A0A096MS88_PAPAN Loading...

Neuronal acetylcholine receptor subunit beta-3

Component of neuronal acetylcholine receptors (nAChRs) that function as pentameric, ligand-gated cation channels with high calcium permeability among other activities. nAChRs are excitatory neurotrasnmitter receptors formed by a collection of nAChR subunits known to mediate synaptic transmission in the nervous system and the neuromuscular junction. Each nAchR subunit confers differential attributes to channel properties, including activation, deactivation and desensitization kinetics, pH sensitivity, cation permeability, and binding to allosteric modulators. Has an accessory rather than functional role and is only able to form functional nAChRs when co-assembled with another beta subunit. Participates in pentameric assemblies along with CHRNA3, CHRNA4, CHRNA6, CHRNB2 and CHRNB4. Modulates receptor assembly and increases receptor sensitivity to nicotine when associated with CHRNB2, CHRNA4 and/or CHRNA6 as well as CHRNA3 and CHRNB4. Seems to play a role in nicotine addiction.

AlphaFold DB (G7MZ80), UniProt , Accession A0A096MS88, Species PAPAN (Papio anubis, Olive baboon), Gene CHRNB3, Length 458 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	39.4	Very low	46	Very low	228 Å²	228	146.5 Å²	146.5	100%	1.123	75%	0.752	S	S	*	*				0	107.8	0	-77.3	-177.2	171.5	0	0	107.4
2	L	40.5	Very low	46.2	Very low	126 Å²	126	145.3 Å²	145.3	66%	0.66	75%	0.748	S	S	*	*			cis	-143.5	108.7	2.5	-85.9	105.7	0	0	0	106.8	D4	L2-D4 HydrophobicContact CB-CB 4.21Å; L2-D4 HydrophobicContact CD2-CB 4.04Å; L2-D4 WeakPolarHBondContact CD2-OD2 3.27Å; L2-D4 PolarHBondContact O-N 3.1Å; L2-D4 VanDerWaalsContact O-N 3.1Å
3	P	47.3	Very low	46.4	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	75%	0.75	S	S	*	*			trans	-78.8	53.2	163.1	36	-31	0	0	0	109.7
4	D	47.8	Very low	46.4	Very low	94 Å²	94	139.8 Å²	139.8	50%	0.503	75%	0.747	S	S	.	*			trans	-125.9	5.2	-169.1	-68.1	-52.6	0	0	0	114.5	L2	L2-D4 HydrophobicContact CB-CB 4.21Å; L2-D4 HydrophobicContact CD2-CB 4.04Å; L2-D4 WeakPolarHBondContact CD2-OD2 3.27Å; L2-D4 PolarHBondContact O-N 3.1Å; L2-D4 VanDerWaalsContact O-N 3.1Å
5	F	44.5	Very low	46.2	Very low	181 Å²	181	137.5 Å²	137.5	79%	0.794	74%	0.743	S	S	*	*	S	Bend	trans	-100.1	-17	179.4	-101.9	-85.7	0	0	0	115.2
6	M	46.3	Very low	46.1	Very low	168 Å²	168	136.3 Å²	136.3	83%	0.828	75%	0.748	S	S	*	*	S	Bend	trans	-87.8	-11	-178.6	-82.5	-72.3	-79.3	0	0	114.1
7	L	47.8	Very low	46	Very low	133 Å²	133	134.3 Å²	134.3	70%	0.696	75%	0.746	S	S	*	*	S	Bend	trans	-94.6	-12.1	-174.6	-141	77.8	0	0	0	114.2
8	I	47.4	Very low	46	Very low	122 Å²	122	131.9 Å²	131.9	63%	0.626	75%	0.747	S	S	*	*	S	Bend	trans	-91	-19.3	-174.9	-65.9	175	0	0	0	112.8	I10	I8-I10 VanDerWaalsContact C-N 3.34Å; I8-I10 PolarHBondContact O-N 2.85Å
9	L	44.3	Very low	45.9	Very low	153 Å²	153	132.2 Å²	132.2	80%	0.801	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-6.2	178.4	-103.9	135.2	0	0	0	114.6
10	I	49.8	Very low	46.2	Very low	142 Å²	142	130.1 Å²	130.1	73%	0.728	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-11.7	178.3	-61.4	176.4	0	0	0	111.9	I8	I8-I10 VanDerWaalsContact C-N 3.34Å; I8-I10 PolarHBondContact O-N 2.85Å
11	I	51.4	Low	46.6	Very low	143 Å²	143	127.1 Å²	127.1	73%	0.733	75%	0.749	S	S	*	*	S	Bend	trans	-99.3	-13.3	-174.7	-62	178.2	0	0	0	113.4	G13	I11-G13 PolarHBondContact O-N 3.19Å
12	L	47.8	Very low	47.4	Very low	133 Å²	133	126.2 Å²	126.2	70%	0.696	74%	0.739	S	S	*	*	S	Bend	trans	-89.8	90.5	167.3	-77.5	160.6	0	0	0	108.7	I14	L12-I14 PolarHBondContact O-N 3.16Å
13	G	48.6	Very low	48.5	Very low	75 Å²	75	123.3 Å²	123.3	77%	0.773	73%	0.729	S	S	*	*			trans	-59.7	77.5	168.4	0	0	0	0	0	111.4	I11 P15	I11-G13 PolarHBondContact O-N 3.19Å; G13-P15 VanDerWaalsContact O-CD 3.31Å; G13-P15 WeakPolarHBondContact O-CD 3.31Å
14	I	47.1	Very low	50.2	Low	138 Å²	138	120.1 Å²	120.1	71%	0.708	71%	0.71	S	S	*	*			trans	-76.8	111.4	165.1	-58.4	174.7	0	0	0	104.8	L12 S16	L12-I14 PolarHBondContact O-N 3.16Å; I14-S16 PolarHBondContact O-N 3.14Å
15	P	43.3	Very low	51.9	Low	106 Å²	106	121.2 Å²	121.2	69%	0.688	71%	0.714	S	S	*	*			trans	-58.7	134.3	173.2	26.4	-32.1	0	0	0	107.3	G13 S17	G13-P15 VanDerWaalsContact O-CD 3.31Å; G13-P15 WeakPolarHBondContact O-CD 3.31Å; P15-S17 PolarHBondContact O-N 3.02Å
16	S	44.7	Very low	54	Low	118 Å²	118	115.5 Å²	115.5	83%	0.825	70%	0.701	S	S	*	*			trans	-57	94.9	168.8	58.1	0	0	0	0	107.5	I14 A18	I14-S16 PolarHBondContact O-N 3.14Å; S16-A18 PolarHBondContact O-N 2.77Å
17	S	44	Very low	56.1	Low	102 Å²	102	113.4 Å²	113.4	71%	0.713	69%	0.689	S	S	*	*			trans	-51	114.5	165.8	-45.1	0	0	0	0	105.4	P15 T19	P15-S17 PolarHBondContact O-N 3.02Å; S17-T19 PolarHBondContact O-N 2.78Å
18	A	45.3	Very low	58.2	Low	92 Å²	92	108.5 Å²	108.5	76%	0.76	66%	0.663	S	S	*	*			trans	-45.2	118.2	173.6	0	0	0	0	0	107.2	S16 A20	S16-A18 PolarHBondContact O-N 2.77Å; A18-A20 PolarHBondContact O-N 2.76Å
19	T	45.7	Very low	60.3	Low	137 Å²	137	106 Å²	106	84%	0.84	65%	0.649	S	S	*	*			trans	-60.3	92.2	162.3	43.7	0	0	0	0	104.9	S17 G21	S17-T19 PolarHBondContact O-N 2.78Å; T19-G21 PolarHBondContact O-N 2.82Å
20	A	51.3	Low	62.6	Low	90 Å²	90	102.1 Å²	102.1	74%	0.744	63%	0.629	S	S	*	*			trans	-56.7	100.3	162.5	0	0	0	0	0	104.4	A18 F22	A18-A20 PolarHBondContact O-N 2.76Å; A20-F22 PolarHBondContact O-N 2.96Å
21	G	55.2	Low	64.7	Low	68 Å²	68	97.6 Å²	97.6	70%	0.701	61%	0.613	S	S	*	*			trans	-53.6	117.4	179.4	0	0	0	0	0	106.7	T19 S23	T19-G21 PolarHBondContact O-N 2.82Å; G21-S23 PolarHBondContact O-N 3.31Å
22	F	54.6	Low	66.8	Low	209 Å²	209	90.8 Å²	90.8	92%	0.917	58%	0.578	S	S	*	*			trans	-69.8	86.8	177.3	-143.5	-92.6	0	0	0	106.2	A20 S24	A20-F22 PolarHBondContact O-N 2.96Å; F22-S24 PolarHBondContact O-N 2.85Å
23	S	64.6	Low	69	Low	65 Å²	65	86.9 Å²	86.9	46%	0.455	56%	0.557	S	S	.	*			trans	-65.4	120.5	176.3	68.1	0	0	0	0	107.2	G21 I25 N28	G21-S23 PolarHBondContact O-N 3.31Å; S23-I25 PolarHBondContact O-N 2.71Å; S23-N28 PolarHBondContact OG-ND2 3.47Å
24	S	83.3	Confident	71.2	Confident	53 Å²	53	91.5 Å²	91.5	37%	0.371	55%	0.551	S	S	.	*			trans	-65	137.2	177.2	178.7	0	0	0	0	109.3	F22 A26 E27 N28	F22-S24 PolarHBondContact O-N 2.85Å; S24-A26 PolarHBondContact O-N 3.09Å; S24-A26 VanDerWaalsContact O-N 3.14Å; S24-A26 PolarHBondContact OG-N 2.88Å; S24-E27 PolarHBondContact N-OE2 3.28Å; S24-E27 WeakPolarHBondContact O-CB 3.38Å; S24-E27 PolarHBondContact O-N 3.28Å; S24-N28 PolarHBondContact O-N 2.81Å; S24-N28 VanDerWaalsContact O-N 3.1Å
25	I	83.7	Confident	73.4	Confident	117 Å²	117	89.9 Å²	89.9	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-54.8	-34.2	174.5	-65.8	171	0	0	0	110.4	S23 N28 E29	S23-I25 PolarHBondContact O-N 2.71Å; I25-N28 PolarHBondContact O-N 3.22Å; I25-E29 WeakPolarHBondContact O-CB 3.47Å; I25-E29 PolarHBondContact O-N 2.99Å
26	A	87.5	Confident	75.9	Confident	62 Å²	62	85.4 Å²	85.4	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-34.3	176.9	0	0	0	0	0	113.2	S24 D30	S24-A26 PolarHBondContact O-N 3.09Å; S24-A26 VanDerWaalsContact O-N 3.14Å; S24-A26 PolarHBondContact OG-N 2.88Å; A26-D30 WeakPolarHBondContact O-CB 3.44Å; A26-D30 PolarHBondContact O-N 3.31Å
27	E	90.2	Very high	78.2	Confident	123 Å²	123	82.3 Å²	82.3	58%	0.575	48%	0.483	S	S	*	.	H	α-helix	trans	-71.3	-39.5	175.7	-70.1	170.1	167.8	0	0	110.8	S24 D30 A31	S24-E27 PolarHBondContact N-OE2 3.28Å; S24-E27 WeakPolarHBondContact O-CB 3.38Å; S24-E27 PolarHBondContact O-N 3.28Å; E27-D30 PolarHBondContact O-N 3.07Å; E27-A31 WeakPolarHBondContact O-CB 3.38Å; E27-A31 PolarHBondContact O-N 3Å
28	N	91.5	Very high	80.6	Confident	31 Å²	31	84.9 Å²	84.9	17%	0.166	48%	0.484	C	S	.	.	H	α-helix	trans	-65.6	-38.1	174.1	-67.9	-20.5	0	0	0	111.7	S23 S24 I25 L32 I100	S23-N28 PolarHBondContact OG-ND2 3.47Å; S24-N28 PolarHBondContact O-N 2.81Å; S24-N28 VanDerWaalsContact O-N 3.1Å; I25-N28 PolarHBondContact O-N 3.22Å; N28-L32 VanDerWaalsContact O-CB 3.27Å; N28-L32 WeakPolarHBondContact O-CB 3.21Å; N28-L32 PolarHBondContact O-N 3.29Å; N28-I100 HydrophobicContact CB-CD1 4.23Å
29	E	92.7	Very high	82.8	Confident	70 Å²	70	84.3 Å²	84.3	33%	0.327	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-42.2	175.1	-169.6	173.5	-173.6	0	0	112.1	I25 L32 L33 I100 I103	I25-E29 WeakPolarHBondContact O-CB 3.47Å; I25-E29 PolarHBondContact O-N 2.99Å; E29-L32 PolarHBondContact O-N 2.87Å; E29-L33 HydrophobicContact CG-CD1 4.45Å; E29-L33 WeakPolarHBondContact O-CG 3.24Å; E29-L33 PolarHBondContact O-N 3.44Å; E29-I100 HydrophobicContact CB-CD1 3.82Å; E29-I100 HydrophobicContact CG-CD1 4.44Å; E29-I103 HydrophobicContact CG-CG2 4.32Å
30	D	93	Very high	85.1	Confident	71 Å²	71	79.2 Å²	79.2	38%	0.38	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-44.3	174.8	177.1	61.6	0	0	0	111.9	A26 E27 L32 L33 R34	A26-D30 WeakPolarHBondContact O-CB 3.44Å; A26-D30 PolarHBondContact O-N 3.31Å; E27-D30 PolarHBondContact O-N 3.07Å; D30-L32 VanDerWaalsContact C-N 3.33Å; D30-L32 PolarHBondContact O-N 3.34Å; D30-L33 PolarHBondContact O-N 3.35Å; D30-R34 WeakPolarHBondContact O-CG 3.4Å; D30-R34 PolarHBondContact O-N 3.49Å; D30-R34 IonicContact OD1-CZ 2.67Å; D30-R34 IonicContact OD1-NE 3.02Å; D30-R34 PolarHBondContact OD1-NE 3.42Å; D30-R34 IonicContact OD1-NH2 3.92Å; D30-R34 IonicContact OD2-CZ 2.71Å; D30-R34 IonicContact OD2-NE 3.03Å; D30-R34 PolarHBondContact OD2-NE 3.34Å; D30-R34 IonicContact OD2-NH1 2.68Å; D30-R34 IonicContact OD2-NH2 3.14Å; D30-R34 PolarHBondContact OD2-NH2 3.02Å
31	A	93.7	Very high	87.1	Confident	46 Å²	46	79.5 Å²	79.5	38%	0.38	44%	0.438	S	S	.	.	H	α-helix	trans	-60.5	-42	174.7	0	0	0	0	0	111.9	E27 R34 H35	E27-A31 WeakPolarHBondContact O-CB 3.38Å; E27-A31 PolarHBondContact O-N 3Å; A31-R34 PolarHBondContact O-N 3.37Å; A31-H35 WeakPolarHBondContact O-CB 3.37Å; A31-H35 PolarHBondContact O-N 3.25Å
32	L	95	Very high	88.9	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-47.9	175	176.4	60.5	0	0	0	111.6	N28 E29 D30 R34 H35 L36 W92 Y97 I100 I103	N28-L32 VanDerWaalsContact O-CB 3.27Å; N28-L32 WeakPolarHBondContact O-CB 3.21Å; N28-L32 PolarHBondContact O-N 3.29Å; E29-L32 PolarHBondContact O-N 2.87Å; D30-L32 VanDerWaalsContact C-N 3.33Å; D30-L32 PolarHBondContact O-N 3.34Å; L32-R34 PolarHBondContact O-N 2.98Å; L32-H35 PolarHBondContact O-N 3.12Å; L32-L36 HydrophobicContact CD1-CD1 3.75Å; L32-L36 HydrophobicContact CD1-CD2 4.33Å; L32-L36 HydrophobicContact CD1-CG 3.79Å; L32-L36 HydrophobicContact CG-CD1 3.87Å; L32-L36 HydrophobicContact CG-CG 4.29Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 2.89Å; L32-W92 HydrophobicContact CD1-CB 3.73Å; L32-W92 HydrophobicContact CD1-CD2 3.97Å; L32-W92 HydrophobicContact CD1-CG 3.57Å; L32-W92 HydrophobicContact CD2-CD2 4.03Å; L32-W92 HydrophobicContact CD2-CG 4.19Å; L32-W92 HydrophobicContact CD2-CZ2 4.17Å; L32-Y97 HydrophobicContact CB-CD1 3.61Å; L32-Y97 HydrophobicContact CB-CE1 3.93Å; L32-Y97 HydrophobicContact CB-CG 4.03Å; L32-Y97 HydrophobicContact CD1-CD1 4.1Å; L32-Y97 HydrophobicContact CD1-CD2 3.79Å; L32-Y97 HydrophobicContact CD1-CE1 4.07Å; L32-Y97 HydrophobicContact CD1-CE2 3.75Å; L32-Y97 HydrophobicContact CD1-CG 3.95Å; L32-Y97 HydrophobicContact CG-CD1 4.38Å; L32-Y97 HydrophobicContact CG-CG 4.38Å; L32-I100 HydrophobicContact CD2-CB 4.45Å; L32-I100 HydrophobicContact CD2-CG2 4.05Å; L32-I103 HydrophobicContact CD2-CG2 3.79Å
33	L	94.3	Very high	90.7	Very high	52 Å²	52	79.1 Å²	79.1	27%	0.272	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-44.3	178.5	-76.2	170.2	0	0	0	111.5	E29 D30 H35 L36 F37 I103 V105	E29-L33 HydrophobicContact CG-CD1 4.45Å; E29-L33 WeakPolarHBondContact O-CG 3.24Å; E29-L33 PolarHBondContact O-N 3.44Å; D30-L33 PolarHBondContact O-N 3.35Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.49Å; L33-L36 PolarHBondContact O-N 3.06Å; L33-F37 HydrophobicContact CD2-CD2 4.21Å; L33-F37 HydrophobicContact CD2-CE2 3.92Å; L33-F37 VanDerWaalsContact O-CD2 3.32Å; L33-F37 WeakPolarHBondContact O-CD2 3.16Å; L33-F37 PolarHBondContact O-N 3.39Å; L33-F37 VanDerWaalsContact O-N 3.07Å; L33-I103 HydrophobicContact CD2-CD1 3.9Å; L33-V105 HydrophobicContact CD2-CG2 3.91Å
34	R	93.9	Very high	92	Very high	171 Å²	171	79.6 Å²	79.6	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-42.8	176.3	-70	177.1	-165.7	-172.9	5.3	111.8	D30 A31 L32 Q38	D30-R34 WeakPolarHBondContact O-CG 3.4Å; D30-R34 PolarHBondContact O-N 3.49Å; D30-R34 IonicContact OD1-CZ 2.67Å; D30-R34 IonicContact OD1-NE 3.02Å; D30-R34 PolarHBondContact OD1-NE 3.42Å; D30-R34 IonicContact OD1-NH2 3.92Å; D30-R34 IonicContact OD2-CZ 2.71Å; D30-R34 IonicContact OD2-NE 3.03Å; D30-R34 PolarHBondContact OD2-NE 3.34Å; D30-R34 IonicContact OD2-NH1 2.68Å; D30-R34 IonicContact OD2-NH2 3.14Å; D30-R34 PolarHBondContact OD2-NH2 3.02Å; A31-R34 PolarHBondContact O-N 3.37Å; L32-R34 PolarHBondContact O-N 2.98Å; R34-Q38 WeakPolarHBondContact O-CB 3.33Å; R34-Q38 PolarHBondContact O-N 3.41Å; R34-Q38 VanDerWaalsContact O-N 3.17Å
35	H	94.5	Very high	92.4	Very high	105 Å²	105	78.9 Å²	78.9	49%	0.486	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-48.5	178.6	178	-110.1	0	0	0	112.4	A31 L32 L33 F37 Q38 Y97	A31-H35 WeakPolarHBondContact O-CB 3.37Å; A31-H35 PolarHBondContact O-N 3.25Å; L32-H35 PolarHBondContact O-N 3.12Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.49Å; H35-F37 PolarHBondContact O-N 3.43Å; H35-Q38 PolarHBondContact O-N 3.41Å; H35-Y97 PolarHBondContact ND1-OH 2.94Å; H35-Y97 VanDerWaalsContact ND1-OH 3.13Å
36	L	94.3	Very high	92.9	Very high	11 Å²	11	73.6 Å²	73.6	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-36.5	-177.8	-70.2	178.1	0	0	0	113.2	L32 L33 W92 I103	L32-L36 HydrophobicContact CD1-CD1 3.75Å; L32-L36 HydrophobicContact CD1-CD2 4.33Å; L32-L36 HydrophobicContact CD1-CG 3.79Å; L32-L36 HydrophobicContact CG-CD1 3.87Å; L32-L36 HydrophobicContact CG-CG 4.29Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 2.89Å; L33-L36 PolarHBondContact O-N 3.06Å; L36-W92 HydrophobicContact CD1-CD2 4.49Å; L36-W92 HydrophobicContact CD1-CE3 3.82Å; L36-W92 HydrophobicContact CD1-CZ3 4.12Å; L36-W92 HydrophobicContact CD2-CB 4.47Å; L36-W92 HydrophobicContact CD2-CE3 4.35Å; L36-I103 HydrophobicContact CD1-CD1 3.57Å
37	F	94.9	Very high	93.2	Very high	53 Å²	53	72.1 Å²	72.1	23%	0.232	36%	0.358	C	S	.	.	H	α-helix	trans	-94.2	0	-176.7	-71.5	-80.2	0	0	0	113.9	L33 H35 G39 Y40 L90 V105 L110	L33-F37 HydrophobicContact CD2-CD2 4.21Å; L33-F37 HydrophobicContact CD2-CE2 3.92Å; L33-F37 VanDerWaalsContact O-CD2 3.32Å; L33-F37 WeakPolarHBondContact O-CD2 3.16Å; L33-F37 PolarHBondContact O-N 3.39Å; L33-F37 VanDerWaalsContact O-N 3.07Å; H35-F37 PolarHBondContact O-N 3.43Å; F37-G39 PolarHBondContact O-N 3.17Å; F37-Y40 HydrophobicContact CD1-CD1 4.31Å; F37-Y40 HydrophobicContact CD1-CG 4.32Å; F37-Y40 HydrophobicContact CE1-CD1 4.35Å; F37-Y40 PolarHBondContact O-N 3.39Å; F37-L90 HydrophobicContact CZ-CD2 4.24Å; F37-V105 HydrophobicContact CE1-CG1 4.21Å; F37-V105 HydrophobicContact CE2-CG1 3.88Å; F37-V105 HydrophobicContact CE2-CG2 3.99Å; F37-V105 HydrophobicContact CZ-CB 4.34Å; F37-V105 HydrophobicContact CZ-CG1 3.45Å; F37-V105 VanDerWaalsContact CZ-CG1 3.45Å; F37-V105 HydrophobicContact CZ-CG2 4.09Å; F37-L110 HydrophobicContact CE1-CD2 3.61Å; F37-L110 HydrophobicContact CE1-CG 4.11Å; F37-L110 HydrophobicContact CZ-CD2 3.68Å; F37-L110 HydrophobicContact CZ-CG 4.2Å
38	Q	94	Very high	93.2	Very high	157 Å²	157	72.4 Å²	72.4	73%	0.734	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	105	174.8	-172.3	172.7	6	0	0	110.5	R34 H35 Y40	R34-Q38 WeakPolarHBondContact O-CB 3.33Å; R34-Q38 PolarHBondContact O-N 3.41Å; R34-Q38 VanDerWaalsContact O-N 3.17Å; H35-Q38 PolarHBondContact O-N 3.41Å; Q38-Y40 VanDerWaalsContact C-N 3.27Å; Q38-Y40 PolarHBondContact O-N 2.95Å
39	G	90	Very high	93.3	Very high	79 Å²	79	76.8 Å²	76.8	81%	0.814	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	12.9	-179.2	0	0	0	0	0	114.7	F37 Q41	F37-G39 PolarHBondContact O-N 3.17Å; G39-Q41 PolarHBondContact O-N 3.29Å
40	Y	95.1	Very high	93	Very high	30 Å²	30	78.3 Å²	78.3	12%	0.118	40%	0.401	C	S	.	.			trans	-66.9	126	174.2	-176	-89.3	0	0	0	110.3	F37 Q38 K42 D87 K89 L90 L110 W111	F37-Y40 HydrophobicContact CD1-CD1 4.31Å; F37-Y40 HydrophobicContact CD1-CG 4.32Å; F37-Y40 HydrophobicContact CE1-CD1 4.35Å; F37-Y40 PolarHBondContact O-N 3.39Å; Q38-Y40 VanDerWaalsContact C-N 3.27Å; Q38-Y40 PolarHBondContact O-N 2.95Å; Y40-K42 HydrophobicContact CE1-CB 4.13Å; Y40-D87 WeakPolarHBondContact CE2-OD2 3.32Å; Y40-D87 PolarHBondContact OH-OD2 3.09Å; Y40-K89 HydrophobicContact CD2-CB 4.14Å; Y40-K89 HydrophobicContact CD2-CD 4.25Å; Y40-K89 HydrophobicContact CE2-CB 4.06Å; Y40-K89 HydrophobicContact CE2-CD 4.22Å; Y40-L90 HydrophobicContact CD2-CD2 4.02Å; Y40-L90 HydrophobicContact CE2-CD1 4.49Å; Y40-L90 HydrophobicContact CE2-CD2 3.81Å; Y40-L90 HydrophobicContact CE2-CG 4.07Å; Y40-L110 HydrophobicContact CE1-CD2 4.12Å; Y40-W111 PolarHBondContact OH-N 3.27Å
41	Q	93.6	Very high	92.9	Very high	97 Å²	97	82.3 Å²	82.3	45%	0.453	42%	0.422	S	S	.	.			trans	-111.9	107.2	-179.1	-165	51.8	-86.7	0	0	111.6	G39 W43 V44	G39-Q41 PolarHBondContact O-N 3.29Å; Q41-W43 VanDerWaalsContact C-N 3.31Å; Q41-W43 PolarHBondContact O-N 2.76Å; Q41-V44 HydrophobicContact CB-CG2 4.4Å; Q41-V44 HydrophobicContact CG-CG2 4.12Å; Q41-V44 PolarHBondContact O-N 2.58Å
42	K	92.7	Very high	93	Very high	73 Å²	73	83 Å²	83	32%	0.317	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.8	-170.8	67.4	173	179	173.8	0	115.4	Y40 V44 E108 W111	Y40-K42 HydrophobicContact CE1-CB 4.13Å; K42-V44 VanDerWaalsContact C-N 3.29Å; K42-E108 VanDerWaalsContact CD-O 3.24Å; K42-E108 WeakPolarHBondContact CD-O 3.49Å; K42-E108 PolarHBondContact NZ-O 2.9Å; K42-W111 WeakPolarHBondContact O-CA 3.35Å; K42-W111 VanDerWaalsContact O-CB 3.3Å; K42-W111 WeakPolarHBondContact O-CB 3.42Å; K42-W111 VanDerWaalsContact O-CD1 3.23Å
43	W	91.4	Very high	92.9	Very high	195 Å²	195	86 Å²	86	74%	0.739	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.5	-179.8	-52.8	109.9	0	0	0	113.1	Q41	Q41-W43 VanDerWaalsContact C-N 3.31Å; Q41-W43 PolarHBondContact O-N 2.76Å
44	V	91.8	Very high	93	Very high	76 Å²	76	83.9 Å²	83.9	46%	0.461	43%	0.427	S	S	.	.	S	Bend	trans	-101.5	126.5	-176.8	-177.3	0	0	0	0	109.4	Q41 K42	Q41-V44 HydrophobicContact CB-CG2 4.4Å; Q41-V44 HydrophobicContact CG-CG2 4.12Å; Q41-V44 PolarHBondContact O-N 2.58Å; K42-V44 VanDerWaalsContact C-N 3.29Å
45	R	93.5	Very high	93.1	Very high	37 Å²	37	81.4 Å²	81.4	14%	0.14	42%	0.421	C	S	.	.			trans	-53.4	131.8	174.6	-71	-164.6	-62.7	127.2	6.3	110.8	V47 S50 D52 I54 W111 Y176 M180	R45-V47 HydrophobicContact CB-CG2 4.42Å; R45-V47 PolarHBondContact O-N 3.43Å; R45-S50 PolarHBondContact NH2-O 2.81Å; R45-D52 PolarHBondContact NH1-O 3.02Å; R45-I54 HydrophobicContact CB-CD1 3.83Å; R45-I54 HydrophobicContact CG-CD1 4.26Å; R45-W111 HydrophobicContact CG-CZ2 3.91Å; R45-Y176 VanDerWaalsContact CD-CE1 3.49Å; R45-Y176 HydrophobicContact CG-CE1 3.83Å; R45-M180 PolarHBondContact NH1-O 2.94Å
46	P	93.9	Very high	93.2	Very high	7 Å²	7	76.4 Å²	76.4	5%	0.045	40%	0.398	C	S	.	.			trans	-78.7	59.1	-176.8	31.8	-38.8	0	0	0	114	I54 D87 H88 W111	P46-I54 HydrophobicContact CG-CD1 3.92Å; P46-D87 HydrophobicContact CB-CB 3.94Å; P46-D87 WeakPolarHBondContact CB-OD1 3.16Å; P46-D87 WeakPolarHBondContact CB-OD2 3.12Å; P46-D87 HydrophobicContact CG-CB 4.19Å; P46-H88 PolarHBondContact O-ND1 3.25Å; P46-W111 VanDerWaalsContact CD-CE3 3.5Å; P46-W111 HydrophobicContact CG-CD2 4.18Å; P46-W111 HydrophobicContact CG-CE3 3.8Å; P46-W111 HydrophobicContact CG-CZ3 4.32Å
47	V	93.5	Very high	93.4	Very high	30 Å²	30	80.6 Å²	80.6	18%	0.182	41%	0.413	C	S	.	.			trans	-105.6	152.3	177.5	-67.5	0	0	0	0	112.2	R45 H49 D52 I54 H88	R45-V47 HydrophobicContact CB-CG2 4.42Å; R45-V47 PolarHBondContact O-N 3.43Å; V47-H49 WeakPolarHBondContact CB-O 3.45Å; V47-H49 VanDerWaalsContact CG2-O 3.31Å; V47-H49 WeakPolarHBondContact CG2-O 3.38Å; V47-D52 HydrophobicContact CB-CB 4.09Å; V47-D52 HydrophobicContact CG1-CB 4.13Å; V47-I54 HydrophobicContact CG1-CD1 3.9Å; V47-I54 HydrophobicContact CG1-CG1 3.45Å; V47-I54 VanDerWaalsContact CG1-CG1 3.45Å; V47-H88 VanDerWaalsContact C-CE1 3.5Å; V47-H88 PolarHBondContact O-CE1 3.48Å
48	L	90.8	Very high	93.5	Very high	129 Å²	129	78.1 Å²	78.1	68%	0.675	40%	0.402	S	S	*	.	S	Bend	trans	-76.6	-45.8	174.7	-72.7	170.6	0	0	0	110.7
49	H	92.4	Very high	93.6	Very high	123 Å²	123	71.1 Å²	71.1	57%	0.569	37%	0.372	S	S	*	.	S	Bend	trans	-117.3	149.9	175.5	-46.1	90	0	0	0	110.5	V47 N51 D52	V47-H49 WeakPolarHBondContact CB-O 3.45Å; V47-H49 VanDerWaalsContact CG2-O 3.31Å; V47-H49 WeakPolarHBondContact CG2-O 3.38Å; H49-N51 PolarHBondContact O-N 3.46Å; H49-N51 VanDerWaalsContact O-N 3.15Å; H49-D52 IonicContact CG-OD2 3.6Å; H49-D52 PolarHBondContact N-OD2 3.43Å; H49-D52 IonicContact ND1-OD1 2.89Å; H49-D52 IonicContact ND1-OD2 3.74Å; H49-D52 PolarHBondContact ND1-OD2 3.47Å; H49-D52 WeakPolarHBondContact O-CB 3.29Å; H49-D52 PolarHBondContact O-N 3.38Å
50	S	87.4	Confident	93.9	Very high	102 Å²	102	67.7 Å²	67.7	71%	0.713	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.1	-179.7	-55.8	0	0	0	0	113.9	R45 D52	R45-S50 PolarHBondContact NH2-O 2.81Å; S50-D52 VanDerWaalsContact C-N 3.32Å
51	N	90.9	Very high	93.9	Very high	155 Å²	155	68.6 Å²	68.6	83%	0.829	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-7	179.1	-70.4	-2.7	0	0	0	113.5	H49	H49-N51 PolarHBondContact O-N 3.46Å; H49-N51 VanDerWaalsContact O-N 3.15Å
52	D	94.3	Very high	94	Very high	62 Å²	62	64 Å²	64	33%	0.332	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-75.9	139.6	-179.4	-62.6	-24.4	0	0	0	110.7	R45 V47 H49 S50	R45-D52 PolarHBondContact NH1-O 3.02Å; V47-D52 HydrophobicContact CB-CB 4.09Å; V47-D52 HydrophobicContact CG1-CB 4.13Å; H49-D52 IonicContact CG-OD2 3.6Å; H49-D52 PolarHBondContact N-OD2 3.43Å; H49-D52 IonicContact ND1-OD1 2.89Å; H49-D52 IonicContact ND1-OD2 3.74Å; H49-D52 PolarHBondContact ND1-OD2 3.47Å; H49-D52 WeakPolarHBondContact O-CB 3.29Å; H49-D52 PolarHBondContact O-N 3.38Å; S50-D52 VanDerWaalsContact C-N 3.32Å
53	T	94.4	Very high	94.1	Very high	61 Å²	61	62.3 Å²	62.3	37%	0.374	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-93.4	130.6	176.2	-47.1	0	0	0	0	110.4	T179 D182	T53-T179 WeakPolarHBondContact CA-O 3.27Å; T53-T179 VanDerWaalsContact CB-O 3.29Å; T53-T179 WeakPolarHBondContact CB-O 3.36Å; T53-T179 WeakPolarHBondContact CG2-O 3.4Å; T53-T179 PolarHBondContact OG1-O 3.29Å; T53-D182 HydrophobicContact CG2-CB 3.78Å
54	I	95.5	Very high	94.2	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.4	171.5	-61.5	178.9	0	0	0	108.5	R45 P46 V47 V56 W85 W111 M180 V181 D182	R45-I54 HydrophobicContact CB-CD1 3.83Å; R45-I54 HydrophobicContact CG-CD1 4.26Å; P46-I54 HydrophobicContact CG-CD1 3.92Å; V47-I54 HydrophobicContact CG1-CD1 3.9Å; V47-I54 HydrophobicContact CG1-CG1 3.45Å; V47-I54 VanDerWaalsContact CG1-CG1 3.45Å; I54-V56 HydrophobicContact CG2-CG2 3.99Å; I54-W85 HydrophobicContact CG2-CB 4.27Å; I54-W111 HydrophobicContact CD1-CH2 3.59Å; I54-W111 HydrophobicContact CD1-CZ2 3.93Å; I54-W111 HydrophobicContact CD1-CZ3 3.92Å; I54-W111 HydrophobicContact CG2-CH2 4.17Å; I54-W111 HydrophobicContact CG2-CZ3 4.24Å; I54-M180 PolarHBondContact N-O 3.06Å; I54-V181 WeakPolarHBondContact O-CA 3.34Å; I54-D182 PolarHBondContact O-N 3.5Å
55	K	96.1	Very high	94.4	Very high	120 Å²	120	52.2 Å²	52.2	52%	0.522	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.6	171.7	-67.6	177.4	177.4	-177.5	0	109.2	D182 I184	K55-D182 WeakPolarHBondContact CA-O 3.49Å; K55-I184 HydrophobicContact CB-CD1 3.87Å; K55-I184 HydrophobicContact CD-CD1 3.77Å; K55-I184 HydrophobicContact CG-CD1 3.88Å
56	V	97.4	Very high	94.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.2	175.3	-179.8	0	0	0	0	108.1	I54 F58 W85 P113 V181 D182 L183 I184	I54-V56 HydrophobicContact CG2-CG2 3.99Å; V56-F58 PolarHBondContact O-N 2.91Å; V56-W85 HydrophobicContact CG2-CB 4.31Å; V56-P113 HydrophobicContact CG1-CG 4.19Å; V56-P113 HydrophobicContact CG2-CB 4.08Å; V56-P113 HydrophobicContact CG2-CG 4.21Å; V56-V181 HydrophobicContact CG2-CG1 3.92Å; V56-D182 PolarHBondContact N-O 3.15Å; V56-L183 HydrophobicContact CB-CD2 3.97Å; V56-L183 HydrophobicContact CG1-CD2 4.07Å; V56-L183 WeakPolarHBondContact O-CA 3.22Å; V56-I184 PolarHBondContact O-N 3.07Å
57	Y	97.8	Very high	94.3	Very high	99 Å²	99	56 Å²	56	39%	0.388	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.7	172.8	-66	-86.7	0	0	0	109	Q83 E84 I184	Y57-Q83 CarbonylContact O-C 3.43Å; Y57-Q83 WeakPolarHBondContact O-CA 3.49Å; Y57-E84 PolarHBondContact N-O 3.44Å; Y57-E84 PolarHBondContact O-N 2.95Å; Y57-I184 CarbonylContact C-O 3.53Å; Y57-I184 WeakPolarHBondContact CA-O 3.29Å; Y57-I184 HydrophobicContact CD1-CB 3.88Å; Y57-I184 HydrophobicContact CD1-CG2 3.78Å; Y57-I184 HydrophobicContact CE1-CB 4.09Å; Y57-I184 HydrophobicContact CE1-CD1 4.05Å; Y57-I184 HydrophobicContact CE1-CG2 3.77Å
58	F	97.1	Very high	94.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.5	-173.3	-172.1	-109.8	0	0	0	111	V56 L81 K82 Q83 I115 F171 L183 I184 I186 I223 Y225	V56-F58 PolarHBondContact O-N 2.91Å; F58-L81 HydrophobicContact CE2-CB 4.43Å; F58-L81 HydrophobicContact CE2-CD2 4.28Å; F58-L81 HydrophobicContact CZ-CD2 3.98Å; F58-K82 CarbonylContact C-O 3.51Å; F58-K82 WeakPolarHBondContact CA-O 3.29Å; F58-Q83 HydrophobicContact CD2-CG 4.06Å; F58-Q83 HydrophobicContact CE2-CG 4.27Å; F58-I115 HydrophobicContact CD2-CG2 4.4Å; F58-I115 HydrophobicContact CE2-CG2 3.91Å; F58-I115 HydrophobicContact CZ-CG2 4.27Å; F58-F171 HydrophobicContact CE1-CB 3.69Å; F58-F171 HydrophobicContact CE1-CD1 4.47Å; F58-F171 AromaticContact CE1-CD2 3.8Å; F58-F171 HydrophobicContact CE1-CD2 3.8Å; F58-F171 AromaticContact CE1-CG 3.74Å; F58-F171 HydrophobicContact CE1-CG 3.74Å; F58-F171 HydrophobicContact CZ-CB 3.78Å; F58-F171 AromaticContact CZ-CD1 3.87Å; F58-F171 HydrophobicContact CZ-CD1 3.87Å; F58-F171 AromaticContact CZ-CD2 3.95Å; F58-F171 HydrophobicContact CZ-CD2 3.95Å; F58-F171 HydrophobicContact CZ-CE1 4.43Å; F58-F171 HydrophobicContact CZ-CE2 4.5Å; F58-F171 AromaticContact CZ-CG 3.59Å; F58-F171 HydrophobicContact CZ-CG 3.59Å; F58-L183 HydrophobicContact CB-CD2 4.41Å; F58-I184 PolarHBondContact N-O 3.46Å; F58-I186 PolarHBondContact O-N 2.88Å; F58-I223 HydrophobicContact CB-CD1 3.69Å; F58-I223 HydrophobicContact CD1-CB 4.21Å; F58-I223 HydrophobicContact CD1-CD1 3.73Å; F58-I223 HydrophobicContact CD1-CG2 4.17Å; F58-I223 HydrophobicContact CE1-CG2 4.49Å; F58-I223 HydrophobicContact CG-CD1 4.13Å; F58-Y225 AromaticContact CD1-CE2 3.99Å; F58-Y225 HydrophobicContact CD1-CE2 3.99Å; F58-Y225 HydrophobicContact CE1-CD2 4.47Å; F58-Y225 AromaticContact CE1-CE2 3.69Å; F58-Y225 HydrophobicContact CE1-CE2 3.69Å
59	G	96.2	Very high	94.3	Very high	10 Å²	10	50.3 Å²	50.3	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.6	176.6	0	0	0	0	0	110.8	K82 Y225	G59-K82 PolarHBondContact N-O 3.4Å; G59-K82 PolarHBondContact O-N 3.33Å; G59-Y225 WeakPolarHBondContact CA-OH 3.44Å
60	L	95.8	Very high	94	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.3	175.5	-171.7	70.4	0	0	0	109.3	V79 L81 F171 V190 D191 Y225 F227	L60-V79 HydrophobicContact CD1-CB 3.69Å; L60-V79 HydrophobicContact CD1-CG1 4.04Å; L60-V79 HydrophobicContact CD1-CG2 3.82Å; L60-L81 HydrophobicContact CD1-CD2 3.56Å; L60-F171 HydrophobicContact CD1-CE2 4.33Å; L60-F171 HydrophobicContact CD1-CZ 4.33Å; L60-F171 HydrophobicContact CD2-CE2 4.38Å; L60-V190 HydrophobicContact CD2-CG2 4.45Å; L60-D191 PolarHBondContact O-N 3.44Å; L60-Y225 HydrophobicContact CB-CD1 4.26Å; L60-Y225 HydrophobicContact CB-CD2 3.89Å; L60-Y225 HydrophobicContact CB-CE1 3.87Å; L60-Y225 HydrophobicContact CB-CE2 3.47Å; L60-Y225 VanDerWaalsContact CB-CE2 3.47Å; L60-Y225 HydrophobicContact CB-CG 4.25Å; L60-Y225 VanDerWaalsContact CB-CZ 3.44Å; L60-Y225 HydrophobicContact CD2-CD1 4.16Å; L60-Y225 HydrophobicContact CD2-CD2 3.63Å; L60-Y225 HydrophobicContact CD2-CE2 4.13Å; L60-Y225 HydrophobicContact CD2-CG 3.63Å; L60-Y225 HydrophobicContact CG-CD2 4.36Å; L60-Y225 HydrophobicContact CG-CE2 4.39Å; L60-Y225 PolarHBondContact N-OH 3.42Å; L60-Y225 VanDerWaalsContact N-OH 3.13Å; L60-F227 HydrophobicContact CD2-CE2 4.16Å; L60-F227 HydrophobicContact CD2-CZ 3.71Å
