1-CB 4.11Å; Y472-I505 HydrophobicContact CE1-CD1 3.46Å; Y472-I505 VanDerWaalsContact CE1-CD1 3.46Å; Y472-I505 HydrophobicContact CE1-CG1 4.31Å; Y472-I505 HydrophobicContact CE2-CB 4.2Å; Y472-I505 HydrophobicContact CE2-CG2 4.03Å; Y472-I505 HydrophobicContact CG-CD1 4.21Å; Y472-L506 WeakPolarHBondContact CE1-O 3.46Å; Y472-L506 PolarHBondContact OH-O 3.49Å; Y472-L534 HydrophobicContact CD1-CD2 4.26Å; Y472-L534 HydrophobicContact CD2-CD1 4.42Å; Y472-L534 HydrophobicContact CD2-CD2 4.1Å; Y472-L534 HydrophobicContact CE1-CD2 3.92Å; Y472-L534 HydrophobicContact CE2-CB 3.85Å; Y472-L534 HydrophobicContact CE2-CD1 4.46Å; Y472-L534 HydrophobicContact CE2-CD2 3.78Å; Y472-L534 HydrophobicContact CE2-CG 4.25Å; Y472-L534 HydrophobicContact CG-CD2 4.34Å; Y472-Y535 PolarHBondContact OH-N 3.48Å; Y472-Y535 PolarHBondContact OH-O 2.72Å
473	D	83.9	Confident	92.3	Very high	73 Å²	73	36.2 Å²	36.2	39%	0.39	21%	0.206	S	C	.	.			trans	-68.8	159.7	170.7	-78.3	-28.2	0	0	0	110.7	K469 G475 L476	K469-D473 WeakPolarHBondContact CE-OD1 3.44Å; K469-D473 IonicContact NZ-OD1 2.68Å; K469-D473 PolarHBondContact NZ-OD1 2.99Å; K469-D473 IonicContact NZ-OD2 3.06Å; K469-D473 PolarHBondContact NZ-OD2 3.1Å; D473-G475 PolarHBondContact O-N 3.32Å; D473-L476 HydrophobicContact CB-CD1 4.15Å; D473-L476 PolarHBondContact O-N 3.16Å
474	N	73.3	Confident	92.4	Very high	150 Å²	150	37.3 Å²	37.3	80%	0.802	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	124.4	-175.9	-75	-13.4	0	0	0	112.1
475	G	78.1	Confident	92.4	Very high	72 Å²	72	43.2 Å²	43.2	74%	0.742	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.9	-10.1	174.5	0	0	0	0	0	115.6	D473 M477	D473-G475 PolarHBondContact O-N 3.32Å; G475-M477 VanDerWaalsContact C-N 3.33Å
476	L	90	Very high	92.7	Very high	45 Å²	45	46.2 Å²	46.2	24%	0.236	25%	0.251	C	S	.	.	S	Bend	trans	-69.2	-33.4	176.3	-67.5	176.8	0	0	0	112.4	L177 D473 I505 P508	L177-L476 HydrophobicContact CD2-CD1 4.15Å; D473-L476 HydrophobicContact CB-CD1 4.15Å; D473-L476 PolarHBondContact O-N 3.16Å; L476-I505 HydrophobicContact CB-CD1 3.92Å; L476-I505 HydrophobicContact CD1-CD1 3.7Å; L476-I505 HydrophobicContact CG-CD1 4.33Å; L476-P508 WeakPolarHBondContact O-CD 3.33Å
477	M	92.5	Very high	93	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.044	27%	0.269	C	S	.	.			trans	-133.3	117.7	175.3	-166.3	154.6	-176	0	0	108.2	Y472 G475 Y479 T480 V489 P508 F532 L534	Y472-M477 HydrophobicContact CD1-CB 3.86Å; Y472-M477 HydrophobicContact CD1-SD 4.21Å; Y472-M477 HydrophobicContact CE1-CB 4.25Å; Y472-M477 HydrophobicContact CE1-SD 3.79Å; G475-M477 VanDerWaalsContact C-N 3.33Å; M477-Y479 VanDerWaalsContact C-N 3.29Å; M477-Y479 VanDerWaalsContact CG-O 3.31Å; M477-Y479 WeakPolarHBondContact CG-O 3.29Å; M477-Y479 PolarHBondContact O-N 2.98Å; M477-T480 HydrophobicContact CG-CG2 4.5Å; M477-T480 HydrophobicContact SD-CG2 4.35Å; M477-V489 VanDerWaalsContact O-CG2 3.28Å; M477-V489 WeakPolarHBondContact O-CG2 3.34Å; M477-P508 HydrophobicContact CG-CB 4.45Å; M477-F532 HydrophobicContact CE-CB 3.44Å; M477-F532 VanDerWaalsContact CE-CB 3.44Å; M477-F532 HydrophobicContact CE-CG 4.25Å; M477-L534 HydrophobicContact CE-CD2 4.28Å; M477-L534 HydrophobicContact SD-CD2 3.48Å; M477-L534 WeakPolarHBondContact SD-CD2 3.38Å
478	P	93.8	Very high	93.1	Very high	69 Å²	69	45.5 Å²	45.5	45%	0.448	25%	0.25	S	C	.	.	S	Bend	trans	-72.1	-26.1	-174.1	27.4	-34.1	0	0	0	112.8
479	Y	96.1	Very high	93.2	Very high	29 Å²	29	46.2 Å²	46.2	11%	0.114	25%	0.254	C	S	.	.			trans	-156.9	148.1	-179.8	39.2	-103	0	0	0	109.8	M477 Y482 L514 F532	M477-Y479 VanDerWaalsContact C-N 3.29Å; M477-Y479 VanDerWaalsContact CG-O 3.31Å; M477-Y479 WeakPolarHBondContact CG-O 3.29Å; M477-Y479 PolarHBondContact O-N 2.98Å; Y479-Y482 AromaticContact CD1-CD2 3.99Å; Y479-Y482 HydrophobicContact CD1-CD2 3.99Å; Y479-Y482 HydrophobicContact CD1-CE2 4.36Å; Y479-Y482 AromaticContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CG 4.27Å; Y479-Y482 AromaticContact CE1-CD2 3.9Å; Y479-Y482 HydrophobicContact CE1-CD2 3.9Å; Y479-Y482 AromaticContact CE1-CE2 3.9Å; Y479-Y482 HydrophobicContact CE1-CE2 3.9Å; Y479-Y482 AromaticContact CE2-CD2 3.53Å; Y479-Y482 HydrophobicContact CE2-CD2 3.53Å; Y479-Y482 HydrophobicContact CE2-CE2 4.07Å; Y479-Y482 HydrophobicContact CE2-CG 4.27Å; Y479-Y482 AromaticContact CG-CD2 3.87Å; Y479-Y482 HydrophobicContact CG-CD2 3.87Å; Y479-Y482 AromaticContact CZ-CD2 3.68Å; Y479-Y482 AromaticContact CZ-CE2 3.74Å; Y479-L514 HydrophobicContact CE2-CD1 4.45Å; Y479-L514 WeakPolarHBondContact OH-CD1 3.3Å; Y479-F532 AromaticContact CD2-CD2 3.9Å; Y479-F532 HydrophobicContact CD2-CD2 3.9Å; Y479-F532 AromaticContact CD2-CE2 3.7Å; Y479-F532 HydrophobicContact CD2-CE2 3.7Å; Y479-F532 HydrophobicContact CE2-CD2 4.09Å; Y479-F532 AromaticContact CE2-CE2 3.53Å; Y479-F532 HydrophobicContact CE2-CE2 3.53Å; Y479-F532 HydrophobicContact CE2-CZ 4.4Å
480	T	97.8	Very high	93.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.242	C	C	.	.	S	Bend	trans	-109.7	-37.2	169.8	63.6	0	0	0	0	110.2	M477 G488 V489 I490 D491 H531 F532 L534	M477-T480 HydrophobicContact CG-CG2 4.5Å; M477-T480 HydrophobicContact SD-CG2 4.35Å; T480-G488 PolarHBondContact N-O 3.06Å; T480-G488 PolarHBondContact OG1-O 3.39Å; T480-V489 HydrophobicContact CG2-CB 4.39Å; T480-V489 HydrophobicContact CG2-CG1 3.95Å; T480-V489 HydrophobicContact CG2-CG2 4.42Å; T480-I490 PolarHBondContact OG1-N 2.79Å; T480-D491 WeakPolarHBondContact CB-OD2 3.42Å; T480-D491 HydrophobicContact CG2-CB 4.14Å; T480-D491 PolarHBondContact OG1-N 3.31Å; T480-D491 PolarHBondContact OG1-OD2 3.37Å; T480-H531 CarbonylContact O-C 3.59Å; T480-H531 WeakPolarHBondContact O-CA 3.32Å; T480-F532 PolarHBondContact O-N 3.29Å; T480-L534 HydrophobicContact CG2-CD2 3.86Å; T480-L534 HydrophobicContact CG2-CG 4.49Å
481	N	98.4	Very high	93.4	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.5	165.4	-177.8	-82	0	0	0	110.3	F486 K487 G488 I490 D530 H531	N481-F486 HydrophobicContact CB-CD1 4.36Å; N481-F486 HydrophobicContact CB-CE1 4.21Å; N481-F486 WeakPolarHBondContact OD1-CD1 3.45Å; N481-K487 WeakPolarHBondContact O-CA 3.36Å; N481-G488 PolarHBondContact N-O 3.32Å; N481-G488 VanDerWaalsContact N-O 3.07Å; N481-G488 PolarHBondContact O-N 3.33Å; N481-G488 VanDerWaalsContact O-N 3.13Å; N481-I490 HydrophobicContact CB-CD1 3.66Å; N481-I490 HydrophobicContact CB-CG1 3.85Å; N481-D530 WeakPolarHBondContact CA-O 3.38Å; N481-D530 PolarHBondContact ND2-OD2 3.22Å; N481-D530 VanDerWaalsContact ND2-OD2 3.13Å; N481-H531 PolarHBondContact ND2-CD2 3.2Å; N481-H531 PolarHBondContact ND2-CE1 3.07Å; N481-H531 PolarHBondContact ND2-NE2 3.24Å