61	K	95.5	Very high	93.9	Very high	49 Å²	49	45.3 Å²	45.3	21%	0.213	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129	168.8	175.6	176.3	-175.2	174.7	0	108.6	V79 W80 D191 D194	K61-V79 CarbonylContact O-C 3.54Å; K61-V79 VanDerWaalsContact O-CA 3.28Å; K61-V79 WeakPolarHBondContact O-CA 3.34Å; K61-V79 WeakPolarHBondContact O-CB 3.44Å; K61-W80 HydrophobicContact CB-CB 4.21Å; K61-W80 PolarHBondContact N-O 2.95Å; K61-W80 PolarHBondContact O-N 3.3Å; K61-D191 WeakPolarHBondContact CA-O 3.3Å; K61-D191 HydrophobicContact CB-CB 3.98Å; K61-D191 HydrophobicContact CD-CB 4.37Å; K61-D191 HydrophobicContact CG-CB 3.93Å; K61-D194 VanDerWaalsContact CE-OD2 3.26Å; K61-D194 WeakPolarHBondContact CE-OD2 3.4Å; K61-D194 VanDerWaalsContact NZ-CG 3.27Å; K61-D194 IonicContact NZ-OD1 2.99Å; K61-D194 IonicContact NZ-OD2 3.36Å; K61-D194 PolarHBondContact NZ-OD2 2.98Å
62	I	95.4	Very high	93.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.1	178.1	-172.1	166.3	0	0	0	109.8	T77 V79 V190 D191 R192 F195 I203 F227	I62-T77 HydrophobicContact CD1-CG2 4.34Å; I62-V79 HydrophobicContact CG1-CG1 4.42Å; I62-V190 HydrophobicContact CB-CG1 4.25Å; I62-V190 HydrophobicContact CG2-CG1 3.97Å; I62-D191 PolarHBondContact N-O 2.94Å; I62-R192 HydrophobicContact CG2-CG 3.99Å; I62-F195 HydrophobicContact CD1-CD2 4.43Å; I62-F195 HydrophobicContact CD1-CE2 4.24Å; I62-F195 HydrophobicContact CG1-CD2 4.17Å; I62-F195 HydrophobicContact CG1-CE2 4.41Å; I62-F195 HydrophobicContact CG2-CD2 4.02Å; I62-I203 HydrophobicContact CD1-CD1 3.79Å; I62-F227 HydrophobicContact CD1-CE1 4.03Å
63	S	94.1	Very high	93.6	Very high	37 Å²	37	43.1 Å²	43.1	26%	0.259	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-44.1	174	-164	0	0	0	0	110.9	N78 F195 F196	S63-N78 WeakPolarHBondContact CB-O 3.34Å; S63-N78 PolarHBondContact N-O 3.08Å; S63-F195 WeakPolarHBondContact O-CA 3.39Å; S63-F196 PolarHBondContact O-N 2.98Å
64	Q	94.6	Very high	93.5	Very high	59 Å²	59	41.8 Å²	41.8	28%	0.276	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	139	-177.8	-171.1	-178.1	3	0	0	110.3	V66 N78 F196	Q64-V66 HydrophobicContact CG-CG2 4.41Å; Q64-N78 HydrophobicContact CB-CB 4.24Å; Q64-N78 PolarHBondContact N-O 3.46Å; Q64-N78 PolarHBondContact O-N 3.35Å; Q64-F196 HydrophobicContact CG-CD1 4.44Å
65	L	95.1	Very high	93.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	105.9	159.5	179.2	62.3	0	0	0	106.6	V68 M75 T77 F195 N198 W201 L229	L65-V68 HydrophobicContact CD1-CG2 3.91Å; L65-V68 HydrophobicContact CD2-CG2 4.08Å; L65-V68 HydrophobicContact CG-CG2 4.2Å; L65-M75 HydrophobicContact CD1-CG 3.88Å; L65-M75 HydrophobicContact CD1-SD 4.24Å; L65-T77 HydrophobicContact CD1-CG2 3.7Å; L65-F195 HydrophobicContact CB-CE2 4.24Å; L65-N198 PolarHBondContact O-ND2 3.23Å; L65-W201 HydrophobicContact CD2-CB 3.59Å; L65-W201 HydrophobicContact CD2-CG 4.2Å; L65-L229 HydrophobicContact CD2-CD1 4.1Å; L65-L229 HydrophobicContact CD2-CD2 3.99Å
66	V	93.5	Very high	93.3	Very high	55 Å²	55	36.5 Å²	36.5	33%	0.333	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-53.2	-171.5	178.1	0	0	0	0	109.6	Q64 T76 N78	Q64-V66 HydrophobicContact CG-CG2 4.41Å; V66-T76 HydrophobicContact CB-CG2 3.84Å; V66-T76 HydrophobicContact CG1-CG2 4.18Å; V66-T76 HydrophobicContact CG2-CG2 4.24Å; V66-T76 PolarHBondContact N-O 3.27Å; V66-N78 HydrophobicContact CG2-CB 4.41Å; V66-N78 VanDerWaalsContact CG2-ND2 3.33Å; V66-N78 WeakPolarHBondContact CG2-ND2 3.29Å
67	D	92.3	Very high	93.2	Very high	68 Å²	68	36.5 Å²	36.5	36%	0.364	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	151	-174.3	-172	26.8	0	0	0	110.9	T76	D67-T76 PolarHBondContact N-O 3.26Å; D67-T76 PolarHBondContact O-N 3.38Å
68	V	92.6	Very high	93	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	92.7	174.3	-177.2	0	0	0	0	106.9	L65 E70 L74 M75 M155 W201 L229	L65-V68 HydrophobicContact CD1-CG2 3.91Å; L65-V68 HydrophobicContact CD2-CG2 4.08Å; L65-V68 HydrophobicContact CG-CG2 4.2Å; V68-E70 PolarHBondContact O-N 3.01Å; V68-L74 CarbonylContact C-O 3.53Å; V68-M75 HydrophobicContact CG2-CG 4.39Å; V68-M155 HydrophobicContact CG1-CE 3.37Å; V68-M155 HydrophobicContact CG1-SD 4.17Å; V68-W201 HydrophobicContact CB-CZ2 3.89Å; V68-W201 HydrophobicContact CG1-CH2 4.35Å; V68-W201 HydrophobicContact CG1-CZ2 3.84Å; V68-W201 HydrophobicContact CG2-CD2 4.27Å; V68-W201 HydrophobicContact CG2-CG 4.29Å; V68-W201 HydrophobicContact CG2-CZ2 4.45Å; V68-L229 HydrophobicContact CG2-CD1 4.02Å
69	D	91.2	Very high	92.9	Very high	39 Å²	39	34.2 Å²	34.2	21%	0.209	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	100.7	-177.1	-175.1	-26.2	0	0	0	109.4	K71 N72 Q73 L74	D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 WeakPolarHBondContact OD1-CB 3.32Å; D69-K71 PolarHBondContact OD1-N 3.44Å; D69-K71 VanDerWaalsContact OD1-N 3.12Å; D69-N72 PolarHBondContact OD1-N 2.83Å; D69-N72 PolarHBondContact OD2-ND2 3.3Å; D69-Q73 CarbonylContact O-C 3.59Å; D69-Q73 WeakPolarHBondContact O-CA 3.41Å; D69-Q73 PolarHBondContact O-N 3.47Å; D69-L74 HydrophobicContact CB-CB 4.31Å; D69-L74 PolarHBondContact N-O 3.29Å; D69-L74 PolarHBondContact O-N 2.91Å
70	E	87.1	Confident	92.8	Very high	19 Å²	19	38.4 Å²	38.4	9%	0.089	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-34.1	-177.9	-52.4	86.3	165	0	0	111.6	V68 Q73 R231 P287	V68-E70 PolarHBondContact O-N 3.01Å; E70-Q73 PolarHBondContact O-N 2.88Å; E70-R231 IonicContact OE1-CZ 3.17Å; E70-R231 IonicContact OE1-NH1 3.19Å; E70-R231 PolarHBondContact OE1-NH1 2.98Å; E70-R231 IonicContact OE1-NH2 3.92Å; E70-R231 PolarHBondContact OE1-NH2 2.97Å; E70-P287 HydrophobicContact CB-CG 4.43Å; E70-P287 VanDerWaalsContact O-CB 3.26Å; E70-P287 WeakPolarHBondContact O-CB 3.38Å; E70-P287 VanDerWaalsContact O-CG 3.24Å; E70-P287 WeakPolarHBondContact O-CG 3.35Å
71	K	84.8	Confident	92.7	Very high	102 Å²	102	38 Å²	38	44%	0.443	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-48	-178.1	-177.3	177.3	-170.2	159.2	0	111.5	D69 E284	D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 WeakPolarHBondContact OD1-CB 3.32Å; D69-K71 PolarHBondContact OD1-N 3.44Å; D69-K71 VanDerWaalsContact OD1-N 3.12Å; K71-E284 PolarHBondContact NZ-O 2.96Å
72	N	87.9	Confident	92.7	Very high	101 Å²	101	39.7 Å²	39.7	54%	0.54	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.5	178.9	-63.8	-51	0	0	0	113	D69 L74	D69-N72 PolarHBondContact OD1-N 2.83Å; D69-N72 PolarHBondContact OD2-ND2 3.3Å; N72-L74 HydrophobicContact CB-CD1 3.98Å; N72-L74 HydrophobicContact CB-CG 3.99Å; N72-L74 WeakPolarHBondContact O-CG 3.35Å
73	Q	90.4	Very high	92.8	Very high	70 Å²	70	39.8 Å²	39.8	33%	0.327	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	44.7	-178.2	-60.6	-174.1	4.5	0	0	112.9	D69 E70 C153	D69-Q73 CarbonylContact O-C 3.59Å; D69-Q73 WeakPolarHBondContact O-CA 3.41Å; D69-Q73 PolarHBondContact O-N 3.47Å; E70-Q73 PolarHBondContact O-N 2.88Å; Q73-C153 CarbonylContact C-O 3.56Å; Q73-C153 WeakPolarHBondContact CB-O 3.15Å; Q73-C153 PolarHBondContact O-N 2.99Å
74	L	92.5	Very high	92.9	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.168	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.1	-175.9	-57.6	-179.4	0	0	0	111.5	V68 D69 N72 A121	V68-L74 CarbonylContact C-O 3.53Å; D69-L74 HydrophobicContact CB-CB 4.31Å; D69-L74 PolarHBondContact N-O 3.29Å; D69-L74 PolarHBondContact O-N 2.91Å; N72-L74 HydrophobicContact CB-CD1 3.98Å; N72-L74 HydrophobicContact CB-CG 3.99Å; N72-L74 WeakPolarHBondContact O-CG 3.35Å; L74-A121 HydrophobicContact CD1-CB 4.36Å; L74-A121 HydrophobicContact CD2-CB 3.17Å; L74-A121 HydrophobicContact CG-CB 4.38Å
75	M	94.4	Very high	93.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	168.8	-179.7	-172.8	71.5	0	0	108.8	L65 V68 T77 K150 S151 C153 C167 M169 F227 L229	L65-M75 HydrophobicContact CD1-CG 3.88Å; L65-M75 HydrophobicContact CD1-SD 4.24Å; V68-M75 HydrophobicContact CG2-CG 4.39Å; M75-T77 HydrophobicContact CE-CG2 3.86Å; M75-T77 HydrophobicContact CG-CG2 4.03Å; M75-T77 HydrophobicContact SD-CG2 4.09Å; M75-K150 CarbonylContact O-C 3.52Å; M75-K150 WeakPolarHBondContact O-CA 3.49Å; M75-S151 VanDerWaalsContact CE-OG 3.28Å; M75-S151 WeakPolarHBondContact CE-OG 3.48Å; M75-S151 PolarHBondContact N-O 2.97Å; M75-S151 PolarHBondContact O-N 3.48Å; M75-S151 PolarHBondContact O-OG 3.43Å; M75-C153 HydrophobicContact CB-CB 4.48Å; M75-C167 HydrophobicContact CE-CB 4.08Å; M75-C167 HydrophobicContact SD-CB 3.62Å; M75-M169 HydrophobicContact CE-CG 3.74Å; M75-M169 HydrophobicContact CE-SD 3.83Å; M75-F227 HydrophobicContact CE-CD2 4.19Å; M75-L229 HydrophobicContact SD-CD1 4.09Å
76	T	94.1	Very high	93.1	Very high	17 Å²	17	40.5 Å²	40.5	10%	0.104	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.2	178.5	-53.9	0	0	0	0	110.3	V66 D67 Y149 K150	V66-T76 HydrophobicContact CB-CG2 3.84Å; V66-T76 HydrophobicContact CG1-CG2 4.18Å; V66-T76 HydrophobicContact CG2-CG2 4.24Å; V66-T76 PolarHBondContact N-O 3.27Å; D67-T76 PolarHBondContact N-O 3.26Å; D67-T76 PolarHBondContact O-N 3.38Å; T76-Y149 CarbonylContact C-O 3.56Å; T76-Y149 VanDerWaalsContact CA-O 3.31Å; T76-Y149 WeakPolarHBondContact CA-O 3.4Å; T76-K150 HydrophobicContact CG2-CG 4.04Å
77	T	94.4	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.4	-178.2	53.2	0	0	0	0	111.8	I62 L65 M75 S148 Y149	I62-T77 HydrophobicContact CD1-CG2 4.34Å; L65-T77 HydrophobicContact CD1-CG2 3.7Å; M75-T77 HydrophobicContact CE-CG2 3.86Å; M75-T77 HydrophobicContact CG-CG2 4.03Å; M75-T77 HydrophobicContact SD-CG2 4.09Å; T77-S148 WeakPolarHBondContact O-CA 3.48Å; T77-Y149 PolarHBondContact N-O 2.88Å; T77-Y149 PolarHBondContact O-N 3.48Å
78	N	94.1	Very high	93.3	Very high	48 Å²	48	37 Å²	37	26%	0.257	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117	168.3	-69	-20.1	0	0	0	108.5	S63 Q64 V66 S148	S63-N78 WeakPolarHBondContact CB-O 3.34Å; S63-N78 PolarHBondContact N-O 3.08Å; Q64-N78 HydrophobicContact CB-CB 4.24Å; Q64-N78 PolarHBondContact N-O 3.46Å; Q64-N78 PolarHBondContact O-N 3.35Å; V66-N78 HydrophobicContact CG2-CB 4.41Å; V66-N78 VanDerWaalsContact CG2-ND2 3.33Å; V66-N78 WeakPolarHBondContact CG2-ND2 3.29Å; N78-S148 VanDerWaalsContact OD1-CB 3.3Å; N78-S148 WeakPolarHBondContact OD1-CB 3.33Å; N78-S148 PolarHBondContact OD1-OG 2.91Å
79	V	94.8	Very high	93.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.8	-172.9	-58.2	0	0	0	0	111.4	L60 K61 I62 L81 P146 A147 Y149	L60-V79 HydrophobicContact CD1-CB 3.69Å; L60-V79 HydrophobicContact CD1-CG1 4.04Å; L60-V79 HydrophobicContact CD1-CG2 3.82Å; K61-V79 CarbonylContact O-C 3.54Å; K61-V79 VanDerWaalsContact O-CA 3.28Å; K61-V79 WeakPolarHBondContact O-CA 3.34Å; K61-V79 WeakPolarHBondContact O-CB 3.44Å; I62-V79 HydrophobicContact CG1-CG1 4.42Å; V79-L81 HydrophobicContact CG2-CD2 4.05Å; V79-P146 WeakPolarHBondContact O-CA 3.34Å; V79-A147 HydrophobicContact CG2-CB 4.41Å; V79-A147 PolarHBondContact N-O 3.42Å; V79-A147 PolarHBondContact O-N 2.95Å; V79-Y149 HydrophobicContact CG2-CD2 3.61Å; V79-Y149 HydrophobicContact CG2-CE2 3.89Å
80	W	94.9	Very high	93.6	Very high	98 Å²	98	39.3 Å²	39.3	37%	0.371	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	169.2	-58	84.6	0	0	0	108.4	K61 T144 P146	K61-W80 HydrophobicContact CB-CB 4.21Å; K61-W80 PolarHBondContact N-O 2.95Å; K61-W80 PolarHBondContact O-N 3.3Å; W80-T144 HydrophobicContact CB-CG2 4.04Å; W80-P146 HydrophobicContact CD2-CB 4.2Å; W80-P146 HydrophobicContact CE3-CB 3.83Å; W80-P146 HydrophobicContact CE3-CG 4.35Å; W80-P146 HydrophobicContact CH2-CB 3.99Å; W80-P146 HydrophobicContact CH2-CG 4.25Å; W80-P146 HydrophobicContact CZ2-CB 4.34Å; W80-P146 HydrophobicContact CZ3-CB 3.73Å; W80-P146 HydrophobicContact CZ3-CG 3.88Å
81	L	94	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	98.5	-178.1	-59.3	177.8	0	0	0	109.8	F58 L60 V79 Q83 S128 T144 P145 A147 Y149 F171	F58-L81 HydrophobicContact CE2-CB 4.43Å; F58-L81 HydrophobicContact CE2-CD2 4.28Å; F58-L81 HydrophobicContact CZ-CD2 3.98Å; L60-L81 HydrophobicContact CD1-CD2 3.56Å; V79-L81 HydrophobicContact CG2-CD2 4.05Å; L81-Q83 PolarHBondContact O-N 2.91Å; L81-S128 WeakPolarHBondContact CD1-OG 3.4Å; L81-T144 WeakPolarHBondContact O-CA 3.35Å; L81-P145 HydrophobicContact CB-CG 4.29Å; L81-P145 PolarHBondContact N-O 3.44Å; L81-P145 VanDerWaalsContact O-CD 3.3Å; L81-P145 WeakPolarHBondContact O-CD 3.33Å; L81-A147 HydrophobicContact CD1-CB 4.36Å; L81-Y149 HydrophobicContact CD1-CE2 3.94Å; L81-Y149 VanDerWaalsContact CD1-OH 3.3Å; L81-Y149 WeakPolarHBondContact CD1-OH 3.3Å; L81-Y149 HydrophobicContact CD2-CE2 4.14Å; L81-Y149 HydrophobicContact CG-CE2 4.34Å; L81-F171 HydrophobicContact CD2-CE1 4.01Å; L81-F171 HydrophobicContact CD2-CZ 4.08Å
82	K	95.3	Very high	94.5	Very high	84 Å²	84	41.2 Å²	41.2	37%	0.365	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116	175.1	-172.2	175.5	177.7	-174.3	0	109.6	F58 G59 T144 I186	F58-K82 CarbonylContact C-O 3.51Å; F58-K82 WeakPolarHBondContact CA-O 3.29Å; G59-K82 PolarHBondContact N-O 3.4Å; G59-K82 PolarHBondContact O-N 3.33Å; K82-T144 HydrophobicContact CB-CG2 4.34Å; K82-I186 HydrophobicContact CB-CD1 4.49Å; K82-I186 HydrophobicContact CD-CD1 3.9Å; K82-I186 HydrophobicContact CG-CD1 4.02Å
83	Q	96.4	Very high	94.9	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	176.9	-55.5	-175.8	45.1	0	0	108.8	Y57 F58 L81 W85 W143	Y57-Q83 CarbonylContact O-C 3.43Å; Y57-Q83 WeakPolarHBondContact O-CA 3.49Å; F58-Q83 HydrophobicContact CD2-CG 4.06Å; F58-Q83 HydrophobicContact CE2-CG 4.27Å; L81-Q83 PolarHBondContact O-N 2.91Å; Q83-W85 HydrophobicContact CB-CE3 4.41Å; Q83-W85 HydrophobicContact CB-CZ3 4.09Å; Q83-W143 PolarHBondContact N-O 3.47Å; Q83-W143 PolarHBondContact O-N 2.82Å
84	E	97.6	Very high	95.1	Very high	47 Å²	47	37.4 Å²	37.4	22%	0.22	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.2	179.8	173.9	171.2	-178	0	0	110.2	Y57 T140 V141 V142	Y57-E84 PolarHBondContact N-O 3.44Å; Y57-E84 PolarHBondContact O-N 2.95Å; E84-T140 HydrophobicContact CG-CG2 3.76Å; E84-T140 VanDerWaalsContact OE1-CG2 3.29Å; E84-T140 WeakPolarHBondContact OE1-CG2 3.48Å; E84-V141 VanDerWaalsContact CA-O 3.29Å; E84-V141 WeakPolarHBondContact CA-O 3.25Å; E84-V142 HydrophobicContact CB-CG2 4.44Å; E84-V142 HydrophobicContact CG-CG2 4.1Å
85	W	97.1	Very high	95.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	172.9	177	69	98.5	0	0	0	109.9	I54 V56 Q83 W111 L112 P113 T140 V141 W143	I54-W85 HydrophobicContact CG2-CB 4.27Å; V56-W85 HydrophobicContact CG2-CB 4.31Å; Q83-W85 HydrophobicContact CB-CE3 4.41Å; Q83-W85 HydrophobicContact CB-CZ3 4.09Å; W85-W111 AromaticContact CD1-CZ3 3.96Å; W85-W111 HydrophobicContact CG-CZ3 4.36Å; W85-W111 VanDerWaalsContact CZ2-O 3.32Å; W85-W111 WeakPolarHBondContact CZ2-O 3.27Å; W85-W111 AromaticContact NE1-CE3 3.81Å; W85-L112 HydrophobicContact CH2-CD2 3.64Å; W85-L112 HydrophobicContact CZ2-CD2 3.93Å; W85-P113 HydrophobicContact CE3-CG 4.42Å; W85-T140 WeakPolarHBondContact O-CA 3.27Å; W85-V141 HydrophobicContact CD2-CB 4.02Å; W85-V141 HydrophobicContact CD2-CG1 4.39Å; W85-V141 HydrophobicContact CE3-CB 4.46Å; W85-V141 HydrophobicContact CH2-CB 4.28Å; W85-V141 HydrophobicContact CH2-CG1 3.58Å; W85-V141 HydrophobicContact CZ2-CB 3.83Å; W85-V141 HydrophobicContact CZ2-CG1 3.38Å; W85-V141 HydrophobicContact CZ2-CG2 4.42Å; W85-V141 HydrophobicContact CZ3-CG1 4.17Å; W85-V141 PolarHBondContact N-O 2.83Å; W85-V141 VanDerWaalsContact N-O 3.08Å; W85-V141 PolarHBondContact O-N 2.81Å; W85-W143 HydrophobicContact CH2-CB 3.97Å; W85-W143 HydrophobicContact CZ3-CB 3.85Å
86	T	96.8	Very high	95.1	Very high	62 Å²	62	47.8 Å²	47.8	38%	0.38	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	177.7	-56.3	0	0	0	0	109.7	G139	T86-G139 WeakPolarHBondContact CA-O 3.42Å
87	D	96.3	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.			trans	-112.2	116.5	172.4	-171	-26.5	0	0	0	108.9	Y40 P46 K89 L90 G139 V141	Y40-D87 WeakPolarHBondContact CE2-OD2 3.32Å; Y40-D87 PolarHBondContact OH-OD2 3.09Å; P46-D87 HydrophobicContact CB-CB 3.94Å; P46-D87 WeakPolarHBondContact CB-OD1 3.16Å; P46-D87 WeakPolarHBondContact CB-OD2 3.12Å; P46-D87 HydrophobicContact CG-CB 4.19Å; D87-K89 VanDerWaalsContact C-N 3.26Å; D87-K89 PolarHBondContact O-N 3.39Å; D87-K89 WeakPolarHBondContact OD1-CB 3.07Å; D87-K89 PolarHBondContact OD1-N 3.39Å; D87-L90 HydrophobicContact CB-CB 4.33Å; D87-L90 HydrophobicContact CB-CD1 3.76Å; D87-L90 HydrophobicContact CB-CG 4.04Å; D87-L90 PolarHBondContact O-N 2.93Å; D87-G139 PolarHBondContact N-O 3Å; D87-G139 WeakPolarHBondContact O-CA 3.29Å; D87-V141 HydrophobicContact CB-CG2 4.19Å
88	H	93.7	Very high	94.6	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.236	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-69.9	-23.2	-178.2	70.5	-86.4	0	0	0	113.1	P46 V47 L90	P46-H88 PolarHBondContact O-ND1 3.25Å; V47-H88 VanDerWaalsContact C-CE1 3.5Å; V47-H88 PolarHBondContact O-CE1 3.48Å; H88-L90 VanDerWaalsContact C-N 3.29Å
89	K	93.8	Very high	94.6	Very high	86 Å²	86	50.6 Å²	50.6	37%	0.374	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-77.5	-18	-179.4	-58.8	-177.9	-178.4	176.5	0	112.5	Y40 D87	Y40-K89 HydrophobicContact CD2-CB 4.14Å; Y40-K89 HydrophobicContact CD2-CD 4.25Å; Y40-K89 HydrophobicContact CE2-CB 4.06Å; Y40-K89 HydrophobicContact CE2-CD 4.22Å; D87-K89 VanDerWaalsContact C-N 3.26Å; D87-K89 PolarHBondContact O-N 3.39Å; D87-K89 WeakPolarHBondContact OD1-CB 3.07Å; D87-K89 PolarHBondContact OD1-N 3.39Å
90	L	95.5	Very high	94.5	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-100.4	28.5	-177.6	-56.8	174.1	0	0	0	112.6	F37 Y40 D87 H88 W92 L110 V135 V141	F37-L90 HydrophobicContact CZ-CD2 4.24Å; Y40-L90 HydrophobicContact CD2-CD2 4.02Å; Y40-L90 HydrophobicContact CE2-CD1 4.49Å; Y40-L90 HydrophobicContact CE2-CD2 3.81Å; Y40-L90 HydrophobicContact CE2-CG 4.07Å; D87-L90 HydrophobicContact CB-CB 4.33Å; D87-L90 HydrophobicContact CB-CD1 3.76Å; D87-L90 HydrophobicContact CB-CG 4.04Å; D87-L90 PolarHBondContact O-N 2.93Å; H88-L90 VanDerWaalsContact C-N 3.29Å; L90-W92 VanDerWaalsContact O-CE3 3.23Å; L90-W92 VanDerWaalsContact O-CZ3 3.3Å; L90-W92 WeakPolarHBondContact O-CZ3 3.34Å; L90-L110 HydrophobicContact CD1-CD2 3.34Å; L90-L110 HydrophobicContact CD2-CD2 3.99Å; L90-L110 HydrophobicContact CG-CD2 4.27Å; L90-V135 HydrophobicContact CB-CG1 3.91Å; L90-V135 HydrophobicContact CD1-CG1 4.21Å; L90-V135 HydrophobicContact CD1-CG2 4.46Å; L90-V141 HydrophobicContact CD1-CG2 3.93Å
91	R	95.6	Very high	94.5	Very high	138 Å²	138	52.5 Å²	52.5	52%	0.521	27%	0.274	S	S	.	.			trans	-94.4	139.5	177.5	-68.8	-177.4	173	170.2	4	110.2	S137 N138	R91-S137 WeakPolarHBondContact CA-O 3.45Å; R91-N138 WeakPolarHBondContact CG-O 3.4Å; R91-N138 PolarHBondContact NE-O 3.1Å
92	W	95.8	Very high	94.6	Very high	22 Å²	22	55.7 Å²	55.7	8%	0.083	30%	0.296	C	S	.	.			trans	-146.1	160.3	172	70.4	96.9	0	0	0	110.3	L32 L36 L90 Y97 I100 I103 V135 K136 S137	L32-W92 HydrophobicContact CD1-CB 3.73Å; L32-W92 HydrophobicContact CD1-CD2 3.97Å; L32-W92 HydrophobicContact CD1-CG 3.57Å; L32-W92 HydrophobicContact CD2-CD2 4.03Å; L32-W92 HydrophobicContact CD2-CG 4.19Å; L32-W92 HydrophobicContact CD2-CZ2 4.17Å; L36-W92 HydrophobicContact CD1-CD2 4.49Å; L36-W92 HydrophobicContact CD1-CE3 3.82Å; L36-W92 HydrophobicContact CD1-CZ3 4.12Å; L36-W92 HydrophobicContact CD2-CB 4.47Å; L36-W92 HydrophobicContact CD2-CE3 4.35Å; L90-W92 VanDerWaalsContact O-CE3 3.23Å; L90-W92 VanDerWaalsContact O-CZ3 3.3Å; L90-W92 WeakPolarHBondContact O-CZ3 3.34Å; W92-Y97 HydrophobicContact CB-CD2 4.38Å; W92-Y97 HydrophobicContact CB-CE2 4.22Å; W92-Y97 AromaticContact CD1-CD2 3.93Å; W92-Y97 HydrophobicContact CG-CD2 4.48Å; W92-I100 HydrophobicContact CZ2-CG2 4.35Å; W92-I100 PolarHBondContact NE1-O 3.21Å; W92-I103 HydrophobicContact CH2-CD1 4.24Å; W92-I103 HydrophobicContact CH2-CG1 3.89Å; W92-I103 HydrophobicContact CH2-CG2 4.47Å; W92-I103 HydrophobicContact CZ2-CG2 4.34Å; W92-I103 HydrophobicContact CZ3-CD1 4.29Å; W92-I103 HydrophobicContact CZ3-CG1 4.36Å; W92-V135 HydrophobicContact CH2-CG1 4.37Å; W92-V135 HydrophobicContact CZ3-CG1 3.91Å; W92-K136 WeakPolarHBondContact CZ3-O 3.4Å; W92-S137 VanDerWaalsContact CH2-CA 3.49Å; W92-S137 VanDerWaalsContact CH2-N 3.26Å; W92-S137 VanDerWaalsContact CZ2-CA 3.48Å; W92-S137 PolarHBondContact N-O 2.97Å
93	N	96.2	Very high	94.6	Very high	73 Å²	73	51.8 Å²	51.8	39%	0.39	28%	0.279	S	S	.	.			trans	-87.7	120.5	171.5	-174	11.4	0	0	0	109.4	D95 D96	N93-D95 PolarHBondContact O-N 2.96Å; N93-D95 PolarHBondContact OD1-N 3.09Å; N93-D96 WeakPolarHBondContact CB-OD2 3.48Å; N93-D96 PolarHBondContact O-N 3.32Å
94	P	94.9	Very high	94.6	Very high	18 Å²	18	58.5 Å²	58.5	12%	0.117	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.2	179	-27.2	36	0	0	0	113.9	D96 Y97 G98 G99 H101	P94-D96 VanDerWaalsContact C-N 3.25Å; P94-D96 PolarHBondContact O-N 3.46Å; P94-Y97 CarbonylContact O-C 3.58Å; P94-Y97 PolarHBondContact O-N 3.31Å; P94-G98 PolarHBondContact O-N 2.75Å; P94-G99 WeakPolarHBondContact O-CA 3.38Å; P94-G99 PolarHBondContact O-N 3.42Å; P94-H101 WeakPolarHBondContact CG-ND1 3.37Å
95	D	93.1	Very high	94.4	Very high	133 Å²	133	56.4 Å²	56.4	71%	0.711	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.8	-30.9	-176.6	-62	-30.1	0	0	0	112.5	N93 Y97	N93-D95 PolarHBondContact O-N 2.96Å; N93-D95 PolarHBondContact OD1-N 3.09Å; D95-Y97 VanDerWaalsContact C-N 3.3Å; D95-Y97 PolarHBondContact O-N 3.47Å
96	D	92.4	Very high	94.3	Very high	118 Å²	118	59.4 Å²	59.4	63%	0.631	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-76.8	-17.5	-179.1	-60.8	-22.5	0	0	0	112.7	N93 P94	N93-D96 WeakPolarHBondContact CB-OD2 3.48Å; N93-D96 PolarHBondContact O-N 3.32Å; P94-D96 VanDerWaalsContact C-N 3.25Å; P94-D96 PolarHBondContact O-N 3.46Å
97	Y	91.8	Very high	94.2	Very high	39 Å²	39	56.5 Å²	56.5	15%	0.153	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-126	33.3	-173.2	-62.1	-83.4	0	0	0	112.4	L32 H35 W92 P94 D95 G99 I100	L32-Y97 HydrophobicContact CB-CD1 3.61Å; L32-Y97 HydrophobicContact CB-CE1 3.93Å; L32-Y97 HydrophobicContact CB-CG 4.03Å; L32-Y97 HydrophobicContact CD1-CD1 4.1Å; L32-Y97 HydrophobicContact CD1-CD2 3.79Å; L32-Y97 HydrophobicContact CD1-CE1 4.07Å; L32-Y97 HydrophobicContact CD1-CE2 3.75Å; L32-Y97 HydrophobicContact CD1-CG 3.95Å; L32-Y97 HydrophobicContact CG-CD1 4.38Å; L32-Y97 HydrophobicContact CG-CG 4.38Å; H35-Y97 PolarHBondContact ND1-OH 2.94Å; H35-Y97 VanDerWaalsContact ND1-OH 3.13Å; W92-Y97 HydrophobicContact CB-CD2 4.38Å; W92-Y97 HydrophobicContact CB-CE2 4.22Å; W92-Y97 AromaticContact CD1-CD2 3.93Å; W92-Y97 HydrophobicContact CG-CD2 4.48Å; P94-Y97 CarbonylContact O-C 3.58Å; P94-Y97 PolarHBondContact O-N 3.31Å; D95-Y97 VanDerWaalsContact C-N 3.3Å; D95-Y97 PolarHBondContact O-N 3.47Å; Y97-G99 PolarHBondContact O-N 3.14Å; Y97-I100 VanDerWaalsContact O-CD1 3.25Å; Y97-I100 WeakPolarHBondContact O-CD1 3.18Å; Y97-I100 VanDerWaalsContact O-CG1 3.25Å; Y97-I100 WeakPolarHBondContact O-CG1 3.34Å
98	G	87.4	Confident	94	Very high	50 Å²	50	62.5 Å²	62.5	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	32.3	173.5	0	0	0	0	0	114.7	P94	P94-G98 PolarHBondContact O-N 2.75Å
99	G	92.5	Very high	93.9	Very high	36 Å²	36	62.1 Å²	62.1	37%	0.371	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	18.4	175.2	0	0	0	0	0	114.7	P94 Y97 H101	P94-G99 WeakPolarHBondContact O-CA 3.38Å; P94-G99 PolarHBondContact O-N 3.42Å; Y97-G99 PolarHBondContact O-N 3.14Å; G99-H101 PolarHBondContact O-CD2 3.26Å; G99-H101 VanDerWaalsContact O-CD2 3.24Å; G99-H101 PolarHBondContact O-N 3.05Å; G99-H101 VanDerWaalsContact O-N 3.16Å
100	I	94.1	Very high	93.9	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.092	32%	0.316	C	S	.	.			trans	-71.2	110.9	179.7	-63.8	169.6	0	0	0	109.6	N28 E29 L32 W92 Y97 I103	N28-I100 HydrophobicContact CB-CD1 4.23Å; E29-I100 HydrophobicContact CB-CD1 3.82Å; E29-I100 HydrophobicContact CG-CD1 4.44Å; L32-I100 HydrophobicContact CD2-CB 4.45Å; L32-I100 HydrophobicContact CD2-CG2 4.05Å; W92-I100 HydrophobicContact CZ2-CG2 4.35Å; W92-I100 PolarHBondContact NE1-O 3.21Å; Y97-I100 VanDerWaalsContact O-CD1 3.25Å; Y97-I100 WeakPolarHBondContact O-CD1 3.18Å; Y97-I100 VanDerWaalsContact O-CG1 3.25Å; Y97-I100 WeakPolarHBondContact O-CG1 3.34Å; I100-I103 HydrophobicContact CG2-CG2 3.63Å
101	H	94.4	Very high	94	Very high	122 Å²	122	58.6 Å²	58.6	57%	0.565	32%	0.317	S	S	*	.			trans	-93.2	-20	178.6	-68.3	-66.5	0	0	0	114.3	P94 G99 K136 S137	P94-H101 WeakPolarHBondContact CG-ND1 3.37Å; G99-H101 PolarHBondContact O-CD2 3.26Å; G99-H101 VanDerWaalsContact O-CD2 3.24Å; G99-H101 PolarHBondContact O-N 3.05Å; G99-H101 VanDerWaalsContact O-N 3.16Å; H101-K136 WeakPolarHBondContact O-CA 3.46Å; H101-S137 PolarHBondContact O-N 3.25Å; H101-S137 PolarHBondContact O-OG 2.95Å
102	S	96.3	Very high	93.9	Very high	67 Å²	67	54 Å²	54	47%	0.469	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.6	179.7	62.9	0	0	0	0	112	V135	S102-V135 CarbonylContact C-O 3.57Å; S102-V135 WeakPolarHBondContact CA-O 3.32Å
103	I	95.4	Very high	93.8	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.4	177.1	59.1	175.7	0	0	0	110.8	E29 L32 L33 L36 W92 I100 V105 V135	E29-I103 HydrophobicContact CG-CG2 4.32Å; L32-I103 HydrophobicContact CD2-CG2 3.79Å; L33-I103 HydrophobicContact CD2-CD1 3.9Å; L36-I103 HydrophobicContact CD1-CD1 3.57Å; W92-I103 HydrophobicContact CH2-CD1 4.24Å; W92-I103 HydrophobicContact CH2-CG1 3.89Å; W92-I103 HydrophobicContact CH2-CG2 4.47Å; W92-I103 HydrophobicContact CZ2-CG2 4.34Å; W92-I103 HydrophobicContact CZ3-CD1 4.29Å; W92-I103 HydrophobicContact CZ3-CG1 4.36Å; I100-I103 HydrophobicContact CG2-CG2 3.63Å; I103-V105 HydrophobicContact CD1-CG2 3.85Å; I103-V105 HydrophobicContact CG1-CG2 4.02Å; I103-V135 HydrophobicContact CD1-CB 4.5Å; I103-V135 HydrophobicContact CG1-CB 3.92Å; I103-V135 PolarHBondContact N-O 3.45Å; I103-V135 PolarHBondContact O-N 3.44Å
104	K	95.4	Very high	93.6	Very high	143 Å²	143	51.7 Å²	51.7	62%	0.622	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.9	177.4	-67.9	176.8	-176	172.2	0	110.6	K132 V133 I134	K104-K132 HydrophobicContact CB-CD 4.34Å; K104-V133 WeakPolarHBondContact CA-O 3.32Å; K104-I134 HydrophobicContact CG-CG1 4.42Å
105	V	94.7	Very high	93.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143	-174.3	-176.5	0	0	0	0	109.8	L33 F37 I103 S107 S109 L110 K132 V133 V135	L33-V105 HydrophobicContact CD2-CG2 3.91Å; F37-V105 HydrophobicContact CE1-CG1 4.21Å; F37-V105 HydrophobicContact CE2-CG1 3.88Å; F37-V105 HydrophobicContact CE2-CG2 3.99Å; F37-V105 HydrophobicContact CZ-CB 4.34Å; F37-V105 HydrophobicContact CZ-CG1 3.45Å; F37-V105 VanDerWaalsContact CZ-CG1 3.45Å; F37-V105 HydrophobicContact CZ-CG2 4.09Å; I103-V105 HydrophobicContact CD1-CG2 3.85Å; I103-V105 HydrophobicContact CG1-CG2 4.02Å; V105-S107 PolarHBondContact O-N 2.96Å; V105-S109 VanDerWaalsContact CG1-OG 3.22Å; V105-S109 WeakPolarHBondContact CG1-OG 3.42Å; V105-L110 HydrophobicContact CB-CD1 4.05Å; V105-L110 HydrophobicContact CG1-CD1 3.93Å; V105-L110 HydrophobicContact CG1-CG 4.27Å; V105-K132 CarbonylContact O-C 3.58Å; V105-K132 WeakPolarHBondContact O-CA 3.27Å; V105-V133 HydrophobicContact CB-CG2 4.23Å; V105-V133 PolarHBondContact N-O 2.88Å; V105-V133 WeakPolarHBondContact O-CG2 3.24Å; V105-V133 PolarHBondContact O-N 3.3Å; V105-V135 HydrophobicContact CG2-CG2 4.25Å
106	P	94.8	Very high	93.5	Very high	65 Å²	65	46 Å²	46	42%	0.422	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	136.4	168.6	-24.5	35	0	0	0	112.2	E108 S109	P106-E108 PolarHBondContact O-N 3.26Å; P106-S109 PolarHBondContact O-N 3.12Å; P106-S109 PolarHBondContact O-OG 3.48Å
107	S	93.4	Very high	93.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.5	-31	179	56.4	0	0	0	0	112.9	V105 S109 L110 T131	V105-S107 PolarHBondContact O-N 2.96Å; S107-S109 VanDerWaalsContact C-N 3.26Å; S107-S109 PolarHBondContact O-N 3.46Å; S107-L110 PolarHBondContact O-N 3.35Å; S107-T131 VanDerWaalsContact CB-O 3.24Å; S107-T131 WeakPolarHBondContact CB-O 3.27Å; S107-T131 PolarHBondContact N-O 2.95Å; S107-T131 PolarHBondContact OG-O 3.35Å
108	E	92.4	Very high	93.5	Very high	125 Å²	125	41.7 Å²	41.7	58%	0.584	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-68.9	-18.4	-175.3	-61.3	172.6	-177.7	0	0	114.9	K42 P106 L110 M130	K42-E108 VanDerWaalsContact CD-O 3.24Å; K42-E108 WeakPolarHBondContact CD-O 3.49Å; K42-E108 PolarHBondContact NZ-O 2.9Å; P106-E108 PolarHBondContact O-N 3.26Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-M130 HydrophobicContact CG-CB 4.15Å; E108-M130 HydrophobicContact CG-CG 4.24Å
109	S	92.4	Very high	93.5	Very high	44 Å²	44	43.1 Å²	43.1	31%	0.308	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-90.2	-1.9	178.4	62.9	0	0	0	0	113.1	V105 P106 S107	V105-S109 VanDerWaalsContact CG1-OG 3.22Å; V105-S109 WeakPolarHBondContact CG1-OG 3.42Å; P106-S109 PolarHBondContact O-N 3.12Å; P106-S109 PolarHBondContact O-OG 3.48Å; S107-S109 VanDerWaalsContact C-N 3.26Å; S107-S109 PolarHBondContact O-N 3.46Å
110	L	94.4	Very high	93.2	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	22%	0.217	C	C	.	.	S	Bend	trans	-117.2	159.3	-174.1	-70.4	165.2	0	0	0	111.4	F37 Y40 L90 V105 S107 E108 V133 V135	F37-L110 HydrophobicContact CE1-CD2 3.61Å; F37-L110 HydrophobicContact CE1-CG 4.11Å; F37-L110 HydrophobicContact CZ-CD2 3.68Å; F37-L110 HydrophobicContact CZ-CG 4.2Å; Y40-L110 HydrophobicContact CE1-CD2 4.12Å; L90-L110 HydrophobicContact CD1-CD2 3.34Å; L90-L110 HydrophobicContact CD2-CD2 3.99Å; L90-L110 HydrophobicContact CG-CD2 4.27Å; V105-L110 HydrophobicContact CB-CD1 4.05Å; V105-L110 HydrophobicContact CG1-CD1 3.93Å; V105-L110 HydrophobicContact CG1-CG 4.27Å; S107-L110 PolarHBondContact O-N 3.35Å; E108-L110 VanDerWaalsContact C-N 3.35Å; L110-V133 HydrophobicContact CD1-CB 4.49Å; L110-V133 HydrophobicContact CD1-CG2 3.2Å; L110-V135 HydrophobicContact CD1-CG2 4.26Å
111	W	95.6	Very high	92.6	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.019	23%	0.23	C	C	.	.			trans	-67.6	131	164.4	179	89.6	0	0	0	109.2	Y40 K42 R45 P46 I54 W85 P113 Y176 V181	Y40-W111 PolarHBondContact OH-N 3.27Å; K42-W111 WeakPolarHBondContact O-CA 3.35Å; K42-W111 VanDerWaalsContact O-CB 3.3Å; K42-W111 WeakPolarHBondContact O-CB 3.42Å; K42-W111 VanDerWaalsContact O-CD1 3.23Å; R45-W111 HydrophobicContact CG-CZ2 3.91Å; P46-W111 VanDerWaalsContact CD-CE3 3.5Å; P46-W111 HydrophobicContact CG-CD2 4.18Å; P46-W111 HydrophobicContact CG-CE3 3.8Å; P46-W111 HydrophobicContact CG-CZ3 4.32Å; I54-W111 HydrophobicContact CD1-CH2 3.59Å; I54-W111 HydrophobicContact CD1-CZ2 3.93Å; I54-W111 HydrophobicContact CD1-CZ3 3.92Å; I54-W111 HydrophobicContact CG2-CH2 4.17Å; I54-W111 HydrophobicContact CG2-CZ3 4.24Å; W85-W111 AromaticContact CD1-CZ3 3.96Å; W85-W111 HydrophobicContact CG-CZ3 4.36Å; W85-W111 VanDerWaalsContact CZ2-O 3.32Å; W85-W111 WeakPolarHBondContact CZ2-O 3.27Å; W85-W111 AromaticContact NE1-CE3 3.81Å; W111-P113 HydrophobicContact CH2-CB 3.94Å; W111-P113 HydrophobicContact CZ3-CB 4.29Å; W111-Y176 HydrophobicContact CZ2-CE2 4.1Å; W111-Y176 PolarHBondContact NE1-OH 3.46Å; W111-V181 HydrophobicContact CH2-CG2 4.47Å
112	L	94.2	Very high	91.8	Very high	43 Å²	43	41 Å²	41	23%	0.225	22%	0.221	C	C	.	.			trans	-122.7	140.6	177	-59.8	173.8	0	0	0	109.3	W85 M130 W143	W85-L112 HydrophobicContact CH2-CD2 3.64Å; W85-L112 HydrophobicContact CZ2-CD2 3.93Å; L112-M130 HydrophobicContact CD1-SD 4.43Å; L112-W143 HydrophobicContact CD1-CH2 4.17Å; L112-W143 HydrophobicContact CD1-CZ2 4.49Å; L112-W143 HydrophobicContact CD1-CZ3 4.34Å; L112-W143 HydrophobicContact CD2-CD2 4.39Å; L112-W143 HydrophobicContact CD2-CE3 4.15Å; L112-W143 HydrophobicContact CD2-CZ3 4.39Å
113	P	94	Very high	90.5	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.039	22%	0.223	C	C	.	.			trans	-69.5	141.2	167.3	31.6	-34.3	0	0	0	110.1	V56 W85 W111 I115	V56-P113 HydrophobicContact CG1-CG 4.19Å; V56-P113 HydrophobicContact CG2-CB 4.08Å; V56-P113 HydrophobicContact CG2-CG 4.21Å; W85-P113 HydrophobicContact CE3-CG 4.42Å; W111-P113 HydrophobicContact CH2-CB 3.94Å; W111-P113 HydrophobicContact CZ3-CB 4.29Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 HydrophobicContact CB-CD1 4.14Å; P113-I115 HydrophobicContact CB-CG1 4.04Å; P113-I115 HydrophobicContact CG-CG1 4.24Å; P113-I115 PolarHBondContact O-N 3.39Å
114	D	91.9	Very high	89.5	Confident	39 Å²	39	49.5 Å²	49.5	21%	0.209	26%	0.259	C	S	.	.			trans	-87	57.5	-177.2	63.5	-24	0	0	0	111.7	V116 S173 W174 T175 Y176	D114-V116 PolarHBondContact O-N 3.3Å; D114-S173 WeakPolarHBondContact O-CA 3.38Å; D114-S173 WeakPolarHBondContact OD1-CB 3.46Å; D114-S173 PolarHBondContact OD1-OG 3.24Å; D114-W174 PolarHBondContact O-N 2.84Å; D114-W174 VanDerWaalsContact O-N 3.15Å; D114-W174 PolarHBondContact OD2-N 3.19Å; D114-T175 VanDerWaalsContact OD2-CB 3.28Å; D114-T175 WeakPolarHBondContact OD2-CB 3.44Å; D114-T175 WeakPolarHBondContact OD2-CG2 3.38Å; D114-T175 PolarHBondContact OD2-N 2.89Å; D114-T175 PolarHBondContact OD2-OG1 3.18Å; D114-Y176 VanDerWaalsContact OD1-CD2 3.26Å; D114-Y176 WeakPolarHBondContact OD1-CD2 3.42Å
115	I	93.1	Very high	88.2	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.072	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.4	-178.9	-50.7	-52.5	0	0	0	110.1	F58 P113 F171 G172 L183	F58-I115 HydrophobicContact CD2-CG2 4.4Å; F58-I115 HydrophobicContact CE2-CG2 3.91Å; F58-I115 HydrophobicContact CZ-CG2 4.27Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 HydrophobicContact CB-CD1 4.14Å; P113-I115 HydrophobicContact CB-CG1 4.04Å; P113-I115 HydrophobicContact CG-CG1 4.24Å; P113-I115 PolarHBondContact O-N 3.39Å; I115-F171 HydrophobicContact CG2-CB 4.1Å; I115-G172 WeakPolarHBondContact CA-O 3.27Å; I115-L183 HydrophobicContact CD1-CD1 4.31Å; I115-L183 HydrophobicContact CD1-CD2 3.66Å; I115-L183 HydrophobicContact CD1-CG 4.43Å; I115-L183 HydrophobicContact CG1-CD2 4.35Å
116	V	92.7	Very high	86.9	Confident	17 Å²	17	54.7 Å²	54.7	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157.1	-177.9	-59.7	0	0	0	0	111.5	D114 F118 F125 F171 G172 W174	D114-V116 PolarHBondContact O-N 3.3Å; V116-F118 HydrophobicContact CG2-CD1 3.97Å; V116-F118 HydrophobicContact CG2-CE1 3.94Å; V116-F125 HydrophobicContact CG1-CB 4.47Å; V116-F171 VanDerWaalsContact O-CA 3.31Å; V116-F171 WeakPolarHBondContact O-CA 3.44Å; V116-G172 PolarHBondContact N-O 2.98Å; V116-G172 PolarHBondContact O-N 2.9Å; V116-G172 VanDerWaalsContact O-N 3.08Å; V116-W174 HydrophobicContact CG1-CB 4.45Å; V116-W174 HydrophobicContact CG2-CB 3.95Å; V116-W174 HydrophobicContact CG2-CD2 4.33Å; V116-W174 HydrophobicContact CG2-CE3 3.68Å; V116-W174 HydrophobicContact CG2-CG 4.48Å
117	L	93.2	Very high	85.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.1	167.7	176.6	68	0	0	0	108.8	N120 F125 Y149 M169 K170 F171	L117-N120 HydrophobicContact CB-CB 4.33Å; L117-N120 HydrophobicContact CD2-CB 3.98Å; L117-N120 HydrophobicContact CG-CB 4.15Å; L117-F125 WeakPolarHBondContact O-CD1 3.36Å; L117-Y149 HydrophobicContact CB-CD1 4.06Å; L117-Y149 HydrophobicContact CB-CE1 3.94Å; L117-Y149 HydrophobicContact CD2-CD1 3.65Å; L117-Y149 HydrophobicContact CD2-CE1 4.39Å; L117-Y149 HydrophobicContact CD2-CG 3.89Å; L117-M169 HydrophobicContact CD1-CB 3.92Å; L117-M169 HydrophobicContact CD1-CE 4.46Å; L117-M169 HydrophobicContact CD2-CE 4.26Å; L117-K170 WeakPolarHBondContact CA-O 3.32Å; L117-F171 HydrophobicContact CB-CD1 4.31Å; L117-F171 HydrophobicContact CB-CE1 4.03Å; L117-F171 HydrophobicContact CD1-CE1 4.33Å; L117-F171 HydrophobicContact CD1-CE2 4.48Å; L117-F171 HydrophobicContact CD1-CZ 4.27Å
118	F	90.6	Very high	84.4	Confident	66 Å²	66	54 Å²	54	29%	0.289	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-36.8	-177.3	-66.6	-34.5	0	0	0	113.5	V116 N120 K170 W174 F222	V116-F118 HydrophobicContact CG2-CD1 3.97Å; V116-F118 HydrophobicContact CG2-CE1 3.94Å; F118-N120 VanDerWaalsContact C-N 3.32Å; F118-N120 PolarHBondContact O-N 2.91Å; F118-K170 HydrophobicContact CD2-CD 3.9Å; F118-K170 HydrophobicContact CD2-CG 3.84Å; F118-K170 HydrophobicContact CE2-CG 4.49Å; F118-K170 PolarHBondContact N-O 2.75Å; F118-W174 HydrophobicContact CD1-CE3 4.09Å; F118-W174 HydrophobicContact CD1-CZ3 4.12Å; F118-W174 HydrophobicContact CE1-CE3 4.02Å; F118-W174 HydrophobicContact CE1-CZ3 4.44Å; F118-F222 HydrophobicContact CE2-CB 4.17Å
119	E	87.3	Confident	83.8	Confident	81 Å²	81	53.4 Å²	53.4	38%	0.379	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	44.8	-176.7	-65.9	171.1	167	0	0	111.2	S151 S152	E119-S151 WeakPolarHBondContact O-CA 3.25Å; E119-S152 PolarHBondContact O-N 3.4Å
120	N	86.9	Confident	83.5	Confident	16 Å²	16	55.2 Å²	55.2	9%	0.086	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-87.3	121.4	179.9	-172.4	19.4	0	0	0	111.1	L117 F118 D122 R124 F125 K150	L117-N120 HydrophobicContact CB-CB 4.33Å; L117-N120 HydrophobicContact CD2-CB 3.98Å; L117-N120 HydrophobicContact CG-CB 4.15Å; F118-N120 VanDerWaalsContact C-N 3.32Å; F118-N120 PolarHBondContact O-N 2.91Å; N120-D122 PolarHBondContact OD1-N 3.47Å; N120-R124 PolarHBondContact ND2-O 2.91Å; N120-F125 HydrophobicContact CB-CD1 3.94Å; N120-F125 HydrophobicContact CB-CE1 3.73Å; N120-K150 PolarHBondContact OD1-O 3.03Å; N120-K150 VanDerWaalsContact OD1-O 3.07Å
121	A	82.2	Confident	83.4	Confident	44 Å²	44	56.7 Å²	56.7	36%	0.364	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.3	-176.8	0	0	0	0	0	114.1	L74 G123 K150	L74-A121 HydrophobicContact CD1-CB 4.36Å; L74-A121 HydrophobicContact CD2-CB 3.17Å; L74-A121 HydrophobicContact CG-CB 4.38Å; A121-G123 PolarHBondContact O-N 3.38Å; A121-K150 PolarHBondContact N-O 2.9Å
122	D	76.8	Confident	83.3	Confident	70 Å²	70	63.1 Å²	63.1	37%	0.374	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.9	-177.9	-91.2	-15.9	0	0	0	113.5	N120 R124 K150	N120-D122 PolarHBondContact OD1-N 3.47Å; D122-R124 PolarHBondContact O-N 3.36Å; D122-K150 VanDerWaalsContact OD1-CD 3.24Å; D122-K150 WeakPolarHBondContact OD1-CD 3.26Å; D122-K150 WeakPolarHBondContact OD1-CE 3.15Å; D122-K150 IonicContact OD1-NZ 3.32Å; D122-K150 PolarHBondContact OD1-NZ 3.43Å; D122-K150 VanDerWaalsContact OD2-CD 3.26Å; D122-K150 WeakPolarHBondContact OD2-CD 3.5Å; D122-K150 WeakPolarHBondContact OD2-CE 3.25Å; D122-K150 VanDerWaalsContact OD2-CG 3.23Å; D122-K150 WeakPolarHBondContact OD2-CG 3.33Å; D122-K150 IonicContact OD2-NZ 3.84Å; D122-K150 PolarHBondContact OD2-NZ 2.97Å
123	G	69.1	Low	83.4	Confident	50 Å²	50	61.1 Å²	61.1	52%	0.515	32%	0.317	S	S	.	.	S	Bend	trans	66.9	-2.2	-175.7	0	0	0	0	0	114.8	A121 F125	A121-G123 PolarHBondContact O-N 3.38Å; G123-F125 WeakPolarHBondContact O-CD2 3.43Å; G123-F125 WeakPolarHBondContact O-CE2 3.5Å
124	R	74.9	Confident	83.6	Confident	199 Å²	199	64.3 Å²	64.3	75%	0.751	33%	0.333	S	S	*	.			trans	-99	89.2	177.1	-64.9	-177.2	-176.8	-170.9	0.9	110.5	N120 D122 E126	N120-R124 PolarHBondContact ND2-O 2.91Å; D122-R124 PolarHBondContact O-N 3.36Å; R124-E126 VanDerWaalsContact C-N 3.32Å; R124-E126 PolarHBondContact O-N 3.44Å
125	F	68.3	Low	83.8	Confident	78 Å²	78	62.5 Å²	62.5	34%	0.342	32%	0.323	S	S	.	.	S	Bend	trans	-76.9	-16.5	-175.5	-61.1	-84.6	0	0	0	113.9	V116 L117 N120 G123 G127	V116-F125 HydrophobicContact CG1-CB 4.47Å; L117-F125 WeakPolarHBondContact O-CD1 3.36Å; N120-F125 HydrophobicContact CB-CD1 3.94Å; N120-F125 HydrophobicContact CB-CE1 3.73Å; G123-F125 WeakPolarHBondContact O-CD2 3.43Å; G123-F125 WeakPolarHBondContact O-CE2 3.5Å; F125-G127 VanDerWaalsContact C-N 3.34Å; F125-G127 PolarHBondContact O-N 3.25Å
126	E	66.1	Low	84.1	Confident	177 Å²	177	66.1 Å²	66.1	83%	0.827	34%	0.338	S	S	*	.			trans	-93.2	42.1	174.5	-62	-177.7	170	0	0	112.6	R124 S128	R124-E126 VanDerWaalsContact C-N 3.32Å; R124-E126 PolarHBondContact O-N 3.44Å; E126-S128 PolarHBondContact O-N 2.93Å
127	G	60	Low	84.2	Confident	31 Å²	31	66.5 Å²	66.5	32%	0.32	34%	0.342	S	S	.	.			trans	-73.9	8.2	-169.5	0	0	0	0	0	117.3	F125	F125-G127 VanDerWaalsContact C-N 3.34Å; F125-G127 PolarHBondContact O-N 3.25Å
128	S	75.6	Confident	84.4	Confident	20 Å²	20	70.5 Å²	70.5	14%	0.14	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-96.4	135.5	-177.1	-69.4	0	0	0	0	112	L81 E126 M130	L81-S128 WeakPolarHBondContact CD1-OG 3.4Å; E126-S128 PolarHBondContact O-N 2.93Å; S128-M130 PolarHBondContact O-N 3.44Å
129	L	81.5	Confident	84.6	Confident	113 Å²	113	67.3 Å²	67.3	59%	0.592	35%	0.349	S	S	*	.			trans	-67.8	127.4	173.5	-176.1	68.5	0	0	0	110.2	T131 P145 P146	L129-T131 VanDerWaalsContact C-N 3.33Å; L129-T131 HydrophobicContact CB-CG2 4.41Å; L129-T131 HydrophobicContact CD2-CG2 4.02Å; L129-T131 HydrophobicContact CG-CG2 4.12Å; L129-T131 PolarHBondContact O-N 3.35Å; L129-P145 VanDerWaalsContact O-CB 3.28Å; L129-P145 WeakPolarHBondContact O-CB 3.22Å; L129-P146 HydrophobicContact CB-CG 4.12Å; L129-P146 HydrophobicContact CD2-CG 4.24Å; L129-P146 PolarHBondContact N-O 3.07Å; L129-P146 VanDerWaalsContact N-O 3.14Å
130	M	84.9	Confident	85.1	Confident	83 Å²	83	64.1 Å²	64.1	41%	0.409	34%	0.336	S	S	.	.			trans	-71	87.9	176.1	-64.3	-58.8	156.1	0	0	110.6	E108 L112 S128 W143	E108-M130 HydrophobicContact CG-CB 4.15Å; E108-M130 HydrophobicContact CG-CG 4.24Å; L112-M130 HydrophobicContact CD1-SD 4.43Å; S128-M130 PolarHBondContact O-N 3.44Å; M130-W143 HydrophobicContact SD-CH2 4.26Å; M130-W143 HydrophobicContact SD-CZ2 3.95Å
131	T	92.3	Very high	85.6	Confident	37 Å²	37	63.4 Å²	63.4	23%	0.227	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-92.8	163.1	178.4	53.7	0	0	0	0	111.4	S107 L129 V133 W143	S107-T131 VanDerWaalsContact CB-O 3.24Å; S107-T131 WeakPolarHBondContact CB-O 3.27Å; S107-T131 PolarHBondContact N-O 2.95Å; S107-T131 PolarHBondContact OG-O 3.35Å; L129-T131 VanDerWaalsContact C-N 3.33Å; L129-T131 HydrophobicContact CB-CG2 4.41Å; L129-T131 HydrophobicContact CD2-CG2 4.02Å; L129-T131 HydrophobicContact CG-CG2 4.12Å; L129-T131 PolarHBondContact O-N 3.35Å; T131-V133 PolarHBondContact O-N 3.47Å; T131-W143 PolarHBondContact OG1-NE1 3.24Å
132	K	94.4	Very high	86.3	Confident	141 Å²	141	62.4 Å²	62.4	61%	0.613	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	137.1	171.1	-66.2	-172.2	179.1	-173	0	110.4	K104 V105	K104-K132 HydrophobicContact CB-CD 4.34Å; V105-K132 CarbonylContact O-C 3.58Å; V105-K132 WeakPolarHBondContact O-CA 3.27Å
133	V	95.9	Very high	87.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	157.6	171.2	-48.8	0	0	0	0	110.3	K104 V105 L110 T131 V135 V141 W143	K104-V133 WeakPolarHBondContact CA-O 3.32Å; V105-V133 HydrophobicContact CB-CG2 4.23Å; V105-V133 PolarHBondContact N-O 2.88Å; V105-V133 WeakPolarHBondContact O-CG2 3.24Å; V105-V133 PolarHBondContact O-N 3.3Å; L110-V133 HydrophobicContact CD1-CB 4.49Å; L110-V133 HydrophobicContact CD1-CG2 3.2Å; T131-V133 PolarHBondContact O-N 3.47Å; V133-V135 HydrophobicContact CG2-CG2 3.86Å; V133-V141 HydrophobicContact CB-CG1 4.1Å; V133-V141 HydrophobicContact CG2-CG1 4Å; V133-W143 HydrophobicContact CB-CB 4.42Å; V133-W143 HydrophobicContact CG1-CB 3.86Å; V133-W143 VanDerWaalsContact CG1-CD1 3.5Å; V133-W143 HydrophobicContact CG1-CG 3.71Å
134	I	97.3	Very high	88.5	Confident	73 Å²	73	59.7 Å²	59.7	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.4	171	-59.4	169.8	0	0	0	107.5	K104 V142	K104-I134 HydrophobicContact CG-CG1 4.42Å; I134-V142 PolarHBondContact N-O 2.93Å; I134-V142 PolarHBondContact O-N 2.9Å
135	V	97.4	Very high	89.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130	173.5	-171.6	0	0	0	0	108	L90 W92 S102 I103 V105 L110 V133 V141	L90-V135 HydrophobicContact CB-CG1 3.91Å; L90-V135 HydrophobicContact CD1-CG1 4.21Å; L90-V135 HydrophobicContact CD1-CG2 4.46Å; W92-V135 HydrophobicContact CH2-CG1 4.37Å; W92-V135 HydrophobicContact CZ3-CG1 3.91Å; S102-V135 CarbonylContact C-O 3.57Å; S102-V135 WeakPolarHBondContact CA-O 3.32Å; I103-V135 HydrophobicContact CD1-CB 4.5Å; I103-V135 HydrophobicContact CG1-CB 3.92Å; I103-V135 PolarHBondContact N-O 3.45Å; I103-V135 PolarHBondContact O-N 3.44Å; V105-V135 HydrophobicContact CG2-CG2 4.25Å; L110-V135 HydrophobicContact CD1-CG2 4.26Å; V133-V135 HydrophobicContact CG2-CG2 3.86Å; V135-V141 HydrophobicContact CG1-CG2 4.29Å; V135-V141 HydrophobicContact CG2-CG1 4.43Å; V135-V141 HydrophobicContact CG2-CG2 4.31Å
136	K	97.7	Very high	90.7	Very high	90 Å²	90	48.2 Å²	48.2	39%	0.391	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	154.4	174.4	-66	178.9	-177.1	171.8	0	110.5	W92 H101 N138 G139 T140	W92-K136 WeakPolarHBondContact CZ3-O 3.4Å; H101-K136 WeakPolarHBondContact O-CA 3.46Å; K136-N138 WeakPolarHBondContact CB-OD1 3.49Å; K136-N138 PolarHBondContact O-N 3.21Å; K136-N138 VanDerWaalsContact O-N 3.09Å; K136-G139 WeakPolarHBondContact O-CA 3.43Å; K136-G139 PolarHBondContact O-N 3.19Å; K136-T140 PolarHBondContact N-O 2.95Å
137	S	96.6	Very high	91.9	Very high	25 Å²	25	40.1 Å²	40.1	18%	0.175	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.3	-179.5	46.2	0	0	0	0	115	R91 W92 H101 G139	R91-S137 WeakPolarHBondContact CA-O 3.45Å; W92-S137 VanDerWaalsContact CH2-CA 3.49Å; W92-S137 VanDerWaalsContact CH2-N 3.26Å; W92-S137 VanDerWaalsContact CZ2-CA 3.48Å; W92-S137 PolarHBondContact N-O 2.97Å; H101-S137 PolarHBondContact O-N 3.25Å; H101-S137 PolarHBondContact O-OG 2.95Å; S137-G139 PolarHBondContact O-N 2.83Å
138	N	96.1	Very high	93.4	Very high	85 Å²	85	41.7 Å²	41.7	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	0.6	174.8	71.5	-19.1	0	0	0	114.2	R91 K136 T140	R91-N138 WeakPolarHBondContact CG-O 3.4Å; R91-N138 PolarHBondContact NE-O 3.1Å; K136-N138 WeakPolarHBondContact CB-OD1 3.49Å; K136-N138 PolarHBondContact O-N 3.21Å; K136-N138 VanDerWaalsContact O-N 3.09Å; N138-T140 PolarHBondContact ND2-OG1 2.95Å; N138-T140 VanDerWaalsContact OD1-CB 3.28Å; N138-T140 WeakPolarHBondContact OD1-CB 3.16Å; N138-T140 PolarHBondContact OD1-N 3.24Å; N138-T140 PolarHBondContact OD1-OG1 2.83Å; N138-T140 VanDerWaalsContact OD1-OG1 3.12Å
139	G	95.1	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	84.8	5	-177.4	0	0	0	0	0	114.1	T86 D87 K136 S137 V141	T86-G139 WeakPolarHBondContact CA-O 3.42Å; D87-G139 PolarHBondContact N-O 3Å; D87-G139 WeakPolarHBondContact O-CA 3.29Å; K136-G139 WeakPolarHBondContact O-CA 3.43Å; K136-G139 PolarHBondContact O-N 3.19Å; S137-G139 PolarHBondContact O-N 2.83Å; G139-V141 PolarHBondContact O-N 3.15Å
140	T	97.5	Very high	94.8	Very high	14 Å²	14	39 Å²	39	9%	0.086	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.5	173.6	-59.1	0	0	0	0	109.8	E84 W85 K136 N138 V142	E84-T140 HydrophobicContact CG-CG2 3.76Å; E84-T140 VanDerWaalsContact OE1-CG2 3.29Å; E84-T140 WeakPolarHBondContact OE1-CG2 3.48Å; W85-T140 WeakPolarHBondContact O-CA 3.27Å; K136-T140 PolarHBondContact N-O 2.95Å; N138-T140 PolarHBondContact ND2-OG1 2.95Å; N138-T140 VanDerWaalsContact OD1-CB 3.28Å; N138-T140 WeakPolarHBondContact OD1-CB 3.16Å; N138-T140 PolarHBondContact OD1-N 3.24Å; N138-T140 PolarHBondContact OD1-OG1 2.83Å; N138-T140 VanDerWaalsContact OD1-OG1 3.12Å; T140-V142 HydrophobicContact CG2-CG2 4.25Å
141	V	97.9	Very high	95.2	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.1	176.1	-174.1	0	0	0	0	108.5	E84 W85 D87 L90 V133 V135 G139	E84-V141 VanDerWaalsContact CA-O 3.29Å; E84-V141 WeakPolarHBondContact CA-O 3.25Å; W85-V141 HydrophobicContact CD2-CB 4.02Å; W85-V141 HydrophobicContact CD2-CG1 4.39Å; W85-V141 HydrophobicContact CE3-CB 4.46Å; W85-V141 HydrophobicContact CH2-CB 4.28Å; W85-V141 HydrophobicContact CH2-CG1 3.58Å; W85-V141 HydrophobicContact CZ2-CB 3.83Å; W85-V141 HydrophobicContact CZ2-CG1 3.38Å; W85-V141 HydrophobicContact CZ2-CG2 4.42Å; W85-V141 HydrophobicContact CZ3-CG1 4.17Å; W85-V141 PolarHBondContact N-O 2.83Å; W85-V141 VanDerWaalsContact N-O 3.08Å; W85-V141 PolarHBondContact O-N 2.81Å; D87-V141 HydrophobicContact CB-CG2 4.19Å; L90-V141 HydrophobicContact CD1-CG2 3.93Å; V133-V141 HydrophobicContact CB-CG1 4.1Å; V133-V141 HydrophobicContact CG2-CG1 4Å; V135-V141 HydrophobicContact CG1-CG2 4.29Å; V135-V141 HydrophobicContact CG2-CG1 4.43Å; V135-V141 HydrophobicContact CG2-CG2 4.31Å; G139-V141 PolarHBondContact O-N 3.15Å
142	V	97.3	Very high	95.2	Very high	22 Å²	22	35.9 Å²	35.9	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.4	175.4	-176.2	0	0	0	0	108.5	E84 I134 T140	E84-V142 HydrophobicContact CB-CG2 4.44Å; E84-V142 HydrophobicContact CG-CG2 4.1Å; I134-V142 PolarHBondContact N-O 2.93Å; I134-V142 PolarHBondContact O-N 2.9Å; T140-V142 HydrophobicContact CG2-CG2 4.25Å
143	W	96.3	Very high	95.1	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.038	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.8	176.2	-173.2	38	0	0	0	109.6	Q83 W85 L112 M130 T131 V133 P145	Q83-W143 PolarHBondContact N-O 3.47Å; Q83-W143 PolarHBondContact O-N 2.82Å; W85-W143 HydrophobicContact CH2-CB 3.97Å; W85-W143 HydrophobicContact CZ3-CB 3.85Å; L112-W143 HydrophobicContact CD1-CH2 4.17Å; L112-W143 HydrophobicContact CD1-CZ2 4.49Å; L112-W143 HydrophobicContact CD1-CZ3 4.34Å; L112-W143 HydrophobicContact CD2-CD2 4.39Å; L112-W143 HydrophobicContact CD2-CE3 4.15Å; L112-W143 HydrophobicContact CD2-CZ3 4.39Å; M130-W143 HydrophobicContact SD-CH2 4.26Å; M130-W143 HydrophobicContact SD-CZ2 3.95Å; T131-W143 PolarHBondContact OG1-NE1 3.24Å; V133-W143 HydrophobicContact CB-CB 4.42Å; V133-W143 HydrophobicContact CG1-CB 3.86Å; V133-W143 VanDerWaalsContact CG1-CD1 3.5Å; V133-W143 HydrophobicContact CG1-CG 3.71Å; W143-P145 HydrophobicContact CD2-CG 3.87Å; W143-P145 HydrophobicContact CE3-CG 4.2Å; W143-P145 HydrophobicContact CG-CG 4.47Å; W143-P145 HydrophobicContact CH2-CG 3.97Å; W143-P145 HydrophobicContact CZ2-CB 3.81Å; W143-P145 HydrophobicContact CZ2-CG 3.62Å; W143-P145 HydrophobicContact CZ3-CG 4.25Å
144	T	94.9	Very high	94.8	Very high	54 Å²	54	34.5 Å²	34.5	33%	0.331	20%	0.197	S	C	.	.			trans	-139.6	65.6	-178.4	-47.5	0	0	0	0	110.5	W80 L81 K82	W80-T144 HydrophobicContact CB-CG2 4.04Å; L81-T144 WeakPolarHBondContact O-CA 3.35Å; K82-T144 HydrophobicContact CB-CG2 4.34Å
145	P	94.9	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.			trans	-70.1	144.1	-179.8	31.4	-37.5	0	0	0	110.9	L81 L129 W143	L81-P145 HydrophobicContact CB-CG 4.29Å; L81-P145 PolarHBondContact N-O 3.44Å; L81-P145 VanDerWaalsContact O-CD 3.3Å; L81-P145 WeakPolarHBondContact O-CD 3.33Å; L129-P145 VanDerWaalsContact O-CB 3.28Å; L129-P145 WeakPolarHBondContact O-CB 3.22Å; W143-P145 HydrophobicContact CD2-CG 3.87Å; W143-P145 HydrophobicContact CE3-CG 4.2Å; W143-P145 HydrophobicContact CG-CG 4.47Å; W143-P145 HydrophobicContact CH2-CG 3.97Å; W143-P145 HydrophobicContact CZ2-CB 3.81Å; W143-P145 HydrophobicContact CZ2-CG 3.62Å; W143-P145 HydrophobicContact CZ3-CG 4.25Å
146	P	94.3	Very high	93.9	Very high	35 Å²	35	35.8 Å²	35.8	23%	0.227	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.5	163.9	31.7	-31.1	0	0	0	109.8	V79 W80 L129	V79-P146 WeakPolarHBondContact O-CA 3.34Å; W80-P146 HydrophobicContact CD2-CB 4.2Å; W80-P146 HydrophobicContact CE3-CB 3.83Å; W80-P146 HydrophobicContact CE3-CG 4.35Å; W80-P146 HydrophobicContact CH2-CB 3.99Å; W80-P146 HydrophobicContact CH2-CG 4.25Å; W80-P146 HydrophobicContact CZ2-CB 4.34Å; W80-P146 HydrophobicContact CZ3-CB 3.73Å; W80-P146 HydrophobicContact CZ3-CG 3.88Å; L129-P146 HydrophobicContact CB-CG 4.12Å; L129-P146 HydrophobicContact CD2-CG 4.24Å; L129-P146 PolarHBondContact N-O 3.07Å; L129-P146 VanDerWaalsContact N-O 3.14Å
147	A	92.1	Very high	93.5	Very high	8 Å²	8	31.7 Å²	31.7	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.7	175.7	0	0	0	0	0	110.3	V79 L81 Y149	V79-A147 HydrophobicContact CG2-CB 4.41Å; V79-A147 PolarHBondContact N-O 3.42Å; V79-A147 PolarHBondContact O-N 2.95Å; L81-A147 HydrophobicContact CD1-CB 4.36Å; A147-Y149 HydrophobicContact CB-CD2 4.01Å; A147-Y149 HydrophobicContact CB-CE2 3.48Å; A147-Y149 VanDerWaalsContact CB-CE2 3.48Å
148	S	91.9	Very high	93	Very high	63 Å²	63	32.2 Å²	32.2	44%	0.441	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.3	168.3	-164.8	0	0	0	0	107.8	T77 N78	T77-S148 WeakPolarHBondContact O-CA 3.48Å; N78-S148 VanDerWaalsContact OD1-CB 3.3Å; N78-S148 WeakPolarHBondContact OD1-CB 3.33Å; N78-S148 PolarHBondContact OD1-OG 2.91Å
149	Y	92.9	Very high	92.7	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.8	-177.6	-76	-63.2	0	0	0	111.2	T76 T77 V79 L81 L117 A147 M169 F171	T76-Y149 CarbonylContact C-O 3.56Å; T76-Y149 VanDerWaalsContact CA-O 3.31Å; T76-Y149 WeakPolarHBondContact CA-O 3.4Å; T77-Y149 PolarHBondContact N-O 2.88Å; T77-Y149 PolarHBondContact O-N 3.48Å; V79-Y149 HydrophobicContact CG2-CD2 3.61Å; V79-Y149 HydrophobicContact CG2-CE2 3.89Å; L81-Y149 HydrophobicContact CD1-CE2 3.94Å; L81-Y149 VanDerWaalsContact CD1-OH 3.3Å; L81-Y149 WeakPolarHBondContact CD1-OH 3.3Å; L81-Y149 HydrophobicContact CD2-CE2 4.14Å; L81-Y149 HydrophobicContact CG-CE2 4.34Å; L117-Y149 HydrophobicContact CB-CD1 4.06Å; L117-Y149 HydrophobicContact CB-CE1 3.94Å; L117-Y149 HydrophobicContact CD2-CD1 3.65Å; L117-Y149 HydrophobicContact CD2-CE1 4.39Å; L117-Y149 HydrophobicContact CD2-CG 3.89Å; A147-Y149 HydrophobicContact CB-CD2 4.01Å; A147-Y149 HydrophobicContact CB-CE2 3.48Å; A147-Y149 VanDerWaalsContact CB-CE2 3.48Å; Y149-M169 HydrophobicContact CD2-CE 3.89Å; Y149-M169 HydrophobicContact CG-CE 4.01Å; Y149-F171 HydrophobicContact CD2-CE1 4.29Å; Y149-F171 HydrophobicContact CD2-CZ 4.2Å; Y149-F171 AromaticContact CE2-CE1 3.71Å; Y149-F171 HydrophobicContact CE2-CE1 3.71Å; Y149-F171 HydrophobicContact CE2-CZ 4Å; Y149-F171 AromaticContact CZ-CE1 3.92Å
150	K	93.1	Very high	92.3	Very high	72 Å²	72	31.7 Å²	31.7	31%	0.313	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	93.1	165.2	-60.8	-161.8	-150	144.6	0	109.6	M75 T76 N120 A121 D122	M75-K150 CarbonylContact O-C 3.52Å; M75-K150 WeakPolarHBondContact O-CA 3.49Å; T76-K150 HydrophobicContact CG2-CG 4.04Å; N120-K150 PolarHBondContact OD1-O 3.03Å; N120-K150 VanDerWaalsContact OD1-O 3.07Å; A121-K150 PolarHBondContact N-O 2.9Å; D122-K150 VanDerWaalsContact OD1-CD 3.24Å; D122-K150 WeakPolarHBondContact OD1-CD 3.26Å; D122-K150 WeakPolarHBondContact OD1-CE 3.15Å; D122-K150 IonicContact OD1-NZ 3.32Å; D122-K150 PolarHBondContact OD1-NZ 3.43Å; D122-K150 VanDerWaalsContact OD2-CD 3.26Å; D122-K150 WeakPolarHBondContact OD2-CD 3.5Å; D122-K150 WeakPolarHBondContact OD2-CE 3.25Å; D122-K150 VanDerWaalsContact OD2-CG 3.23Å; D122-K150 WeakPolarHBondContact OD2-CG 3.33Å; D122-K150 IonicContact OD2-NZ 3.84Å; D122-K150 PolarHBondContact OD2-NZ 2.97Å
151	S	93.4	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.9	178	53.2	0	0	0	0	110.9	M75 E119 C153	M75-S151 VanDerWaalsContact CE-OG 3.28Å; M75-S151 WeakPolarHBondContact CE-OG 3.48Å; M75-S151 PolarHBondContact N-O 2.97Å; M75-S151 PolarHBondContact O-N 3.48Å; M75-S151 PolarHBondContact O-OG 3.43Å; E119-S151 WeakPolarHBondContact O-CA 3.25Å; S151-C153 PolarHBondContact O-N 3.46Å
152	S	92.5	Very high	91.5	Very high	55 Å²	55	32.8 Å²	32.8	39%	0.385	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.8	167.4	-62.5	0	0	0	0	110.1	E119	E119-S152 PolarHBondContact O-N 3.4Å