482	Y	97.8	Very high	93.4	Very high	24 Å²	24	43.2 Å²	43.2	9%	0.094	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	87.2	-176.9	-170.8	-90.2	0	0	0	110	Y479 K487 L514 V519 C522 D530 F532	Y479-Y482 AromaticContact CD1-CD2 3.99Å; Y479-Y482 HydrophobicContact CD1-CD2 3.99Å; Y479-Y482 HydrophobicContact CD1-CE2 4.36Å; Y479-Y482 AromaticContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CG 4.27Å; Y479-Y482 AromaticContact CE1-CD2 3.9Å; Y479-Y482 HydrophobicContact CE1-CD2 3.9Å; Y479-Y482 AromaticContact CE1-CE2 3.9Å; Y479-Y482 HydrophobicContact CE1-CE2 3.9Å; Y479-Y482 AromaticContact CE2-CD2 3.53Å; Y479-Y482 HydrophobicContact CE2-CD2 3.53Å; Y479-Y482 HydrophobicContact CE2-CE2 4.07Å; Y479-Y482 HydrophobicContact CE2-CG 4.27Å; Y479-Y482 AromaticContact CG-CD2 3.87Å; Y479-Y482 HydrophobicContact CG-CD2 3.87Å; Y479-Y482 AromaticContact CZ-CD2 3.68Å; Y479-Y482 AromaticContact CZ-CE2 3.74Å; Y482-K487 HydrophobicContact CD2-CB 4.44Å; Y482-K487 HydrophobicContact CD2-CD 3.85Å; Y482-K487 HydrophobicContact CD2-CG 3.81Å; Y482-K487 HydrophobicContact CE2-CD 3.55Å; Y482-K487 HydrophobicContact CE2-CG 4.06Å; Y482-K487 HydrophobicContact CG-CG 4.38Å; Y482-L514 HydrophobicContact CE2-CD1 4.37Å; Y482-V519 HydrophobicContact CE1-CG1 4.46Å; Y482-V519 PolarHBondContact OH-O 2.99Å; Y482-V519 VanDerWaalsContact OH-O 3.08Å; Y482-C522 HydrophobicContact CD1-CB 4.48Å; Y482-C522 WeakPolarHBondContact O-CA 3.27Å; Y482-C522 WeakPolarHBondContact O-CB 3.48Å; Y482-C522 PolarHBondContact O-N 3Å; Y482-D530 PolarHBondContact N-O 3.12Å; Y482-F532 HydrophobicContact CG-CE2 4.1Å
483	T	97	Very high	93.6	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.117	24%	0.235	C	C	.	.			trans	-108.3	175.3	171.1	64.1	0	0	0	0	110.3	Y207 Y209 F486 K487 D530	Y207-T483 HydrophobicContact CE1-CG2 4.01Å; Y209-T483 WeakPolarHBondContact OH-CA 3.32Å; Y209-T483 WeakPolarHBondContact OH-CB 3.49Å; T483-F486 CarbonylContact C-O 3.42Å; T483-F486 PolarHBondContact N-O 3.44Å; T483-F486 PolarHBondContact OG1-N 3.09Å; T483-F486 PolarHBondContact OG1-O 3.16Å; T483-K487 WeakPolarHBondContact O-CG 3.27Å; T483-K487 PolarHBondContact O-NZ 2.87Å; T483-D530 HydrophobicContact CG2-CB 3.78Å
484	F	92.8	Very high	94.3	Very high	43 Å²	43	38.8 Å²	38.8	19%	0.189	22%	0.217	C	C	.	.	S	Bend	trans	-59.9	-51.9	173	178.7	-97.6	0	0	0	111.8	V97 F120 Y209 K487	V97-F484 HydrophobicContact CB-CE2 4.22Å; V97-F484 HydrophobicContact CG2-CE2 3.58Å; V97-F484 HydrophobicContact CG2-CZ 4.07Å; F120-F484 HydrophobicContact CE1-CD2 4.19Å; F120-F484 HydrophobicContact CE1-CE2 4.43Å; F120-F484 HydrophobicContact CE1-CG 4.4Å; F120-F484 HydrophobicContact CE2-CD1 4.18Å; F120-F484 HydrophobicContact CE2-CG 4.32Å; F120-F484 HydrophobicContact CZ-CB 4.1Å; F120-F484 AromaticContact CZ-CD1 3.68Å; F120-F484 HydrophobicContact CZ-CD1 3.68Å; F120-F484 AromaticContact CZ-CD2 3.7Å; F120-F484 HydrophobicContact CZ-CD2 3.7Å; F120-F484 HydrophobicContact CZ-CE1 4Å; F120-F484 HydrophobicContact CZ-CE2 4.02Å; F120-F484 AromaticContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CZ 4.14Å; Y209-F484 HydrophobicContact CD1-CB 3.85Å; Y209-F484 HydrophobicContact CE1-CB 3.48Å; Y209-F484 VanDerWaalsContact CE1-CB 3.48Å; Y209-F484 PolarHBondContact OH-N 3.38Å; F484-K487 PolarHBondContact O-NZ 3.01Å; F484-K487 VanDerWaalsContact O-NZ 3.15Å
485	D	92.1	Very high	95.4	Very high	130 Å²	130	32.3 Å²	32.3	70%	0.695	18%	0.181	S	C	*	.	S	Bend	trans	-80.3	-26.7	-173.3	-63.9	-53.1	0	0	0	113.6
486	F	96.3	Very high	96.2	Very high	77 Å²	77	29 Å²	29	34%	0.338	15%	0.146	S	C	.	.			trans	-137.3	134.3	-176.8	177.3	-100.7	0	0	0	112.2	L416 N481 T483 I490	L416-F486 HydrophobicContact CD2-CE2 4.26Å; L416-F486 HydrophobicContact CD2-CZ 3.92Å; N481-F486 HydrophobicContact CB-CD1 4.36Å; N481-F486 HydrophobicContact CB-CE1 4.21Å; N481-F486 WeakPolarHBondContact OD1-CD1 3.45Å; T483-F486 CarbonylContact C-O 3.42Å; T483-F486 PolarHBondContact N-O 3.44Å; T483-F486 PolarHBondContact OG1-N 3.09Å; T483-F486 PolarHBondContact OG1-O 3.16Å; F486-I490 HydrophobicContact CE1-CD1 4.12Å; F486-I490 HydrophobicContact CE1-CG2 4.01Å; F486-I490 HydrophobicContact CZ-CG2 3.84Å
487	K	96.6	Very high	96.3	Very high	88 Å²	88	32.9 Å²	32.9	38%	0.383	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	117.8	174.2	-62.2	172	175.8	61.9	0	107.8	N481 Y482 T483 F484 S520	N481-K487 WeakPolarHBondContact O-CA 3.36Å; Y482-K487 HydrophobicContact CD2-CB 4.44Å; Y482-K487 HydrophobicContact CD2-CD 3.85Å; Y482-K487 HydrophobicContact CD2-CG 3.81Å; Y482-K487 HydrophobicContact CE2-CD 3.55Å; Y482-K487 HydrophobicContact CE2-CG 4.06Å; Y482-K487 HydrophobicContact CG-CG 4.38Å; T483-K487 WeakPolarHBondContact O-CG 3.27Å; T483-K487 PolarHBondContact O-NZ 2.87Å; F484-K487 PolarHBondContact O-NZ 3.01Å; F484-K487 VanDerWaalsContact O-NZ 3.15Å; K487-S520 PolarHBondContact NZ-O 2.83Å
488	G	96.6	Very high	96.2	Very high	6 Å²	6	34.9 Å²	34.9	6%	0.062	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	164.6	-176.1	0	0	0	0	0	113.6	T480 N481	T480-G488 PolarHBondContact N-O 3.06Å; T480-G488 PolarHBondContact OG1-O 3.39Å; N481-G488 PolarHBondContact N-O 3.32Å; N481-G488 VanDerWaalsContact N-O 3.07Å; N481-G488 PolarHBondContact O-N 3.33Å; N481-G488 VanDerWaalsContact O-N 3.13Å
489	V	98	Very high	96	Very high	23 Å²	23	34.3 Å²	34.3	14%	0.139	17%	0.167	C	C	.	.			trans	-86.3	112.8	173.3	179.4	0	0	0	0	107.7	P417 M477 T480 Y492	P417-V489 HydrophobicContact CG-CB 4.01Å; P417-V489 HydrophobicContact CG-CG1 4.32Å; M477-V489 VanDerWaalsContact O-CG2 3.28Å; M477-V489 WeakPolarHBondContact O-CG2 3.34Å; T480-V489 HydrophobicContact CG2-CB 4.39Å; T480-V489 HydrophobicContact CG2-CG1 3.95Å; T480-V489 HydrophobicContact CG2-CG2 4.42Å; V489-Y492 HydrophobicContact CG1-CE1 3.84Å; V489-Y492 PolarHBondContact O-OH 3.11Å; V489-Y492 VanDerWaalsContact O-OH 3.09Å
490	I	98.3	Very high	95.9	Very high	6 Å²	6	33 Å²	33	3%	0.031	16%	0.161	C	C	.	.			trans	-131.7	-8.7	176.8	58.1	170.2	0	0	0	113	L413 L416 T480 N481 F486 Y492	L413-I490 PolarHBondContact N-O 3.11Å; L416-I490 HydrophobicContact CD2-CG2 4.32Å; T480-I490 PolarHBondContact OG1-N 2.79Å; N481-I490 HydrophobicContact CB-CD1 3.66Å; N481-I490 HydrophobicContact CB-CG1 3.85Å; F486-I490 HydrophobicContact CE1-CD1 4.12Å; F486-I490 HydrophobicContact CE1-CG2 4.01Å; F486-I490 HydrophobicContact CZ-CG2 3.84Å; I490-Y492 VanDerWaalsContact C-CE2 3.42Å; I490-Y492 WeakPolarHBondContact O-CD2 3.45Å; I490-Y492 WeakPolarHBondContact O-CE2 3.22Å