153	C	91.9	Very high	91.1	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.061	18%	0.181	C	C	.	.			trans	-141.5	124	178	173.5	0	0	0	0	110.2	Q73 M75 S151 M155 C167	Q73-C153 CarbonylContact C-O 3.56Å; Q73-C153 WeakPolarHBondContact CB-O 3.15Å; Q73-C153 PolarHBondContact O-N 2.99Å; M75-C153 HydrophobicContact CB-CB 4.48Å; S151-C153 PolarHBondContact O-N 3.46Å; C153-M155 HydrophobicContact CB-CE 3.72Å; C153-M155 HydrophobicContact CB-SD 4.48Å; C153-M155 PolarHBondContact O-N 2.87Å; C153-M155 VanDerWaalsContact SG-SD 3.7Å; C153-C167 HydrophobicContact CB-CB 3.71Å; C153-C167 WeakPolarHBondContact CB-SG 3.45Å; C153-C167 WeakPolarHBondContact SG-CA 3.41Å; C153-C167 WeakPolarHBondContact SG-CB 3.25Å; C153-C167 CovalentContact SG-SG 2.04Å; C153-C167 PolarHBondContact SG-SG 2.77Å
154	T	89.1	Confident	90.8	Very high	103 Å²	103	36.9 Å²	36.9	63%	0.632	20%	0.2	S	C	*	.			trans	-73.1	117.4	176.1	55.9	0	0	0	0	110.1
155	M	88.5	Confident	90.8	Very high	20 Å²	20	34.5 Å²	34.5	10%	0.099	19%	0.185	C	C	.	.			trans	-94.1	141.3	-179.8	-55	-59.8	177.7	0	0	111.7	V68 C153 Q165	V68-M155 HydrophobicContact CG1-CE 3.37Å; V68-M155 HydrophobicContact CG1-SD 4.17Å; C153-M155 HydrophobicContact CB-CE 3.72Å; C153-M155 HydrophobicContact CB-SD 4.48Å; C153-M155 PolarHBondContact O-N 2.87Å; C153-M155 VanDerWaalsContact SG-SD 3.7Å; M155-Q165 HydrophobicContact SD-CB 3.97Å; M155-Q165 HydrophobicContact SD-CG 3.79Å
156	D	88.3	Confident	90.8	Very high	81 Å²	81	39.4 Å²	39.4	43%	0.433	21%	0.212	S	C	.	.			trans	-106.5	106.4	169.9	-175.6	-2.8	0	0	0	110.2	T158 Q165	D156-T158 VanDerWaalsContact OD1-CB 3.27Å; D156-T158 WeakPolarHBondContact OD1-CB 3.46Å; D156-T158 PolarHBondContact OD1-N 2.84Å; D156-T158 PolarHBondContact OD1-OG1 3.23Å; D156-Q165 PolarHBondContact O-NE2 3.38Å
157	V	88.3	Confident	90.8	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	20%	0.201	C	C	.	.			trans	-95.6	10.5	-176.7	-65.3	0	0	0	0	113.4	F159 F160 I286 P287 P294	V157-F159 PolarHBondContact O-N 3.47Å; V157-F159 VanDerWaalsContact O-N 3.15Å; V157-F160 WeakPolarHBondContact O-CB 3.42Å; V157-F160 PolarHBondContact O-N 2.8Å; V157-I286 HydrophobicContact CG2-CG2 4.05Å; V157-P287 HydrophobicContact CG1-CG 4.11Å; V157-P287 HydrophobicContact CG2-CG 4.4Å; V157-P294 HydrophobicContact CG2-CG 3.94Å
158	T	87.7	Confident	90.9	Very high	36 Å²	36	39.3 Å²	39.3	22%	0.221	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-43.2	-176.6	-59.3	0	0	0	0	112.6	D156 L295	D156-T158 VanDerWaalsContact OD1-CB 3.27Å; D156-T158 WeakPolarHBondContact OD1-CB 3.46Å; D156-T158 PolarHBondContact OD1-N 2.84Å; D156-T158 PolarHBondContact OD1-OG1 3.23Å; T158-L295 WeakPolarHBondContact O-CB 3.43Å; T158-L295 PolarHBondContact O-N 2.67Å
159	F	88.1	Confident	91.1	Very high	62 Å²	62	36.3 Å²	36.3	27%	0.272	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	22.3	-175.4	-63.8	-72.3	0	0	0	114.4	V157 F162 P448 A449 M452	V157-F159 PolarHBondContact O-N 3.47Å; V157-F159 VanDerWaalsContact O-N 3.15Å; F159-F162 CarbonylContact O-C 3.58Å; F159-F162 WeakPolarHBondContact O-CA 3.23Å; F159-F162 PolarHBondContact O-N 3.37Å; F159-P448 HydrophobicContact CE1-CB 4.14Å; F159-A449 HydrophobicContact CD1-CB 4.11Å; F159-M452 HydrophobicContact CB-CE 3.28Å; F159-M452 HydrophobicContact CB-SD 4.13Å; F159-M452 HydrophobicContact CD1-CE 4.24Å; F159-M452 HydrophobicContact CD1-SD 4.33Å; F159-M452 HydrophobicContact CD2-CE 3.66Å; F159-M452 HydrophobicContact CD2-SD 3.26Å; F159-M452 WeakPolarHBondContact CD2-SD 3.42Å; F159-M452 HydrophobicContact CE2-SD 3.62Å; F159-M452 HydrophobicContact CG-CE 3.47Å; F159-M452 VanDerWaalsContact CG-CE 3.47Å; F159-M452 HydrophobicContact CG-SD 3.65Å; F159-M452 HydrophobicContact CZ-SD 4.3Å
160	F	87.3	Confident	91.1	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.053	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	136.3	177.5	-178	-88.1	0	0	0	112.2	V157 Y236 L240 I296	V157-F160 WeakPolarHBondContact O-CB 3.42Å; V157-F160 PolarHBondContact O-N 2.8Å; F160-Y236 HydrophobicContact CE1-CD1 4.02Å; F160-Y236 HydrophobicContact CE1-CE1 4.48Å; F160-Y236 HydrophobicContact CE1-CG 4.29Å; F160-Y236 HydrophobicContact CE2-CE1 4.44Å; F160-Y236 AromaticContact CZ-CD1 3.55Å; F160-Y236 HydrophobicContact CZ-CD1 3.55Å; F160-Y236 HydrophobicContact CZ-CD2 4.33Å; F160-Y236 AromaticContact CZ-CE1 3.61Å; F160-Y236 HydrophobicContact CZ-CE1 3.61Å; F160-Y236 HydrophobicContact CZ-CE2 4.4Å; F160-Y236 AromaticContact CZ-CG 3.9Å; F160-Y236 HydrophobicContact CZ-CG 3.9Å; F160-L240 HydrophobicContact CE1-CD1 4.19Å; F160-I296 HydrophobicContact CD1-CG2 4.23Å
161	P	89.1	Confident	91.3	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.026	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.7	13.1	-0	38.7	-38	0	0	0	113.9	D163 P233 Y236 I241	P161-D163 VanDerWaalsContact C-OD1 3.25Å; P161-D163 PolarHBondContact O-N 3.01Å; P161-P233 HydrophobicContact CB-CB 4.31Å; P161-P233 HydrophobicContact CG-CB 4.07Å; P161-Y236 HydrophobicContact CB-CD2 3.98Å; P161-Y236 HydrophobicContact CB-CG 3.97Å; P161-I241 HydrophobicContact CG-CD1 4.2Å
162	F	89.3	Confident	91.3	Very high	33 Å²	33	34.9 Å²	34.9	15%	0.145	18%	0.184	C	C	.	.	S	Bend	trans	-92.7	34.3	-179.2	-55.5	-73.4	0	0	0	111.7	F159 P233 I241 A449 M452 W453	F159-F162 CarbonylContact O-C 3.58Å; F159-F162 WeakPolarHBondContact O-CA 3.23Å; F159-F162 PolarHBondContact O-N 3.37Å; F162-P233 HydrophobicContact CD1-CB 3.7Å; F162-P233 HydrophobicContact CD1-CG 3.8Å; F162-P233 HydrophobicContact CE1-CB 3.59Å; F162-P233 HydrophobicContact CE1-CG 3.67Å; F162-P233 HydrophobicContact CZ-CB 4.42Å; F162-I241 HydrophobicContact CE2-CD1 3.96Å; F162-I241 HydrophobicContact CZ-CD1 4.21Å; F162-A449 HydrophobicContact CD2-CB 4.22Å; F162-M452 WeakPolarHBondContact O-CE 3.32Å; F162-W453 HydrophobicContact CB-CB 4.17Å; F162-W453 HydrophobicContact CB-CG 4.35Å; F162-W453 HydrophobicContact CD1-CB 4.29Å; F162-W453 AromaticContact CD1-CD1 3.55Å; F162-W453 HydrophobicContact CD1-CD2 4.43Å; F162-W453 AromaticContact CD1-CG 3.84Å; F162-W453 HydrophobicContact CD1-CG 3.84Å; F162-W453 AromaticContact CD1-NE1 3.94Å; F162-W453 HydrophobicContact CG-CB 4.41Å; F162-W453 HydrophobicContact CG-CG 4.4Å
163	D	89.3	Confident	91.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.168	C	C	.	.			trans	-89.9	160.7	-169.2	57.5	-51.2	0	0	0	113.5	P161 Q165 R231	P161-D163 VanDerWaalsContact C-OD1 3.25Å; P161-D163 PolarHBondContact O-N 3.01Å; D163-Q165 PolarHBondContact OD2-NE2 2.82Å; D163-R231 PolarHBondContact O-N 3.21Å; D163-R231 IonicContact OD1-CZ 3.27Å; D163-R231 IonicContact OD1-NE 2.93Å; D163-R231 PolarHBondContact OD1-NE 3.24Å; D163-R231 IonicContact OD1-NH2 3.91Å; D163-R231 IonicContact OD2-CZ 3.26Å; D163-R231 IonicContact OD2-NE 2.63Å; D163-R231 IonicContact OD2-NH2 3.78Å; D163-R231 PolarHBondContact OD2-NH2 3.49Å
164	R	91	Very high	91.4	Very high	115 Å²	115	39.8 Å²	39.8	43%	0.434	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.7	169.5	-71.7	179.2	173.4	-165.9	-7.3	108	L229 S456	R164-L229 CarbonylContact C-O 3.53Å; R164-L229 VanDerWaalsContact CA-O 3.26Å; R164-L229 WeakPolarHBondContact CA-O 3.43Å; R164-S456 VanDerWaalsContact CZ-OG 3.22Å; R164-S456 PolarHBondContact NE-OG 2.8Å; R164-S456 PolarHBondContact NH2-O 3.29Å; R164-S456 PolarHBondContact NH2-OG 3.43Å
165	Q	93.5	Very high	91.5	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.8	178.3	-55.9	-55.3	-24.6	0	0	110.2	M155 D156 D163 W201 V228 L229	M155-Q165 HydrophobicContact SD-CB 3.97Å; M155-Q165 HydrophobicContact SD-CG 3.79Å; D156-Q165 PolarHBondContact O-NE2 3.38Å; D163-Q165 PolarHBondContact OD2-NE2 2.82Å; Q165-W201 HydrophobicContact CB-CZ3 4.47Å; Q165-W201 HydrophobicContact CG-CH2 3.71Å; Q165-W201 HydrophobicContact CG-CZ3 3.88Å; Q165-V228 CarbonylContact O-C 3.6Å; Q165-V228 WeakPolarHBondContact O-CA 3.47Å; Q165-L229 HydrophobicContact CB-CB 4.42Å; Q165-L229 PolarHBondContact N-O 2.96Å; Q165-L229 PolarHBondContact O-N 3.39Å
166	N	94.4	Very high	91.7	Very high	103 Å²	103	40.4 Å²	40.4	55%	0.551	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	94.9	176.3	-176.6	11.6	0	0	0	109.1	F227	N166-F227 WeakPolarHBondContact CA-O 3.26Å
167	C	95.1	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.9	-177.9	-65.2	0	0	0	0	111.2	M75 C153 S226 F227	M75-C167 HydrophobicContact CE-CB 4.08Å; M75-C167 HydrophobicContact SD-CB 3.62Å; C153-C167 HydrophobicContact CB-CB 3.71Å; C153-C167 WeakPolarHBondContact CB-SG 3.45Å; C153-C167 WeakPolarHBondContact SG-CA 3.41Å; C153-C167 WeakPolarHBondContact SG-CB 3.25Å; C153-C167 CovalentContact SG-SG 2.04Å; C153-C167 PolarHBondContact SG-SG 2.77Å; C167-S226 CarbonylContact O-C 3.5Å; C167-S226 WeakPolarHBondContact O-CA 2.89Å; C167-F227 PolarHBondContact N-O 2.91Å; C167-F227 PolarHBondContact O-N 2.92Å
168	S	95	Very high	92.1	Very high	41 Å²	41	37.9 Å²	37.9	29%	0.287	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.3	177.7	52.5	0	0	0	0	111.8	Y225	S168-Y225 CarbonylContact C-O 3.57Å; S168-Y225 VanDerWaalsContact CA-O 3.31Å; S168-Y225 WeakPolarHBondContact CA-O 3.4Å
169	M	94.6	Very high	92.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.3	168.4	-61.8	179.3	78.6	0	0	108.7	M75 L117 Y149 F171 T224 Y225 F227	M75-M169 HydrophobicContact CE-CG 3.74Å; M75-M169 HydrophobicContact CE-SD 3.83Å; L117-M169 HydrophobicContact CD1-CB 3.92Å; L117-M169 HydrophobicContact CD1-CE 4.46Å; L117-M169 HydrophobicContact CD2-CE 4.26Å; Y149-M169 HydrophobicContact CD2-CE 3.89Å; Y149-M169 HydrophobicContact CG-CE 4.01Å; M169-F171 HydrophobicContact CB-CD2 4.44Å; M169-F171 HydrophobicContact CB-CE2 3.74Å; M169-F171 HydrophobicContact CB-CZ 4.37Å; M169-F171 HydrophobicContact CE-CE2 4.25Å; M169-F171 HydrophobicContact CE-CZ 3.8Å; M169-T224 CarbonylContact O-C 3.54Å; M169-T224 WeakPolarHBondContact O-CA 3.5Å; M169-Y225 PolarHBondContact N-O 3.26Å; M169-Y225 PolarHBondContact O-N 3.22Å; M169-F227 HydrophobicContact CG-CD2 4.44Å; M169-F227 HydrophobicContact CG-CE2 4.06Å; M169-F227 HydrophobicContact SD-CD2 4.42Å; M169-F227 HydrophobicContact SD-CE2 3.66Å; M169-F227 HydrophobicContact SD-CZ 4.3Å
170	K	94.8	Very high	92.6	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.7	-175.7	-171.6	176.7	176.5	174.4	0	111.4	L117 F118 F222	L117-K170 WeakPolarHBondContact CA-O 3.32Å; F118-K170 HydrophobicContact CD2-CD 3.9Å; F118-K170 HydrophobicContact CD2-CG 3.84Å; F118-K170 HydrophobicContact CE2-CG 4.49Å; F118-K170 PolarHBondContact N-O 2.75Å; K170-F222 HydrophobicContact CD-CD2 4.02Å; K170-F222 HydrophobicContact CD-CE2 4.18Å; K170-F222 HydrophobicContact CD-CG 4.33Å; K170-F222 VanDerWaalsContact CE-CD1 3.43Å; K170-F222 VanDerWaalsContact CE-CE2 3.45Å; K170-F222 HydrophobicContact CG-CB 4.29Å; K170-F222 HydrophobicContact CG-CD2 3.76Å; K170-F222 HydrophobicContact CG-CE2 4.33Å; K170-F222 HydrophobicContact CG-CG 4.14Å
171	F	95.6	Very high	93	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.2	-179.9	-65.2	-84.3	0	0	0	111.4	F58 L60 L81 I115 V116 L117 Y149 M169 F222 I223 Y225	F58-F171 HydrophobicContact CE1-CB 3.69Å; F58-F171 HydrophobicContact CE1-CD1 4.47Å; F58-F171 AromaticContact CE1-CD2 3.8Å; F58-F171 HydrophobicContact CE1-CD2 3.8Å; F58-F171 AromaticContact CE1-CG 3.74Å; F58-F171 HydrophobicContact CE1-CG 3.74Å; F58-F171 HydrophobicContact CZ-CB 3.78Å; F58-F171 AromaticContact CZ-CD1 3.87Å; F58-F171 HydrophobicContact CZ-CD1 3.87Å; F58-F171 AromaticContact CZ-CD2 3.95Å; F58-F171 HydrophobicContact CZ-CD2 3.95Å; F58-F171 HydrophobicContact CZ-CE1 4.43Å; F58-F171 HydrophobicContact CZ-CE2 4.5Å; F58-F171 AromaticContact CZ-CG 3.59Å; F58-F171 HydrophobicContact CZ-CG 3.59Å; L60-F171 HydrophobicContact CD1-CE2 4.33Å; L60-F171 HydrophobicContact CD1-CZ 4.33Å; L60-F171 HydrophobicContact CD2-CE2 4.38Å; L81-F171 HydrophobicContact CD2-CE1 4.01Å; L81-F171 HydrophobicContact CD2-CZ 4.08Å; I115-F171 HydrophobicContact CG2-CB 4.1Å; V116-F171 VanDerWaalsContact O-CA 3.31Å; V116-F171 WeakPolarHBondContact O-CA 3.44Å; L117-F171 HydrophobicContact CB-CD1 4.31Å; L117-F171 HydrophobicContact CB-CE1 4.03Å; L117-F171 HydrophobicContact CD1-CE1 4.33Å; L117-F171 HydrophobicContact CD1-CE2 4.48Å; L117-F171 HydrophobicContact CD1-CZ 4.27Å; Y149-F171 HydrophobicContact CD2-CE1 4.29Å; Y149-F171 HydrophobicContact CD2-CZ 4.2Å; Y149-F171 AromaticContact CE2-CE1 3.71Å; Y149-F171 HydrophobicContact CE2-CE1 3.71Å; Y149-F171 HydrophobicContact CE2-CZ 4Å; Y149-F171 AromaticContact CZ-CE1 3.92Å; M169-F171 HydrophobicContact CB-CD2 4.44Å; M169-F171 HydrophobicContact CB-CE2 3.74Å; M169-F171 HydrophobicContact CB-CZ 4.37Å; M169-F171 HydrophobicContact CE-CE2 4.25Å; M169-F171 HydrophobicContact CE-CZ 3.8Å; F171-F222 CarbonylContact O-C 3.58Å; F171-F222 VanDerWaalsContact O-CA 3.23Å; F171-F222 WeakPolarHBondContact O-CA 3.46Å; F171-F222 VanDerWaalsContact O-CB 3.28Å; F171-F222 WeakPolarHBondContact O-CB 3.43Å; F171-I223 PolarHBondContact N-O 2.72Å; F171-I223 PolarHBondContact O-N 3.35Å; F171-Y225 HydrophobicContact CD2-CD2 4.09Å; F171-Y225 HydrophobicContact CE2-CD2 4.24Å
172	G	94.8	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	165.5	177	0	0	0	0	0	111.6	I115 V116	I115-G172 WeakPolarHBondContact CA-O 3.27Å; V116-G172 PolarHBondContact N-O 2.98Å; V116-G172 PolarHBondContact O-N 2.9Å; V116-G172 VanDerWaalsContact O-N 3.08Å
173	S	94.2	Very high	93.6	Very high	8 Å²	8	40.4 Å²	40.4	6%	0.056	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.4	166.6	174.3	0	0	0	0	109.6	D114 Y176	D114-S173 WeakPolarHBondContact O-CA 3.38Å; D114-S173 WeakPolarHBondContact OD1-CB 3.46Å; D114-S173 PolarHBondContact OD1-OG 3.24Å; S173-Y176 WeakPolarHBondContact OG-CB 3.4Å; S173-Y176 PolarHBondContact OG-N 2.64Å
174	W	90.8	Very high	94	Very high	160 Å²	160	42.2 Å²	42.2	61%	0.606	21%	0.213	S	C	*	.	S	Bend	trans	-80.8	-42.8	176.7	-171.5	-106.5	0	0	0	112.3	D114 V116 F118	D114-W174 PolarHBondContact O-N 2.84Å; D114-W174 VanDerWaalsContact O-N 3.15Å; D114-W174 PolarHBondContact OD2-N 3.19Å; V116-W174 HydrophobicContact CG1-CB 4.45Å; V116-W174 HydrophobicContact CG2-CB 3.95Å; V116-W174 HydrophobicContact CG2-CD2 4.33Å; V116-W174 HydrophobicContact CG2-CE3 3.68Å; V116-W174 HydrophobicContact CG2-CG 4.48Å; F118-W174 HydrophobicContact CD1-CE3 4.09Å; F118-W174 HydrophobicContact CD1-CZ3 4.12Å; F118-W174 HydrophobicContact CE1-CE3 4.02Å; F118-W174 HydrophobicContact CE1-CZ3 4.44Å
175	T	91.8	Very high	94.2	Very high	89 Å²	89	38.5 Å²	38.5	55%	0.546	20%	0.202	S	C	.	.	S	Bend	trans	-105.8	-33.8	-171.2	61.8	0	0	0	0	114	D114	D114-T175 VanDerWaalsContact OD2-CB 3.28Å; D114-T175 WeakPolarHBondContact OD2-CB 3.44Å; D114-T175 WeakPolarHBondContact OD2-CG2 3.38Å; D114-T175 PolarHBondContact OD2-N 2.89Å; D114-T175 PolarHBondContact OD2-OG1 3.18Å
176	Y	93.4	Very high	94.2	Very high	46 Å²	46	40.6 Å²	40.6	18%	0.18	21%	0.213	C	C	.	.			trans	-87.7	141.8	-175.2	-58.9	-70.2	0	0	0	111.9	R45 W111 D114 S173 M180 V181	R45-Y176 VanDerWaalsContact CD-CE1 3.49Å; R45-Y176 HydrophobicContact CG-CE1 3.83Å; W111-Y176 HydrophobicContact CZ2-CE2 4.1Å; W111-Y176 PolarHBondContact NE1-OH 3.46Å; D114-Y176 VanDerWaalsContact OD1-CD2 3.26Å; D114-Y176 WeakPolarHBondContact OD1-CD2 3.42Å; S173-Y176 WeakPolarHBondContact OG-CB 3.4Å; S173-Y176 PolarHBondContact OG-N 2.64Å; Y176-M180 HydrophobicContact CD1-CB 4.03Å; Y176-M180 HydrophobicContact CD1-SD 3.83Å; Y176-M180 HydrophobicContact CG-CB 4.42Å; Y176-V181 HydrophobicContact CD1-CG2 4.4Å; Y176-V181 HydrophobicContact CD2-CG2 3.69Å; Y176-V181 HydrophobicContact CE2-CG2 4.48Å; Y176-V181 HydrophobicContact CG-CB 4.44Å; Y176-V181 HydrophobicContact CG-CG2 3.65Å
177	D	93.1	Very high	94.2	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.07	21%	0.213	C	C	.	.			trans	-83.7	174.3	167.9	75	8.4	0	0	0	111.4	T179 M180 V181 Y218 Y220	D177-T179 VanDerWaalsContact CG-OG1 3.29Å; D177-T179 PolarHBondContact O-N 3.01Å; D177-T179 WeakPolarHBondContact OD1-CA 3.47Å; D177-T179 WeakPolarHBondContact OD1-CB 3.33Å; D177-T179 PolarHBondContact OD1-N 3.46Å; D177-T179 PolarHBondContact OD1-OG1 2.86Å; D177-T179 PolarHBondContact OD2-OG1 3.36Å; D177-M180 PolarHBondContact O-N 3.15Å; D177-M180 VanDerWaalsContact O-N 3.08Å; D177-M180 WeakPolarHBondContact OD1-CG 3.24Å; D177-M180 PolarHBondContact OD1-N 3.35Å; D177-V181 PolarHBondContact O-N 3.2Å; D177-Y218 HydrophobicContact CB-CD1 4.47Å; D177-Y218 WeakPolarHBondContact OD2-CD1 3.22Å; D177-Y220 HydrophobicContact CB-CE1 4.22Å
178	G	92.1	Very high	94.1	Very high	20 Å²	20	47.2 Å²	47.2	21%	0.206	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.5	179.9	0	0	0	0	0	114.8	V181 S219	G178-V181 WeakPolarHBondContact CA-O 3.37Å; G178-S219 WeakPolarHBondContact CA-O 3.46Å; G178-S219 PolarHBondContact N-O 3.42Å
179	T	92.2	Very high	94.1	Very high	86 Å²	86	50.1 Å²	50.1	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-28.3	171.2	74.8	0	0	0	0	111	T53 D177	T53-T179 WeakPolarHBondContact CA-O 3.27Å; T53-T179 VanDerWaalsContact CB-O 3.29Å; T53-T179 WeakPolarHBondContact CB-O 3.36Å; T53-T179 WeakPolarHBondContact CG2-O 3.4Å; T53-T179 PolarHBondContact OG1-O 3.29Å; D177-T179 VanDerWaalsContact CG-OG1 3.29Å; D177-T179 PolarHBondContact O-N 3.01Å; D177-T179 WeakPolarHBondContact OD1-CA 3.47Å; D177-T179 WeakPolarHBondContact OD1-CB 3.33Å; D177-T179 PolarHBondContact OD1-N 3.46Å; D177-T179 PolarHBondContact OD1-OG1 2.86Å; D177-T179 PolarHBondContact OD2-OG1 3.36Å
180	M	93.8	Very high	94.1	Very high	73 Å²	73	50.5 Å²	50.5	36%	0.36	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-44.4	178.8	-64.8	-171.2	-164.2	0	0	113	R45 I54 Y176 D177	R45-M180 PolarHBondContact NH1-O 2.94Å; I54-M180 PolarHBondContact N-O 3.06Å; Y176-M180 HydrophobicContact CD1-CB 4.03Å; Y176-M180 HydrophobicContact CD1-SD 3.83Å; Y176-M180 HydrophobicContact CG-CB 4.42Å; D177-M180 PolarHBondContact O-N 3.15Å; D177-M180 VanDerWaalsContact O-N 3.08Å; D177-M180 WeakPolarHBondContact OD1-CG 3.24Å; D177-M180 PolarHBondContact OD1-N 3.35Å
181	V	95.2	Very high	93.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.5	-178.7	175.9	0	0	0	0	109.7	I54 V56 W111 Y176 D177 G178 P221	I54-V181 WeakPolarHBondContact O-CA 3.34Å; V56-V181 HydrophobicContact CG2-CG1 3.92Å; W111-V181 HydrophobicContact CH2-CG2 4.47Å; Y176-V181 HydrophobicContact CD1-CG2 4.4Å; Y176-V181 HydrophobicContact CD2-CG2 3.69Å; Y176-V181 HydrophobicContact CE2-CG2 4.48Å; Y176-V181 HydrophobicContact CG-CB 4.44Å; Y176-V181 HydrophobicContact CG-CG2 3.65Å; D177-V181 PolarHBondContact O-N 3.2Å; G178-V181 WeakPolarHBondContact CA-O 3.37Å; V181-P221 WeakPolarHBondContact O-CG 3.33Å
182	D	95.6	Very high	93.7	Very high	39 Å²	39	54.9 Å²	54.9	21%	0.209	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130	173.9	-173.5	33.7	0	0	0	111	T53 I54 K55 V56 K210	T53-D182 HydrophobicContact CG2-CB 3.78Å; I54-D182 PolarHBondContact O-N 3.5Å; K55-D182 WeakPolarHBondContact CA-O 3.49Å; V56-D182 PolarHBondContact N-O 3.15Å; D182-K210 VanDerWaalsContact CG-NZ 3.3Å; D182-K210 IonicContact OD1-NZ 2.65Å; D182-K210 PolarHBondContact OD1-NZ 2.97Å; D182-K210 IonicContact OD2-NZ 3.76Å; D182-K210 PolarHBondContact OD2-NZ 2.73Å; D182-K210 VanDerWaalsContact OD2-NZ 3.14Å
183	L	96.2	Very high	93.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.6	178.7	-70	169.7	0	0	0	110.6	V56 F58 I115 K210 I223	V56-L183 HydrophobicContact CB-CD2 3.97Å; V56-L183 HydrophobicContact CG1-CD2 4.07Å; V56-L183 WeakPolarHBondContact O-CA 3.22Å; F58-L183 HydrophobicContact CB-CD2 4.41Å; I115-L183 HydrophobicContact CD1-CD1 4.31Å; I115-L183 HydrophobicContact CD1-CD2 3.66Å; I115-L183 HydrophobicContact CD1-CG 4.43Å; I115-L183 HydrophobicContact CG1-CD2 4.35Å; L183-K210 WeakPolarHBondContact O-CD 3.42Å; L183-K210 WeakPolarHBondContact O-CE 3.36Å; L183-K210 PolarHBondContact O-NZ 3.42Å; L183-I223 HydrophobicContact CB-CD1 3.89Å; L183-I223 HydrophobicContact CB-CG1 4.28Å
184	I	96.3	Very high	93.3	Very high	42 Å²	42	67.5 Å²	67.5	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.2	179	-55.6	-178.9	0	0	0	108.7	K55 V56 Y57 F58 I186	K55-I184 HydrophobicContact CB-CD1 3.87Å; K55-I184 HydrophobicContact CD-CD1 3.77Å; K55-I184 HydrophobicContact CG-CD1 3.88Å; V56-I184 PolarHBondContact O-N 3.07Å; Y57-I184 CarbonylContact C-O 3.53Å; Y57-I184 WeakPolarHBondContact CA-O 3.29Å; Y57-I184 HydrophobicContact CD1-CB 3.88Å; Y57-I184 HydrophobicContact CD1-CG2 3.78Å; Y57-I184 HydrophobicContact CE1-CB 4.09Å; Y57-I184 HydrophobicContact CE1-CD1 4.05Å; Y57-I184 HydrophobicContact CE1-CG2 3.77Å; F58-I184 PolarHBondContact N-O 3.46Å; I184-I186 PolarHBondContact O-N 3.25Å
185	L	95.8	Very high	93.4	Very high	36 Å²	36	62.5 Å²	62.5	19%	0.188	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.6	178.5	-161.3	74.6	0	0	0	109.8	N187 E188 G208 I223 Y225	L185-N187 WeakPolarHBondContact CD2-O 3.31Å; L185-N187 WeakPolarHBondContact CG-O 3.34Å; L185-E188 HydrophobicContact CD2-CB 4.42Å; L185-E188 HydrophobicContact CD2-CG 4.07Å; L185-G208 WeakPolarHBondContact CD2-O 3.4Å; L185-I223 HydrophobicContact CB-CD1 4.47Å; L185-I223 HydrophobicContact CD1-CB 4.44Å; L185-I223 HydrophobicContact CD1-CD1 3.91Å; L185-I223 HydrophobicContact CD1-CG1 4.21Å; L185-I223 HydrophobicContact CD1-CG2 3.41Å; L185-I223 VanDerWaalsContact CD1-CG2 3.41Å; L185-Y225 HydrophobicContact CD1-CE1 4.28Å; L185-Y225 HydrophobicContact CD1-CE2 4.48Å; L185-Y225 WeakPolarHBondContact CD1-OH 3.37Å
186	I	94.6	Very high	93.4	Very high	50 Å²	50	64.7 Å²	64.7	26%	0.256	32%	0.321	S	S	.	.	S	Bend	trans	-69.7	-48.1	176	-65.8	172.4	0	0	0	110.4	F58 K82 I184	F58-I186 PolarHBondContact O-N 2.88Å; K82-I186 HydrophobicContact CB-CD1 4.49Å; K82-I186 HydrophobicContact CD-CD1 3.9Å; K82-I186 HydrophobicContact CG-CD1 4.02Å; I184-I186 PolarHBondContact O-N 3.25Å
187	N	92.8	Very high	93.1	Very high	106 Å²	106	66.8 Å²	66.8	57%	0.567	34%	0.335	S	S	*	.			trans	-141.9	141.5	-179.6	-71.1	-43.6	0	0	0	109.7	L185	L185-N187 WeakPolarHBondContact CD2-O 3.31Å; L185-N187 WeakPolarHBondContact CG-O 3.34Å
188	E	93.4	Very high	92.8	Very high	136 Å²	136	68.3 Å²	68.3	64%	0.636	34%	0.343	S	S	*	.	S	Bend	trans	-67.8	-37.8	173.9	-68.3	-176.4	-176.4	0	0	112.6	L185 K207 G208	L185-E188 HydrophobicContact CD2-CB 4.42Å; L185-E188 HydrophobicContact CD2-CG 4.07Å; E188-K207 CarbonylContact O-C 3.45Å; E188-K207 VanDerWaalsContact O-CA 3.31Å; E188-K207 WeakPolarHBondContact O-CA 3.25Å; E188-G208 PolarHBondContact O-N 3Å
189	N	94.8	Very high	92.6	Very high	101 Å²	101	69.8 Å²	69.8	54%	0.54	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-87.8	134	179.1	-63.4	-38.1	0	0	0	110.3	D191	N189-D191 PolarHBondContact O-N 3.28Å
190	V	94	Very high	92.5	Very high	9 Å²	9	68.5 Å²	68.5	6%	0.055	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-63.9	133.2	172.6	177.9	0	0	0	0	109.1	L60 I62 R192 A206 Y225 F227	L60-V190 HydrophobicContact CD2-CG2 4.45Å; I62-V190 HydrophobicContact CB-CG1 4.25Å; I62-V190 HydrophobicContact CG2-CG1 3.97Å; V190-R192 PolarHBondContact O-N 3.19Å; V190-A206 HydrophobicContact CB-CB 3.81Å; V190-A206 HydrophobicContact CG2-CB 3.82Å; V190-A206 PolarHBondContact N-O 3.29Å; V190-Y225 HydrophobicContact CG2-CD1 3.31Å; V190-Y225 HydrophobicContact CG2-CE1 3.73Å; V190-Y225 HydrophobicContact CG2-CG 4.21Å; V190-F227 HydrophobicContact CG1-CE1 4.33Å; V190-F227 HydrophobicContact CG2-CE1 4.35Å; V190-F227 HydrophobicContact CG2-CZ 4.28Å
191	D	91.9	Very high	92.4	Very high	52 Å²	52	65 Å²	65	28%	0.278	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-71.3	125.6	175.6	-174.8	1.4	0	0	0	109.9	L60 K61 I62 N189 K193	L60-D191 PolarHBondContact O-N 3.44Å; K61-D191 WeakPolarHBondContact CA-O 3.3Å; K61-D191 HydrophobicContact CB-CB 3.98Å; K61-D191 HydrophobicContact CD-CB 4.37Å; K61-D191 HydrophobicContact CG-CB 3.93Å; I62-D191 PolarHBondContact N-O 2.94Å; N189-D191 PolarHBondContact O-N 3.28Å; D191-K193 WeakPolarHBondContact OD1-CB 3.4Å; D191-K193 VanDerWaalsContact OD1-CG 3.23Å; D191-K193 WeakPolarHBondContact OD1-CG 3.41Å; D191-K193 PolarHBondContact OD1-N 3.48Å
192	R	91.8	Very high	92.3	Very high	84 Å²	84	68.4 Å²	68.4	32%	0.317	35%	0.345	S	S	.	.			trans	-120.2	12.3	-178.7	-54.1	-177.5	-171.4	179.5	-1.3	113	I62 V190 D194 F195 I203 N205	I62-R192 HydrophobicContact CG2-CG 3.99Å; V190-R192 PolarHBondContact O-N 3.19Å; R192-D194 PolarHBondContact O-N 3.44Å; R192-F195 HydrophobicContact CB-CB 4.13Å; R192-F195 WeakPolarHBondContact O-CB 3.19Å; R192-F195 PolarHBondContact O-N 2.97Å; R192-F195 VanDerWaalsContact O-N 3.09Å; R192-I203 PolarHBondContact NH1-O 3.46Å; R192-I203 VanDerWaalsContact NH2-CG2 3.27Å; R192-N205 VanDerWaalsContact NH2-CA 3.33Å
193	K	89.4	Confident	92.2	Very high	177 Å²	177	67.1 Å²	67.1	77%	0.77	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.9	-174.6	-75.2	172.5	-178.9	-179.6	0	113.9	D191	D191-K193 WeakPolarHBondContact OD1-CB 3.4Å; D191-K193 VanDerWaalsContact OD1-CG 3.23Å; D191-K193 WeakPolarHBondContact OD1-CG 3.41Å; D191-K193 PolarHBondContact OD1-N 3.48Å
194	D	89.6	Confident	92	Very high	97 Å²	97	69.9 Å²	69.9	52%	0.519	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	28.6	179.7	-54.7	-13.5	0	0	0	111.2	K61 R192 F196	K61-D194 VanDerWaalsContact CE-OD2 3.26Å; K61-D194 WeakPolarHBondContact CE-OD2 3.4Å; K61-D194 VanDerWaalsContact NZ-CG 3.27Å; K61-D194 IonicContact NZ-OD1 2.99Å; K61-D194 IonicContact NZ-OD2 3.36Å; K61-D194 PolarHBondContact NZ-OD2 2.98Å; R192-D194 PolarHBondContact O-N 3.44Å; D194-F196 PolarHBondContact O-N 3.41Å
195	F	92.9	Very high	91.9	Very high	55 Å²	55	70.9 Å²	70.9	24%	0.241	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-74.4	125.1	179.3	177	-106.9	0	0	0	110.8	I62 S63 L65 R192 D197 I203	I62-F195 HydrophobicContact CD1-CD2 4.43Å; I62-F195 HydrophobicContact CD1-CE2 4.24Å; I62-F195 HydrophobicContact CG1-CD2 4.17Å; I62-F195 HydrophobicContact CG1-CE2 4.41Å; I62-F195 HydrophobicContact CG2-CD2 4.02Å; S63-F195 WeakPolarHBondContact O-CA 3.39Å; L65-F195 HydrophobicContact CB-CE2 4.24Å; R192-F195 HydrophobicContact CB-CB 4.13Å; R192-F195 WeakPolarHBondContact O-CB 3.19Å; R192-F195 PolarHBondContact O-N 2.97Å; R192-F195 VanDerWaalsContact O-N 3.09Å; F195-D197 HydrophobicContact CE1-CB 4.14Å; F195-I203 HydrophobicContact CD2-CD1 4.17Å; F195-I203 HydrophobicContact CE1-CD1 4.4Å; F195-I203 HydrophobicContact CE2-CD1 3.49Å; F195-I203 VanDerWaalsContact CE2-CD1 3.49Å; F195-I203 HydrophobicContact CE2-CG1 4.4Å; F195-I203 HydrophobicContact CZ-CD1 3.63Å; F195-I203 HydrophobicContact CZ-CG1 4.05Å
196	F	92.1	Very high	91.8	Very high	135 Å²	135	69.3 Å²	69.3	59%	0.592	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-94.5	119.8	170.1	-174.3	-94.8	0	0	0	110	S63 Q64 D194	S63-F196 PolarHBondContact O-N 2.98Å; Q64-F196 HydrophobicContact CG-CD1 4.44Å; D194-F196 PolarHBondContact O-N 3.41Å
197	D	88.4	Confident	91.9	Very high	89 Å²	89	71.4 Å²	71.4	48%	0.476	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-76.2	129.3	178.4	-167.4	-17.2	0	0	0	110.7	F195 G199	F195-D197 HydrophobicContact CE1-CB 4.14Å; D197-G199 PolarHBondContact OD1-N 2.99Å
198	N	85.8	Confident	92	Very high	45 Å²	45	66.5 Å²	66.5	24%	0.241	33%	0.332	C	S	.	.			trans	-86.8	-8.1	178.4	71.2	-5.5	0	0	0	113.1	L65 E200 W201	L65-N198 PolarHBondContact O-ND2 3.23Å; N198-E200 PolarHBondContact O-N 3.41Å; N198-E200 PolarHBondContact OD1-N 3.41Å; N198-E200 VanDerWaalsContact OD1-N 3.16Å; N198-W201 PolarHBondContact OD1-N 2.94Å; N198-W201 VanDerWaalsContact OD1-N 3.11Å
199	G	87.3	Confident	92.2	Very high	51 Å²	51	65.7 Å²	65.7	53%	0.526	33%	0.33	S	S	.	.	S	Bend	trans	74.6	6.9	177	0	0	0	0	0	115	D197 L232	D197-G199 PolarHBondContact OD1-N 2.99Å; G199-L232 WeakPolarHBondContact O-CD1 3.49Å
200	E	89.9	Confident	92.2	Very high	59 Å²	59	65.8 Å²	65.8	28%	0.276	33%	0.326	S	S	.	.	S	Bend	trans	-112.3	-38.7	175.7	-170.3	-171.6	155.9	0	0	111.6	N198 R231 L232	N198-E200 PolarHBondContact O-N 3.41Å; N198-E200 PolarHBondContact OD1-N 3.41Å; N198-E200 VanDerWaalsContact OD1-N 3.16Å; E200-R231 IonicContact OE1-NH1 2.93Å; E200-R231 PolarHBondContact OE1-NH1 2.83Å; E200-L232 WeakPolarHBondContact O-CB 3.36Å; E200-L232 PolarHBondContact O-N 3.41Å
201	W	93	Very high	92.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.1	-173.2	-71.2	95.1	0	0	0	111.5	L65 V68 Q165 N198 L229 R231	L65-W201 HydrophobicContact CD2-CB 3.59Å; L65-W201 HydrophobicContact CD2-CG 4.2Å; V68-W201 HydrophobicContact CB-CZ2 3.89Å; V68-W201 HydrophobicContact CG1-CH2 4.35Å; V68-W201 HydrophobicContact CG1-CZ2 3.84Å; V68-W201 HydrophobicContact CG2-CD2 4.27Å; V68-W201 HydrophobicContact CG2-CG 4.29Å; V68-W201 HydrophobicContact CG2-CZ2 4.45Å; Q165-W201 HydrophobicContact CB-CZ3 4.47Å; Q165-W201 HydrophobicContact CG-CH2 3.71Å; Q165-W201 HydrophobicContact CG-CZ3 3.88Å; N198-W201 PolarHBondContact OD1-N 2.94Å; N198-W201 VanDerWaalsContact OD1-N 3.11Å; W201-L229 HydrophobicContact CE3-CB 3.83Å; W201-L229 HydrophobicContact CZ3-CB 4.16Å; W201-R231 HydrophobicContact CE3-CB 4.05Å; W201-R231 HydrophobicContact CH2-CB 4.14Å; W201-R231 VanDerWaalsContact CH2-CZ 3.48Å; W201-R231 HydrophobicContact CZ3-CB 3.83Å
202	E	92.6	Very high	92.3	Very high	72 Å²	72	68 Å²	68	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129	174.8	-173.9	-172.9	-179.9	0	0	110.5	L204 L229 R230	E202-L204 HydrophobicContact CG-CD2 4.39Å; E202-L204 PolarHBondContact O-N 3.45Å; E202-L229 CarbonylContact O-C 3.56Å; E202-L229 WeakPolarHBondContact O-CA 3.3Å; E202-R230 VanDerWaalsContact CD-NH2 3.32Å; E202-R230 PolarHBondContact N-O 3.46Å; E202-R230 PolarHBondContact O-N 2.56Å; E202-R230 IonicContact OE1-NH2 2.58Å; E202-R230 PolarHBondContact OE1-NH2 3.43Å; E202-R230 IonicContact OE2-CZ 2.64Å; E202-R230 IonicContact OE2-NE 3.22Å; E202-R230 PolarHBondContact OE2-NE 2.87Å; E202-R230 IonicContact OE2-NH2 2.72Å; E202-R230 PolarHBondContact OE2-NH2 3.43Å
203	I	93.6	Very high	92.4	Very high	12 Å²	12	70.8 Å²	70.8	6%	0.062	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	99.1	176	-47.5	-178.1	0	0	0	109.4	I62 R192 F195 A206 F227 L229	I62-I203 HydrophobicContact CD1-CD1 3.79Å; R192-I203 PolarHBondContact NH1-O 3.46Å; R192-I203 VanDerWaalsContact NH2-CG2 3.27Å; F195-I203 HydrophobicContact CD2-CD1 4.17Å; F195-I203 HydrophobicContact CE1-CD1 4.4Å; F195-I203 HydrophobicContact CE2-CD1 3.49Å; F195-I203 VanDerWaalsContact CE2-CD1 3.49Å; F195-I203 HydrophobicContact CE2-CG1 4.4Å; F195-I203 HydrophobicContact CZ-CD1 3.63Å; F195-I203 HydrophobicContact CZ-CG1 4.05Å; I203-A206 HydrophobicContact CG2-CB 4.13Å; I203-F227 HydrophobicContact CG2-CD1 4.33Å; I203-L229 HydrophobicContact CB-CD2 4.23Å; I203-L229 HydrophobicContact CG1-CD2 3.78Å; I203-L229 HydrophobicContact CG2-CD2 4.13Å
204	L	92.1	Very high	92.5	Very high	59 Å²	59	72.4 Å²	72.4	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-46.8	178.4	-62.6	-177.7	0	0	0	112	E202 V228 R230	E202-L204 HydrophobicContact CG-CD2 4.39Å; E202-L204 PolarHBondContact O-N 3.45Å; L204-V228 HydrophobicContact CB-CG1 4.3Å; L204-V228 HydrophobicContact CD1-CG1 4.35Å; L204-V228 PolarHBondContact N-O 3.3Å; L204-R230 HydrophobicContact CD1-CB 3.82Å; L204-R230 HydrophobicContact CD2-CB 4.23Å; L204-R230 HydrophobicContact CG-CB 3.87Å
205	N	93.4	Very high	92.4	Very high	64 Å²	64	71.8 Å²	71.8	34%	0.342	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.1	-175.9	-168.5	17.4	0	0	0	110.6	R192 K207 V228	R192-N205 VanDerWaalsContact NH2-CA 3.33Å; N205-K207 WeakPolarHBondContact OD1-CE 3.25Å; N205-K207 WeakPolarHBondContact OD1-CG 3.49Å; N205-V228 HydrophobicContact CB-CB 4.07Å; N205-V228 HydrophobicContact CB-CG2 4.14Å; N205-V228 PolarHBondContact N-O 2.98Å; N205-V228 PolarHBondContact O-N 3.08Å
206	A	95.3	Very high	92.2	Very high	2 Å²	2	72.9 Å²	72.9	2%	0.017	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	103.3	-179.6	0	0	0	0	0	109	V190 I203 S226 F227	V190-A206 HydrophobicContact CB-CB 3.81Å; V190-A206 HydrophobicContact CG2-CB 3.82Å; V190-A206 PolarHBondContact N-O 3.29Å; I203-A206 HydrophobicContact CG2-CB 4.13Å; A206-S226 VanDerWaalsContact CA-O 3.26Å; A206-S226 WeakPolarHBondContact CA-O 3.44Å; A206-F227 HydrophobicContact CB-CD1 3.79Å; A206-F227 HydrophobicContact CB-CE1 3.95Å
207	K	95.9	Very high	91.9	Very high	94 Å²	94	75 Å²	75	41%	0.409	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.2	-173.1	-68.5	-172.6	177.4	-170.3	0	112.1	E188 N205 Y225 S226	E188-K207 CarbonylContact O-C 3.45Å; E188-K207 VanDerWaalsContact O-CA 3.31Å; E188-K207 WeakPolarHBondContact O-CA 3.25Å; N205-K207 WeakPolarHBondContact OD1-CE 3.25Å; N205-K207 WeakPolarHBondContact OD1-CG 3.49Å; K207-Y225 CarbonylContact O-C 3.55Å; K207-Y225 WeakPolarHBondContact O-CA 3.32Å; K207-S226 PolarHBondContact N-O 3.41Å; K207-S226 PolarHBondContact O-N 3.45Å
208	G	96.1	Very high	92	Very high	4 Å²	4	77.2 Å²	77.2	4%	0.041	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.5	172.3	0	0	0	0	0	111.3	L185 E188 T224	L185-G208 WeakPolarHBondContact CD2-O 3.4Å; E188-G208 PolarHBondContact O-N 3Å; G208-T224 CarbonylContact C-O 3.55Å; G208-T224 WeakPolarHBondContact CA-O 3.38Å
209	M	95.9	Very high	92.3	Very high	119 Å²	119	76.7 Å²	76.7	59%	0.586	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.3	172.4	-63.8	-173.9	-64	0	0	109.6	I223 T224	M209-I223 WeakPolarHBondContact O-CA 3.42Å; M209-T224 PolarHBondContact N-O 3.37Å; M209-T224 PolarHBondContact O-N 3.05Å
210	K	95.5	Very high	92.6	Very high	103 Å²	103	77.6 Å²	77.6	45%	0.448	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130	170.7	-175.9	174.5	178.6	163.5	0	109	D182 L183	D182-K210 VanDerWaalsContact CG-NZ 3.3Å; D182-K210 IonicContact OD1-NZ 2.65Å; D182-K210 PolarHBondContact OD1-NZ 2.97Å; D182-K210 IonicContact OD2-NZ 3.76Å; D182-K210 PolarHBondContact OD2-NZ 2.73Å; D182-K210 VanDerWaalsContact OD2-NZ 3.14Å; L183-K210 WeakPolarHBondContact O-CD 3.42Å; L183-K210 WeakPolarHBondContact O-CE 3.36Å; L183-K210 PolarHBondContact O-NZ 3.42Å
211	G	94.7	Very high	92.9	Very high	19 Å²	19	75.3 Å²	75.3	20%	0.196	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	171.3	172.2	0	0	0	0	0	111.1	F222	G211-F222 PolarHBondContact N-O 2.94Å; G211-F222 PolarHBondContact O-N 3.2Å; G211-F222 VanDerWaalsContact O-O 3.07Å
212	N	94.2	Very high	93.1	Very high	88 Å²	88	76.8 Å²	76.8	47%	0.471	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	121.2	179.2	-174	21.5	0	0	0	109.8	S219 Y220	N212-S219 PolarHBondContact ND2-OG 3.4Å; N212-S219 PolarHBondContact OD1-OG 3.26Å; N212-Y220 PolarHBondContact OD1-N 3.12Å; N212-Y220 PolarHBondContact OD1-O 3.36Å
213	R	92.2	Very high	93.3	Very high	142 Å²	142	73.4 Å²	73.4	54%	0.536	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123	175	174.6	-178.5	166	177.4	-6.9	108	D215 Y220 F222	R213-D215 IonicContact CZ-OD2 3.83Å; R213-D215 IonicContact NE-OD2 3.71Å; R213-D215 IonicContact NH2-OD2 3.11Å; R213-D215 PolarHBondContact NH2-OD2 3.46Å; R213-Y220 PolarHBondContact N-O 3.1Å; R213-Y220 PolarHBondContact O-N 2.63Å; R213-F222 HydrophobicContact CB-CD1 4.19Å; R213-F222 HydrophobicContact CB-CE1 3.93Å
214	R	91.6	Very high	93.4	Very high	212 Å²	212	73.9 Å²	73.9	80%	0.8	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.8	171.4	-67.8	-172.7	-70.8	-175.7	-1.6	109.7	Y218	R214-Y218 WeakPolarHBondContact CA-O 3.4Å
215	D	88.4	Confident	93.7	Very high	84 Å²	84	71.1 Å²	71.1	45%	0.449	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	96.3	175.2	-149.8	-27.9	0	0	0	108.4	R213 M217 Y218 Y220	R213-D215 IonicContact CZ-OD2 3.83Å; R213-D215 IonicContact NE-OD2 3.71Å; R213-D215 IonicContact NH2-OD2 3.11Å; R213-D215 PolarHBondContact NH2-OD2 3.46Å; D215-M217 PolarHBondContact O-N 2.93Å; D215-Y218 PolarHBondContact N-O 3.16Å; D215-Y218 PolarHBondContact O-N 3.2Å; D215-Y218 VanDerWaalsContact O-N 3.1Å; D215-Y220 HydrophobicContact CB-CD2 4.33Å; D215-Y220 HydrophobicContact CB-CE2 4.05Å
216	G	88.7	Confident	93.8	Very high	77 Å²	77	69.5 Å²	69.5	79%	0.794	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-118.5	-168.9	0	0	0	0	0	112.5
217	M	86.1	Confident	93.8	Very high	181 Å²	181	69.5 Å²	69.5	89%	0.892	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-18.7	178.6	-168	65.1	78.3	0	0	112.7	D215	D215-M217 PolarHBondContact O-N 2.93Å
218	Y	89.2	Confident	93.8	Very high	135 Å²	135	66.7 Å²	66.7	53%	0.529	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.6	-175.4	-59.3	-73.6	0	0	0	111.5	D177 R214 D215	D177-Y218 HydrophobicContact CB-CD1 4.47Å; D177-Y218 WeakPolarHBondContact OD2-CD1 3.22Å; R214-Y218 WeakPolarHBondContact CA-O 3.4Å; D215-Y218 PolarHBondContact N-O 3.16Å; D215-Y218 PolarHBondContact O-N 3.2Å; D215-Y218 VanDerWaalsContact O-N 3.1Å
219	S	92.9	Very high	93.7	Very high	34 Å²	34	66.6 Å²	66.6	24%	0.238	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.7	-177.1	-167.1	0	0	0	0	108.4	G178 N212 P221	G178-S219 WeakPolarHBondContact CA-O 3.46Å; G178-S219 PolarHBondContact N-O 3.42Å; N212-S219 PolarHBondContact ND2-OG 3.4Å; N212-S219 PolarHBondContact OD1-OG 3.26Å; S219-P221 WeakPolarHBondContact O-CD 3.26Å
220	Y	94.3	Very high	93.5	Very high	69 Å²	69	62 Å²	62	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	99.3	-178.4	-64.1	-84.7	0	0	0	109.6	D177 N212 R213 D215	D177-Y220 HydrophobicContact CB-CE1 4.22Å; N212-Y220 PolarHBondContact OD1-N 3.12Å; N212-Y220 PolarHBondContact OD1-O 3.36Å; R213-Y220 PolarHBondContact N-O 3.1Å; R213-Y220 PolarHBondContact O-N 2.63Å; D215-Y220 HydrophobicContact CB-CD2 4.33Å; D215-Y220 HydrophobicContact CB-CE2 4.05Å
221	P	95.5	Very high	93.3	Very high	12 Å²	12	57.1 Å²	57.1	8%	0.078	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	141.6	176.3	28.8	-32.9	0	0	0	109.8	V181 S219	V181-P221 WeakPolarHBondContact O-CG 3.33Å; S219-P221 WeakPolarHBondContact O-CD 3.26Å
222	F	96.3	Very high	93.2	Very high	31 Å²	31	59.3 Å²	59.3	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.3	175.7	63	-100	0	0	0	110.3	F118 K170 F171 G211 R213 T224	F118-F222 HydrophobicContact CE2-CB 4.17Å; K170-F222 HydrophobicContact CD-CD2 4.02Å; K170-F222 HydrophobicContact CD-CE2 4.18Å; K170-F222 HydrophobicContact CD-CG 4.33Å; K170-F222 VanDerWaalsContact CE-CD1 3.43Å; K170-F222 VanDerWaalsContact CE-CE2 3.45Å; K170-F222 HydrophobicContact CG-CB 4.29Å; K170-F222 HydrophobicContact CG-CD2 3.76Å; K170-F222 HydrophobicContact CG-CE2 4.33Å; K170-F222 HydrophobicContact CG-CG 4.14Å; F171-F222 CarbonylContact O-C 3.58Å; F171-F222 VanDerWaalsContact O-CA 3.23Å; F171-F222 WeakPolarHBondContact O-CA 3.46Å; F171-F222 VanDerWaalsContact O-CB 3.28Å; F171-F222 WeakPolarHBondContact O-CB 3.43Å; G211-F222 PolarHBondContact N-O 2.94Å; G211-F222 PolarHBondContact O-N 3.2Å; G211-F222 VanDerWaalsContact O-O 3.07Å; R213-F222 HydrophobicContact CB-CD1 4.19Å; R213-F222 HydrophobicContact CB-CE1 3.93Å; F222-T224 WeakPolarHBondContact CD2-OG1 3.45Å; F222-T224 WeakPolarHBondContact CE2-OG1 3.49Å
223	I	97.1	Very high	93	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.9	173.2	-70	167.9	0	0	0	108.1	F58 F171 L183 L185 M209 Y225	F58-I223 HydrophobicContact CB-CD1 3.69Å; F58-I223 HydrophobicContact CD1-CB 4.21Å; F58-I223 HydrophobicContact CD1-CD1 3.73Å; F58-I223 HydrophobicContact CD1-CG2 4.17Å; F58-I223 HydrophobicContact CE1-CG2 4.49Å; F58-I223 HydrophobicContact CG-CD1 4.13Å; F171-I223 PolarHBondContact N-O 2.72Å; F171-I223 PolarHBondContact O-N 3.35Å; L183-I223 HydrophobicContact CB-CD1 3.89Å; L183-I223 HydrophobicContact CB-CG1 4.28Å; L185-I223 HydrophobicContact CB-CD1 4.47Å; L185-I223 HydrophobicContact CD1-CB 4.44Å; L185-I223 HydrophobicContact CD1-CD1 3.91Å; L185-I223 HydrophobicContact CD1-CG1 4.21Å; L185-I223 HydrophobicContact CD1-CG2 3.41Å; L185-I223 VanDerWaalsContact CD1-CG2 3.41Å; M209-I223 WeakPolarHBondContact O-CA 3.42Å; I223-Y225 HydrophobicContact CG2-CD2 3.91Å; I223-Y225 HydrophobicContact CG2-CE2 3.48Å; I223-Y225 VanDerWaalsContact CG2-CE2 3.48Å
224	T	96.8	Very high	92.9	Very high	23 Å²	23	55.2 Å²	55.2	14%	0.141	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122	175.7	-61.7	0	0	0	0	109.6	M169 G208 M209 F222	M169-T224 CarbonylContact O-C 3.54Å; M169-T224 WeakPolarHBondContact O-CA 3.5Å; G208-T224 CarbonylContact C-O 3.55Å; G208-T224 WeakPolarHBondContact CA-O 3.38Å; M209-T224 PolarHBondContact N-O 3.37Å; M209-T224 PolarHBondContact O-N 3.05Å; F222-T224 WeakPolarHBondContact CD2-OG1 3.45Å; F222-T224 WeakPolarHBondContact CE2-OG1 3.49Å
225	Y	97	Very high	92.9	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.6	168.8	-73	-80.2	0	0	0	109.9	F58 G59 L60 S168 M169 F171 L185 V190 K207 I223	F58-Y225 AromaticContact CD1-CE2 3.99Å; F58-Y225 HydrophobicContact CD1-CE2 3.99Å; F58-Y225 HydrophobicContact CE1-CD2 4.47Å; F58-Y225 AromaticContact CE1-CE2 3.69Å; F58-Y225 HydrophobicContact CE1-CE2 3.69Å; G59-Y225 WeakPolarHBondContact CA-OH 3.44Å; L60-Y225 HydrophobicContact CB-CD1 4.26Å; L60-Y225 HydrophobicContact CB-CD2 3.89Å; L60-Y225 HydrophobicContact CB-CE1 3.87Å; L60-Y225 HydrophobicContact CB-CE2 3.47Å; L60-Y225 VanDerWaalsContact CB-CE2 3.47Å; L60-Y225 HydrophobicContact CB-CG 4.25Å; L60-Y225 VanDerWaalsContact CB-CZ 3.44Å; L60-Y225 HydrophobicContact CD2-CD1 4.16Å; L60-Y225 HydrophobicContact CD2-CD2 3.63Å; L60-Y225 HydrophobicContact CD2-CE2 4.13Å; L60-Y225 HydrophobicContact CD2-CG 3.63Å; L60-Y225 HydrophobicContact CG-CD2 4.36Å; L60-Y225 HydrophobicContact CG-CE2 4.39Å; L60-Y225 PolarHBondContact N-OH 3.42Å; L60-Y225 VanDerWaalsContact N-OH 3.13Å; S168-Y225 CarbonylContact C-O 3.57Å; S168-Y225 VanDerWaalsContact CA-O 3.31Å; S168-Y225 WeakPolarHBondContact CA-O 3.4Å; M169-Y225 PolarHBondContact N-O 3.26Å; M169-Y225 PolarHBondContact O-N 3.22Å; F171-Y225 HydrophobicContact CD2-CD2 4.09Å; F171-Y225 HydrophobicContact CE2-CD2 4.24Å; L185-Y225 HydrophobicContact CD1-CE1 4.28Å; L185-Y225 HydrophobicContact CD1-CE2 4.48Å; L185-Y225 WeakPolarHBondContact CD1-OH 3.37Å; V190-Y225 HydrophobicContact CG2-CD1 3.31Å; V190-Y225 HydrophobicContact CG2-CE1 3.73Å; V190-Y225 HydrophobicContact CG2-CG 4.21Å; K207-Y225 CarbonylContact O-C 3.55Å; K207-Y225 WeakPolarHBondContact O-CA 3.32Å; I223-Y225 HydrophobicContact CG2-CD2 3.91Å; I223-Y225 HydrophobicContact CG2-CE2 3.48Å; I223-Y225 VanDerWaalsContact CG2-CE2 3.48Å
226	S	96.1	Very high	92.9	Very high	29 Å²	29	48.5 Å²	48.5	20%	0.203	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.8	176.6	-63.8	0	0	0	0	110.4	C167 A206 K207	C167-S226 CarbonylContact O-C 3.5Å; C167-S226 WeakPolarHBondContact O-CA 2.89Å; A206-S226 VanDerWaalsContact CA-O 3.26Å; A206-S226 WeakPolarHBondContact CA-O 3.44Å; K207-S226 PolarHBondContact N-O 3.41Å; K207-S226 PolarHBondContact O-N 3.45Å
227	F	95.7	Very high	92.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.9	177.2	-64.6	-91.3	0	0	0	109.5	L60 I62 M75 N166 C167 M169 V190 I203 A206 L229	L60-F227 HydrophobicContact CD2-CE2 4.16Å; L60-F227 HydrophobicContact CD2-CZ 3.71Å; I62-F227 HydrophobicContact CD1-CE1 4.03Å; M75-F227 HydrophobicContact CE-CD2 4.19Å; N166-F227 WeakPolarHBondContact CA-O 3.26Å; C167-F227 PolarHBondContact N-O 2.91Å; C167-F227 PolarHBondContact O-N 2.92Å; M169-F227 HydrophobicContact CG-CD2 4.44Å; M169-F227 HydrophobicContact CG-CE2 4.06Å; M169-F227 HydrophobicContact SD-CD2 4.42Å; M169-F227 HydrophobicContact SD-CE2 3.66Å; M169-F227 HydrophobicContact SD-CZ 4.3Å; V190-F227 HydrophobicContact CG1-CE1 4.33Å; V190-F227 HydrophobicContact CG2-CE1 4.35Å; V190-F227 HydrophobicContact CG2-CZ 4.28Å; I203-F227 HydrophobicContact CG2-CD1 4.33Å; A206-F227 HydrophobicContact CB-CD1 3.79Å; A206-F227 HydrophobicContact CB-CE1 3.95Å; F227-L229 HydrophobicContact CB-CD2 4.2Å; F227-L229 HydrophobicContact CB-CG 4.42Å
228	V	94.9	Very high	93.1	Very high	36 Å²	36	42 Å²	42	22%	0.218	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.3	171.2	-175.9	0	0	0	0	107.7	Q165 L204 N205	Q165-V228 CarbonylContact O-C 3.6Å; Q165-V228 WeakPolarHBondContact O-CA 3.47Å; L204-V228 HydrophobicContact CB-CG1 4.3Å; L204-V228 HydrophobicContact CD1-CG1 4.35Å; L204-V228 PolarHBondContact N-O 3.3Å; N205-V228 HydrophobicContact CB-CB 4.07Å; N205-V228 HydrophobicContact CB-CG2 4.14Å; N205-V228 PolarHBondContact N-O 2.98Å; N205-V228 PolarHBondContact O-N 3.08Å
229	L	94	Very high	93	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.9	-175.5	-52.6	177.7	0	0	0	110.1	L65 V68 M75 R164 Q165 W201 E202 I203 F227	L65-L229 HydrophobicContact CD2-CD1 4.1Å; L65-L229 HydrophobicContact CD2-CD2 3.99Å; V68-L229 HydrophobicContact CG2-CD1 4.02Å; M75-L229 HydrophobicContact SD-CD1 4.09Å; R164-L229 CarbonylContact C-O 3.53Å; R164-L229 VanDerWaalsContact CA-O 3.26Å; R164-L229 WeakPolarHBondContact CA-O 3.43Å; Q165-L229 HydrophobicContact CB-CB 4.42Å; Q165-L229 PolarHBondContact N-O 2.96Å; Q165-L229 PolarHBondContact O-N 3.39Å; W201-L229 HydrophobicContact CE3-CB 3.83Å; W201-L229 HydrophobicContact CZ3-CB 4.16Å; E202-L229 CarbonylContact O-C 3.56Å; E202-L229 WeakPolarHBondContact O-CA 3.3Å; I203-L229 HydrophobicContact CB-CD2 4.23Å; I203-L229 HydrophobicContact CG1-CD2 3.78Å; I203-L229 HydrophobicContact CG2-CD2 4.13Å; F227-L229 HydrophobicContact CB-CD2 4.2Å; F227-L229 HydrophobicContact CB-CG 4.42Å
230	R	92.4	Very high	92.7	Very high	22 Å²	22	40.6 Å²	40.6	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.4	173.4	172.9	170.5	70.6	-178.4	2.6	109.4	E202 L204 S456	E202-R230 VanDerWaalsContact CD-NH2 3.32Å; E202-R230 PolarHBondContact N-O 3.46Å; E202-R230 PolarHBondContact O-N 2.56Å; E202-R230 IonicContact OE1-NH2 2.58Å; E202-R230 PolarHBondContact OE1-NH2 3.43Å; E202-R230 IonicContact OE2-CZ 2.64Å; E202-R230 IonicContact OE2-NE 3.22Å; E202-R230 PolarHBondContact OE2-NE 2.87Å; E202-R230 IonicContact OE2-NH2 2.72Å; E202-R230 PolarHBondContact OE2-NH2 3.43Å; L204-R230 HydrophobicContact CD1-CB 3.82Å; L204-R230 HydrophobicContact CD2-CB 4.23Å; L204-R230 HydrophobicContact CG-CB 3.87Å; R230-S456 PolarHBondContact NH1-O 3.49Å
231	R	92.1	Very high	92.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.7	176.2	-166.9	-173.5	-55.6	-89.1	1.1	111.6	E70 D163 E200 W201 P233	E70-R231 IonicContact OE1-CZ 3.17Å; E70-R231 IonicContact OE1-NH1 3.19Å; E70-R231 PolarHBondContact OE1-NH1 2.98Å; E70-R231 IonicContact OE1-NH2 3.92Å; E70-R231 PolarHBondContact OE1-NH2 2.97Å; D163-R231 PolarHBondContact O-N 3.21Å; D163-R231 IonicContact OD1-CZ 3.27Å; D163-R231 IonicContact OD1-NE 2.93Å; D163-R231 PolarHBondContact OD1-NE 3.24Å; D163-R231 IonicContact OD1-NH2 3.91Å; D163-R231 IonicContact OD2-CZ 3.26Å; D163-R231 IonicContact OD2-NE 2.63Å; D163-R231 IonicContact OD2-NH2 3.78Å; D163-R231 PolarHBondContact OD2-NH2 3.49Å; E200-R231 IonicContact OE1-NH1 2.93Å; E200-R231 PolarHBondContact OE1-NH1 2.83Å; W201-R231 HydrophobicContact CE3-CB 4.05Å; W201-R231 HydrophobicContact CH2-CB 4.14Å; W201-R231 VanDerWaalsContact CH2-CZ 3.48Å; W201-R231 HydrophobicContact CZ3-CB 3.83Å; R231-P233 WeakPolarHBondContact O-CD 3.33Å
232	L	91.7	Very high	91.9	Very high	64 Å²	64	41.8 Å²	41.8	34%	0.335	21%	0.211	S	C	.	.			trans	-86.9	108.9	166.7	-64.5	174.2	0	0	0	109.4	G199 E200 L234	G199-L232 WeakPolarHBondContact O-CD1 3.49Å; E200-L232 WeakPolarHBondContact O-CB 3.36Å; E200-L232 PolarHBondContact O-N 3.41Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.37Å
233	P	90.8	Very high	91.6	Very high	20 Å²	20	42.2 Å²	42.2	13%	0.13	22%	0.217	C	C	.	.			trans	-84	-1.8	-162.3	33.6	-38.4	0	0	0	114.9	P161 F162 R231 F235 Y236 T237	P161-P233 HydrophobicContact CB-CB 4.31Å; P161-P233 HydrophobicContact CG-CB 4.07Å; F162-P233 HydrophobicContact CD1-CB 3.7Å; F162-P233 HydrophobicContact CD1-CG 3.8Å; F162-P233 HydrophobicContact CE1-CB 3.59Å; F162-P233 HydrophobicContact CE1-CG 3.67Å; F162-P233 HydrophobicContact CZ-CB 4.42Å; R231-P233 WeakPolarHBondContact O-CD 3.33Å; P233-F235 PolarHBondContact O-N 3.08Å; P233-Y236 PolarHBondContact O-N 3.44Å; P233-T237 WeakPolarHBondContact O-CB 3.27Å; P233-T237 PolarHBondContact O-N 3.14Å; P233-T237 PolarHBondContact O-OG1 2.88Å
234	L	90.1	Very high	91	Very high	125 Å²	125	42.2 Å²	42.2	65%	0.654	22%	0.217	S	C	*	.	H	α-helix	trans	-58.6	-47.3	-166.7	-175.6	70.1	0	0	0	112.5	L232 T237 L238	L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.37Å; L234-T237 PolarHBondContact O-N 3.12Å; L234-L238 HydrophobicContact CD1-CD1 4.25Å; L234-L238 HydrophobicContact CD1-CG 4.45Å; L234-L238 HydrophobicContact CG-CD1 4.19Å; L234-L238 WeakPolarHBondContact O-CG 3.42Å; L234-L238 PolarHBondContact O-N 2.74Å
235	F	90.6	Very high	90.6	Very high	126 Å²	126	44.5 Å²	44.5	55%	0.553	23%	0.228	S	C	*	.	H	α-helix	trans	-57.4	-54.3	179.9	176.9	-97.4	0	0	0	111.5	P233 T237 L238 F239	P233-F235 PolarHBondContact O-N 3.08Å; F235-T237 VanDerWaalsContact C-N 3.31Å; F235-T237 PolarHBondContact O-N 3.35Å; F235-L238 PolarHBondContact O-N 3.3Å; F235-F239 AromaticContact CD2-CD2 3.6Å; F235-F239 HydrophobicContact CD2-CD2 3.6Å; F235-F239 AromaticContact CD2-CE2 3.76Å; F235-F239 HydrophobicContact CD2-CE2 3.76Å; F235-F239 AromaticContact CE2-CD2 3.6Å; F235-F239 HydrophobicContact CE2-CD2 3.6Å; F235-F239 AromaticContact CE2-CE2 3.82Å; F235-F239 HydrophobicContact CE2-CE2 3.82Å; F235-F239 HydrophobicContact CG-CD2 4.18Å; F235-F239 HydrophobicContact CZ-CD2 4.19Å; F235-F239 VanDerWaalsContact O-CD2 3.27Å; F235-F239 WeakPolarHBondContact O-CD2 3.37Å; F235-F239 PolarHBondContact O-N 3.19Å
236	Y	88.8	Confident	90.2	Very high	29 Å²	29	46.2 Å²	46.2	11%	0.114	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-32.4	-179.9	-61.7	-75.2	0	0	0	112.8	F160 P161 P233 L240 I241	F160-Y236 HydrophobicContact CE1-CD1 4.02Å; F160-Y236 HydrophobicContact CE1-CE1 4.48Å; F160-Y236 HydrophobicContact CE1-CG 4.29Å; F160-Y236 HydrophobicContact CE2-CE1 4.44Å; F160-Y236 AromaticContact CZ-CD1 3.55Å; F160-Y236 HydrophobicContact CZ-CD1 3.55Å; F160-Y236 HydrophobicContact CZ-CD2 4.33Å; F160-Y236 AromaticContact CZ-CE1 3.61Å; F160-Y236 HydrophobicContact CZ-CE1 3.61Å; F160-Y236 HydrophobicContact CZ-CE2 4.4Å; F160-Y236 AromaticContact CZ-CG 3.9Å; F160-Y236 HydrophobicContact CZ-CG 3.9Å; P161-Y236 HydrophobicContact CB-CD2 3.98Å; P161-Y236 HydrophobicContact CB-CG 3.97Å; P233-Y236 PolarHBondContact O-N 3.44Å; Y236-L240 HydrophobicContact CD1-CD1 3.71Å; Y236-L240 HydrophobicContact CD1-CG 4.45Å; Y236-L240 WeakPolarHBondContact O-CA 3.28Å; Y236-L240 VanDerWaalsContact O-CB 3.27Å; Y236-L240 WeakPolarHBondContact O-CB 3.49Å; Y236-L240 PolarHBondContact O-N 2.81Å; Y236-I241 PolarHBondContact O-N 3.41Å; Y236-I241 VanDerWaalsContact O-N 3.15Å
237	T	88.3	Confident	89.7	Confident	38 Å²	38	45.5 Å²	45.5	23%	0.233	24%	0.239	C	C	.	.	I	π-helix	trans	-63.9	-46.2	175.6	-56.7	0	0	0	0	111.1	P233 L234 F235 I241 I242	P233-T237 WeakPolarHBondContact O-CB 3.27Å; P233-T237 PolarHBondContact O-N 3.14Å; P233-T237 PolarHBondContact O-OG1 2.88Å; L234-T237 PolarHBondContact O-N 3.12Å; F235-T237 VanDerWaalsContact C-N 3.31Å; F235-T237 PolarHBondContact O-N 3.35Å; T237-I241 HydrophobicContact CG2-CD1 4.43Å; T237-I241 WeakPolarHBondContact O-CB 3.16Å; T237-I241 PolarHBondContact O-N 3.01Å; T237-I242 WeakPolarHBondContact O-CG1 3.44Å; T237-I242 PolarHBondContact O-N 2.96Å
238	L	90.1	Very high	89.3	Confident	83 Å²	83	45.7 Å²	45.7	44%	0.435	24%	0.241	S	C	.	.	I	π-helix	trans	-72.4	-40.4	-177.9	-67.6	177.8	0	0	0	113.1	L234 F235 I242 P243	L234-L238 HydrophobicContact CD1-CD1 4.25Å; L234-L238 HydrophobicContact CD1-CG 4.45Å; L234-L238 HydrophobicContact CG-CD1 4.19Å; L234-L238 WeakPolarHBondContact O-CG 3.42Å; L234-L238 PolarHBondContact O-N 2.74Å; F235-L238 PolarHBondContact O-N 3.3Å; L238-I242 HydrophobicContact CD2-CD1 3.64Å; L238-P243 WeakPolarHBondContact O-CD 3.39Å
239	F	88.1	Confident	89	Confident	124 Å²	124	50 Å²	50	54%	0.544	26%	0.257	S	S	.	.	I	π-helix	trans	-100.2	-18.9	-171.1	-64.3	-66.8	0	0	0	114.8	F235 P243	F235-F239 AromaticContact CD2-CD2 3.6Å; F235-F239 HydrophobicContact CD2-CD2 3.6Å; F235-F239 AromaticContact CD2-CE2 3.76Å; F235-F239 HydrophobicContact CD2-CE2 3.76Å; F235-F239 AromaticContact CE2-CD2 3.6Å; F235-F239 HydrophobicContact CE2-CD2 3.6Å; F235-F239 AromaticContact CE2-CE2 3.82Å; F235-F239 HydrophobicContact CE2-CE2 3.82Å; F235-F239 HydrophobicContact CG-CD2 4.18Å; F235-F239 HydrophobicContact CZ-CD2 4.19Å; F235-F239 VanDerWaalsContact O-CD2 3.27Å; F235-F239 WeakPolarHBondContact O-CD2 3.37Å; F235-F239 PolarHBondContact O-N 3.19Å; F239-P243 WeakPolarHBondContact O-CG 3.44Å
240	L	85.9	Confident	88.8	Confident	16 Å²	16	53 Å²	53	8%	0.084	27%	0.273	C	S	.	.	I	π-helix	trans	-109.8	-53.4	174.4	-59.1	-178.5	0	0	0	112	F160 Y236 C244 I282 I285	F160-L240 HydrophobicContact CE1-CD1 4.19Å; Y236-L240 HydrophobicContact CD1-CD1 3.71Å; Y236-L240 HydrophobicContact CD1-CG 4.45Å; Y236-L240 WeakPolarHBondContact O-CA 3.28Å; Y236-L240 VanDerWaalsContact O-CB 3.27Å; Y236-L240 WeakPolarHBondContact O-CB 3.49Å; Y236-L240 PolarHBondContact O-N 2.81Å; L240-C244 PolarHBondContact O-N 3.09Å; L240-C244 PolarHBondContact O-SG 2.94Å; L240-I282 HydrophobicContact CD1-CG1 4.38Å; L240-I282 HydrophobicContact CD2-CG1 4.38Å; L240-I285 HydrophobicContact CD1-CD1 4.44Å
241	I	85.9	Confident	88.5	Confident	17 Å²	17	52 Å²	52	9%	0.087	27%	0.27	C	S	.	.	I	π-helix	trans	-70	-49.4	-171.8	-57.7	-179.9	0	0	0	111.7	P161 F162 Y236 T237 C244 L245 F446	P161-I241 HydrophobicContact CG-CD1 4.2Å; F162-I241 HydrophobicContact CE2-CD1 3.96Å; F162-I241 HydrophobicContact CZ-CD1 4.21Å; Y236-I241 PolarHBondContact O-N 3.41Å; Y236-I241 VanDerWaalsContact O-N 3.15Å; T237-I241 HydrophobicContact CG2-CD1 4.43Å; T237-I241 WeakPolarHBondContact O-CB 3.16Å; T237-I241 PolarHBondContact O-N 3.01Å; I241-C244 PolarHBondContact O-N 3.36Å; I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; I241-L245 WeakPolarHBondContact O-CG 3.36Å; I241-L245 PolarHBondContact O-N 3.35Å; I241-F446 HydrophobicContact CG2-CE1 4.41Å; I241-F446 HydrophobicContact CG2-CZ 4.32Å
242	I	88.1	Confident	88.5	Confident	89 Å²	89	52.5 Å²	52.5	46%	0.456	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-47.7	-178.1	-69.5	178.7	0	0	0	112.3	T237 L238 C244 L245 G246	T237-I242 WeakPolarHBondContact O-CG1 3.44Å; T237-I242 PolarHBondContact O-N 2.96Å; L238-I242 HydrophobicContact CD2-CD1 3.64Å; I242-C244 VanDerWaalsContact C-N 3.33Å; I242-C244 PolarHBondContact O-N 3.36Å; I242-L245 PolarHBondContact O-N 3.25Å; I242-G246 PolarHBondContact O-N 3.07Å
243	P	89.2	Confident	88.4	Confident	40 Å²	40	52.7 Å²	52.7	26%	0.26	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-39.2	175.3	-28.7	38.2	0	0	0	113.5	L238 F239 L245 G246 L247 F278	L238-P243 WeakPolarHBondContact O-CD 3.39Å; F239-P243 WeakPolarHBondContact O-CG 3.44Å; P243-L245 PolarHBondContact O-N 3.48Å; P243-G246 PolarHBondContact O-N 3.45Å; P243-L247 WeakPolarHBondContact O-CG 3.33Å; P243-L247 PolarHBondContact O-N 3.15Å; P243-F278 HydrophobicContact CB-CE1 4Å; P243-F278 HydrophobicContact CB-CE2 4.42Å; P243-F278 HydrophobicContact CB-CZ 3.73Å
244	C	85.5	Confident	88.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-38	177.7	-66.4	0	0	0	0	112.7	L240 I241 I242 S248 Y299 L300	L240-C244 PolarHBondContact O-N 3.09Å; L240-C244 PolarHBondContact O-SG 2.94Å; I241-C244 PolarHBondContact O-N 3.36Å; I242-C244 VanDerWaalsContact C-N 3.33Å; I242-C244 PolarHBondContact O-N 3.36Å; C244-S248 PolarHBondContact O-N 3.12Å; C244-Y299 HydrophobicContact CB-CE1 4.09Å; C244-L300 HydrophobicContact CB-CD2 4.47Å
245	L	86.9	Confident	88.5	Confident	70 Å²	70	46 Å²	46	37%	0.366	24%	0.237	S	C	.	.	H	α-helix	trans	-67.1	-38.3	171.9	-68.1	172.7	0	0	0	111.8	I241 I242 P243 S248 F249 Y299 F446	I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; I241-L245 WeakPolarHBondContact O-CG 3.36Å; I241-L245 PolarHBondContact O-N 3.35Å; I242-L245 PolarHBondContact O-N 3.25Å; P243-L245 PolarHBondContact O-N 3.48Å; L245-S248 PolarHBondContact O-N 2.92Å; L245-S248 PolarHBondContact O-OG 3.06Å; L245-F249 PolarHBondContact O-N 2.98Å; L245-Y299 HydrophobicContact CD2-CE1 4.48Å; L245-F446 HydrophobicContact CD2-CE2 4.43Å
246	G	89.1	Confident	88.4	Confident	37 Å²	37	46.9 Å²	46.9	38%	0.381	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-44.8	173.9	0	0	0	0	0	112.1	I242 P243 F249 L250	I242-G246 PolarHBondContact O-N 3.07Å; P243-G246 PolarHBondContact O-N 3.45Å; G246-F249 PolarHBondContact O-N 3.39Å; G246-L250 WeakPolarHBondContact O-CG 3.48Å; G246-L250 PolarHBondContact O-N 3.11Å