491	D	98.6	Very high	95.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.7	174.3	-53.3	-86.1	0	0	0	110.1	A411 T480 H531 L534	A411-D491 WeakPolarHBondContact O-CA 3.39Å; T480-D491 WeakPolarHBondContact CB-OD2 3.42Å; T480-D491 HydrophobicContact CG2-CB 4.14Å; T480-D491 PolarHBondContact OG1-N 3.31Å; T480-D491 PolarHBondContact OG1-OD2 3.37Å; D491-H531 IonicContact OD1-CE1 2.7Å; D491-H531 IonicContact OD1-ND1 3.77Å; D491-H531 PolarHBondContact OD1-ND1 3.22Å; D491-H531 IonicContact OD2-CE1 2.72Å; D491-H531 IonicContact OD2-CG 2.67Å; D491-H531 IonicContact OD2-ND1 3.11Å; D491-H531 PolarHBondContact OD2-ND1 3.29Å; D491-L534 HydrophobicContact CB-CD1 3.92Å; D491-L534 HydrophobicContact CB-CG 4.43Å; D491-L534 WeakPolarHBondContact O-CD1 3.18Å
492	Y	98.5	Very high	95.6	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.8	-174.9	-60.9	-92.2	0	0	0	113	C410 A411 L413 S415 P417 V422 V489 I490 F494	C410-Y492 WeakPolarHBondContact CA-O 3.35Å; A411-Y492 PolarHBondContact N-O 3.15Å; A411-Y492 PolarHBondContact O-N 3.01Å; L413-Y492 HydrophobicContact CB-CD2 4.1Å; L413-Y492 HydrophobicContact CB-CE2 4.2Å; L413-Y492 HydrophobicContact CD1-CD2 3.41Å; L413-Y492 VanDerWaalsContact CD1-CD2 3.41Å; L413-Y492 HydrophobicContact CD1-CE2 3.88Å; L413-Y492 HydrophobicContact CD1-CG 4.04Å; L413-Y492 HydrophobicContact CG-CD2 3.83Å; L413-Y492 HydrophobicContact CG-CE2 4.37Å; S415-Y492 WeakPolarHBondContact O-CE2 3.17Å; S415-Y492 PolarHBondContact O-OH 2.67Å; P417-Y492 WeakPolarHBondContact CD-OH 3.12Å; V422-Y492 HydrophobicContact CG2-CE1 4.12Å; V422-Y492 HydrophobicContact CG2-CE2 4.13Å; V489-Y492 HydrophobicContact CG1-CE1 3.84Å; V489-Y492 PolarHBondContact O-OH 3.11Å; V489-Y492 VanDerWaalsContact O-OH 3.09Å; I490-Y492 VanDerWaalsContact C-CE2 3.42Å; I490-Y492 WeakPolarHBondContact O-CD2 3.45Å; I490-Y492 WeakPolarHBondContact O-CE2 3.22Å; Y492-F494 AromaticContact CD1-CE2 3.82Å; Y492-F494 HydrophobicContact CD1-CE2 3.82Å; Y492-F494 HydrophobicContact CD1-CZ 4.29Å; Y492-F494 HydrophobicContact CG-CD2 4.37Å; Y492-F494 AromaticContact CG-CE2 3.75Å; Y492-F494 HydrophobicContact CG-CE2 3.75Å
493	I	98.6	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	102.8	161.4	-58.9	176.5	0	0	0	107	V191 C193 V408 L409 A471 L534 A536	V191-I493 HydrophobicContact CG1-CD1 4.44Å; V191-I493 HydrophobicContact CG1-CG2 4.42Å; C193-I493 HydrophobicContact CB-CD1 4.04Å; C193-I493 HydrophobicContact CB-CG1 3.68Å; V408-I493 HydrophobicContact CG1-CG2 4.34Å; L409-I493 CarbonylContact O-C 3.24Å; A471-I493 HydrophobicContact CB-CB 4.16Å; A471-I493 HydrophobicContact CB-CG2 4.26Å; A471-I493 WeakPolarHBondContact CB-O 3.3Å; A471-I493 PolarHBondContact N-O 2.81Å; I493-L534 HydrophobicContact CD1-CB 3.7Å; I493-L534 HydrophobicContact CG1-CB 4.06Å; I493-L534 HydrophobicContact CG1-CD1 4.21Å; I493-A536 HydrophobicContact CD1-CB 4.28Å
494	F	98.4	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.6	171.4	-81.6	-86.1	0	0	0	110.8	V408 L409 L413 V422 L425 S426 L468 K469 Y492	V408-F494 CarbonylContact C-O 3.51Å; V408-F494 WeakPolarHBondContact CA-O 3.24Å; L409-F494 HydrophobicContact CB-CB 4.02Å; L409-F494 HydrophobicContact CD2-CB 4.33Å; L409-F494 HydrophobicContact CG-CB 4.41Å; L409-F494 PolarHBondContact N-O 2.8Å; L409-F494 PolarHBondContact O-N 3.46Å; L413-F494 HydrophobicContact CD1-CE2 4.26Å; V422-F494 HydrophobicContact CG1-CZ 4.38Å; L425-F494 HydrophobicContact CB-CD1 4.34Å; L425-F494 HydrophobicContact CB-CE1 3.89Å; L425-F494 HydrophobicContact CB-CE2 4.24Å; L425-F494 HydrophobicContact CB-CZ 3.84Å; L425-F494 HydrophobicContact CD1-CD2 4Å; L425-F494 HydrophobicContact CD1-CE2 3.62Å; L425-F494 HydrophobicContact CD1-CZ 4.03Å; S426-F494 WeakPolarHBondContact OG-CE1 2.95Å; L468-F494 HydrophobicContact CB-CB 4.3Å; L468-F494 HydrophobicContact CB-CD1 3.83Å; L468-F494 HydrophobicContact CB-CG 4.45Å; L468-F494 HydrophobicContact CD1-CB 4.34Å; K469-F494 VanDerWaalsContact C-CD1 3.47Å; K469-F494 WeakPolarHBondContact O-CA 3.37Å; Y492-F494 AromaticContact CD1-CE2 3.82Å; Y492-F494 HydrophobicContact CD1-CE2 3.82Å; Y492-F494 HydrophobicContact CD1-CZ 4.29Å; Y492-F494 HydrophobicContact CG-CD2 4.37Å; Y492-F494 AromaticContact CG-CE2 3.75Å; Y492-F494 HydrophobicContact CG-CE2 3.75Å
495	Y	97.4	Very high	95.8	Very high	14 Å²	14	30.7 Å²	30.7	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.5	178.1	67.8	-83.4	0	0	0	111.6	L407 L468 K469 A471 K497 L500 V502	L407-Y495 WeakPolarHBondContact O-CA 2.97Å; L468-Y495 VanDerWaalsContact CA-O 3.31Å; L468-Y495 WeakPolarHBondContact CA-O 3.26Å; K469-Y495 HydrophobicContact CB-CE1 3.9Å; K469-Y495 HydrophobicContact CB-CE2 4.48Å; K469-Y495 HydrophobicContact CG-CE1 4.33Å; K469-Y495 PolarHBondContact N-O 3Å; K469-Y495 WeakPolarHBondContact O-CD1 3.08Å; K469-Y495 VanDerWaalsContact O-CE1 3.29Å; K469-Y495 WeakPolarHBondContact O-CE1 3.38Å; K469-Y495 PolarHBondContact O-N 3.46Å; A471-Y495 HydrophobicContact CB-CD1 4.28Å; A471-Y495 HydrophobicContact CB-CE1 4.4Å; Y495-K497 HydrophobicContact CE2-CB 4.29Å; Y495-K497 PolarHBondContact O-N 2.98Å; Y495-L500 HydrophobicContact CD2-CB 3.66Å; Y495-L500 WeakPolarHBondContact CD2-O 3.4Å; Y495-L500 HydrophobicContact CE2-CB 4.49Å; Y495-L500 WeakPolarHBondContact CE2-O 3.21Å; Y495-L500 HydrophobicContact CG-CB 4.37Å; Y495-V502 HydrophobicContact CD1-CG2 3.64Å; Y495-V502 HydrophobicContact CD2-CG2 4.44Å; Y495-V502 HydrophobicContact CE1-CG2 3.16Å; Y495-V502 HydrophobicContact CE2-CG2 4Å; Y495-V502 HydrophobicContact CG-CG2 4.27Å
496	S	95.4	Very high	96	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	96.6	173.5	-67.7	0	0	0	0	111.8	L407 F466 P498 H499 L500	L407-S496 PolarHBondContact N-OG 2.93Å; L407-S496 VanDerWaalsContact N-OG 3.13Å; L407-S496 PolarHBondContact O-N 2.97Å; F466-S496 PolarHBondContact O-OG 3.07Å; S496-P498 VanDerWaalsContact C-N 3.32Å; S496-P498 WeakPolarHBondContact O-CD 3.35Å; S496-P498 VanDerWaalsContact O-N 3.13Å; S496-H499 PolarHBondContact O-N 2.93Å; S496-L500 PolarHBondContact O-N 2.96Å
497	K	92.3	Very high	96	Very high	127 Å²	127	22 Å²	22	55%	0.552	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-35.6	-176.9	-174.8	-179.7	178.9	-176.9	0	116	K467 K469 Y495 H499	K467-K497 PolarHBondContact O-N 3.16Å; K467-K497 VanDerWaalsContact O-N 3.14Å; K469-K497 HydrophobicContact CB-CB 4.37Å; K469-K497 HydrophobicContact CD-CD 4.45Å; Y495-K497 HydrophobicContact CE2-CB 4.29Å; Y495-K497 PolarHBondContact O-N 2.98Å; K497-H499 PolarHBondContact O-N 2.8Å
498	P	90	Very high	96	Very high	52 Å²	52	19.5 Å²	19.5	34%	0.338	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.6	179.1	-22.6	33.1	0	0	0	114.5	K467 S496	K467-P498 HydrophobicContact CB-CG 3.95Å; K467-P498 HydrophobicContact CD-CG 3.56Å; K467-P498 HydrophobicContact CG-CG 4.4Å; S496-P498 VanDerWaalsContact C-N 3.32Å; S496-P498 WeakPolarHBondContact O-CD 3.35Å; S496-P498 VanDerWaalsContact O-N 3.13Å