247	L	86.5	Confident	88.4	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-46.1	176	-72.6	175.7	0	0	0	111.4	P243 F249 L250 T251 L275 F278	P243-L247 WeakPolarHBondContact O-CG 3.33Å; P243-L247 PolarHBondContact O-N 3.15Å; L247-F249 VanDerWaalsContact C-N 3.27Å; L247-F249 PolarHBondContact O-N 3.15Å; L247-L250 HydrophobicContact CD2-CD1 4.42Å; L247-L250 PolarHBondContact O-N 3.03Å; L247-L250 VanDerWaalsContact O-N 3.11Å; L247-T251 WeakPolarHBondContact O-CG2 3.35Å; L247-T251 PolarHBondContact O-N 3.32Å; L247-T251 VanDerWaalsContact O-N 3.15Å; L247-L275 HydrophobicContact CD1-CD1 4.47Å; L247-F278 HydrophobicContact CD1-CD2 3.51Å; L247-F278 HydrophobicContact CD1-CE2 3.82Å; L247-F278 HydrophobicContact CD1-CG 4.43Å
248	S	86.3	Confident	88.4	Confident	7 Å²	7	48.9 Å²	48.9	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-36.3	177.6	76.1	0	0	0	0	112.2	C244 L245 T251 Y299	C244-S248 PolarHBondContact O-N 3.12Å; L245-S248 PolarHBondContact O-N 2.92Å; L245-S248 PolarHBondContact O-OG 3.06Å; S248-T251 PolarHBondContact O-N 3.29Å; S248-T251 PolarHBondContact O-OG1 3.01Å; S248-Y299 WeakPolarHBondContact CB-OH 3.41Å; S248-Y299 PolarHBondContact OG-OH 2.83Å
249	F	88.5	Confident	88.1	Confident	127 Å²	127	45.4 Å²	45.4	56%	0.557	24%	0.235	S	C	*	.	H	α-helix	trans	-65.1	-43.3	172.9	179.3	-102.4	0	0	0	112.8	L245 G246 L247 T251 V252 L253	L245-F249 PolarHBondContact O-N 2.98Å; G246-F249 PolarHBondContact O-N 3.39Å; L247-F249 VanDerWaalsContact C-N 3.27Å; L247-F249 PolarHBondContact O-N 3.15Å; F249-T251 PolarHBondContact O-N 3.25Å; F249-V252 PolarHBondContact O-N 3.03Å; F249-V252 VanDerWaalsContact O-N 3.1Å; F249-L253 PolarHBondContact O-N 2.97Å; F249-L253 VanDerWaalsContact O-N 3.12Å
250	L	89.9	Confident	87.6	Confident	62 Å²	62	43.9 Å²	43.9	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-32.7	177.1	-71.1	175.2	0	0	0	112.3	G246 L247 V252 L253 V254 V271	G246-L250 WeakPolarHBondContact O-CG 3.48Å; G246-L250 PolarHBondContact O-N 3.11Å; L247-L250 HydrophobicContact CD2-CD1 4.42Å; L247-L250 PolarHBondContact O-N 3.03Å; L247-L250 VanDerWaalsContact O-N 3.11Å; L250-V252 VanDerWaalsContact C-N 3.29Å; L250-V252 PolarHBondContact O-N 2.59Å; L250-L253 HydrophobicContact CD2-CD2 4.02Å; L250-L253 WeakPolarHBondContact O-CB 3.49Å; L250-L253 PolarHBondContact O-N 3.21Å; L250-V254 WeakPolarHBondContact O-CG2 3.44Å; L250-V254 PolarHBondContact O-N 3.25Å; L250-V271 HydrophobicContact CB-CG2 3.99Å; L250-V271 HydrophobicContact CD1-CG2 4.47Å
251	T	87.1	Confident	87	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-35.7	176.3	71.2	0	0	0	0	113.4	L247 S248 F249 V271 V307	L247-T251 WeakPolarHBondContact O-CG2 3.35Å; L247-T251 PolarHBondContact O-N 3.32Å; L247-T251 VanDerWaalsContact O-N 3.15Å; S248-T251 PolarHBondContact O-N 3.29Å; S248-T251 PolarHBondContact O-OG1 3.01Å; F249-T251 PolarHBondContact O-N 3.25Å; T251-V271 HydrophobicContact CG2-CG1 3.75Å; T251-V307 HydrophobicContact CG2-CG2 3.34Å
252	V	90.9	Very high	86.6	Confident	11 Å²	11	51.1 Å²	51.1	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-76.3	-36.5	177.8	-179	0	0	0	0	109.9	F249 L250 V254 F255 L431 F434 L435	F249-V252 PolarHBondContact O-N 3.03Å; F249-V252 VanDerWaalsContact O-N 3.1Å; L250-V252 VanDerWaalsContact C-N 3.29Å; L250-V252 PolarHBondContact O-N 2.59Å; V252-V254 PolarHBondContact O-N 3.15Å; V252-F255 PolarHBondContact O-N 2.97Å; V252-F255 VanDerWaalsContact O-N 3.16Å; V252-L431 HydrophobicContact CG1-CG 4.36Å; V252-F434 HydrophobicContact CG2-CB 4.42Å; V252-L435 HydrophobicContact CG1-CB 3.91Å; V252-L435 HydrophobicContact CG1-CD1 4.13Å
253	L	90.5	Very high	86.5	Confident	69 Å²	69	52.1 Å²	52.1	36%	0.361	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-28.3	178.8	-167.4	68.6	0	0	0	112.9	F249 L250 F255 Y256 L257	F249-L253 PolarHBondContact O-N 2.97Å; F249-L253 VanDerWaalsContact O-N 3.12Å; L250-L253 HydrophobicContact CD2-CD2 4.02Å; L250-L253 WeakPolarHBondContact O-CB 3.49Å; L250-L253 PolarHBondContact O-N 3.21Å; L253-F255 PolarHBondContact O-N 3.34Å; L253-Y256 WeakPolarHBondContact O-CB 3.4Å; L253-Y256 PolarHBondContact O-N 3.41Å; L253-L257 PolarHBondContact O-N 3.03Å
254	V	90.9	Very high	86.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.3	175.1	176.2	0	0	0	0	112.3	L250 V252 Y256 L257 K264 L267 T314	L250-V254 WeakPolarHBondContact O-CG2 3.44Å; L250-V254 PolarHBondContact O-N 3.25Å; V252-V254 PolarHBondContact O-N 3.15Å; V254-Y256 VanDerWaalsContact C-N 3.28Å; V254-Y256 PolarHBondContact O-N 2.95Å; V254-L257 PolarHBondContact O-N 2.9Å; V254-K264 HydrophobicContact CG1-CG 3.83Å; V254-K264 WeakPolarHBondContact O-CE 3.26Å; V254-L267 HydrophobicContact CG2-CD2 3.84Å; V254-L267 HydrophobicContact CG2-CG 3.97Å; V254-T314 HydrophobicContact CG1-CG2 3.64Å
255	F	90.6	Very high	86.6	Confident	4 Å²	4	54 Å²	54	2%	0.018	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.5	178.3	-63.6	-67.6	0	0	0	113.9	V252 L253 S310 V313 T314 F430 L431 F434	V252-F255 PolarHBondContact O-N 2.97Å; V252-F255 VanDerWaalsContact O-N 3.16Å; L253-F255 PolarHBondContact O-N 3.34Å; F255-S310 VanDerWaalsContact CE2-OG 3.3Å; F255-S310 WeakPolarHBondContact CE2-OG 3.31Å; F255-S310 VanDerWaalsContact CZ-OG 3.23Å; F255-S310 WeakPolarHBondContact CZ-OG 3.39Å; F255-V313 HydrophobicContact CE1-CB 4.29Å; F255-V313 HydrophobicContact CE1-CG1 3.75Å; F255-V313 HydrophobicContact CZ-CB 4.35Å; F255-V313 HydrophobicContact CZ-CG1 4.16Å; F255-T314 HydrophobicContact CD1-CG2 4.25Å; F255-T314 HydrophobicContact CE1-CG2 3.65Å; F255-T314 HydrophobicContact CZ-CG2 4.13Å; F255-F430 HydrophobicContact CD1-CB 3.97Å; F255-F430 HydrophobicContact CE1-CB 3.92Å; F255-F430 HydrophobicContact CG-CB 4.37Å; F255-F430 HydrophobicContact CZ-CB 4.27Å; F255-L431 HydrophobicContact CB-CB 3.78Å; F255-L431 HydrophobicContact CB-CD1 4.47Å; F255-L431 HydrophobicContact CB-CG 4.35Å; F255-F434 HydrophobicContact CD2-CB 4.39Å; F255-F434 HydrophobicContact CD2-CG 4.3Å; F255-F434 HydrophobicContact CE2-CB 4.14Å; F255-F434 AromaticContact CE2-CD1 3.66Å; F255-F434 HydrophobicContact CE2-CD1 3.66Å; F255-F434 AromaticContact CE2-CD2 3.78Å; F255-F434 HydrophobicContact CE2-CD2 3.78Å; F255-F434 AromaticContact CE2-CE1 3.97Å; F255-F434 HydrophobicContact CE2-CE1 3.97Å; F255-F434 AromaticContact CE2-CE2 3.99Å; F255-F434 HydrophobicContact CE2-CE2 3.99Å; F255-F434 AromaticContact CE2-CG 3.59Å; F255-F434 HydrophobicContact CE2-CG 3.59Å; F255-F434 HydrophobicContact CE2-CZ 4.07Å; F255-F434 HydrophobicContact CZ-CD1 4.32Å; F255-F434 HydrophobicContact CZ-CD2 4.1Å; F255-F434 HydrophobicContact CZ-CE1 4.19Å; F255-F434 AromaticContact CZ-CE2 3.86Å; F255-F434 HydrophobicContact CZ-CE2 3.86Å; F255-F434 HydrophobicContact CZ-CG 4.31Å; F255-F434 AromaticContact CZ-CZ 3.9Å; F255-F434 HydrophobicContact CZ-CZ 3.9Å
256	Y	89.9	Confident	86.7	Confident	143 Å²	143	53.4 Å²	53.4	56%	0.561	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-24.6	173.2	-168.6	-102.4	0	0	0	112	L253 V254 L431	L253-Y256 WeakPolarHBondContact O-CB 3.4Å; L253-Y256 PolarHBondContact O-N 3.41Å; V254-Y256 VanDerWaalsContact C-N 3.28Å; V254-Y256 PolarHBondContact O-N 2.95Å; Y256-L431 HydrophobicContact CD2-CD1 3.95Å; Y256-L431 HydrophobicContact CG-CD1 4.45Å
257	L	89.3	Confident	86.7	Confident	50 Å²	50	54.2 Å²	54.2	26%	0.262	29%	0.287	S	S	.	.	S	Bend	trans	-72.9	130.5	-178.1	-164.4	73.8	0	0	0	111	L253 V254 E263 K264	L253-L257 PolarHBondContact O-N 3.03Å; V254-L257 PolarHBondContact O-N 2.9Å; L257-E263 HydrophobicContact CD2-CB 4.19Å; L257-K264 HydrophobicContact CD2-CB 4.1Å
258	P	87.4	Confident	86.8	Confident	59 Å²	59	53.7 Å²	53.7	38%	0.383	28%	0.284	S	S	.	.			trans	-63.7	145.3	177.4	27.3	-34.3	0	0	0	111.2	D260	P258-D260 PolarHBondContact O-N 3.46Å
259	S	83.3	Confident	86.8	Confident	11 Å²	11	56.3 Å²	56.3	8%	0.077	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.2	-177.9	-59.5	0	0	0	0	113.7	K264	S259-K264 PolarHBondContact OG-NZ 3.24Å
260	D	78.8	Confident	87	Confident	91 Å²	91	53.4 Å²	53.4	49%	0.487	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-26.8	-179.2	-73.4	-54.1	0	0	0	113.1	P258 H321 K420	P258-D260 PolarHBondContact O-N 3.46Å; D260-H321 IonicContact OD1-CE1 3.23Å; D260-H321 PolarHBondContact OD1-CE1 3.47Å; D260-H321 IonicContact OD1-NE2 2.76Å; D260-H321 PolarHBondContact OD1-NE2 3.35Å; D260-K420 IonicContact OD1-NZ 2.75Å; D260-K420 PolarHBondContact OD1-NZ 3.42Å
261	E	72.9	Confident	86.9	Confident	133 Å²	133	50.9 Å²	50.9	62%	0.621	28%	0.282	S	S	*	.	S	Bend	trans	-95.2	-1.3	-169	-64.4	-173.5	169.6	0	0	114.7	E263	E261-E263 PolarHBondContact O-N 3.32Å
262	G	77.7	Confident	87	Confident	53 Å²	53	53 Å²	53	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	68.3	-22	179.6	0	0	0	0	0	115.7	K264 L265	G262-K264 PolarHBondContact O-N 3.24Å; G262-K264 VanDerWaalsContact O-N 3.12Å; G262-L265 PolarHBondContact O-N 3.3Å
263	E	86.3	Confident	87	Confident	110 Å²	110	56.6 Å²	56.6	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-19	-179.2	-68.3	-55.4	145.4	0	0	114.2	L257 E261 L265 S266 L267	L257-E263 HydrophobicContact CD2-CB 4.19Å; E261-E263 PolarHBondContact O-N 3.32Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 3.42Å; E263-S266 WeakPolarHBondContact O-CB 3.43Å; E263-S266 PolarHBondContact O-N 2.76Å; E263-L267 PolarHBondContact O-N 3.16Å
264	K	88.9	Confident	86.9	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-40.9	178.5	-172.8	174.1	-180	176.4	0	113.1	V254 L257 S259 G262 S268 D427	V254-K264 HydrophobicContact CG1-CG 3.83Å; V254-K264 WeakPolarHBondContact O-CE 3.26Å; L257-K264 HydrophobicContact CD2-CB 4.1Å; S259-K264 PolarHBondContact OG-NZ 3.24Å; G262-K264 PolarHBondContact O-N 3.24Å; G262-K264 VanDerWaalsContact O-N 3.12Å; K264-S268 WeakPolarHBondContact O-CB 3.44Å; K264-S268 PolarHBondContact O-N 2.84Å; K264-D427 IonicContact NZ-OD1 3.65Å; K264-D427 PolarHBondContact NZ-OD1 2.9Å; K264-D427 IonicContact NZ-OD2 3.8Å; K264-D427 PolarHBondContact NZ-OD2 3.03Å
265	L	86.7	Confident	86.7	Confident	78 Å²	78	55.4 Å²	55.4	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-71.3	-42.6	178.4	-173.9	65.5	0	0	0	110.9	G262 E263 L267 S268 T269 V315	G262-L265 PolarHBondContact O-N 3.3Å; E263-L265 VanDerWaalsContact C-N 3.29Å; E263-L265 PolarHBondContact O-N 3.42Å; L265-L267 PolarHBondContact O-N 2.82Å; L265-S268 PolarHBondContact O-N 3.19Å; L265-T269 PolarHBondContact O-N 3.12Å; L265-T269 PolarHBondContact O-OG1 2.93Å; L265-T269 VanDerWaalsContact O-OG1 3.1Å; L265-V315 HydrophobicContact CD1-CG2 4.37Å
266	S	89.4	Confident	86.5	Confident	56 Å²	56	58 Å²	58	39%	0.392	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-46.8	178.3	-177.8	0	0	0	0	112.2	E263 T269 S270	E263-S266 WeakPolarHBondContact O-CB 3.43Å; E263-S266 PolarHBondContact O-N 2.76Å; S266-T269 PolarHBondContact O-OG1 3.18Å; S266-S270 WeakPolarHBondContact O-CB 3.32Å; S266-S270 PolarHBondContact O-N 2.96Å; S266-S270 PolarHBondContact O-OG 2.75Å
267	L	89.4	Confident	86.4	Confident	55 Å²	55	55 Å²	55	29%	0.288	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-46.8	175.5	-179.4	63.3	0	0	0	111.4	V254 E263 L265 T269 S270 V271	V254-L267 HydrophobicContact CG2-CD2 3.84Å; V254-L267 HydrophobicContact CG2-CG 3.97Å; E263-L267 PolarHBondContact O-N 3.16Å; L265-L267 PolarHBondContact O-N 2.82Å; L267-T269 PolarHBondContact O-N 2.96Å; L267-S270 PolarHBondContact O-N 3.35Å; L267-V271 HydrophobicContact CD1-CG2 4.37Å; L267-V271 VanDerWaalsContact O-CG2 3.32Å; L267-V271 WeakPolarHBondContact O-CG2 3.35Å; L267-V271 PolarHBondContact O-N 3.01Å
268	S	87.1	Confident	86.2	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-43.4	-178.3	-160.4	0	0	0	0	112.3	K264 L265 L272 I311	K264-S268 WeakPolarHBondContact O-CB 3.44Å; K264-S268 PolarHBondContact O-N 2.84Å; L265-S268 PolarHBondContact O-N 3.19Å; S268-L272 PolarHBondContact O-N 3.1Å; S268-I311 WeakPolarHBondContact OG-CG1 3.5Å
269	T	88.1	Confident	85.9	Confident	61 Å²	61	54.8 Å²	54.8	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-67.9	-38.5	175.6	50.9	0	0	0	0	112.7	L265 S266 L267 V271 L272 V273	L265-T269 PolarHBondContact O-N 3.12Å; L265-T269 PolarHBondContact O-OG1 2.93Å; L265-T269 VanDerWaalsContact O-OG1 3.1Å; S266-T269 PolarHBondContact O-OG1 3.18Å; L267-T269 PolarHBondContact O-N 2.96Å; T269-V271 VanDerWaalsContact C-N 3.34Å; T269-V271 PolarHBondContact O-N 3.28Å; T269-L272 PolarHBondContact O-N 2.91Å; T269-V273 WeakPolarHBondContact O-CG2 3.41Å; T269-V273 PolarHBondContact O-N 3.2Å
270	S	90.9	Very high	86	Confident	67 Å²	67	59.1 Å²	59.1	47%	0.469	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-38.9	179	-60.3	0	0	0	0	111.7	S266 L267 V273 S274	S266-S270 WeakPolarHBondContact O-CB 3.32Å; S266-S270 PolarHBondContact O-N 2.96Å; S266-S270 PolarHBondContact O-OG 2.75Å; L267-S270 PolarHBondContact O-N 3.35Å; S270-V273 PolarHBondContact O-N 2.85Å; S270-S274 WeakPolarHBondContact O-CB 3.43Å; S270-S274 PolarHBondContact O-N 3.41Å
271	V	89.6	Confident	86.4	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.048	33%	0.333	C	S	.	.	H	α-helix	trans	-65.1	-41.6	174.9	173.1	0	0	0	0	111.4	L250 T251 L267 T269 S274 L275 V307	L250-V271 HydrophobicContact CB-CG2 3.99Å; L250-V271 HydrophobicContact CD1-CG2 4.47Å; T251-V271 HydrophobicContact CG2-CG1 3.75Å; L267-V271 HydrophobicContact CD1-CG2 4.37Å; L267-V271 VanDerWaalsContact O-CG2 3.32Å; L267-V271 WeakPolarHBondContact O-CG2 3.35Å; L267-V271 PolarHBondContact O-N 3.01Å; T269-V271 VanDerWaalsContact C-N 3.34Å; T269-V271 PolarHBondContact O-N 3.28Å; V271-S274 PolarHBondContact O-N 3.4Å; V271-L275 WeakPolarHBondContact O-CB 3.47Å; V271-L275 PolarHBondContact O-N 3.15Å; V271-V307 HydrophobicContact CG1-CG2 4.4Å
272	L	87.4	Confident	86.8	Confident	47 Å²	47	51.6 Å²	51.6	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-48	175.3	179.5	67.1	0	0	0	111.8	S268 T269 S274 L275 T276 V307 T308 I311	S268-L272 PolarHBondContact O-N 3.1Å; T269-L272 PolarHBondContact O-N 2.91Å; L272-S274 PolarHBondContact O-N 3.06Å; L272-L275 WeakPolarHBondContact O-CB 3.45Å; L272-L275 PolarHBondContact O-N 3.01Å; L272-T276 WeakPolarHBondContact O-CG2 3.41Å; L272-T276 PolarHBondContact O-N 2.85Å; L272-T276 PolarHBondContact O-OG1 3.37Å; L272-V307 HydrophobicContact CB-CG1 3.81Å; L272-V307 HydrophobicContact CD1-CB 4.44Å; L272-V307 HydrophobicContact CD1-CG1 3.75Å; L272-V307 HydrophobicContact CG-CG1 4.36Å; L272-T308 HydrophobicContact CD1-CG2 4.35Å; L272-I311 HydrophobicContact CB-CD1 4Å; L272-I311 HydrophobicContact CD2-CD1 3.68Å; L272-I311 HydrophobicContact CG-CD1 4.29Å
273	V	90.9	Very high	86.8	Confident	88 Å²	88	55.8 Å²	55.8	53%	0.533	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-46.5	179.1	173.6	0	0	0	0	110.6	T269 S270 L275 T276 V277	T269-V273 WeakPolarHBondContact O-CG2 3.41Å; T269-V273 PolarHBondContact O-N 3.2Å; S270-V273 PolarHBondContact O-N 2.85Å; V273-L275 VanDerWaalsContact C-N 3.31Å; V273-L275 PolarHBondContact O-N 3.49Å; V273-T276 WeakPolarHBondContact CA-OG1 3.36Å; V273-T276 PolarHBondContact O-N 2.83Å; V273-T276 VanDerWaalsContact O-N 3.17Å; V273-T276 PolarHBondContact O-OG1 3.28Å; V273-V277 WeakPolarHBondContact O-CG2 3.42Å; V273-V277 PolarHBondContact O-N 2.97Å
274	S	90	Very high	86.6	Confident	41 Å²	41	57 Å²	57	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-57.7	-44.5	176.9	-176.7	0	0	0	0	111.8	S270 V271 L272 T276 V277 F278	S270-S274 WeakPolarHBondContact O-CB 3.43Å; S270-S274 PolarHBondContact O-N 3.41Å; V271-S274 PolarHBondContact O-N 3.4Å; L272-S274 PolarHBondContact O-N 3.06Å; S274-T276 PolarHBondContact O-N 3.36Å; S274-V277 PolarHBondContact O-N 2.82Å; S274-F278 VanDerWaalsContact O-CD2 3.26Å; S274-F278 WeakPolarHBondContact O-CD2 3.43Å; S274-F278 PolarHBondContact O-N 3.19Å
275	L	86.1	Confident	86.2	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-43.1	176.6	-174.6	74.7	0	0	0	112.4	L247 V271 L272 V273 V277 F278 L279 L300 I303 M304 V307	L247-L275 HydrophobicContact CD1-CD1 4.47Å; V271-L275 WeakPolarHBondContact O-CB 3.47Å; V271-L275 PolarHBondContact O-N 3.15Å; L272-L275 WeakPolarHBondContact O-CB 3.45Å; L272-L275 PolarHBondContact O-N 3.01Å; V273-L275 VanDerWaalsContact C-N 3.31Å; V273-L275 PolarHBondContact O-N 3.49Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 PolarHBondContact O-N 3.09Å; L275-F278 PolarHBondContact O-N 3.22Å; L275-L279 PolarHBondContact O-N 3.3Å; L275-L300 HydrophobicContact CD1-CD2 3.77Å; L275-I303 HydrophobicContact CD1-CB 4.12Å; L275-I303 HydrophobicContact CD1-CG2 3.66Å; L275-I303 HydrophobicContact CD2-CB 4.29Å; L275-I303 HydrophobicContact CD2-CG2 3.73Å; L275-I303 HydrophobicContact CG-CG2 4.35Å; L275-M304 VanDerWaalsContact CD2-CA 3.49Å; L275-M304 HydrophobicContact CD2-CB 3.85Å; L275-M304 HydrophobicContact CD2-CG 4.39Å; L275-V307 HydrophobicContact CD2-CG2 4.13Å
276	T	85.9	Confident	85.9	Confident	57 Å²	57	56.6 Å²	56.6	35%	0.35	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-37.7	177.8	55.9	0	0	0	0	112.4	L272 V273 S274 L279 L280	L272-T276 WeakPolarHBondContact O-CG2 3.41Å; L272-T276 PolarHBondContact O-N 2.85Å; L272-T276 PolarHBondContact O-OG1 3.37Å; V273-T276 WeakPolarHBondContact CA-OG1 3.36Å; V273-T276 PolarHBondContact O-N 2.83Å; V273-T276 VanDerWaalsContact O-N 3.17Å; V273-T276 PolarHBondContact O-OG1 3.28Å; S274-T276 PolarHBondContact O-N 3.36Å; T276-L279 PolarHBondContact O-N 3.45Å; T276-L280 WeakPolarHBondContact O-CG 3.43Å; T276-L280 PolarHBondContact O-N 3Å; T276-L280 VanDerWaalsContact O-N 3.11Å
277	V	89.2	Confident	85.3	Confident	80 Å²	80	54.6 Å²	54.6	49%	0.485	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-44.5	174.7	173.9	0	0	0	0	111	V273 S274 L275 L279 L280 V281	V273-V277 WeakPolarHBondContact O-CG2 3.42Å; V273-V277 PolarHBondContact O-N 2.97Å; S274-V277 PolarHBondContact O-N 2.82Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 PolarHBondContact O-N 3.09Å; V277-L279 VanDerWaalsContact C-N 3.28Å; V277-L279 PolarHBondContact O-N 3.48Å; V277-L280 PolarHBondContact O-N 2.97Å; V277-V281 WeakPolarHBondContact O-CG2 3.4Å; V277-V281 PolarHBondContact O-N 3.46Å; V277-V281 VanDerWaalsContact O-N 3.1Å
278	F	83.9	Confident	84.3	Confident	54 Å²	54	58.2 Å²	58.2	24%	0.237	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-35.3	176.1	-85.8	-72.4	0	0	0	112.9	P243 L247 S274 L275 V281 I282	P243-F278 HydrophobicContact CB-CE1 4Å; P243-F278 HydrophobicContact CB-CE2 4.42Å; P243-F278 HydrophobicContact CB-CZ 3.73Å; L247-F278 HydrophobicContact CD1-CD2 3.51Å; L247-F278 HydrophobicContact CD1-CE2 3.82Å; L247-F278 HydrophobicContact CD1-CG 4.43Å; S274-F278 VanDerWaalsContact O-CD2 3.26Å; S274-F278 WeakPolarHBondContact O-CD2 3.43Å; S274-F278 PolarHBondContact O-N 3.19Å; L275-F278 PolarHBondContact O-N 3.22Å; F278-V281 PolarHBondContact O-N 2.76Å; F278-I282 PolarHBondContact O-N 3.47Å; F278-I282 VanDerWaalsContact O-N 3.15Å
279	L	81.9	Confident	83.5	Confident	52 Å²	52	59.8 Å²	59.8	27%	0.272	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-44.1	174.8	-176.9	66.5	0	0	0	111.6	L275 T276 V277 V281 I282 E283 L300 M304	L275-L279 PolarHBondContact O-N 3.3Å; T276-L279 PolarHBondContact O-N 3.45Å; V277-L279 VanDerWaalsContact C-N 3.28Å; V277-L279 PolarHBondContact O-N 3.48Å; L279-V281 VanDerWaalsContact C-N 3.35Å; L279-V281 PolarHBondContact O-N 3.27Å; L279-I282 PolarHBondContact O-N 2.95Å; L279-E283 PolarHBondContact O-N 3.45Å; L279-L300 HydrophobicContact CD1-CB 4.14Å; L279-L300 HydrophobicContact CD1-CD1 4.12Å; L279-M304 HydrophobicContact CD2-SD 4.3Å
280	L	84.9	Confident	82.4	Confident	102 Å²	102	62.9 Å²	62.9	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-43.1	176.4	-69.1	172.7	0	0	0	111.8	T276 V277 I282 E283 E284	T276-L280 WeakPolarHBondContact O-CG 3.43Å; T276-L280 PolarHBondContact O-N 3Å; T276-L280 VanDerWaalsContact O-N 3.11Å; V277-L280 PolarHBondContact O-N 2.97Å; L280-I282 VanDerWaalsContact C-N 3.27Å; L280-I282 PolarHBondContact O-N 3.5Å; L280-E283 PolarHBondContact O-N 3.17Å; L280-E284 PolarHBondContact O-N 2.99Å
281	V	86.2	Confident	81.5	Confident	57 Å²	57	67.9 Å²	67.9	35%	0.345	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-39.4	176.3	172.3	0	0	0	0	111.5	V277 F278 L279 E284 I285	V277-V281 WeakPolarHBondContact O-CG2 3.4Å; V277-V281 PolarHBondContact O-N 3.46Å; V277-V281 VanDerWaalsContact O-N 3.1Å; F278-V281 PolarHBondContact O-N 2.76Å; L279-V281 VanDerWaalsContact C-N 3.35Å; L279-V281 PolarHBondContact O-N 3.27Å; V281-E284 PolarHBondContact O-N 3.29Å; V281-I285 HydrophobicContact CG1-CD1 4Å; V281-I285 WeakPolarHBondContact O-CG1 3.37Å; V281-I285 PolarHBondContact O-N 2.98Å
282	I	81.6	Confident	80.8	Confident	9 Å²	9	70 Å²	70	5%	0.046	39%	0.392	C	S	.	.	H	α-helix	trans	-73.3	-35.4	-179.9	-80.6	163.6	0	0	0	112.3	L240 F278 L279 L280 E284 I285 I286 I296 L300	L240-I282 HydrophobicContact CD1-CG1 4.38Å; L240-I282 HydrophobicContact CD2-CG1 4.38Å; F278-I282 PolarHBondContact O-N 3.47Å; F278-I282 VanDerWaalsContact O-N 3.15Å; L279-I282 PolarHBondContact O-N 2.95Å; L280-I282 VanDerWaalsContact C-N 3.27Å; L280-I282 PolarHBondContact O-N 3.5Å; I282-E284 PolarHBondContact O-N 3.45Å; I282-I285 PolarHBondContact O-N 2.7Å; I282-I286 HydrophobicContact CG2-CD1 3.69Å; I282-I286 HydrophobicContact CG2-CG1 4.32Å; I282-I286 WeakPolarHBondContact O-CG1 3.41Å; I282-I286 PolarHBondContact O-N 3.02Å; I282-I296 HydrophobicContact CD1-CG1 4.04Å; I282-L300 HydrophobicContact CB-CD1 4.38Å; I282-L300 HydrophobicContact CD1-CD1 3.31Å; I282-L300 HydrophobicContact CG1-CD1 4.41Å; I282-L300 HydrophobicContact CG2-CD1 4.43Å
283	E	77.5	Confident	80.4	Confident	140 Å²	140	73.5 Å²	73.5	65%	0.654	41%	0.409	S	S	*	.	H	α-helix	trans	-62.7	-32	171.2	-173.4	179.8	174.7	0	0	111.9	L279 L280	L279-E283 PolarHBondContact O-N 3.45Å; L280-E283 PolarHBondContact O-N 3.17Å
284	E	83	Confident	80.1	Confident	135 Å²	135	70.1 Å²	70.1	63%	0.631	39%	0.389	S	S	*	.	H	α-helix	trans	-69.6	-34.8	176.7	-75.1	-173	167.7	0	0	113.5	K71 L280 V281 I282	K71-E284 PolarHBondContact NZ-O 2.96Å; L280-E284 PolarHBondContact O-N 2.99Å; V281-E284 PolarHBondContact O-N 3.29Å; I282-E284 PolarHBondContact O-N 3.45Å
285	I	80.8	Confident	79.8	Confident	55 Å²	55	69 Å²	69	28%	0.282	38%	0.38	S	S	.	.	H	α-helix	trans	-83	-42.1	-175.4	-62.9	164.3	0	0	0	111.7	L240 V281 I282	L240-I285 HydrophobicContact CD1-CD1 4.44Å; V281-I285 HydrophobicContact CG1-CD1 4Å; V281-I285 WeakPolarHBondContact O-CG1 3.37Å; V281-I285 PolarHBondContact O-N 2.98Å; I282-I285 PolarHBondContact O-N 2.7Å
286	I	79.8	Confident	79.6	Confident	18 Å²	18	69.1 Å²	69.1	9%	0.092	38%	0.38	C	S	.	.	S	Bend	trans	-88	141.9	-172.7	-59.3	-177.7	0	0	0	110.4	V157 I282 P294 I296	V157-I286 HydrophobicContact CG2-CG2 4.05Å; I282-I286 HydrophobicContact CG2-CD1 3.69Å; I282-I286 HydrophobicContact CG2-CG1 4.32Å; I282-I286 WeakPolarHBondContact O-CG1 3.41Å; I282-I286 PolarHBondContact O-N 3.02Å; I286-P294 HydrophobicContact CD1-CB 4.03Å; I286-P294 HydrophobicContact CD1-CG 3.72Å; I286-P294 HydrophobicContact CG2-CG 3.65Å; I286-I296 HydrophobicContact CD1-CG2 3.84Å
287	P	76.6	Confident	79.4	Confident	13 Å²	13	67 Å²	67	8%	0.084	37%	0.37	C	S	.	.			trans	-56.5	142.4	172	20.3	-32.3	0	0	0	113	E70 V157 S289	E70-P287 HydrophobicContact CB-CG 4.43Å; E70-P287 VanDerWaalsContact O-CB 3.26Å; E70-P287 WeakPolarHBondContact O-CB 3.38Å; E70-P287 VanDerWaalsContact O-CG 3.24Å; E70-P287 WeakPolarHBondContact O-CG 3.35Å; V157-P287 HydrophobicContact CG1-CG 4.11Å; V157-P287 HydrophobicContact CG2-CG 4.4Å; P287-S289 PolarHBondContact O-N 3.49Å
288	S	68.4	Low	79.2	Confident	131 Å²	131	68.3 Å²	68.3	92%	0.916	37%	0.37	S	S	*	.			trans	-74	64.1	168.8	50.7	0	0	0	0	111.4
289	S	70.4	Confident	79.3	Confident	37 Å²	37	65.8 Å²	65.8	26%	0.259	36%	0.359	S	S	.	.			trans	-100	129.8	175.7	-177.7	0	0	0	0	110.7	P287 K291	P287-S289 PolarHBondContact O-N 3.49Å; S289-K291 VanDerWaalsContact C-N 3.32Å; S289-K291 PolarHBondContact OG-N 3.28Å
290	S	66.1	Low	79.3	Confident	125 Å²	125	63.4 Å²	63.4	87%	0.874	35%	0.347	S	S	*	.	S	Bend	trans	-85.7	-2.9	173.1	58.7	0	0	0	0	113.6
291	K	70.6	Confident	79.3	Confident	173 Å²	173	62.1 Å²	62.1	75%	0.752	34%	0.34	S	S	*	.	S	Bend	trans	-68.7	-41	-176.2	-69.6	-176	179.1	175.8	0	112.3	S289	S289-K291 VanDerWaalsContact C-N 3.32Å; S289-K291 PolarHBondContact OG-N 3.28Å
292	V	75.8	Confident	79.4	Confident	53 Å²	53	62 Å²	62	32%	0.321	34%	0.335	S	S	.	.			trans	-147.9	137.5	-177.7	-68.1	0	0	0	0	109.3
293	I	77.9	Confident	79.6	Confident	120 Å²	120	61.7 Å²	61.7	62%	0.615	33%	0.334	S	S	*	.			trans	-90	127	172.1	-59	174	0	0	0	107.2
294	P	84.4	Confident	80	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.104	32%	0.316	C	S	.	.			trans	-60	146	175.6	-15.6	23.4	0	0	0	111.7	V157 I286 I296 G297 E298	V157-P294 HydrophobicContact CG2-CG 3.94Å; I286-P294 HydrophobicContact CD1-CB 4.03Å; I286-P294 HydrophobicContact CD1-CG 3.72Å; I286-P294 HydrophobicContact CG2-CG 3.65Å; P294-I296 HydrophobicContact CB-CG2 3.97Å; P294-I296 PolarHBondContact O-N 2.93Å; P294-G297 WeakPolarHBondContact O-CA 3.42Å; P294-G297 PolarHBondContact O-N 2.83Å; P294-E298 PolarHBondContact O-N 3.27Å
295	L	84	Confident	80.2	Confident	18 Å²	18	56.7 Å²	56.7	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-37.1	177.1	-168.3	72.3	0	0	0	113.1	T158 G297 E298 Y299 I445 A449	T158-L295 WeakPolarHBondContact O-CB 3.43Å; T158-L295 PolarHBondContact O-N 2.67Å; L295-G297 VanDerWaalsContact C-N 3.3Å; L295-G297 PolarHBondContact O-N 2.82Å; L295-E298 PolarHBondContact O-N 2.63Å; L295-Y299 PolarHBondContact O-N 2.84Å; L295-I445 HydrophobicContact CD1-CG2 3.68Å; L295-I445 WeakPolarHBondContact CD1-O 3.25Å; L295-I445 VanDerWaalsContact CD2-O 3.29Å; L295-I445 WeakPolarHBondContact CD2-O 3.25Å; L295-I445 HydrophobicContact CG-CG2 3.77Å; L295-A449 HydrophobicContact CD2-CB 3.49Å; L295-A449 VanDerWaalsContact CD2-CB 3.49Å
296	I	83.1	Confident	80.6	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-35.2	175.2	-171.3	62.2	0	0	0	111.9	F160 I282 I286 P294 Y299 L300	F160-I296 HydrophobicContact CD1-CG2 4.23Å; I282-I296 HydrophobicContact CD1-CG1 4.04Å; I286-I296 HydrophobicContact CD1-CG2 3.84Å; P294-I296 HydrophobicContact CB-CG2 3.97Å; P294-I296 PolarHBondContact O-N 2.93Å; I296-Y299 HydrophobicContact CD1-CD1 4.42Å; I296-Y299 PolarHBondContact O-N 3.47Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 2.75Å
297	G	82.2	Confident	80.9	Confident	13 Å²	13	54.1 Å²	54.1	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-42.8	175	0	0	0	0	0	111.6	P294 L295 Y299 L300 L301	P294-G297 WeakPolarHBondContact O-CA 3.42Å; P294-G297 PolarHBondContact O-N 2.83Å; L295-G297 VanDerWaalsContact C-N 3.3Å; L295-G297 PolarHBondContact O-N 2.82Å; G297-Y299 VanDerWaalsContact C-N 3.33Å; G297-Y299 PolarHBondContact O-N 2.81Å; G297-L300 PolarHBondContact O-N 3.36Å; G297-L301 WeakPolarHBondContact O-CB 3.47Å; G297-L301 WeakPolarHBondContact O-CG 3.47Å; G297-L301 PolarHBondContact O-N 3.37Å
298	E	84.3	Confident	81.5	Confident	107 Å²	107	56.4 Å²	56.4	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-43.5	172.9	-171.4	-179.4	175.7	0	0	111.5	P294 L295 L301 F302	P294-E298 PolarHBondContact O-N 3.27Å; L295-E298 PolarHBondContact O-N 2.63Å; E298-L301 PolarHBondContact O-N 2.86Å; E298-F302 WeakPolarHBondContact O-CB 3.27Å; E298-F302 PolarHBondContact O-N 3.29Å
299	Y	85.8	Confident	82.6	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-43.7	176.8	-174.8	-118.2	0	0	0	112.8	C244 L245 S248 L295 I296 G297 F302 I303 S442 I445 F446	C244-Y299 HydrophobicContact CB-CE1 4.09Å; L245-Y299 HydrophobicContact CD2-CE1 4.48Å; S248-Y299 WeakPolarHBondContact CB-OH 3.41Å; S248-Y299 PolarHBondContact OG-OH 2.83Å; L295-Y299 PolarHBondContact O-N 2.84Å; I296-Y299 HydrophobicContact CD1-CD1 4.42Å; I296-Y299 PolarHBondContact O-N 3.47Å; G297-Y299 VanDerWaalsContact C-N 3.33Å; G297-Y299 PolarHBondContact O-N 2.81Å; Y299-F302 HydrophobicContact CD2-CD1 4.44Å; Y299-F302 HydrophobicContact CE2-CD1 4.44Å; Y299-F302 WeakPolarHBondContact O-CB 3.31Å; Y299-F302 PolarHBondContact O-N 3.29Å; Y299-I303 HydrophobicContact CD1-CD1 3.68Å; Y299-I303 HydrophobicContact CE1-CD1 3.21Å; Y299-I303 HydrophobicContact CE1-CG1 4.17Å; Y299-I303 HydrophobicContact CE2-CD1 4.14Å; Y299-I303 HydrophobicContact CE2-CG1 4.23Å; Y299-I303 HydrophobicContact CG-CD1 4.31Å; Y299-I303 VanDerWaalsContact CZ-CD1 3.44Å; Y299-I303 WeakPolarHBondContact O-CG1 3Å; Y299-I303 PolarHBondContact O-N 3.31Å; Y299-S442 PolarHBondContact OH-OG 2.9Å; Y299-I445 HydrophobicContact CD2-CD1 3.99Å; Y299-I445 HydrophobicContact CD2-CG2 4.41Å; Y299-F446 AromaticContact CD1-CE2 3.78Å; Y299-F446 HydrophobicContact CD1-CE2 3.78Å; Y299-F446 AromaticContact CD1-CZ 3.79Å; Y299-F446 HydrophobicContact CD1-CZ 3.79Å; Y299-F446 AromaticContact CD2-CE2 3.83Å; Y299-F446 HydrophobicContact CD2-CE2 3.83Å; Y299-F446 HydrophobicContact CD2-CZ 4.49Å; Y299-F446 AromaticContact CE1-CE2 3.84Å; Y299-F446 HydrophobicContact CE1-CE2 3.84Å; Y299-F446 HydrophobicContact CE1-CZ 4.14Å; Y299-F446 AromaticContact CE2-CE2 3.93Å; Y299-F446 HydrophobicContact CE2-CE2 3.93Å; Y299-F446 AromaticContact CG-CE2 3.78Å; Y299-F446 HydrophobicContact CG-CE2 3.78Å; Y299-F446 AromaticContact CG-CZ 3.99Å; Y299-F446 HydrophobicContact CG-CZ 3.99Å; Y299-F446 AromaticContact CZ-CE2 3.95Å
300	L	82.6	Confident	83.5	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-38.8	178	-75.9	175.9	0	0	0	113	C244 L275 L279 I282 I296 G297 F302 I303 M304	C244-L300 HydrophobicContact CB-CD2 4.47Å; L275-L300 HydrophobicContact CD1-CD2 3.77Å; L279-L300 HydrophobicContact CD1-CB 4.14Å; L279-L300 HydrophobicContact CD1-CD1 4.12Å; I282-L300 HydrophobicContact CB-CD1 4.38Å; I282-L300 HydrophobicContact CD1-CD1 3.31Å; I282-L300 HydrophobicContact CG1-CD1 4.41Å; I282-L300 HydrophobicContact CG2-CD1 4.43Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 2.75Å; G297-L300 PolarHBondContact O-N 3.36Å; L300-F302 VanDerWaalsContact C-N 3.32Å; L300-I303 HydrophobicContact CD2-CD1 4.35Å; L300-I303 PolarHBondContact O-N 3.39Å; L300-M304 WeakPolarHBondContact O-CB 3.45Å; L300-M304 PolarHBondContact O-N 3.36Å
301	L	84.1	Confident	84.7	Confident	75 Å²	75	48.2 Å²	48.2	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-42.4	172.2	-74	175.3	0	0	0	111.2	G297 E298 M304 I305	G297-L301 WeakPolarHBondContact O-CB 3.47Å; G297-L301 WeakPolarHBondContact O-CG 3.47Å; G297-L301 PolarHBondContact O-N 3.37Å; E298-L301 PolarHBondContact O-N 2.86Å; L301-M304 HydrophobicContact CD2-CE 3.65Å; L301-M304 PolarHBondContact O-N 2.88Å; L301-I305 WeakPolarHBondContact O-CG1 3.32Å; L301-I305 PolarHBondContact O-N 3.03Å
302	F	87.8	Confident	85.7	Confident	56 Å²	56	45.7 Å²	45.7	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-49.6	173.1	170.4	-101	0	0	0	111.4	E298 Y299 L300 M304 I305 F306 V437 I445	E298-F302 WeakPolarHBondContact O-CB 3.27Å; E298-F302 PolarHBondContact O-N 3.29Å; Y299-F302 HydrophobicContact CD2-CD1 4.44Å; Y299-F302 HydrophobicContact CE2-CD1 4.44Å; Y299-F302 WeakPolarHBondContact O-CB 3.31Å; Y299-F302 PolarHBondContact O-N 3.29Å; L300-F302 VanDerWaalsContact C-N 3.32Å; F302-M304 VanDerWaalsContact C-N 3.3Å; F302-M304 PolarHBondContact O-N 3.03Å; F302-I305 PolarHBondContact O-N 3.3Å; F302-F306 WeakPolarHBondContact O-CB 3.06Å; F302-F306 PolarHBondContact O-N 3.36Å; F302-V437 HydrophobicContact CE2-CG1 4.24Å; F302-V437 HydrophobicContact CZ-CG1 3.91Å; F302-I445 HydrophobicContact CB-CD1 4.15Å; F302-I445 HydrophobicContact CD1-CD1 4.29Å; F302-I445 HydrophobicContact CG-CD1 4.16Å
303	I	86	Confident	86.5	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-39.5	176.7	-63.2	163.4	0	0	0	110.9	L275 Y299 L300 F306 V307	L275-I303 HydrophobicContact CD1-CB 4.12Å; L275-I303 HydrophobicContact CD1-CG2 3.66Å; L275-I303 HydrophobicContact CD2-CB 4.29Å; L275-I303 HydrophobicContact CD2-CG2 3.73Å; L275-I303 HydrophobicContact CG-CG2 4.35Å; Y299-I303 HydrophobicContact CD1-CD1 3.68Å; Y299-I303 HydrophobicContact CE1-CD1 3.21Å; Y299-I303 HydrophobicContact CE1-CG1 4.17Å; Y299-I303 HydrophobicContact CE2-CD1 4.14Å; Y299-I303 HydrophobicContact CE2-CG1 4.23Å; Y299-I303 HydrophobicContact CG-CD1 4.31Å; Y299-I303 VanDerWaalsContact CZ-CD1 3.44Å; Y299-I303 WeakPolarHBondContact O-CG1 3Å; Y299-I303 PolarHBondContact O-N 3.31Å; L300-I303 HydrophobicContact CD2-CD1 4.35Å; L300-I303 PolarHBondContact O-N 3.39Å; I303-F306 CarbonylContact O-C 3.49Å; I303-F306 WeakPolarHBondContact O-CB 3.43Å; I303-F306 PolarHBondContact O-N 2.81Å; I303-F306 VanDerWaalsContact O-N 3.16Å; I303-V307 HydrophobicContact CG2-CG2 3.92Å; I303-V307 WeakPolarHBondContact O-CB 3.28Å; I303-V307 VanDerWaalsContact O-CG2 3.28Å; I303-V307 WeakPolarHBondContact O-CG2 3.24Å; I303-V307 PolarHBondContact O-N 3.03Å
304	M	85.4	Confident	87.1	Confident	59 Å²	59	38.2 Å²	38.2	29%	0.291	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-46.8	-178.6	-174.3	-179	68.1	0	0	112.1	L275 L279 L300 L301 F302 F306 V307 T308	L275-M304 VanDerWaalsContact CD2-CA 3.49Å; L275-M304 HydrophobicContact CD2-CB 3.85Å; L275-M304 HydrophobicContact CD2-CG 4.39Å; L279-M304 HydrophobicContact CD2-SD 4.3Å; L300-M304 WeakPolarHBondContact O-CB 3.45Å; L300-M304 PolarHBondContact O-N 3.36Å; L301-M304 HydrophobicContact CD2-CE 3.65Å; L301-M304 PolarHBondContact O-N 2.88Å; F302-M304 VanDerWaalsContact C-N 3.3Å; F302-M304 PolarHBondContact O-N 3.03Å; M304-F306 PolarHBondContact O-N 2.76Å; M304-V307 PolarHBondContact O-N 2.93Å; M304-T308 WeakPolarHBondContact O-CG2 3.26Å; M304-T308 PolarHBondContact O-N 2.79Å; M304-T308 PolarHBondContact O-OG1 2.83Å
305	I	88.4	Confident	87.4	Confident	110 Å²	110	41.1 Å²	41.1	56%	0.564	22%	0.217	S	C	*	.	H	α-helix	trans	-59.7	-39	172.7	-66.2	168.4	0	0	0	110.1	L301 F302 T308 L309	L301-I305 WeakPolarHBondContact O-CG1 3.32Å; L301-I305 PolarHBondContact O-N 3.03Å; F302-I305 PolarHBondContact O-N 3.3Å; I305-T308 WeakPolarHBondContact CA-OG1 3.49Å; I305-T308 PolarHBondContact O-OG1 2.04Å; I305-L309 WeakPolarHBondContact O-CB 3.47Å; I305-L309 PolarHBondContact O-N 2.93Å; I305-L309 VanDerWaalsContact O-N 3.08Å
306	F	87.8	Confident	87.7	Confident	18 Å²	18	45.4 Å²	45.4	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-69.5	-42.5	-179.4	-167.5	-111	0	0	0	113.2	F302 I303 M304 L309 S310 F434 V437	F302-F306 WeakPolarHBondContact O-CB 3.06Å; F302-F306 PolarHBondContact O-N 3.36Å; I303-F306 CarbonylContact O-C 3.49Å; I303-F306 WeakPolarHBondContact O-CB 3.43Å; I303-F306 PolarHBondContact O-N 2.81Å; I303-F306 VanDerWaalsContact O-N 3.16Å; M304-F306 PolarHBondContact O-N 2.76Å; F306-L309 PolarHBondContact O-N 2.91Å; F306-S310 WeakPolarHBondContact O-CB 3.49Å; F306-S310 PolarHBondContact O-N 2.83Å; F306-F434 HydrophobicContact CD1-CD1 4.04Å; F306-F434 HydrophobicContact CD1-CE1 4.41Å; F306-F434 AromaticContact CD2-CD1 4Å; F306-F434 HydrophobicContact CD2-CD1 4Å; F306-F434 HydrophobicContact CD2-CE1 4.05Å; F306-F434 HydrophobicContact CE1-CB 4.21Å; F306-F434 AromaticContact CE1-CD1 3.41Å; F306-F434 HydrophobicContact CE1-CD1 3.41Å; F306-F434 VanDerWaalsContact CE1-CD1 3.41Å; F306-F434 HydrophobicContact CE1-CE1 4.19Å; F306-F434 HydrophobicContact CE1-CG 4.24Å; F306-F434 HydrophobicContact CE2-CB 4.2Å; F306-F434 AromaticContact CE2-CD1 3.32Å; F306-F434 HydrophobicContact CE2-CD1 3.32Å; F306-F434 AromaticContact CE2-CE1 3.79Å; F306-F434 HydrophobicContact CE2-CE1 3.79Å; F306-F434 AromaticContact CE2-CG 3.87Å; F306-F434 HydrophobicContact CE2-CG 3.87Å; F306-F434 HydrophobicContact CG-CD1 4.32Å; F306-F434 HydrophobicContact CG-CE1 4.37Å; F306-F434 HydrophobicContact CZ-CB 3.49Å; F306-F434 VanDerWaalsContact CZ-CB 3.49Å; F306-F434 AromaticContact CZ-CD1 3.02Å; F306-F434 HydrophobicContact CZ-CD1 3.02Å; F306-F434 AromaticContact CZ-CE1 3.9Å; F306-F434 HydrophobicContact CZ-CE1 3.9Å; F306-F434 AromaticContact CZ-CG 3.53Å; F306-F434 HydrophobicContact CZ-CG 3.53Å; F306-F434 VanDerWaalsContact CZ-O 3.25Å; F306-F434 WeakPolarHBondContact CZ-O 3.46Å; F306-V437 HydrophobicContact CD2-CG1 4.03Å; F306-V437 HydrophobicContact CE2-CB 3.86Å; F306-V437 HydrophobicContact CE2-CG1 3.53Å; F306-V437 HydrophobicContact CZ-CB 4.38Å; F306-V437 HydrophobicContact CZ-CG1 4.37Å
307	V	87.4	Confident	88.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-45	175.4	172.5	0	0	0	0	111.1	T251 V271 L272 L275 I303 M304 L309 S310 I311	T251-V307 HydrophobicContact CG2-CG2 3.34Å; V271-V307 HydrophobicContact CG1-CG2 4.4Å; L272-V307 HydrophobicContact CB-CG1 3.81Å; L272-V307 HydrophobicContact CD1-CB 4.44Å; L272-V307 HydrophobicContact CD1-CG1 3.75Å; L272-V307 HydrophobicContact CG-CG1 4.36Å; L275-V307 HydrophobicContact CD2-CG2 4.13Å; I303-V307 HydrophobicContact CG2-CG2 3.92Å; I303-V307 WeakPolarHBondContact O-CB 3.28Å; I303-V307 VanDerWaalsContact O-CG2 3.28Å; I303-V307 WeakPolarHBondContact O-CG2 3.24Å; I303-V307 PolarHBondContact O-N 3.03Å; M304-V307 PolarHBondContact O-N 2.93Å; V307-L309 VanDerWaalsContact C-N 3.33Å; V307-L309 PolarHBondContact O-N 2.65Å; V307-S310 WeakPolarHBondContact O-CA 3.43Å; V307-S310 VanDerWaalsContact O-CB 3.32Å; V307-S310 WeakPolarHBondContact O-CB 3.41Å; V307-S310 PolarHBondContact O-N 3.45Å; V307-S310 VanDerWaalsContact O-N 3.14Å; V307-I311 HydrophobicContact CG1-CD1 3.97Å; V307-I311 HydrophobicContact CG1-CG1 4.5Å; V307-I311 WeakPolarHBondContact O-CG1 3.4Å; V307-I311 PolarHBondContact O-N 3.19Å
308	T	88.6	Confident	88.4	Confident	60 Å²	60	46.5 Å²	46.5	37%	0.368	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-42.4	177.9	50.7	0	0	0	0	111.7	L272 M304 I305 S310 I311 I312	L272-T308 HydrophobicContact CD1-CG2 4.35Å; M304-T308 WeakPolarHBondContact O-CG2 3.26Å; M304-T308 PolarHBondContact O-N 2.79Å; M304-T308 PolarHBondContact O-OG1 2.83Å; I305-T308 WeakPolarHBondContact CA-OG1 3.49Å; I305-T308 PolarHBondContact O-OG1 2.04Å; T308-S310 VanDerWaalsContact C-N 3.35Å; T308-I311 PolarHBondContact O-N 2.91Å; T308-I312 WeakPolarHBondContact O-CG1 3.26Å; T308-I312 PolarHBondContact O-N 2.88Å; T308-I312 VanDerWaalsContact O-N 3.12Å
309	L	91.2	Very high	88.7	Confident	89 Å²	89	46.5 Å²	46.5	47%	0.466	24%	0.241	S	C	.	.	H	α-helix	trans	-65.6	-38	174	-161.6	148	0	0	0	111.7	I305 F306 V307 I312 V313 F434	I305-L309 WeakPolarHBondContact O-CB 3.47Å; I305-L309 PolarHBondContact O-N 2.93Å; I305-L309 VanDerWaalsContact O-N 3.08Å; F306-L309 PolarHBondContact O-N 2.91Å; V307-L309 VanDerWaalsContact C-N 3.33Å; V307-L309 PolarHBondContact O-N 2.65Å; L309-I312 PolarHBondContact O-N 3.03Å; L309-V313 HydrophobicContact CD2-CG2 3.94Å; L309-V313 VanDerWaalsContact O-CG2 3.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.48Å; L309-V313 PolarHBondContact O-N 3.26Å; L309-F434 HydrophobicContact CD2-CE1 4.24Å; L309-F434 HydrophobicContact CD2-CE2 3.99Å; L309-F434 HydrophobicContact CD2-CZ 3.36Å
310	S	90.6	Very high	88.7	Confident	1 Å²	1	47 Å²	47	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-48.2	173.1	-175.1	0	0	0	0	111.6	F255 F306 V307 T308 I312 V313 T314	F255-S310 VanDerWaalsContact CE2-OG 3.3Å; F255-S310 WeakPolarHBondContact CE2-OG 3.31Å; F255-S310 VanDerWaalsContact CZ-OG 3.23Å; F255-S310 WeakPolarHBondContact CZ-OG 3.39Å; F306-S310 WeakPolarHBondContact O-CB 3.49Å; F306-S310 PolarHBondContact O-N 2.83Å; V307-S310 WeakPolarHBondContact O-CA 3.43Å; V307-S310 VanDerWaalsContact O-CB 3.32Å; V307-S310 WeakPolarHBondContact O-CB 3.41Å; V307-S310 PolarHBondContact O-N 3.45Å; V307-S310 VanDerWaalsContact O-N 3.14Å; T308-S310 VanDerWaalsContact C-N 3.35Å; S310-I312 PolarHBondContact O-N 2.81Å; S310-V313 PolarHBondContact O-N 3.06Å; S310-T314 VanDerWaalsContact O-CG2 3.25Å; S310-T314 WeakPolarHBondContact O-CG2 3.33Å; S310-T314 PolarHBondContact O-N 2.99Å; S310-T314 PolarHBondContact O-OG1 3.35Å
311	I	90.1	Very high	88.9	Confident	32 Å²	32	47.4 Å²	47.4	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-48.6	177.7	-68.3	163.1	0	0	0	110.7	S268 L272 V307 T308 V313 T314 V315	S268-I311 WeakPolarHBondContact OG-CG1 3.5Å; L272-I311 HydrophobicContact CB-CD1 4Å; L272-I311 HydrophobicContact CD2-CD1 3.68Å; L272-I311 HydrophobicContact CG-CD1 4.29Å; V307-I311 HydrophobicContact CG1-CD1 3.97Å; V307-I311 HydrophobicContact CG1-CG1 4.5Å; V307-I311 WeakPolarHBondContact O-CG1 3.4Å; V307-I311 PolarHBondContact O-N 3.19Å; T308-I311 PolarHBondContact O-N 2.91Å; I311-V313 VanDerWaalsContact C-N 3.31Å; I311-V313 PolarHBondContact O-N 3.41Å; I311-T314 WeakPolarHBondContact CA-OG1 3.33Å; I311-T314 PolarHBondContact O-N 3.31Å; I311-T314 PolarHBondContact O-OG1 3.19Å; I311-V315 HydrophobicContact CG2-CG2 4.46Å; I311-V315 WeakPolarHBondContact O-CG2 3.26Å; I311-V315 PolarHBondContact O-N 2.97Å
312	I	92.1	Very high	88.9	Confident	120 Å²	120	48.6 Å²	48.6	62%	0.615	25%	0.249	S	C	*	.	H	α-helix	trans	-57	-45.6	178.3	-67.9	160.5	0	0	0	111.1	T308 L309 S310 V315 F316	T308-I312 WeakPolarHBondContact O-CG1 3.26Å; T308-I312 PolarHBondContact O-N 2.88Å; T308-I312 VanDerWaalsContact O-N 3.12Å; L309-I312 PolarHBondContact O-N 3.03Å; S310-I312 PolarHBondContact O-N 2.81Å; I312-V315 PolarHBondContact O-N 3.3Å; I312-F316 PolarHBondContact O-N 3.41Å; I312-F316 VanDerWaalsContact O-N 3.07Å
313	V	92.1	Very high	88.5	Confident	16 Å²	16	52.2 Å²	52.2	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-42.4	178.3	173.5	0	0	0	0	111.5	F255 L309 S310 I311 V315 F316 V317 F430 F434	F255-V313 HydrophobicContact CE1-CB 4.29Å; F255-V313 HydrophobicContact CE1-CG1 3.75Å; F255-V313 HydrophobicContact CZ-CB 4.35Å; F255-V313 HydrophobicContact CZ-CG1 4.16Å; L309-V313 HydrophobicContact CD2-CG2 3.94Å; L309-V313 VanDerWaalsContact O-CG2 3.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.48Å; L309-V313 PolarHBondContact O-N 3.26Å; S310-V313 PolarHBondContact O-N 3.06Å; I311-V313 VanDerWaalsContact C-N 3.31Å; I311-V313 PolarHBondContact O-N 3.41Å; V313-V315 PolarHBondContact O-N 3.32Å; V313-F316 WeakPolarHBondContact O-CB 3.48Å; V313-F316 PolarHBondContact O-N 3.07Å; V313-F316 VanDerWaalsContact O-N 3.15Å; V313-V317 HydrophobicContact CG1-CG2 4.34Å; V313-V317 WeakPolarHBondContact O-CG2 3.19Å; V313-V317 PolarHBondContact O-N 3.28Å; V313-F430 HydrophobicContact CG1-CB 4.1Å; V313-F430 HydrophobicContact CG1-CD1 3.72Å; V313-F430 HydrophobicContact CG1-CD2 3.29Å; V313-F430 HydrophobicContact CG1-CE1 3.88Å; V313-F430 HydrophobicContact CG1-CE2 3.47Å; V313-F430 VanDerWaalsContact CG1-CE2 3.47Å; V313-F430 HydrophobicContact CG1-CG 3.43Å; V313-F430 VanDerWaalsContact CG1-CG 3.43Å; V313-F430 HydrophobicContact CG1-CZ 3.77Å; V313-F430 HydrophobicContact CG2-CD1 4.44Å; V313-F430 HydrophobicContact CG2-CE1 4.23Å; V313-F434 HydrophobicContact CG2-CE2 4.47Å; V313-F434 HydrophobicContact CG2-CZ 4.43Å
314	T	90.2	Very high	87.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-41.7	178.3	59.4	0	0	0	0	112	V254 F255 S310 I311 F316 V317 I318	V254-T314 HydrophobicContact CG1-CG2 3.64Å; F255-T314 HydrophobicContact CD1-CG2 4.25Å; F255-T314 HydrophobicContact CE1-CG2 3.65Å; F255-T314 HydrophobicContact CZ-CG2 4.13Å; S310-T314 VanDerWaalsContact O-CG2 3.25Å; S310-T314 WeakPolarHBondContact O-CG2 3.33Å; S310-T314 PolarHBondContact O-N 2.99Å; S310-T314 PolarHBondContact O-OG1 3.35Å; I311-T314 WeakPolarHBondContact CA-OG1 3.33Å; I311-T314 PolarHBondContact O-N 3.31Å; I311-T314 PolarHBondContact O-OG1 3.19Å; T314-F316 VanDerWaalsContact C-N 3.3Å; T314-F316 PolarHBondContact O-N 3.35Å; T314-V317 PolarHBondContact O-N 3.1Å; T314-I318 WeakPolarHBondContact O-CB 3.27Å; T314-I318 WeakPolarHBondContact O-CG1 3.45Å; T314-I318 PolarHBondContact O-N 3.35Å
315	V	91	Very high	85.9	Confident	77 Å²	77	54.1 Å²	54.1	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-41.4	173.7	172.8	0	0	0	0	110.7	L265 I311 I312 V313 I318 N319	L265-V315 HydrophobicContact CD1-CG2 4.37Å; I311-V315 HydrophobicContact CG2-CG2 4.46Å; I311-V315 WeakPolarHBondContact O-CG2 3.26Å; I311-V315 PolarHBondContact O-N 2.97Å; I312-V315 PolarHBondContact O-N 3.3Å; V313-V315 PolarHBondContact O-N 3.32Å; V315-I318 PolarHBondContact O-N 3.05Å; V315-N319 WeakPolarHBondContact O-CB 3.42Å; V315-N319 PolarHBondContact O-N 3.15Å
316	F	91.5	Very high	84.3	Confident	107 Å²	107	53.7 Å²	53.7	47%	0.469	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-45.7	174.8	174.3	-99.5	0	0	0	112.3	I312 V313 T314 N319 V320 L426	I312-F316 PolarHBondContact O-N 3.41Å; I312-F316 VanDerWaalsContact O-N 3.07Å; V313-F316 WeakPolarHBondContact O-CB 3.48Å; V313-F316 PolarHBondContact O-N 3.07Å; V313-F316 VanDerWaalsContact O-N 3.15Å; T314-F316 VanDerWaalsContact C-N 3.3Å; T314-F316 PolarHBondContact O-N 3.35Å; F316-N319 WeakPolarHBondContact O-CB 3.36Å; F316-N319 PolarHBondContact O-N 3.47Å; F316-V320 HydrophobicContact CE1-CG2 4.08Å; F316-V320 HydrophobicContact CE2-CG2 4.3Å; F316-V320 HydrophobicContact CZ-CG2 3.97Å; F316-V320 WeakPolarHBondContact O-CG2 3.28Å; F316-V320 PolarHBondContact O-N 3.43Å; F316-L426 HydrophobicContact CE1-CD1 4.08Å
317	V	90.9	Very high	83.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-41.7	178.2	175.9	0	0	0	0	111.5	V313 T314 N319 V320 H321 A423 L426 D427 F430	V313-V317 HydrophobicContact CG1-CG2 4.34Å; V313-V317 WeakPolarHBondContact O-CG2 3.19Å; V313-V317 PolarHBondContact O-N 3.28Å; T314-V317 PolarHBondContact O-N 3.1Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 3.23Å; V317-V320 PolarHBondContact O-N 3.11Å; V317-H321 WeakPolarHBondContact O-CB 3.36Å; V317-H321 PolarHBondContact O-N 3.39Å; V317-A423 HydrophobicContact CG1-CB 3.96Å; V317-L426 HydrophobicContact CG2-CB 4.05Å; V317-D427 WeakPolarHBondContact CG1-OD1 3.46Å; V317-F430 HydrophobicContact CG2-CD2 4.17Å; V317-F430 HydrophobicContact CG2-CE2 4.26Å
318	I	89.3	Confident	81.9	Confident	43 Å²	43	64 Å²	64	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-42.3	175.4	-68.7	166.4	0	0	0	110.5	T314 V315 V320 H321 H322	T314-I318 WeakPolarHBondContact O-CB 3.27Å; T314-I318 WeakPolarHBondContact O-CG1 3.45Å; T314-I318 PolarHBondContact O-N 3.35Å; V315-I318 PolarHBondContact O-N 3.05Å; I318-V320 VanDerWaalsContact C-N 3.33Å; I318-V320 PolarHBondContact O-N 3.34Å; I318-H321 WeakPolarHBondContact O-CB 3.45Å; I318-H321 PolarHBondContact O-N 2.91Å; I318-H322 PolarHBondContact O-CD2 2.69Å; I318-H322 PolarHBondContact O-N 2.74Å
319	N	89.3	Confident	80.7	Confident	107 Å²	107	66.9 Å²	66.9	57%	0.572	34%	0.343	S	S	*	.	H	α-helix	trans	-60.4	-43.4	175.2	-173.6	10.8	0	0	0	111.4	V315 F316 V317 H321 H322 R323	V315-N319 WeakPolarHBondContact O-CB 3.42Å; V315-N319 PolarHBondContact O-N 3.15Å; F316-N319 WeakPolarHBondContact O-CB 3.36Å; F316-N319 PolarHBondContact O-N 3.47Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 3.23Å; N319-H321 VanDerWaalsContact C-N 3.35Å; N319-H321 PolarHBondContact O-N 3.1Å; N319-H322 PolarHBondContact O-N 2.77Å; N319-R323 WeakPolarHBondContact O-CB 3.28Å; N319-R323 PolarHBondContact O-N 2.93Å
320	V	87.1	Confident	79.6	Confident	10 Å²	10	67.6 Å²	67.6	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-40.6	174.7	173.7	0	0	0	0	111.8	F316 V317 I318 R323 W419 V422 A423 L426	F316-V320 HydrophobicContact CE1-CG2 4.08Å; F316-V320 HydrophobicContact CE2-CG2 4.3Å; F316-V320 HydrophobicContact CZ-CG2 3.97Å; F316-V320 WeakPolarHBondContact O-CG2 3.28Å; F316-V320 PolarHBondContact O-N 3.43Å; V317-V320 PolarHBondContact O-N 3.11Å; I318-V320 VanDerWaalsContact C-N 3.33Å; I318-V320 PolarHBondContact O-N 3.34Å; V320-R323 WeakPolarHBondContact O-CB 3.36Å; V320-R323 PolarHBondContact O-N 3.4Å; V320-W419 HydrophobicContact CG1-CE3 3.79Å; V320-W419 HydrophobicContact CG1-CZ3 3.99Å; V320-V422 HydrophobicContact CG1-CG1 4.08Å; V320-A423 HydrophobicContact CG1-CB 4.31Å; V320-L426 HydrophobicContact CB-CD1 4.41Å; V320-L426 HydrophobicContact CG1-CD1 4.08Å; V320-L426 HydrophobicContact CG2-CD1 4.25Å
321	H	86.8	Confident	78.9	Confident	11 Å²	11	69 Å²	69	5%	0.051	36%	0.36	C	S	.	.	H	α-helix	trans	-61.3	-46	178.1	-176.9	-101.6	0	0	0	112.3	D260 V317 I318 N319 A423	D260-H321 IonicContact OD1-CE1 3.23Å; D260-H321 PolarHBondContact OD1-CE1 3.47Å; D260-H321 IonicContact OD1-NE2 2.76Å; D260-H321 PolarHBondContact OD1-NE2 3.35Å; V317-H321 WeakPolarHBondContact O-CB 3.36Å; V317-H321 PolarHBondContact O-N 3.39Å; I318-H321 WeakPolarHBondContact O-CB 3.45Å; I318-H321 PolarHBondContact O-N 2.91Å; N319-H321 VanDerWaalsContact C-N 3.35Å; N319-H321 PolarHBondContact O-N 3.1Å; H321-A423 HydrophobicContact CB-CB 3.81Å
322	H	84.3	Confident	78.6	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.468	37%	0.368	S	S	.	.	H	α-helix	trans	-87.6	-7.8	-178.2	-72.6	-79.6	0	0	0	114.6	I318 N319 S324 S325	I318-H322 PolarHBondContact O-CD2 2.69Å; I318-H322 PolarHBondContact O-N 2.74Å; N319-H322 PolarHBondContact O-N 2.77Å; H322-S324 PolarHBondContact O-N 3.23Å; H322-S325 PolarHBondContact O-N 2.89Å
323	R	78.3	Confident	78.1	Confident	132 Å²	132	68.3 Å²	68.3	50%	0.498	37%	0.368	S	S	.	.	H	α-helix	trans	-50.6	-35.1	-177.2	-168.4	171.9	-177.3	161.5	2.9	113.7	N319 V320	N319-R323 WeakPolarHBondContact O-CB 3.28Å; N319-R323 PolarHBondContact O-N 2.93Å; V320-R323 WeakPolarHBondContact O-CB 3.36Å; V320-R323 PolarHBondContact O-N 3.4Å
324	S	61.8	Low	77.8	Confident	6 Å²	6	75.7 Å²	75.7	4%	0.042	40%	0.395	C	S	.	.	H	α-helix	trans	-84.1	-16.7	-177.8	-165.1	0	0	0	0	115	H322 S326 V416	H322-S324 PolarHBondContact O-N 3.23Å; S324-S326 VanDerWaalsContact C-N 3.3Å; S324-V416 WeakPolarHBondContact OG-CA 3.23Å; S324-V416 VanDerWaalsContact OG-CG2 3.27Å; S324-V416 WeakPolarHBondContact OG-CG2 3.35Å
325	S	56	Low	77.5	Confident	95 Å²	95	76.3 Å²	76.3	66%	0.664	40%	0.399	S	S	*	.	H	α-helix	trans	-76.2	-20.7	-178.2	-170.5	0	0	0	0	112.6	H322	H322-S325 PolarHBondContact O-N 2.89Å
326	S	55	Low	77.1	Confident	100 Å²	100	76.9 Å²	76.9	70%	0.699	40%	0.395	S	S	*	.	H	α-helix	trans	-115.4	-31	-173	-173.8	0	0	0	0	113.3	S324	S324-S326 VanDerWaalsContact C-N 3.3Å
327	T	61.1	Low	76.6	Confident	70 Å²	70	80 Å²	80	43%	0.429	40%	0.404	S	S	.	.			trans	-135.1	110.1	-174.2	-24.8	0	0	0	0	110.4	H329	T327-H329 WeakPolarHBondContact CG2-CD2 3.23Å; T327-H329 WeakPolarHBondContact CG2-NE2 3.48Å; T327-H329 PolarHBondContact O-N 3.49Å
328	Y	61.7	Low	76.3	Confident	168 Å²	168	85 Å²	85	66%	0.659	43%	0.425	S	S	*	.			trans	-68.1	41.4	-177	-63.3	-84.7	0	0	0	114.4	I412	Y328-I412 HydrophobicContact CD1-CD1 4.24Å; Y328-I412 HydrophobicContact CD1-CG1 3.95Å; Y328-I412 HydrophobicContact CD1-CG2 4.33Å; Y328-I412 HydrophobicContact CE1-CB 4.32Å; Y328-I412 HydrophobicContact CE1-CD1 3.6Å; Y328-I412 HydrophobicContact CE1-CG1 3.67Å; Y328-I412 HydrophobicContact CE1-CG2 3.68Å
329	H	64	Low	76.1	Confident	119 Å²	119	84.3 Å²	84.3	55%	0.551	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-77.2	127	178.7	-75.8	-61.5	0	0	0	111	T327	T327-H329 WeakPolarHBondContact CG2-CD2 3.23Å; T327-H329 WeakPolarHBondContact CG2-NE2 3.48Å; T327-H329 PolarHBondContact O-N 3.49Å
330	P	68	Low	75.6	Confident	105 Å²	105	79.7 Å²	79.7	68%	0.682	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63.3	137.7	171.9	26.1	-32	0	0	0	110.2
331	M	77.3	Confident	75.2	Confident	30 Å²	30	84.1 Å²	84.1	15%	0.148	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-57.6	138.2	176.1	-80.8	-175.1	165.9	0	0	111.3	D418 W419 V422	M331-D418 HydrophobicContact CE-CB 3.9Å; M331-D418 HydrophobicContact SD-CB 4.04Å; M331-W419 VanDerWaalsContact CE-CA 3.45Å; M331-W419 HydrophobicContact CE-CB 4Å; M331-W419 HydrophobicContact CE-CD2 3.28Å; M331-W419 HydrophobicContact CE-CE3 3.67Å; M331-W419 HydrophobicContact CE-CG 3.42Å; M331-W419 VanDerWaalsContact CE-CG 3.42Å; M331-W419 HydrophobicContact CE-CZ2 4.26Å; M331-W419 HydrophobicContact CE-CZ3 4.28Å; M331-W419 HydrophobicContact CG-CD2 4.2Å; M331-W419 VanDerWaalsContact CG-CE2 3.47Å; M331-W419 HydrophobicContact CG-CH2 4.34Å; M331-W419 HydrophobicContact CG-CZ2 3.58Å; M331-V422 HydrophobicContact CE-CB 4.26Å; M331-V422 HydrophobicContact CE-CG2 3.53Å; M331-V422 HydrophobicContact SD-CG2 4.47Å
332	A	83.2	Confident	74.9	Confident	40 Å²	40	91.1 Å²	91.1	33%	0.331	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61.3	139.9	172.8	0	0	0	0	0	110.4	W334 V335 K336	A332-W334 HydrophobicContact CB-CG 4.49Å; A332-W334 PolarHBondContact O-N 3.17Å; A332-W334 VanDerWaalsContact O-N 3.09Å; A332-V335 HydrophobicContact CB-CG2 4.14Å; A332-V335 WeakPolarHBondContact O-CB 3.34Å; A332-V335 PolarHBondContact O-N 2.74Å; A332-K336 PolarHBondContact O-N 3.11Å
333	P	82	Confident	74.8	Confident	97 Å²	97	87 Å²	87	63%	0.63	43%	0.428	S	S	*	.	H	α-helix	trans	-58.1	-30	-174	-27.2	34.4	0	0	0	114.5	R337	P333-R337 PolarHBondContact O-N 2.73Å
334	W	85.2	Confident	74.9	Confident	171 Å²	171	80.8 Å²	80.8	65%	0.648	40%	0.404	S	S	*	.	H	α-helix	trans	-70.7	-37.6	177.9	70.9	-96.7	0	0	0	112.4	A332 K336 R337 F338	A332-W334 HydrophobicContact CB-CG 4.49Å; A332-W334 PolarHBondContact O-N 3.17Å; A332-W334 VanDerWaalsContact O-N 3.09Å; W334-K336 VanDerWaalsContact C-N 3.33Å; W334-K336 PolarHBondContact O-N 3.32Å; W334-R337 PolarHBondContact O-N 3.14Å; W334-F338 WeakPolarHBondContact O-CB 3.46Å; W334-F338 PolarHBondContact O-N 2.82Å
335	V	84.3	Confident	75.7	Confident	14 Å²	14	87.5 Å²	87.5	9%	0.085	43%	0.433	C	S	.	.	H	α-helix	trans	-62.3	-44.9	176.6	178.6	0	0	0	0	109.4	A332 R337 F338 F339	A332-V335 HydrophobicContact CB-CG2 4.14Å; A332-V335 WeakPolarHBondContact O-CB 3.34Å; A332-V335 PolarHBondContact O-N 2.74Å; V335-R337 PolarHBondContact O-N 2.68Å; V335-F338 PolarHBondContact O-N 2.83Å; V335-F339 HydrophobicContact CG1-CD2 3.82Å; V335-F339 WeakPolarHBondContact O-CB 3.46Å; V335-F339 PolarHBondContact O-N 2.83Å
336	K	81.9	Confident	77	Confident	88 Å²	88	89.6 Å²	89.6	38%	0.383	44%	0.436	S	S	.	.	I	π-helix	trans	-59.4	-48.4	178.5	-157.6	-179.2	-176.8	171.7	0	111.9	A332 W334 L340	A332-K336 PolarHBondContact O-N 3.11Å; W334-K336 VanDerWaalsContact C-N 3.33Å; W334-K336 PolarHBondContact O-N 3.32Å; K336-L340 HydrophobicContact CG-CD1 3.56Å; K336-L340 HydrophobicContact CG-CG 4.3Å; K336-L340 WeakPolarHBondContact O-CB 3.45Å; K336-L340 PolarHBondContact O-N 2.71Å; K336-L340 VanDerWaalsContact O-N 3.12Å
337	R	81.6	Confident	78.1	Confident	174 Å²	174	86.9 Å²	86.9	66%	0.657	41%	0.413	S	S	*	.	I	π-helix	trans	-65.7	-40	178.9	-71.4	-178.6	-174.1	170.5	2.1	112.4	P333 W334 V335 Q341 K342	P333-R337 PolarHBondContact O-N 2.73Å; W334-R337 PolarHBondContact O-N 3.14Å; V335-R337 PolarHBondContact O-N 2.68Å; R337-Q341 WeakPolarHBondContact O-CB 3.46Å; R337-K342 PolarHBondContact O-N 2.85Å
338	F	85.1	Confident	79	Confident	104 Å²	104	89 Å²	89	46%	0.456	43%	0.43	S	S	.	.	I	π-helix	trans	-77.7	-56.2	-175.4	-171.2	-111.4	0	0	0	112.3	W334 V335 K342 L343	W334-F338 WeakPolarHBondContact O-CB 3.46Å; W334-F338 PolarHBondContact O-N 2.82Å; V335-F338 PolarHBondContact O-N 2.83Å; F338-K342 PolarHBondContact O-N 2.81Å; F338-L343 HydrophobicContact CD1-CD1 3.49Å; F338-L343 VanDerWaalsContact CD1-CD1 3.49Å; F338-L343 HydrophobicContact CD1-CG 4.38Å; F338-L343 HydrophobicContact CE1-CD1 3.23Å; F338-L343 HydrophobicContact CE1-CG 4.03Å; F338-L343 HydrophobicContact CG-CD1 4.25Å; F338-L343 HydrophobicContact CZ-CD1 3.79Å; F338-L343 HydrophobicContact CZ-CG 4.1Å; F338-L343 PolarHBondContact O-N 2.81Å