499	H	88.6	Confident	95.9	Very high	57 Å²	57	19.5 Å²	19.5	26%	0.264	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-24.7	-172.2	-58.4	99.8	0	0	0	113	N403 P406 S496 K497 L540 L541	N403-H499 PolarHBondContact O-CE1 3.14Å; N403-H499 PolarHBondContact O-NE2 3.15Å; P406-H499 HydrophobicContact CB-CB 3.82Å; S496-H499 PolarHBondContact O-N 2.93Å; K497-H499 PolarHBondContact O-N 2.8Å; H499-L540 HydrophobicContact CB-CD1 4.43Å; H499-L541 WeakPolarHBondContact O-CB 3.42Å; H499-L541 PolarHBondContact O-N 3.5Å
500	L	93.8	Very high	95.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.5	-170.9	-72.9	164.4	0	0	0	110	F189 P406 V408 Y495 S496 L538 E539 L540	F189-L500 HydrophobicContact CE1-CD2 3.73Å; F189-L500 HydrophobicContact CZ-CD2 3.82Å; P406-L500 HydrophobicContact CB-CD1 4.07Å; P406-L500 HydrophobicContact CB-CG 4.32Å; V408-L500 HydrophobicContact CG2-CD1 3.73Å; Y495-L500 HydrophobicContact CD2-CB 3.66Å; Y495-L500 WeakPolarHBondContact CD2-O 3.4Å; Y495-L500 HydrophobicContact CE2-CB 4.49Å; Y495-L500 WeakPolarHBondContact CE2-O 3.21Å; Y495-L500 HydrophobicContact CG-CB 4.37Å; S496-L500 PolarHBondContact O-N 2.96Å; L500-L538 HydrophobicContact CD2-CB 4.36Å; L500-E539 CarbonylContact C-O 3.56Å; L500-E539 VanDerWaalsContact CA-O 3.31Å; L500-E539 WeakPolarHBondContact CA-O 3.48Å; L500-L540 HydrophobicContact CD2-CB 3.82Å; L500-L540 HydrophobicContact CD2-CD1 3.94Å; L500-L540 HydrophobicContact CD2-CG 4.49Å; L500-L540 HydrophobicContact CG-CD1 4.34Å
501	N	94.8	Very high	95.3	Very high	37 Å²	37	24.3 Å²	24.3	20%	0.198	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.8	175.7	-89.8	-17	0	0	0	108.5	Q178 L538 E539	Q178-N501 VanDerWaalsContact NE2-CG 3.29Å; N501-L538 CarbonylContact O-C 3.55Å; N501-L538 VanDerWaalsContact O-CA 3.28Å; N501-L538 WeakPolarHBondContact O-CA 3.36Å; N501-E539 HydrophobicContact CB-CB 3.88Å; N501-E539 HydrophobicContact CB-CG 4.38Å; N501-E539 WeakPolarHBondContact CB-OE2 3.49Å; N501-E539 PolarHBondContact N-O 2.99Å; N501-E539 PolarHBondContact ND2-OE2 3.34Å; N501-E539 PolarHBondContact O-N 3.44Å
502	V	96.3	Very high	95	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.2	174.9	-178.2	0	0	0	0	107.9	L177 Q178 A471 Y495 I505 L538	L177-V502 HydrophobicContact CD1-CG1 3.84Å; Q178-V502 VanDerWaalsContact CG-O 3.24Å; Q178-V502 WeakPolarHBondContact CG-O 3.5Å; A471-V502 HydrophobicContact CB-CG1 4.34Å; A471-V502 HydrophobicContact CB-CG2 3.99Å; Y495-V502 HydrophobicContact CD1-CG2 3.64Å; Y495-V502 HydrophobicContact CD2-CG2 4.44Å; Y495-V502 HydrophobicContact CE1-CG2 3.16Å; Y495-V502 HydrophobicContact CE2-CG2 4Å; Y495-V502 HydrophobicContact CG-CG2 4.27Å; V502-I505 HydrophobicContact CG1-CG2 3.96Å; V502-L538 HydrophobicContact CB-CD2 4.26Å; V502-L538 HydrophobicContact CG1-CD2 4.41Å; V502-L538 HydrophobicContact CG2-CD2 3.57Å
503	L	96.1	Very high	94.6	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-36.1	-177.1	-58.5	-174.4	0	0	0	112.3	L177 Q178 P180 L188 Q537 E539	L177-L503 PolarHBondContact N-O 3.23Å; Q178-L503 HydrophobicContact CG-CD2 4.02Å; Q178-L503 PolarHBondContact N-O 2.97Å; P180-L503 HydrophobicContact CB-CD1 4.41Å; P180-L503 HydrophobicContact CG-CD1 3.91Å; P180-L503 HydrophobicContact CG-CD2 4.44Å; L188-L503 HydrophobicContact CD1-CD1 4.39Å; L188-L503 HydrophobicContact CD2-CD1 3.52Å; L503-Q537 HydrophobicContact CB-CG 4.36Å; L503-Q537 HydrophobicContact CD1-CG 4.3Å; L503-Q537 PolarHBondContact N-O 3.46Å; L503-E539 HydrophobicContact CD1-CB 4.12Å; L503-E539 HydrophobicContact CD2-CB 4.04Å; L503-E539 HydrophobicContact CG-CB 4.02Å
504	G	96.8	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	168.1	177.6	0	0	0	0	0	112.1	W174 I175 Q537	W174-G504 VanDerWaalsContact CH2-C 3.46Å; W174-G504 WeakPolarHBondContact CH2-O 3.45Å; W174-G504 VanDerWaalsContact CZ2-CA 3.47Å; I175-G504 CarbonylContact O-C 3.19Å; I175-G504 WeakPolarHBondContact O-CA 3.03Å; G504-Q537 PolarHBondContact O-N 2.96Å
505	I	97.8	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160.6	-176.3	58.4	157.9	0	0	0	110.8	I175 L177 Y472 L476 V502 Y535 A536	I175-I505 HydrophobicContact CB-CG1 3.99Å; I175-I505 HydrophobicContact CD1-CD1 4.31Å; I175-I505 PolarHBondContact N-O 3.44Å; I175-I505 PolarHBondContact O-N 3.14Å; L177-I505 HydrophobicContact CD1-CG1 4.41Å; L177-I505 HydrophobicContact CD1-CG2 4.21Å; Y472-I505 HydrophobicContact CD1-CD1 3.52Å; Y472-I505 HydrophobicContact CD2-CG2 4.37Å; Y472-I505 HydrophobicContact CE1-CB 4.11Å; Y472-I505 HydrophobicContact CE1-CD1 3.46Å; Y472-I505 VanDerWaalsContact CE1-CD1 3.46Å; Y472-I505 HydrophobicContact CE1-CG1 4.31Å; Y472-I505 HydrophobicContact CE2-CB 4.2Å; Y472-I505 HydrophobicContact CE2-CG2 4.03Å; Y472-I505 HydrophobicContact CG-CD1 4.21Å; L476-I505 HydrophobicContact CB-CD1 3.92Å; L476-I505 HydrophobicContact CD1-CD1 3.7Å; L476-I505 HydrophobicContact CG-CD1 4.33Å; V502-I505 HydrophobicContact CG1-CG2 3.96Å; I505-Y535 CarbonylContact C-O 3.51Å; I505-Y535 VanDerWaalsContact CA-O 3.27Å; I505-Y535 WeakPolarHBondContact CA-O 3.33Å; I505-A536 HydrophobicContact CG2-CB 4.03Å
506	L	97.4	Very high	93.3	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.131	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.3	167.5	-170.2	64.6	0	0	0	109.7	R172 Y472 Y535	R172-L506 HydrophobicContact CB-CD1 3.68Å; R172-L506 HydrophobicContact CB-CD2 4.3Å; R172-L506 HydrophobicContact CB-CG 3.88Å; R172-L506 PolarHBondContact NH2-O 3.26Å; Y472-L506 WeakPolarHBondContact CE1-O 3.46Å; Y472-L506 PolarHBondContact OH-O 3.49Å; L506-Y535 HydrophobicContact CB-CD1 4.43Å; L506-Y535 HydrophobicContact CB-CG 4.49Å; L506-Y535 PolarHBondContact N-O 2.79Å
507	G	96.5	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.			trans	-68.8	179.2	-179.9	0	0	0	0	0	113.7	R172 S173	R172-G507 VanDerWaalsContact CZ-O 3.23Å; R172-G507 PolarHBondContact NE-O 2.95Å; R172-G507 PolarHBondContact NH2-O 3.5Å; S173-G507 WeakPolarHBondContact O-CA 3.38Å; S173-G507 PolarHBondContact O-N 2.8Å
508	P	95.9	Very high	92.4	Very high	35 Å²	35	41 Å²	41	23%	0.227	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-69.5	162.6	-179.8	30.7	-34.9	0	0	0	111.8	L476 M477	L476-P508 WeakPolarHBondContact O-CD 3.33Å; M477-P508 HydrophobicContact CG-CB 4.45Å
509	L	94.1	Very high	92.3	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-61.9	143.4	161.2	-179.3	63.9	0	0	0	109	P169 P170 R172 P511 W513 L514 I527 F532	P169-L509 HydrophobicContact CB-CD1 3.71Å; P169-L509 HydrophobicContact CB-CD2 4.38Å; P170-L509 HydrophobicContact CG-CD1 4.36Å; R172-L509 HydrophobicContact CG-CB 4.49Å; L509-P511 WeakPolarHBondContact O-CD 3.39Å; L509-P511 VanDerWaalsContact O-N 3.11Å; L509-W513 HydrophobicContact CD2-CE3 4.03Å; L509-W513 HydrophobicContact CD2-CZ3 4.16Å; L509-L514 HydrophobicContact CD2-CD2 3.96Å; L509-L514 HydrophobicContact CD2-CG 4.24Å; L509-I527 HydrophobicContact CD2-CD1 3.69Å; L509-F532 HydrophobicContact CB-CE1 4.1Å; L509-F532 HydrophobicContact CB-CZ 4.47Å; L509-F532 HydrophobicContact CD2-CE1 3.89Å; L509-F532 HydrophobicContact CD2-CZ 4.22Å
510	D	92.6	Very high	92.3	Very high	69 Å²	69	37.8 Å²	37.8	37%	0.369	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-57	116.4	-178.6	-174.7	-1	0	0	0	111.1	P170 H512 W513 L514	P170-D510 HydrophobicContact CG-CB 3.88Å; D510-H512 PolarHBondContact O-N 3.11Å; D510-H512 WeakPolarHBondContact OD1-CB 3.29Å; D510-H512 IonicContact OD1-CG 3.84Å; D510-H512 PolarHBondContact OD1-N 2.8Å; D510-H512 IonicContact OD1-ND1 3.97Å; D510-H512 PolarHBondContact OD1-ND1 3.06Å; D510-W513 HydrophobicContact CB-CB 4.31Å; D510-W513 PolarHBondContact O-N 3.42Å; D510-L514 PolarHBondContact O-N 2.68Å
511	P	91.4	Very high	92.3	Very high	61 Å²	61	37.9 Å²	37.9	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-27.7	178.5	-23.7	35.2	0	0	0	113.2	L509 L514 V515	L509-P511 WeakPolarHBondContact O-CD 3.39Å; L509-P511 VanDerWaalsContact O-N 3.11Å; P511-L514 PolarHBondContact O-N 3.46Å; P511-V515 WeakPolarHBondContact O-CG2 3.36Å; P511-V515 PolarHBondContact O-N 3.4Å; P511-V515 VanDerWaalsContact O-N 3.16Å
512	H	91.3	Very high	92.4	Very high	130 Å²	130	36.1 Å²	36.1	60%	0.602	20%	0.196	S	C	*	.	H	α-helix	trans	-65.9	-42.5	177.8	-63.4	87.9	0	0	0	110.9	D510 L514 V515 E516	D510-H512 PolarHBondContact O-N 3.11Å; D510-H512 WeakPolarHBondContact OD1-CB 3.29Å; D510-H512 IonicContact OD1-CG 3.84Å; D510-H512 PolarHBondContact OD1-N 2.8Å; D510-H512 IonicContact OD1-ND1 3.97Å; D510-H512 PolarHBondContact OD1-ND1 3.06Å; H512-L514 VanDerWaalsContact C-N 3.29Å; H512-L514 PolarHBondContact O-N 2.99Å; H512-V515 PolarHBondContact O-N 2.86Å; H512-V515 VanDerWaalsContact O-N 3.12Å; H512-E516 WeakPolarHBondContact O-CB 3.14Å; H512-E516 WeakPolarHBondContact O-CG 3.36Å; H512-E516 PolarHBondContact O-N 2.84Å
513	W	91.5	Very high	92.4	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.045	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-40.5	176.7	-177.3	90.2	0	0	0	111.8	E167 P169 P170 L509 D510 V515 N517 V519 H526 I527	E167-W513 PolarHBondContact O-NE1 2.87Å; P169-W513 HydrophobicContact CB-CD2 4.28Å; P169-W513 HydrophobicContact CB-CE3 4.33Å; P169-W513 HydrophobicContact CB-CH2 4.06Å; P169-W513 HydrophobicContact CB-CZ2 3.98Å; P169-W513 HydrophobicContact CB-CZ3 4.22Å; P170-W513 VanDerWaalsContact CD-CD1 3.48Å; P170-W513 HydrophobicContact CG-CB 4.22Å; P170-W513 HydrophobicContact CG-CG 4.36Å; L509-W513 HydrophobicContact CD2-CE3 4.03Å; L509-W513 HydrophobicContact CD2-CZ3 4.16Å; D510-W513 HydrophobicContact CB-CB 4.31Å; D510-W513 PolarHBondContact O-N 3.42Å; W513-V515 PolarHBondContact O-N 3.12Å; W513-N517 VanDerWaalsContact CD1-ND2 3.33Å; W513-N517 PolarHBondContact NE1-ND2 3.42Å; W513-N517 VanDerWaalsContact O-CB 3.32Å; W513-N517 WeakPolarHBondContact O-CB 3.4Å; W513-N517 PolarHBondContact O-N 3.29Å; W513-N517 PolarHBondContact O-ND2 3.13Å; W513-V519 HydrophobicContact CH2-CG2 4.36Å; W513-V519 HydrophobicContact CZ3-CG2 3.99Å; W513-H526 HydrophobicContact CH2-CB 4.41Å; W513-I527 HydrophobicContact CZ3-CD1 4.05Å
514	L	90.8	Very high	92.3	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-43.1	176	-68.5	170.5	0	0	0	111.7	Y479 Y482 L509 D510 P511 H512 N518 V519 I527	Y479-L514 HydrophobicContact CE2-CD1 4.45Å; Y479-L514 WeakPolarHBondContact OH-CD1 3.3Å; Y482-L514 HydrophobicContact CE2-CD1 4.37Å; L509-L514 HydrophobicContact CD2-CD2 3.96Å; L509-L514 HydrophobicContact CD2-CG 4.24Å; D510-L514 PolarHBondContact O-N 2.68Å; P511-L514 PolarHBondContact O-N 3.46Å; H512-L514 VanDerWaalsContact C-N 3.29Å; H512-L514 PolarHBondContact O-N 2.99Å; L514-N518 PolarHBondContact O-N 2.98Å; L514-V519 HydrophobicContact CB-CB 4.45Å; L514-V519 HydrophobicContact CD2-CB 3.74Å; L514-V519 HydrophobicContact CD2-CG1 3.73Å; L514-V519 HydrophobicContact CD2-CG2 4.27Å; L514-V519 PolarHBondContact O-N 3.05Å; L514-I527 HydrophobicContact CD2-CD1 4.17Å
515	V	87.6	Confident	92	Very high	107 Å²	107	38.7 Å²	38.7	65%	0.648	21%	0.209	S	C	*	.	H	α-helix	trans	-68.3	-48.4	178.8	173.9	0	0	0	0	111.3	P511 H512 W513 N517 N518	P511-V515 WeakPolarHBondContact O-CG2 3.36Å; P511-V515 PolarHBondContact O-N 3.4Å; P511-V515 VanDerWaalsContact O-N 3.16Å; H512-V515 PolarHBondContact O-N 2.86Å; H512-V515 VanDerWaalsContact O-N 3.12Å; W513-V515 PolarHBondContact O-N 3.12Å; V515-N517 VanDerWaalsContact C-N 3.27Å; V515-N517 PolarHBondContact O-N 3.28Å; V515-N518 PolarHBondContact O-N 2.92Å
516	E	87.4	Confident	91.7	Very high	141 Å²	141	42.1 Å²	42.1	66%	0.659	23%	0.225	S	C	*	.	H	α-helix	trans	-61.5	-36	-179.4	-73.2	-179.2	168.7	0	0	112.3	H512 N518	H512-E516 WeakPolarHBondContact O-CB 3.14Å; H512-E516 WeakPolarHBondContact O-CG 3.36Å; H512-E516 PolarHBondContact O-N 2.84Å; E516-N518 VanDerWaalsContact C-N 3.33Å
517	N	85.3	Confident	91.7	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.139	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.7	178.1	-69.8	-82.2	0	0	0	113.7	W513 V515 V519	W513-N517 VanDerWaalsContact CD1-ND2 3.33Å; W513-N517 PolarHBondContact NE1-ND2 3.42Å; W513-N517 VanDerWaalsContact O-CB 3.32Å; W513-N517 WeakPolarHBondContact O-CB 3.4Å; W513-N517 PolarHBondContact O-N 3.29Å; W513-N517 PolarHBondContact O-ND2 3.13Å; V515-N517 VanDerWaalsContact C-N 3.27Å; V515-N517 PolarHBondContact O-N 3.28Å; N517-V519 HydrophobicContact CB-CG2 3.89Å; N517-V519 PolarHBondContact O-N 2.93Å
518	N	83.7	Confident	91.7	Very high	86 Å²	86	42.2 Å²	42.2	46%	0.46	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.3	-177.2	-59.2	-67.7	0	0	0	112.9	L514 V515 E516 S520	L514-N518 PolarHBondContact O-N 2.98Å; V515-N518 PolarHBondContact O-N 2.92Å; E516-N518 VanDerWaalsContact C-N 3.33Å; N518-S520 PolarHBondContact O-N 3.07Å
519	V	89.3	Confident	91.8	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.036	22%	0.215	C	C	.	.			trans	-82.1	101.9	176.8	-176.6	0	0	0	0	108.4	Y482 W513 L514 N517 H524	Y482-V519 HydrophobicContact CE1-CG1 4.46Å; Y482-V519 PolarHBondContact OH-O 2.99Å; Y482-V519 VanDerWaalsContact OH-O 3.08Å; W513-V519 HydrophobicContact CH2-CG2 4.36Å; W513-V519 HydrophobicContact CZ3-CG2 3.99Å; L514-V519 HydrophobicContact CB-CB 4.45Å; L514-V519 HydrophobicContact CD2-CB 3.74Å; L514-V519 HydrophobicContact CD2-CG1 3.73Å; L514-V519 HydrophobicContact CD2-CG2 4.27Å; L514-V519 PolarHBondContact O-N 3.05Å; N517-V519 HydrophobicContact CB-CG2 3.89Å; N517-V519 PolarHBondContact O-N 2.93Å; V519-H524 HydrophobicContact CG1-CB 4.39Å
520	S	87.2	Confident	92	Very high	36 Å²	36	40.7 Å²	40.7	25%	0.252	22%	0.216	S	C	.	.			trans	-86.3	-16.7	-177.7	58.3	0	0	0	0	114.4	K487 N518	K487-S520 PolarHBondContact NZ-O 2.83Å; N518-S520 PolarHBondContact O-N 3.07Å
521	G	94	Very high	92.3	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	-172.5	163.3	-178.3	0	0	0	0	0	111.4	Y209	Y209-G521 WeakPolarHBondContact CE2-O 3.43Å
522	C	96.9	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-116.7	154.9	176.1	-65.2	0	0	0	0	110.1	Y207 Y209 Y482 I527 S529 D530	Y207-C522 WeakPolarHBondContact CD1-O 3.4Å; Y209-C522 PolarHBondContact OH-O 3.31Å; Y482-C522 HydrophobicContact CD1-CB 4.48Å; Y482-C522 WeakPolarHBondContact O-CA 3.27Å; Y482-C522 WeakPolarHBondContact O-CB 3.48Å; Y482-C522 PolarHBondContact O-N 3Å; C522-I527 HydrophobicContact CB-CG2 4.23Å; C522-I527 VanDerWaalsContact SG-CD1 3.59Å; C522-S529 WeakPolarHBondContact CB-O 3.34Å; C522-D530 VanDerWaalsContact O-CB 3.25Å; C522-D530 WeakPolarHBondContact O-CB 3.37Å
523	P	96.5	Very high	92.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.156	C	C	.	.	S	Bend	cis	-64.8	157.6	3.3	-19.2	32.4	0	0	0	113.6	L197 Y207 C210 L215 I527	L197-P523 HydrophobicContact CD2-CG 3.24Å; Y207-P523 HydrophobicContact CD1-CG 4.45Å; Y207-P523 VanDerWaalsContact CE1-CD 3.48Å; C210-P523 WeakPolarHBondContact CB-O 3.24Å; C210-P523 PolarHBondContact SG-O 3.4Å; L215-P523 HydrophobicContact CD2-CB 4.27Å; L215-P523 HydrophobicContact CD2-CG 4.08Å; P523-I527 CarbonylContact C-O 3.56Å; P523-I527 VanDerWaalsContact CA-O 3.29Å; P523-I527 WeakPolarHBondContact CA-O 3.41Å; P523-I527 WeakPolarHBondContact CB-O 3.48Å
524	H	94.1	Very high	93.3	Very high	46 Å²	46	28.9 Å²	28.9	21%	0.213	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-135.8	156.6	178.8	-179.5	-95.1	0	0	0	107.6	V519 H526 I527	V519-H524 HydrophobicContact CG1-CB 4.39Å; H524-H526 AromaticContact CE1-CD2 3.84Å; H524-H526 PolarHBondContact ND1-N 3.41Å; H524-H526 PolarHBondContact O-N 2.7Å; H524-I527 HydrophobicContact CB-CB 4.12Å; H524-I527 HydrophobicContact CB-CD1 4.48Å; H524-I527 HydrophobicContact CB-CG1 4.41Å; H524-I527 PolarHBondContact N-O 2.83Å; H524-I527 CarbonylContact O-C 3.51Å; H524-I527 PolarHBondContact O-N 3.06Å
525	P	91.4	Very high	93.6	Very high	19 Å²	19	30.2 Å²	30.2	12%	0.123	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-28	174.5	-38.1	39.1	0	0	0	117.4	P211 W213 A214 Y219	P211-P525 HydrophobicContact CG-CG 4.23Å; W213-P525 HydrophobicContact CH2-CB 3.62Å; W213-P525 HydrophobicContact CH2-CG 3.72Å; W213-P525 HydrophobicContact CZ2-CB 4.43Å; W213-P525 HydrophobicContact CZ2-CG 4.05Å; W213-P525 HydrophobicContact CZ3-CB 4.17Å; W213-P525 HydrophobicContact CZ3-CG 4.45Å; A214-P525 HydrophobicContact CB-CB 4.42Å; A214-P525 HydrophobicContact CB-CG 3.97Å; Y219-P525 WeakPolarHBondContact CE1-O 3.33Å; Y219-P525 PolarHBondContact OH-O 3.17Å
526	H	91.9	Very high	94.2	Very high	71 Å²	71	25.1 Å²	25.1	33%	0.329	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.8	177.4	-59	-54.9	0	0	0	114.7	P169 W513 H524	P169-H526 HydrophobicContact CG-CB 4.11Å; W513-H526 HydrophobicContact CH2-CB 4.41Å; H524-H526 AromaticContact CE1-CD2 3.84Å; H524-H526 PolarHBondContact ND1-N 3.41Å; H524-H526 PolarHBondContact O-N 2.7Å
527	I	95.8	Very high	94.7	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.062	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-131.4	103.9	-177.9	-53.9	171	0	0	0	107.6	L509 W513 L514 C522 P523 H524 S529 F532	L509-I527 HydrophobicContact CD2-CD1 3.69Å; W513-I527 HydrophobicContact CZ3-CD1 4.05Å; L514-I527 HydrophobicContact CD2-CD1 4.17Å; C522-I527 HydrophobicContact CB-CG2 4.23Å; C522-I527 VanDerWaalsContact SG-CD1 3.59Å; P523-I527 CarbonylContact C-O 3.56Å; P523-I527 VanDerWaalsContact CA-O 3.29Å; P523-I527 WeakPolarHBondContact CA-O 3.41Å; P523-I527 WeakPolarHBondContact CB-O 3.48Å; H524-I527 HydrophobicContact CB-CB 4.12Å; H524-I527 HydrophobicContact CB-CD1 4.48Å; H524-I527 HydrophobicContact CB-CG1 4.41Å; H524-I527 PolarHBondContact N-O 2.83Å; H524-I527 CarbonylContact O-C 3.51Å; H524-I527 PolarHBondContact O-N 3.06Å; I527-S529 PolarHBondContact O-N 3.46Å; I527-F532 HydrophobicContact CD1-CE1 4.13Å; I527-F532 HydrophobicContact CD1-CZ 4.34Å; I527-F532 HydrophobicContact CG2-CE1 3.96Å
528	P	96.9	Very high	95.2	Very high	15 Å²	15	20.3 Å²	20.3	10%	0.097	11%	0.105	C	C	.	.			trans	-85.7	-2.4	-162.8	35.8	-39.7	0	0	0	115.3	R220 I224	R220-P528 HydrophobicContact CB-CB 4.13Å; R220-P528 WeakPolarHBondContact CD-O 3.34Å; R220-P528 HydrophobicContact CG-CB 4.42Å; R220-P528 PolarHBondContact NH1-O 3.11Å; I224-P528 HydrophobicContact CD1-CB 4.46Å; I224-P528 HydrophobicContact CG1-CB 3.81Å; I224-P528 HydrophobicContact CG1-CG 3.78Å
529	S	98.4	Very high	95.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-131.1	156.4	174.6	179.6	0	0	0	0	108.9	Y194 N195 C522 I527 H531	Y194-S529 WeakPolarHBondContact OH-CB 3.34Å; N195-S529 PolarHBondContact O-OG 3.41Å; C522-S529 WeakPolarHBondContact CB-O 3.34Å; I527-S529 PolarHBondContact O-N 3.46Å; S529-H531 PolarHBondContact OG-N 2.91Å
530	D	98.3	Very high	95.9	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.053	8%	0.082	C	C	.	.	S	Bend	trans	-75.1	-10.7	166.5	57.4	-31.8	0	0	0	113.1	Y207 N481 Y482 T483 C522	Y207-D530 HydrophobicContact CE1-CB 3.79Å; Y207-D530 VanDerWaalsContact OH-CG 3.25Å; Y207-D530 PolarHBondContact OH-OD2 2.78Å; N481-D530 WeakPolarHBondContact CA-O 3.38Å; N481-D530 PolarHBondContact ND2-OD2 3.22Å; N481-D530 VanDerWaalsContact ND2-OD2 3.13Å; Y482-D530 PolarHBondContact N-O 3.12Å; T483-D530 HydrophobicContact CG2-CB 3.78Å; C522-D530 VanDerWaalsContact O-CB 3.25Å; C522-D530 WeakPolarHBondContact O-CB 3.37Å
531	H	98.6	Very high	95.9	Very high	7 Å²	7	15 Å²	15	3%	0.032	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-99	150.7	169.3	-63.7	-116.2	0	0	0	111.8	Y194 N195 D412 T480 N481 D491 S529	Y194-H531 WeakPolarHBondContact CE2-O 3.4Å; N195-H531 HydrophobicContact CB-CB 4.08Å; N195-H531 PolarHBondContact ND2-NE2 3.34Å; D412-H531 IonicContact OD2-CE1 2.67Å; D412-H531 PolarHBondContact OD2-CE1 2.65Å; D412-H531 VanDerWaalsContact OD2-CE1 3.28Å; D412-H531 IonicContact OD2-NE2 3.08Å; T480-H531 CarbonylContact O-C 3.59Å; T480-H531 WeakPolarHBondContact O-CA 3.32Å; N481-H531 PolarHBondContact ND2-CD2 3.2Å; N481-H531 PolarHBondContact ND2-CE1 3.07Å; N481-H531 PolarHBondContact ND2-NE2 3.24Å; D491-H531 IonicContact OD1-CE1 2.7Å; D491-H531 IonicContact OD1-ND1 3.77Å; D491-H531 PolarHBondContact OD1-ND1 3.22Å; D491-H531 IonicContact OD2-CE1 2.72Å; D491-H531 IonicContact OD2-CG 2.67Å; D491-H531 IonicContact OD2-ND1 3.11Å; D491-H531 PolarHBondContact OD2-ND1 3.29Å; S529-H531 PolarHBondContact OG-N 2.91Å
532	F	98.2	Very high	95.2	Very high	15 Å²	15	15.2 Å²	15.2	7%	0.066	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-98.2	138.4	166.5	-67.4	-70.1	0	0	0	109.5	M477 Y479 T480 Y482 L509 I527	M477-F532 HydrophobicContact CE-CB 3.44Å; M477-F532 VanDerWaalsContact CE-CB 3.44Å; M477-F532 HydrophobicContact CE-CG 4.25Å; Y479-F532 AromaticContact CD2-CD2 3.9Å; Y479-F532 HydrophobicContact CD2-CD2 3.9Å; Y479-F532 AromaticContact CD2-CE2 3.7Å; Y479-F532 HydrophobicContact CD2-CE2 3.7Å; Y479-F532 HydrophobicContact CE2-CD2 4.09Å; Y479-F532 AromaticContact CE2-CE2 3.53Å; Y479-F532 HydrophobicContact CE2-CE2 3.53Å; Y479-F532 HydrophobicContact CE2-CZ 4.4Å; T480-F532 PolarHBondContact O-N 3.29Å; Y482-F532 HydrophobicContact CG-CE2 4.1Å; L509-F532 HydrophobicContact CB-CE1 4.1Å; L509-F532 HydrophobicContact CB-CZ 4.47Å; L509-F532 HydrophobicContact CD2-CE1 3.89Å; L509-F532 HydrophobicContact CD2-CZ 4.22Å; I527-F532 HydrophobicContact CD1-CE1 4.13Å; I527-F532 HydrophobicContact CD1-CZ 4.34Å; I527-F532 HydrophobicContact CG2-CE1 3.96Å
533	S	98.1	Very high	93.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-64.1	140.6	178.5	70.4	0	0	0	0	111.6	R172 E227	R172-S533 VanDerWaalsContact CZ-O 3.27Å; R172-S533 PolarHBondContact NH1-O 2.7Å; R172-S533 PolarHBondContact NH1-OG 3.11Å; R172-S533 PolarHBondContact NH2-O 2.75Å; E227-S533 WeakPolarHBondContact OE1-CB 3.43Å; E227-S533 PolarHBondContact OE1-OG 3.5Å
534	L	98.6	Very high	92	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.4	165.1	-60.5	-178	0	0	0	108.8	M192 C193 Y472 M477 T480 D491 I493	M192-L534 CarbonylContact C-O 3.46Å; M192-L534 VanDerWaalsContact CA-O 3.23Å; M192-L534 WeakPolarHBondContact CA-O 3.28Å; C193-L534 HydrophobicContact CB-CB 4.22Å; C193-L534 PolarHBondContact N-O 3.34Å; C193-L534 PolarHBondContact O-N 3.2Å; Y472-L534 HydrophobicContact CD1-CD2 4.26Å; Y472-L534 HydrophobicContact CD2-CD1 4.42Å; Y472-L534 HydrophobicContact CD2-CD2 4.1Å; Y472-L534 HydrophobicContact CE1-CD2 3.92Å; Y472-L534 HydrophobicContact CE2-CB 3.85Å; Y472-L534 HydrophobicContact CE2-CD1 4.46Å; Y472-L534 HydrophobicContact CE2-CD2 3.78Å; Y472-L534 HydrophobicContact CE2-CG 4.25Å; Y472-L534 HydrophobicContact CG-CD2 4.34Å; M477-L534 HydrophobicContact CE-CD2 4.28Å; M477-L534 HydrophobicContact SD-CD2 3.48Å; M477-L534 WeakPolarHBondContact SD-CD2 3.38Å; T480-L534 HydrophobicContact CG2-CD2 3.86Å; T480-L534 HydrophobicContact CG2-CG 4.49Å; D491-L534 HydrophobicContact CB-CD1 3.92Å; D491-L534 HydrophobicContact CB-CG 4.43Å; D491-L534 WeakPolarHBondContact O-CD1 3.18Å; I493-L534 HydrophobicContact CD1-CB 3.7Å; I493-L534 HydrophobicContact CG1-CB 4.06Å; I493-L534 HydrophobicContact CG1-CD1 4.21Å
535	Y	98.4	Very high	90	Very high	33 Å²	33	26.6 Å²	26.6	13%	0.129	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	127	175.7	179.6	-75.5	0	0	0	109.5	W174 S190 V191 M192 C231 A233 Y472 I505 L506	W174-Y535 HydrophobicContact CH2-CD1 4.04Å; W174-Y535 AromaticContact CH2-CE1 3.74Å; W174-Y535 HydrophobicContact CH2-CE1 3.74Å; W174-Y535 AromaticContact CZ3-CD1 3.51Å; W174-Y535 HydrophobicContact CZ3-CD1 3.51Å; W174-Y535 AromaticContact CZ3-CE1 3.43Å; W174-Y535 HydrophobicContact CZ3-CE1 3.43Å; W174-Y535 VanDerWaalsContact CZ3-CE1 3.43Å; S190-Y535 WeakPolarHBondContact CB-OH 3.26Å; S190-Y535 PolarHBondContact OG-OH 3.21Å; S190-Y535 VanDerWaalsContact OG-OH 3.11Å; V191-Y535 WeakPolarHBondContact O-CA 3Å; M192-Y535 HydrophobicContact CB-CD2 4.39Å; C231-Y535 HydrophobicContact CB-CD2 3.7Å; C231-Y535 HydrophobicContact CB-CE2 3.93Å; C231-Y535 WeakPolarHBondContact O-CE2 3.31Å; A233-Y535 HydrophobicContact CB-CD2 3.91Å; A233-Y535 HydrophobicContact CB-CE2 3.59Å; Y472-Y535 PolarHBondContact OH-N 3.48Å; Y472-Y535 PolarHBondContact OH-O 2.72Å; I505-Y535 CarbonylContact C-O 3.51Å; I505-Y535 VanDerWaalsContact CA-O 3.27Å; I505-Y535 WeakPolarHBondContact CA-O 3.33Å; L506-Y535 HydrophobicContact CB-CD1 4.43Å; L506-Y535 HydrophobicContact CB-CG 4.49Å; L506-Y535 PolarHBondContact N-O 2.79Å
536	A	98.2	Very high	87.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.6	178.7	0	0	0	0	0	110.9	S190 V191 A471 I493 I505 L538	S190-A536 CarbonylContact C-O 3.39Å; S190-A536 VanDerWaalsContact CA-O 3.31Å; S190-A536 WeakPolarHBondContact CA-O 2.85Å; V191-A536 PolarHBondContact N-O 3.21Å; V191-A536 PolarHBondContact O-N 2.86Å; A471-A536 HydrophobicContact CB-CB 3.97Å; I493-A536 HydrophobicContact CD1-CB 4.28Å; I505-A536 HydrophobicContact CG2-CB 4.03Å; A536-L538 HydrophobicContact CB-CD2 4.24Å
537	Q	98.2	Very high	85	Confident	65 Å²	65	32.1 Å²	32.1	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.4	166.6	-176.7	174.9	57.7	0	0	109.1	W174 L503 G504	W174-Q537 HydrophobicContact CH2-CB 3.68Å; W174-Q537 HydrophobicContact CZ2-CB 3.86Å; L503-Q537 HydrophobicContact CB-CG 4.36Å; L503-Q537 HydrophobicContact CD1-CG 4.3Å; L503-Q537 PolarHBondContact N-O 3.46Å; G504-Q537 PolarHBondContact O-N 2.96Å
538	L	97	Very high	82.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.7	-178.4	-56.2	-176.3	0	0	0	110.9	L188 F189 V191 V408 L500 N501 V502 A536	L188-L538 WeakPolarHBondContact CA-O 3.22Å; F189-L538 HydrophobicContact CD1-CB 4.4Å; F189-L538 HydrophobicContact CE1-CB 3.89Å; F189-L538 HydrophobicContact CE2-CB 4.26Å; F189-L538 HydrophobicContact CE2-CD1 3.97Å; F189-L538 HydrophobicContact CZ-CB 3.83Å; F189-L538 HydrophobicContact CZ-CD1 3.83Å; F189-L538 HydrophobicContact CZ-CG 4.43Å; F189-L538 PolarHBondContact N-O 3.33Å; F189-L538 PolarHBondContact O-N 2.93Å; F189-L538 VanDerWaalsContact O-O 3.11Å; V191-L538 HydrophobicContact CG2-CD1 3.72Å; V191-L538 HydrophobicContact CG2-CG 4.31Å; V408-L538 HydrophobicContact CG1-CD1 4.47Å; V408-L538 HydrophobicContact CG2-CD1 3.73Å; L500-L538 HydrophobicContact CD2-CB 4.36Å; N501-L538 CarbonylContact O-C 3.55Å; N501-L538 VanDerWaalsContact O-CA 3.28Å; N501-L538 WeakPolarHBondContact O-CA 3.36Å; V502-L538 HydrophobicContact CB-CD2 4.26Å; V502-L538 HydrophobicContact CG1-CD2 4.41Å; V502-L538 HydrophobicContact CG2-CD2 3.57Å; A536-L538 HydrophobicContact CB-CD2 4.24Å
539	E	94.6	Very high	79.6	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.8	172.2	171.9	-174.9	-108.8	0	0	108.6	P180 D181 A186 L188 L500 N501 L503 L541	P180-E539 WeakPolarHBondContact CA-OE1 3.5Å; P180-E539 VanDerWaalsContact CB-OE1 3.31Å; P180-E539 WeakPolarHBondContact CB-OE1 3.35Å; D181-E539 PolarHBondContact N-OE1 3.48Å; D181-E539 PolarHBondContact N-OE2 3.08Å; A186-E539 HydrophobicContact CB-CG 3.62Å; L188-E539 HydrophobicContact CD2-CB 3.61Å; L188-E539 HydrophobicContact CD2-CG 3.81Å; L500-E539 CarbonylContact C-O 3.56Å; L500-E539 VanDerWaalsContact CA-O 3.31Å; L500-E539 WeakPolarHBondContact CA-O 3.48Å; N501-E539 HydrophobicContact CB-CB 3.88Å; N501-E539 HydrophobicContact CB-CG 4.38Å; N501-E539 WeakPolarHBondContact CB-OE2 3.49Å; N501-E539 PolarHBondContact N-O 2.99Å; N501-E539 PolarHBondContact ND2-OE2 3.34Å; N501-E539 PolarHBondContact O-N 3.44Å; L503-E539 HydrophobicContact CD1-CB 4.12Å; L503-E539 HydrophobicContact CD2-CB 4.04Å; L503-E539 HydrophobicContact CG-CB 4.02Å; E539-L541 HydrophobicContact CG-CD2 4.33Å
540	L	92.4	Very high	76.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.7	172.9	174.9	61.7	0	0	0	110.1	A186 T187 F189 V334 Q353 P406 H499 L500 L542	A186-L540 CarbonylContact C-O 3.52Å; A186-L540 WeakPolarHBondContact CA-O 3.43Å; A186-L540 WeakPolarHBondContact CB-O 3.38Å; T187-L540 PolarHBondContact N-O 3.25Å; T187-L540 PolarHBondContact O-N 3.08Å; F189-L540 HydrophobicContact CE1-CB 4Å; V334-L540 HydrophobicContact CG2-CD2 4.23Å; Q353-L540 HydrophobicContact CG-CD2 3.88Å; P406-L540 HydrophobicContact CB-CD1 4.19Å; P406-L540 HydrophobicContact CG-CD1 3.75Å; H499-L540 HydrophobicContact CB-CD1 4.43Å; L500-L540 HydrophobicContact CD2-CB 3.82Å; L500-L540 HydrophobicContact CD2-CD1 3.94Å; L500-L540 HydrophobicContact CD2-CG 4.49Å; L500-L540 HydrophobicContact CG-CD1 4.34Å; L540-L542 HydrophobicContact CD2-CD2 4.46Å; L540-L542 HydrophobicContact CG-CD2 4.46Å; L540-L542 PolarHBondContact O-N 3.12Å
541	L	87.5	Confident	74.1	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.068	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.9	178.1	-59.1	163.2	0	0	0	109.2	D181 A186 H499 E539	D181-L541 HydrophobicContact CB-CD2 4.08Å; A186-L541 HydrophobicContact CB-CD2 4.37Å; H499-L541 WeakPolarHBondContact O-CB 3.42Å; H499-L541 PolarHBondContact O-N 3.5Å; E539-L541 HydrophobicContact CG-CD2 4.33Å
542	L	78.1	Confident	71.2	Confident	5 Å²	5	62 Å²	62	3%	0.026	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-82.5	150.5	179.2	-59	174.3	0	0	0	110.4	P185 M339 Q353 L540 N544	P185-L542 HydrophobicContact CB-CB 4.46Å; P185-L542 HydrophobicContact CB-CD1 4.32Å; P185-L542 HydrophobicContact CG-CB 4.21Å; P185-L542 VanDerWaalsContact O-CB 3.31Å; P185-L542 WeakPolarHBondContact O-CB 3.35Å; P185-L542 PolarHBondContact O-N 3.28Å; M339-L542 HydrophobicContact CB-CD1 3.96Å; M339-L542 HydrophobicContact CG-CD1 3.93Å; M339-L542 HydrophobicContact CG-CD2 4.41Å; M339-L542 HydrophobicContact SD-CD1 4.12Å; M339-L542 HydrophobicContact SD-CD2 3.92Å; Q353-L542 HydrophobicContact CG-CD2 3.87Å; L540-L542 HydrophobicContact CD2-CD2 4.46Å; L540-L542 HydrophobicContact CG-CD2 4.46Å; L540-L542 PolarHBondContact O-N 3.12Å; L542-N544 PolarHBondContact O-N 3.13Å
543	P	68.4	Low	68.4	Low	78 Å²	78	70 Å²	70	51%	0.506	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-57.7	139	174.9	-21.1	31.5	0	0	0	111.4	V545	P543-V545 PolarHBondContact O-N 3.26Å
544	N	58.5	Low	65.5	Low	115 Å²	115	77.1 Å²	77.1	62%	0.615	44%	0.437	S	S	*	.			trans	-65	109.4	173.7	-86	-11.3	0	0	0	109.6	L542 P546	L542-N544 PolarHBondContact O-N 3.13Å; N544-P546 WeakPolarHBondContact O-CD 3.44Å
545	V	51.4	Low	62.8	Low	93 Å²	93	82.4 Å²	82.4	56%	0.564	47%	0.471	S	S	*	.			trans	-76.7	112.1	164.6	-172.2	0	0	0	0	106.7	L347 L350 P543 S547	L347-V545 HydrophobicContact CD2-CG2 4.36Å; L350-V545 HydrophobicContact CD1-CG2 3.21Å; P543-V545 PolarHBondContact O-N 3.26Å; V545-S547 PolarHBondContact O-N 3.03Å
546	P	41.8	Very low	60.1	Low	107 Å²	107	85.6 Å²	85.6	70%	0.695	51%	0.505	S	S	*	.			trans	-58.6	132.2	170	23.9	-30.4	0	0	0	107.9	N544 Q548	N544-P546 WeakPolarHBondContact O-CD 3.44Å; P546-Q548 PolarHBondContact O-N 3.07Å; P546-Q548 VanDerWaalsContact O-N 3.13Å
547	S	38.1	Very low	57.5	Low	99 Å²	99	97.3 Å²	97.3	69%	0.692	55%	0.549	S	S	*	.			trans	-48.3	123.7	170.7	48.2	0	0	0	0	108.6	V545 V549	V545-S547 PolarHBondContact O-N 3.03Å; S547-V549 PolarHBondContact O-N 3.36Å
548	Q	40.4	Very low	54.9	Low	176 Å²	176	109.4 Å²	109.4	82%	0.822	59%	0.592	S	S	*	*			trans	-57.3	97.9	163.4	-78.1	-176.1	-12.1	0	0	106.9	P546 N550	P546-Q548 PolarHBondContact O-N 3.07Å; P546-Q548 VanDerWaalsContact O-N 3.13Å; Q548-N550 VanDerWaalsContact C-N 3.34Å; Q548-N550 PolarHBondContact O-N 3.36Å
549	V	38.3	Very low	52.8	Low	124 Å²	124	114.9 Å²	114.9	75%	0.752	62%	0.621	S	S	*	*			trans	-65.1	105.1	164.3	-179.1	0	0	0	0	103.9	S547 G551	S547-V549 PolarHBondContact O-N 3.36Å; V549-G551 VanDerWaalsContact C-N 3.34Å; V549-G551 PolarHBondContact O-N 3.06Å
550	N	40.7	Very low	50.6	Low	141 Å²	141	120.8 Å²	120.8	75%	0.754	65%	0.653	S	S	*	*			trans	-50.7	102.9	170.9	-79.6	-27.9	0	0	0	107.7	Q548 L552	Q548-N550 VanDerWaalsContact C-N 3.34Å; Q548-N550 PolarHBondContact O-N 3.36Å; N550-L552 VanDerWaalsContact C-N 3.28Å; N550-L552 PolarHBondContact O-N 3.37Å
551	G	41.1	Very low	48.2	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	69%	0.689	S	S	*	*			trans	-67.1	85.8	-179.8	0	0	0	0	0	110.1	V549 H553	V549-G551 VanDerWaalsContact C-N 3.34Å; V549-G551 PolarHBondContact O-N 3.06Å; G551-H553 PolarHBondContact O-N 3Å
552	L	36.5	Very low	45.9	Very low	157 Å²	157	134.1 Å²	134.1	82%	0.822	73%	0.725	S	S	*	*			trans	-71.5	89.3	156	-93.4	154.9	0	0	0	106.9	N550 L554	N550-L552 VanDerWaalsContact C-N 3.28Å; N550-L552 PolarHBondContact O-N 3.37Å; L552-L554 PolarHBondContact O-N 3.24Å
553	H	40.2	Very low	43.9	Very low	183 Å²	183	142.2 Å²	142.2	85%	0.847	77%	0.769	S	S	*	*			trans	-60.7	99.8	161.8	-106.1	-67.6	0	0	0	108	G551	G551-H553 PolarHBondContact O-N 3Å
554	L	38	Very low	42.3	Very low	151 Å²	151	146.5 Å²	146.5	79%	0.791	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73.7	122.7	162.1	-76.8	166.6	0	0	0	107.6	L552 A556	L552-L554 PolarHBondContact O-N 3.24Å; L554-A556 PolarHBondContact O-N 3.46Å
555	P	41.9	Very low	41.1	Very low	113 Å²	113	148.7 Å²	148.7	73%	0.734	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.2	122.2	175.9	21.2	-20.2	0	0	0	108.6	R557	P555-R557 PolarHBondContact O-N 3.22Å; P555-R557 VanDerWaalsContact O-N 3.1Å
556	A	40.4	Very low	40.3	Very low	100 Å²	100	153 Å²	153	83%	0.826	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-55	116.4	169.2	0	0	0	0	0	108.7	L554	L554-A556 PolarHBondContact O-N 3.46Å
557	R	44.5	Very low	40.2	Very low	246 Å²	246	156.8 Å²	156.8	93%	0.928	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69.3	135	169.3	-83.5	-174.7	173	-168.5	-1.2	108.6	P555	P555-R557 PolarHBondContact O-N 3.22Å; P555-R557 VanDerWaalsContact O-N 3.1Å
558	R	42.5	Very low	40.4	Very low	319 Å²	319	162.1 Å²	162.1	100%	1.204	84%	0.839	S	S	*	*			trans	-49.3	0	179.1	-72.2	178	175.1	179.9	-2.7	114.3

Retrieved 558 of 558 residues in 402 ms (Link to these results)

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