339	F	83.5	Confident	79.6	Confident	28 Å²	28	82.7 Å²	82.7	12%	0.123	41%	0.407	C	S	.	.	I	π-helix	trans	-82.1	-27.4	-173.6	-73.6	-81.6	0	0	0	114.6	V335 L343 P344 V422 V425 L426 I429	V335-F339 HydrophobicContact CG1-CD2 3.82Å; V335-F339 WeakPolarHBondContact O-CB 3.46Å; V335-F339 PolarHBondContact O-N 2.83Å; F339-L343 HydrophobicContact CD1-CD1 3.5Å; F339-L343 VanDerWaalsContact CD1-CD1 3.5Å; F339-L343 HydrophobicContact CE1-CD1 3.68Å; F339-L343 HydrophobicContact CG-CD1 4.09Å; F339-L343 HydrophobicContact CZ-CD1 4.43Å; F339-P344 WeakPolarHBondContact O-CD 3.23Å; F339-P344 WeakPolarHBondContact O-CG 3.41Å; F339-V422 HydrophobicContact CB-CB 4.46Å; F339-V422 HydrophobicContact CB-CG1 4.13Å; F339-V422 HydrophobicContact CB-CG2 3.79Å; F339-V422 HydrophobicContact CD1-CG1 4.07Å; F339-V422 HydrophobicContact CD2-CG1 4.31Å; F339-V422 HydrophobicContact CG-CG1 3.92Å; F339-V422 HydrophobicContact CG-CG2 4.47Å; F339-V425 HydrophobicContact CD1-CG1 3.97Å; F339-L426 HydrophobicContact CD1-CD2 4.5Å; F339-L426 HydrophobicContact CD1-CG 4.4Å; F339-L426 HydrophobicContact CE1-CD2 3.42Å; F339-L426 VanDerWaalsContact CE1-CD2 3.42Å; F339-L426 HydrophobicContact CE1-CG 3.73Å; F339-L426 HydrophobicContact CZ-CD2 3.77Å; F339-L426 HydrophobicContact CZ-CG 4.34Å; F339-I429 HydrophobicContact CE1-CD1 4.45Å
340	L	79.5	Confident	79.4	Confident	11 Å²	11	85.6 Å²	85.6	6%	0.058	42%	0.418	C	S	.	.	I	π-helix	trans	-96.3	-24.1	179.6	-52.2	-176.1	0	0	0	113.7	K336 Y356 D418 F421 V422	K336-L340 HydrophobicContact CG-CD1 3.56Å; K336-L340 HydrophobicContact CG-CG 4.3Å; K336-L340 WeakPolarHBondContact O-CB 3.45Å; K336-L340 PolarHBondContact O-N 2.71Å; K336-L340 VanDerWaalsContact O-N 3.12Å; L340-Y356 HydrophobicContact CD1-CE2 3.92Å; L340-Y356 WeakPolarHBondContact CD1-OH 3.49Å; L340-D418 HydrophobicContact CD1-CB 4.42Å; L340-F421 HydrophobicContact CD2-CD1 3.45Å; L340-F421 VanDerWaalsContact CD2-CD1 3.45Å; L340-F421 HydrophobicContact CD2-CE1 4.04Å; L340-F421 HydrophobicContact CD2-CG 4.5Å; L340-V422 HydrophobicContact CD2-CG2 3.87Å
341	Q	78.6	Confident	78.7	Confident	103 Å²	103	88 Å²	88	48%	0.481	43%	0.425	S	S	.	.	I	π-helix	trans	-114.2	-43.7	-172.9	-56.2	178.8	-24.7	0	0	114.1	R337 K345	R337-Q341 WeakPolarHBondContact O-CB 3.46Å; Q341-K345 VanDerWaalsContact O-CD 3.31Å; Q341-K345 WeakPolarHBondContact O-CD 3.21Å; Q341-K345 WeakPolarHBondContact O-CE 3.44Å; Q341-K345 WeakPolarHBondContact O-CG 3.38Å
342	K	80.5	Confident	77.6	Confident	157 Å²	157	88.4 Å²	88.4	68%	0.683	43%	0.426	S	S	*	.	I	π-helix	trans	-89.3	-52.6	-175.6	-73.4	-145.9	175.1	-172	0	113.5	R337 F338 K345 L346	R337-K342 PolarHBondContact O-N 2.85Å; F338-K342 PolarHBondContact O-N 2.81Å; K342-K345 PolarHBondContact O-N 3.27Å; K342-L346 PolarHBondContact O-N 3.47Å
343	L	82.3	Confident	76.1	Confident	16 Å²	16	88.6 Å²	88.6	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-63.3	-42.9	-176.6	-88.6	164.1	0	0	0	114.8	F338 F339 K345 L346 L347 V425 I429	F338-L343 HydrophobicContact CD1-CD1 3.49Å; F338-L343 VanDerWaalsContact CD1-CD1 3.49Å; F338-L343 HydrophobicContact CD1-CG 4.38Å; F338-L343 HydrophobicContact CE1-CD1 3.23Å; F338-L343 HydrophobicContact CE1-CG 4.03Å; F338-L343 HydrophobicContact CG-CD1 4.25Å; F338-L343 HydrophobicContact CZ-CD1 3.79Å; F338-L343 HydrophobicContact CZ-CG 4.1Å; F338-L343 PolarHBondContact O-N 2.81Å; F339-L343 HydrophobicContact CD1-CD1 3.5Å; F339-L343 VanDerWaalsContact CD1-CD1 3.5Å; F339-L343 HydrophobicContact CE1-CD1 3.68Å; F339-L343 HydrophobicContact CG-CD1 4.09Å; F339-L343 HydrophobicContact CZ-CD1 4.43Å; L343-K345 VanDerWaalsContact C-N 3.25Å; L343-K345 PolarHBondContact O-N 2.96Å; L343-L346 WeakPolarHBondContact O-CB 3.49Å; L343-L346 PolarHBondContact O-N 2.9Å; L343-L346 VanDerWaalsContact O-N 3.07Å; L343-L347 HydrophobicContact CD2-CD1 4.44Å; L343-L347 PolarHBondContact O-N 2.92Å; L343-V425 HydrophobicContact CB-CG1 3.86Å; L343-V425 HydrophobicContact CD1-CG1 4.17Å; L343-I429 HydrophobicContact CD1-CD1 3.74Å; L343-I429 HydrophobicContact CD2-CD1 3.55Å; L343-I429 HydrophobicContact CD2-CG1 4.14Å; L343-I429 HydrophobicContact CG-CD1 4.24Å
344	P	80.8	Confident	74.6	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-62.5	-33.8	179.4	-26.4	37.4	0	0	0	112.6	F339 L347 C348 M349 F421 V425	F339-P344 WeakPolarHBondContact O-CD 3.23Å; F339-P344 WeakPolarHBondContact O-CG 3.41Å; P344-L347 CarbonylContact O-C 3.5Å; P344-L347 PolarHBondContact O-N 3.24Å; P344-C348 PolarHBondContact O-N 2.87Å; P344-M349 HydrophobicContact CB-CB 4.09Å; P344-M349 PolarHBondContact O-N 2.93Å; P344-F421 HydrophobicContact CB-CE1 4.4Å; P344-F421 HydrophobicContact CB-CZ 4.12Å; P344-F421 HydrophobicContact CG-CE1 3.68Å; P344-F421 HydrophobicContact CG-CZ 3.89Å; P344-V425 HydrophobicContact CG-CG2 4.13Å
345	K	78.7	Confident	73.1	Confident	148 Å²	148	88.1 Å²	88.1	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-67.9	-36.1	174.9	-66.2	-176.7	-176.5	-176.4	0	112.1	Q341 K342 L343	Q341-K345 VanDerWaalsContact O-CD 3.31Å; Q341-K345 WeakPolarHBondContact O-CD 3.21Å; Q341-K345 WeakPolarHBondContact O-CE 3.44Å; Q341-K345 WeakPolarHBondContact O-CG 3.38Å; K342-K345 PolarHBondContact O-N 3.27Å; L343-K345 VanDerWaalsContact C-N 3.25Å; L343-K345 PolarHBondContact O-N 2.96Å
346	L	82.3	Confident	71.5	Confident	139 Å²	139	90.8 Å²	90.8	73%	0.728	43%	0.426	S	S	*	.	H	α-helix	trans	-70.4	-37	175.1	-174.4	69.4	0	0	0	111.8	K342 L343 C348	K342-L346 PolarHBondContact O-N 3.47Å; L343-L346 WeakPolarHBondContact O-CB 3.49Å; L343-L346 PolarHBondContact O-N 2.9Å; L343-L346 VanDerWaalsContact O-N 3.07Å; L346-C348 VanDerWaalsContact C-N 3.34Å
347	L	78.5	Confident	69.4	Low	42 Å²	42	90.1 Å²	90.1	22%	0.22	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	8.1	-178.7	-66.3	163.2	0	0	0	113.7	L343 P344 M349 V425 I429	L343-L347 HydrophobicContact CD2-CD1 4.44Å; L343-L347 PolarHBondContact O-N 2.92Å; P344-L347 CarbonylContact O-C 3.5Å; P344-L347 PolarHBondContact O-N 3.24Å; L347-M349 VanDerWaalsContact C-N 3.27Å; L347-M349 HydrophobicContact CB-CG 4.43Å; L347-M349 PolarHBondContact O-N 2.94Å; L347-V425 HydrophobicContact CD1-CG1 4.09Å; L347-I429 HydrophobicContact CD1-CD1 4.42Å; L347-I429 HydrophobicContact CD1-CG1 3.68Å
348	C	79.1	Confident	67.1	Low	115 Å²	115	90 Å²	90	78%	0.777	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.2	-179	-65	0	0	0	0	115.4	P344 L346 K350	P344-C348 PolarHBondContact O-N 2.87Å; L346-C348 VanDerWaalsContact C-N 3.34Å; C348-K350 PolarHBondContact O-N 3.12Å
349	M	75.5	Confident	64.7	Low	35 Å²	35	90.4 Å²	90.4	17%	0.172	45%	0.45	C	S	.	.			trans	-84.1	104.1	174.1	-69.3	177.5	154	0	0	110.3	P344 L347 F421 V425 R428	P344-M349 HydrophobicContact CB-CB 4.09Å; P344-M349 PolarHBondContact O-N 2.93Å; L347-M349 VanDerWaalsContact C-N 3.27Å; L347-M349 HydrophobicContact CB-CG 4.43Å; L347-M349 PolarHBondContact O-N 2.94Å; M349-F421 HydrophobicContact SD-CE2 4.49Å; M349-F421 HydrophobicContact SD-CZ 4.37Å; M349-V425 HydrophobicContact SD-CG2 3.91Å; M349-R428 HydrophobicContact CE-CB 3.77Å; M349-R428 HydrophobicContact CE-CG 3.35Å
350	K	58.6	Low	62.4	Low	181 Å²	181	98 Å²	98	79%	0.787	49%	0.486	S	S	*	.			trans	-83.7	-30.4	-178.2	-94.2	178.8	171.5	176.7	0	114.5	C348 H352 V353	C348-K350 PolarHBondContact O-N 3.12Å; K350-H352 VanDerWaalsContact C-N 3.35Å; K350-H352 PolarHBondContact O-N 2.84Å; K350-V353 PolarHBondContact O-N 2.98Å
351	D	55.1	Low	59.9	Low	155 Å²	155	106.5 Å²	106.5	83%	0.829	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.6	-159.9	-132.2	16	0	0	0	115.9
352	H	53.7	Low	57.6	Low	38 Å²	38	109.8 Å²	109.8	18%	0.176	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-9.8	-175.9	-107.5	-86.1	0	0	0	114.9	K350 D354 F421	K350-H352 VanDerWaalsContact C-N 3.35Å; K350-H352 PolarHBondContact O-N 2.84Å; H352-D354 VanDerWaalsContact C-N 3.27Å; H352-F421 HydrophobicContact CB-CD2 3.75Å; H352-F421 HydrophobicContact CB-CE1 4.16Å; H352-F421 HydrophobicContact CB-CE2 3.37Å; H352-F421 HydrophobicContact CB-CG 4.29Å; H352-F421 HydrophobicContact CB-CZ 3.58Å; H352-F421 AromaticContact CD2-CD2 3.27Å; H352-F421 WeakPolarHBondContact CD2-CD2 3.49Å; H352-F421 AromaticContact CD2-CE2 3.64Å; H352-F421 AromaticContact CG-CD2 3.46Å; H352-F421 VanDerWaalsContact CG-CD2 3.46Å; H352-F421 AromaticContact CG-CE2 3.63Å; H352-F421 AromaticContact CG-CG 3.96Å; H352-F421 AromaticContact NE2-CD2 3.85Å
353	V	51.6	Low	55.3	Low	44 Å²	44	111.2 Å²	111.2	27%	0.267	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.1	178.6	-179.1	0	0	0	0	110.7	K350 R355 Y356 S357	K350-V353 PolarHBondContact O-N 2.98Å; V353-R355 VanDerWaalsContact C-N 3.33Å; V353-R355 PolarHBondContact O-N 2.7Å; V353-Y356 PolarHBondContact O-N 3.23Å; V353-S357 PolarHBondContact O-OG 2.95Å
354	D	50.8	Low	52.8	Low	111 Å²	111	115.2 Å²	115.2	59%	0.594	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-23.4	-179.2	-66.2	-17.1	0	0	0	112.8	H352 Y356 S357	H352-D354 VanDerWaalsContact C-N 3.27Å; D354-Y356 VanDerWaalsContact C-N 3.3Å; D354-Y356 PolarHBondContact O-N 2.96Å; D354-S357 VanDerWaalsContact CA-OG 3.24Å; D354-S357 WeakPolarHBondContact CA-OG 3.32Å; D354-S357 PolarHBondContact O-OG 3.09Å
355	R	53.4	Low	50.2	Low	147 Å²	147	122.7 Å²	122.7	56%	0.555	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-24	177.1	-158.5	176.7	-131.8	170.4	6.5	113.3	V353	V353-R355 VanDerWaalsContact C-N 3.33Å; V353-R355 PolarHBondContact O-N 2.7Å
356	Y	50.7	Low	47.9	Very low	70 Å²	70	121.4 Å²	121.4	28%	0.275	62%	0.618	S	S	.	*	S	Bend	trans	-101.1	-7.9	-178.1	-83.6	-74.3	0	0	0	114.3	L340 V353 D354 D418	L340-Y356 HydrophobicContact CD1-CE2 3.92Å; L340-Y356 WeakPolarHBondContact CD1-OH 3.49Å; V353-Y356 PolarHBondContact O-N 3.23Å; D354-Y356 VanDerWaalsContact C-N 3.3Å; D354-Y356 PolarHBondContact O-N 2.96Å; Y356-D418 PolarHBondContact OH-OD1 3.09Å; Y356-D418 PolarHBondContact OH-OD2 3.19Å
357	S	38.1	Very low	45.6	Very low	74 Å²	74	119.3 Å²	119.3	52%	0.517	61%	0.611	S	S	.	*			trans	-94.1	9.1	-176.6	30.9	0	0	0	0	113.8	V353 D354 P359	V353-S357 PolarHBondContact O-OG 2.95Å; D354-S357 VanDerWaalsContact CA-OG 3.24Å; D354-S357 WeakPolarHBondContact CA-OG 3.32Å; D354-S357 PolarHBondContact O-OG 3.09Å; S357-P359 VanDerWaalsContact O-CD 3.27Å; S357-P359 WeakPolarHBondContact O-CD 3.49Å
358	F	32.9	Very low	43.6	Very low	173 Å²	173	123.6 Å²	123.6	76%	0.759	64%	0.638	S	S	*	*	S	Bend	trans	-68.5	115.4	156.6	-76.8	-82.1	0	0	0	108.4	E360	F358-E360 PolarHBondContact O-N 3.21Å
359	P	34.9	Very low	41.3	Very low	111 Å²	111	127 Å²	127	72%	0.721	64%	0.639	S	S	*	*			trans	-60.5	132.4	168.9	-4.2	18.6	0	0	0	106.7	S357 K361	S357-P359 VanDerWaalsContact O-CD 3.27Å; S357-P359 WeakPolarHBondContact O-CD 3.49Å; P359-K361 PolarHBondContact O-N 3.42Å
360	E	34.7	Very low	39.2	Very low	187 Å²	187	127.9 Å²	127.9	87%	0.874	66%	0.658	S	S	*	*			trans	-56.8	82.8	161.2	-162.8	170.8	-155.2	0	0	107	F358 E362	F358-E360 PolarHBondContact O-N 3.21Å; E360-E362 PolarHBondContact O-N 3.04Å
361	K	27.4	Very low	37.8	Very low	190 Å²	190	128.8 Å²	128.8	83%	0.826	66%	0.662	S	S	*	*			trans	-63.4	105.2	153.9	-87.9	-173	177.6	179.4	0	103	P359 E363	P359-K361 PolarHBondContact O-N 3.42Å; K361-E363 VanDerWaalsContact C-N 3.32Å; K361-E363 PolarHBondContact O-N 3.16Å
362	E	31	Very low	36.9	Very low	172 Å²	172	127.8 Å²	127.8	80%	0.804	66%	0.661	S	S	*	*			trans	-40	105.4	161.4	-73.7	179.9	142.5	0	0	107.1	E360 S364	E360-E362 PolarHBondContact O-N 3.04Å; E362-S364 PolarHBondContact O-N 3.27Å
363	E	30.6	Very low	35.9	Very low	187 Å²	187	133.8 Å²	133.8	87%	0.874	69%	0.694	S	S	*	*			trans	-66.2	81.4	155.6	-88.5	-174.9	155.1	0	0	104.8	K361 Q365	K361-E363 VanDerWaalsContact C-N 3.32Å; K361-E363 PolarHBondContact O-N 3.16Å; E363-Q365 PolarHBondContact O-N 2.84Å
364	S	29.4	Very low	35.3	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	72%	0.722	S	S	*	*			trans	-47	111.8	157.2	51.8	0	0	0	0	105.8	E362	E362-S364 PolarHBondContact O-N 3.27Å
365	Q	27.8	Very low	34.4	Very low	158 Å²	158	144.8 Å²	144.8	74%	0.738	73%	0.733	S	S	*	*			trans	-39	130	170.8	-65.5	177.5	-11.3	0	0	108.6	E363 V367	E363-Q365 PolarHBondContact O-N 2.84Å; Q365-V367 HydrophobicContact CB-CG2 4.36Å; Q365-V367 PolarHBondContact O-N 3.32Å
366	P	30.7	Very low	33.5	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	75%	0.747	S	S	*	*			trans	-68.3	92	160.7	28.7	-27.8	0	0	0	105	V368	P366-V368 PolarHBondContact O-N 3.44Å
367	V	33.1	Very low	32.6	Very low	96 Å²	96	153.6 Å²	153.6	58%	0.582	78%	0.776	S	S	*	*			trans	-63.1	93.4	163.9	-177.4	0	0	0	0	104.7	Q365 K369	Q365-V367 HydrophobicContact CB-CG2 4.36Å; Q365-V367 PolarHBondContact O-N 3.32Å; V367-K369 HydrophobicContact CG1-CG 3.78Å; V367-K369 PolarHBondContact O-N 2.97Å
368	V	36	Very low	32.8	Very low	131 Å²	131	159.6 Å²	159.6	79%	0.794	80%	0.796	S	S	*	*			trans	-64.6	86.4	165.4	179.8	0	0	0	0	105.8	P366 G370	P366-V368 PolarHBondContact O-N 3.44Å; V368-G370 PolarHBondContact O-N 3.13Å
369	K	31.1	Very low	33.1	Very low	186 Å²	186	160.7 Å²	160.7	81%	0.809	80%	0.801	S	S	*	*			trans	-70.2	72.7	165.9	-80.3	-173.3	176.3	171.6	0	108	V367 K371	V367-K369 HydrophobicContact CG1-CG 3.78Å; V367-K369 PolarHBondContact O-N 2.97Å; K369-K371 PolarHBondContact O-N 2.82Å; K369-K371 VanDerWaalsContact O-N 3.1Å
370	G	31.2	Very low	33.6	Very low	55 Å²	55	165 Å²	165	57%	0.567	81%	0.812	S	S	*	*			trans	-71.7	94.4	160.3	0	0	0	0	0	108.4	V368 V372	V368-G370 PolarHBondContact O-N 3.13Å; G370-V372 PolarHBondContact O-N 3.18Å
371	K	30.8	Very low	34.3	Very low	200 Å²	200	160 Å²	160	87%	0.87	79%	0.79	S	S	*	*			trans	-63.2	86.6	160.7	-79.9	-177.8	176.7	177.2	0	107.7	K369 L373	K369-K371 PolarHBondContact O-N 2.82Å; K369-K371 VanDerWaalsContact O-N 3.1Å; K371-L373 PolarHBondContact O-N 2.8Å
372	V	34.7	Very low	35.7	Very low	133 Å²	133	154.8 Å²	154.8	81%	0.806	78%	0.777	S	S	*	*			trans	-80.7	97.7	164.6	-179.6	0	0	0	0	107	G370 K374	G370-V372 PolarHBondContact O-N 3.18Å; V372-K374 PolarHBondContact O-N 2.91Å; V372-K374 VanDerWaalsContact O-N 3.14Å
373	L	33.2	Very low	37.2	Very low	164 Å²	164	152.5 Å²	152.5	86%	0.859	77%	0.771	S	S	*	*			trans	-57	110.3	171.3	-147.8	80.5	0	0	0	108.6	K371 K375	K371-L373 PolarHBondContact O-N 2.8Å; L373-K375 PolarHBondContact O-N 2.9Å; L373-K375 VanDerWaalsContact O-N 3.16Å
374	K	38.2	Very low	38.8	Very low	198 Å²	198	146 Å²	146	86%	0.861	75%	0.754	S	S	*	*			trans	-67.3	109.7	166.7	-83.4	-174.2	176.2	178.4	0	108.8	V372	V372-K374 PolarHBondContact O-N 2.91Å; V372-K374 VanDerWaalsContact O-N 3.14Å
375	K	31.9	Very low	40.7	Very low	189 Å²	189	146 Å²	146	82%	0.822	74%	0.743	S	S	*	*				-175.3	123.9	128.3	-104.7	169.6	-179	175	0	113.2	L373	L373-K375 PolarHBondContact O-N 2.9Å; L373-K375 VanDerWaalsContact O-N 3.16Å
376	K	36.2	Very low	42.7	Very low	195 Å²	195	144 Å²	144	85%	0.848	73%	0.731	S	S	*	*			trans	57	105.6	147	-69.5	-177.6	172.9	-176.4	0	118.6
377	K	31.7	Very low	44.9	Very low	206 Å²	206	142.9 Å²	142.9	90%	0.896	72%	0.722	S	S	*	*				-163.3	117.6	114.8	-112.4	173.7	-179	176.1	0	110.7	K379	K377-K379 PolarHBondContact O-N 3.49Å
378	Q	41.1	Very low	47.1	Very low	201 Å²	201	143.2 Å²	143.2	94%	0.939	72%	0.72	S	S	*	*			trans	-68.1	111.2	167.3	-162.2	155.9	-2.8	0	0	107.1
379	K	39.1	Very low	49.3	Very low	196 Å²	196	140.9 Å²	140.9	85%	0.852	71%	0.706	S	S	*	*			trans	-125.1	125	163.1	-119.6	-178.8	177.9	-175.1	0	105.6	K377 L381	K377-K379 PolarHBondContact O-N 3.49Å; K379-L381 PolarHBondContact O-N 2.9Å
380	Q	45.8	Very low	51.7	Low	202 Å²	202	134.7 Å²	134.7	94%	0.944	69%	0.69	S	S	*	*			trans	-55.7	110	175.4	-77.1	-177.1	-8.4	0	0	108.2
381	L	49.9	Very low	54.3	Low	82 Å²	82	138.8 Å²	138.8	43%	0.429	69%	0.692	S	S	.	*			trans	-78	129.3	173.7	-158.7	75.6	0	0	0	107.4	K379 E385 K386	K379-L381 PolarHBondContact O-N 2.9Å; L381-E385 HydrophobicContact CD1-CB 4.12Å; L381-E385 WeakPolarHBondContact CD1-OE2 3.29Å; L381-E385 HydrophobicContact CD2-CB 3.87Å; L381-E385 HydrophobicContact CG-CB 3.65Å; L381-E385 WeakPolarHBondContact CG-OE2 3.38Å; L381-K386 HydrophobicContact CB-CG 4.45Å; L381-K386 HydrophobicContact CD2-CG 3.89Å
382	S	56.7	Low	57	Low	79 Å²	79	134.2 Å²	134.2	55%	0.552	68%	0.677	S	S	*	*			trans	-59.4	145.7	-179.5	-177.4	0	0	0	0	110	G384 E385 K386	S382-G384 PolarHBondContact O-N 3.38Å; S382-G384 VanDerWaalsContact O-N 3.09Å; S382-E385 PolarHBondContact N-OE2 2.67Å; S382-E385 PolarHBondContact O-N 2.81Å; S382-K386 PolarHBondContact O-N 2.88Å
383	D	62.3	Low	59.4	Low	125 Å²	125	133.9 Å²	133.9	67%	0.668	67%	0.666	S	S	*	*	H	α-helix	trans	-55.4	-32.2	-175.5	-151.8	32.4	0	0	0	111.9	K386 V387	D383-K386 PolarHBondContact O-N 3.08Å; D383-V387 WeakPolarHBondContact O-CG2 3.31Å; D383-V387 PolarHBondContact O-N 2.9Å
384	G	65.1	Low	62	Low	50 Å²	50	133.5 Å²	133.5	52%	0.515	66%	0.658	S	S	.	*	H	α-helix	trans	-68.3	-30.9	174.7	0	0	0	0	0	115.7	S382 L388	S382-G384 PolarHBondContact O-N 3.38Å; S382-G384 VanDerWaalsContact O-N 3.09Å; G384-L388 PolarHBondContact O-N 2.87Å; G384-L388 VanDerWaalsContact O-N 3.09Å
385	E	67.8	Low	64.4	Low	99 Å²	99	125.8 Å²	125.8	46%	0.463	63%	0.631	S	S	.	*	H	α-helix	trans	-76.5	-31.8	177.6	-78.7	174	135.3	0	0	111.6	L381 S382 L388 V389	L381-E385 HydrophobicContact CD1-CB 4.12Å; L381-E385 WeakPolarHBondContact CD1-OE2 3.29Å; L381-E385 HydrophobicContact CD2-CB 3.87Å; L381-E385 HydrophobicContact CG-CB 3.65Å; L381-E385 WeakPolarHBondContact CG-OE2 3.38Å; S382-E385 PolarHBondContact N-OE2 2.67Å; S382-E385 PolarHBondContact O-N 2.81Å; E385-L388 PolarHBondContact O-N 3.07Å; E385-V389 WeakPolarHBondContact O-CG2 3.44Å; E385-V389 PolarHBondContact O-N 2.7Å
386	K	70.6	Confident	67.1	Low	116 Å²	116	119.4 Å²	119.4	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-66.7	-40.1	172	-66.5	179.9	-173.3	169.5	0	111.5	L381 S382 D383 L388 V389 A390	L381-K386 HydrophobicContact CB-CG 4.45Å; L381-K386 HydrophobicContact CD2-CG 3.89Å; S382-K386 PolarHBondContact O-N 2.88Å; D383-K386 PolarHBondContact O-N 3.08Å; K386-L388 VanDerWaalsContact C-N 3.34Å; K386-V389 PolarHBondContact O-N 2.96Å; K386-A390 WeakPolarHBondContact O-CB 3.46Å; K386-A390 PolarHBondContact O-N 3.08Å
387	V	77.6	Confident	69.5	Low	97 Å²	97	114.3 Å²	114.3	59%	0.588	60%	0.596	S	S	*	*	H	α-helix	trans	-63.4	-40.6	174.6	173.4	0	0	0	0	110.9	D383 A390 F391	D383-V387 WeakPolarHBondContact O-CG2 3.31Å; D383-V387 PolarHBondContact O-N 2.9Å; V387-A390 PolarHBondContact O-N 2.89Å; V387-F391 WeakPolarHBondContact O-CB 3.48Å; V387-F391 PolarHBondContact O-N 2.55Å
388	L	79.3	Confident	72.2	Confident	103 Å²	103	107.6 Å²	107.6	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-65.3	-43.9	176.6	-173.7	68.5	0	0	0	112.5	G384 E385 K386 F391 L392	G384-L388 PolarHBondContact O-N 2.87Å; G384-L388 VanDerWaalsContact O-N 3.09Å; E385-L388 PolarHBondContact O-N 3.07Å; K386-L388 VanDerWaalsContact C-N 3.34Å; L388-F391 PolarHBondContact O-N 3Å; L388-L392 HydrophobicContact CG-CD1 4.41Å; L388-L392 WeakPolarHBondContact O-CG 3.34Å; L388-L392 PolarHBondContact O-N 3.32Å
389	V	81.4	Confident	74.6	Confident	83 Å²	83	103.5 Å²	103.5	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-64.5	-43.1	176.5	172.4	0	0	0	0	111	E385 K386 F391 L392 E393	E385-V389 WeakPolarHBondContact O-CG2 3.44Å; E385-V389 PolarHBondContact O-N 2.7Å; K386-V389 PolarHBondContact O-N 2.96Å; V389-F391 VanDerWaalsContact C-N 3.32Å; V389-F391 PolarHBondContact O-N 3.15Å; V389-L392 PolarHBondContact O-N 2.88Å; V389-E393 WeakPolarHBondContact O-CB 3.4Å; V389-E393 PolarHBondContact O-N 3.36Å
390	A	81.7	Confident	77	Confident	56 Å²	56	101.5 Å²	101.5	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-36.6	175.7	0	0	0	0	0	112.4	K386 V387 K394	K386-A390 WeakPolarHBondContact O-CB 3.46Å; K386-A390 PolarHBondContact O-N 3.08Å; V387-A390 PolarHBondContact O-N 2.89Å; A390-K394 WeakPolarHBondContact O-CB 3.31Å; A390-K394 PolarHBondContact O-N 2.66Å; A390-K394 VanDerWaalsContact O-N 3.08Å
391	F	86.1	Confident	79.2	Confident	141 Å²	141	99.1 Å²	99.1	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-66.1	-44.3	174.2	-178.3	-96.2	0	0	0	112.1	V387 L388 V389 K394 A395	V387-F391 WeakPolarHBondContact O-CB 3.48Å; V387-F391 PolarHBondContact O-N 2.55Å; L388-F391 PolarHBondContact O-N 3Å; V389-F391 VanDerWaalsContact C-N 3.32Å; V389-F391 PolarHBondContact O-N 3.15Å; F391-K394 PolarHBondContact O-N 3.49Å; F391-A395 WeakPolarHBondContact O-CB 3.47Å; F391-A395 PolarHBondContact O-N 2.86Å
392	L	86.9	Confident	81.1	Confident	103 Å²	103	100 Å²	100	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-64.2	-38.1	176.5	-73.1	171.2	0	0	0	112.6	L388 V389 A395 A396	L388-L392 HydrophobicContact CG-CD1 4.41Å; L388-L392 WeakPolarHBondContact O-CG 3.34Å; L388-L392 PolarHBondContact O-N 3.32Å; V389-L392 PolarHBondContact O-N 2.88Å; L392-A395 PolarHBondContact O-N 3.48Å; L392-A396 WeakPolarHBondContact O-CB 3.45Å; L392-A396 PolarHBondContact O-N 2.83Å
393	E	85.9	Confident	82.7	Confident	126 Å²	126	99.9 Å²	99.9	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-65.4	-43.1	175.6	-167.8	166.9	-161	0	0	111.3	V389 A395 A396 D397	V389-E393 WeakPolarHBondContact O-CB 3.4Å; V389-E393 PolarHBondContact O-N 3.36Å; E393-A395 PolarHBondContact O-N 3.28Å; E393-A396 PolarHBondContact O-N 3.3Å; E393-D397 PolarHBondContact O-N 3.06Å
394	K	87.1	Confident	83.8	Confident	156 Å²	156	101.2 Å²	101.2	68%	0.678	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-36.6	175.8	-152.4	178.1	-171.4	-178.6	0	112.7	A390 F391 S398	A390-K394 WeakPolarHBondContact O-CB 3.31Å; A390-K394 PolarHBondContact O-N 2.66Å; A390-K394 VanDerWaalsContact O-N 3.08Å; F391-K394 PolarHBondContact O-N 3.49Å; K394-S398 PolarHBondContact O-N 2.78Å; K394-S398 PolarHBondContact O-OG 2.9Å
395	A	89.2	Confident	84.8	Confident	37 Å²	37	103.1 Å²	103.1	31%	0.306	52%	0.523	S	S	.	.	H	α-helix	trans	-67.9	-43	173	0	0	0	0	0	111.8	F391 L392 E393 D397 S398 I399	F391-A395 WeakPolarHBondContact O-CB 3.47Å; F391-A395 PolarHBondContact O-N 2.86Å; L392-A395 PolarHBondContact O-N 3.48Å; E393-A395 PolarHBondContact O-N 3.28Å; A395-D397 VanDerWaalsContact C-N 3.34Å; A395-D397 PolarHBondContact O-N 3.03Å; A395-S398 WeakPolarHBondContact O-CB 3.44Å; A395-S398 PolarHBondContact O-N 2.86Å; A395-I399 WeakPolarHBondContact O-CG1 3.45Å; A395-I399 PolarHBondContact O-N 2.84Å
396	A	88.8	Confident	85.7	Confident	55 Å²	55	102.5 Å²	102.5	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-41	175.3	0	0	0	0	0	112	L392 E393 I399 R400	L392-A396 WeakPolarHBondContact O-CB 3.45Å; L392-A396 PolarHBondContact O-N 2.83Å; E393-A396 PolarHBondContact O-N 3.3Å; A396-I399 PolarHBondContact O-N 2.79Å; A396-R400 WeakPolarHBondContact O-CB 3.49Å; A396-R400 PolarHBondContact O-N 2.88Å
397	D	86.3	Confident	86.4	Confident	88 Å²	88	104.5 Å²	104.5	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-66.3	-37.3	175.3	-84.6	-18.5	0	0	0	112.6	E393 A395 R400 Y401	E393-D397 PolarHBondContact O-N 3.06Å; A395-D397 VanDerWaalsContact C-N 3.34Å; A395-D397 PolarHBondContact O-N 3.03Å; D397-R400 PolarHBondContact O-N 2.79Å; D397-Y401 WeakPolarHBondContact O-CB 3.35Å; D397-Y401 PolarHBondContact O-N 2.87Å
398	S	87.3	Confident	86.6	Confident	64 Å²	64	106.6 Å²	106.6	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-44.6	174	-58.3	0	0	0	0	111.4	K394 A395 R400 Y401 I402	K394-S398 PolarHBondContact O-N 2.78Å; K394-S398 PolarHBondContact O-OG 2.9Å; A395-S398 WeakPolarHBondContact O-CB 3.44Å; A395-S398 PolarHBondContact O-N 2.86Å; S398-R400 VanDerWaalsContact C-N 3.31Å; S398-R400 PolarHBondContact O-N 2.88Å; S398-Y401 PolarHBondContact O-N 2.9Å; S398-I402 WeakPolarHBondContact O-CD1 3.46Å; S398-I402 VanDerWaalsContact O-CG1 3.24Å; S398-I402 WeakPolarHBondContact O-CG1 3.44Å; S398-I402 PolarHBondContact O-N 2.77Å
399	I	91.7	Very high	86.7	Confident	116 Å²	116	107.5 Å²	107.5	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-62.7	-39.9	174.5	-67.6	166.1	0	0	0	110.7	A395 A396 I402 S403	A395-I399 WeakPolarHBondContact O-CG1 3.45Å; A395-I399 PolarHBondContact O-N 2.84Å; A396-I399 PolarHBondContact O-N 2.79Å; I399-I402 PolarHBondContact O-N 3.22Å; I399-S403 VanDerWaalsContact O-CB 3.27Å; I399-S403 WeakPolarHBondContact O-CB 3.29Å; I399-S403 PolarHBondContact O-N 3.03Å
400	R	89.7	Confident	86.8	Confident	153 Å²	153	109.7 Å²	109.7	58%	0.577	54%	0.541	S	S	*	.	H	α-helix	trans	-67.5	-37.2	178.1	-150.8	173.2	-161.5	166	8.6	111.8	A396 D397 S398 R404	A396-R400 WeakPolarHBondContact O-CB 3.49Å; A396-R400 PolarHBondContact O-N 2.88Å; D397-R400 PolarHBondContact O-N 2.79Å; S398-R400 VanDerWaalsContact C-N 3.31Å; S398-R400 PolarHBondContact O-N 2.88Å; R400-R404 WeakPolarHBondContact O-CB 3.37Å; R400-R404 VanDerWaalsContact O-CG 3.29Å; R400-R404 WeakPolarHBondContact O-CG 3.48Å; R400-R404 PolarHBondContact O-N 2.92Å
401	Y	91.2	Very high	86.8	Confident	152 Å²	152	112.9 Å²	112.9	60%	0.596	55%	0.545	S	S	*	.	H	α-helix	trans	-64.3	-49.7	172.2	178.2	-94.4	0	0	0	111	D397 S398 S403 R404 H405	D397-Y401 WeakPolarHBondContact O-CB 3.35Å; D397-Y401 PolarHBondContact O-N 2.87Å; S398-Y401 PolarHBondContact O-N 2.9Å; Y401-S403 PolarHBondContact O-N 2.97Å; Y401-R404 PolarHBondContact O-N 3.07Å; Y401-H405 VanDerWaalsContact O-CB 3.32Å; Y401-H405 WeakPolarHBondContact O-CB 3.28Å; Y401-H405 PolarHBondContact O-N 2.76Å
402	I	89.8	Confident	86.5	Confident	101 Å²	101	108 Å²	108	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-58.6	-48.6	177.1	-66.5	162.9	0	0	0	110.4	S398 I399 R404 H405 V406	S398-I402 WeakPolarHBondContact O-CD1 3.46Å; S398-I402 VanDerWaalsContact O-CG1 3.24Å; S398-I402 WeakPolarHBondContact O-CG1 3.44Å; S398-I402 PolarHBondContact O-N 2.77Å; I399-I402 PolarHBondContact O-N 3.22Å; I402-R404 PolarHBondContact O-N 3.23Å; I402-H405 PolarHBondContact O-N 3.01Å; I402-H405 VanDerWaalsContact O-N 3.15Å; I402-V406 HydrophobicContact CG2-CG2 4.13Å; I402-V406 WeakPolarHBondContact O-CB 3.45Å; I402-V406 VanDerWaalsContact O-CG2 3.27Å; I402-V406 WeakPolarHBondContact O-CG2 3.42Å; I402-V406 PolarHBondContact O-N 3.15Å
403	S	90.6	Very high	86.1	Confident	76 Å²	76	106.3 Å²	106.3	53%	0.531	52%	0.521	S	S	.	.	H	α-helix	trans	-58.3	-44.8	177.9	176.9	0	0	0	0	112.3	I399 Y401 K407	I399-S403 VanDerWaalsContact O-CB 3.27Å; I399-S403 WeakPolarHBondContact O-CB 3.29Å; I399-S403 PolarHBondContact O-N 3.03Å; Y401-S403 PolarHBondContact O-N 2.97Å; S403-K407 VanDerWaalsContact O-CB 3.29Å; S403-K407 WeakPolarHBondContact O-CB 3.29Å; S403-K407 PolarHBondContact O-N 3.05Å
404	R	85.3	Confident	85.9	Confident	154 Å²	154	103.7 Å²	103.7	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-65.6	-39.7	175.4	-74.7	-177.3	-144.4	153.3	5.1	112.1	R400 Y401 I402 K407 K408	R400-R404 WeakPolarHBondContact O-CB 3.37Å; R400-R404 VanDerWaalsContact O-CG 3.29Å; R400-R404 WeakPolarHBondContact O-CG 3.48Å; R400-R404 PolarHBondContact O-N 2.92Å; Y401-R404 PolarHBondContact O-N 3.07Å; I402-R404 PolarHBondContact O-N 3.23Å; R404-K407 PolarHBondContact O-N 2.58Å; R404-K408 WeakPolarHBondContact O-CB 3.33Å; R404-K408 PolarHBondContact O-N 3.37Å
405	H	87.1	Confident	85.6	Confident	90 Å²	90	97.3 Å²	97.3	42%	0.417	48%	0.483	S	S	.	.	H	α-helix	trans	-66.4	-48.1	179.9	-165.9	83.2	0	0	0	111	Y401 I402 K407 K408 E409	Y401-H405 VanDerWaalsContact O-CB 3.32Å; Y401-H405 WeakPolarHBondContact O-CB 3.28Å; Y401-H405 PolarHBondContact O-N 2.76Å; I402-H405 PolarHBondContact O-N 3.01Å; I402-H405 VanDerWaalsContact O-N 3.15Å; H405-K407 VanDerWaalsContact C-N 3.34Å; H405-K407 PolarHBondContact O-N 2.76Å; H405-K408 PolarHBondContact O-N 3.37Å; H405-K408 VanDerWaalsContact O-N 3.15Å; H405-E409 PolarHBondContact O-N 2.8Å
406	V	86.4	Confident	85.4	Confident	85 Å²	85	97.1 Å²	97.1	52%	0.515	48%	0.478	S	S	.	.	H	α-helix	trans	-59.7	-43.3	174.4	172.5	0	0	0	0	111	I402 K408 E409 H410	I402-V406 HydrophobicContact CG2-CG2 4.13Å; I402-V406 WeakPolarHBondContact O-CB 3.45Å; I402-V406 VanDerWaalsContact O-CG2 3.27Å; I402-V406 WeakPolarHBondContact O-CG2 3.42Å; I402-V406 PolarHBondContact O-N 3.15Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 3.28Å; V406-E409 PolarHBondContact O-N 3.2Å; V406-H410 VanDerWaalsContact O-CB 3.32Å; V406-H410 WeakPolarHBondContact O-CB 3.3Å; V406-H410 PolarHBondContact O-N 3.47Å
407	K	84.6	Confident	85.1	Confident	159 Å²	159	97.8 Å²	97.8	69%	0.691	47%	0.472	S	S	*	.	H	α-helix	trans	-63.6	-38.9	176.2	-170.3	170.4	-175.9	169.1	0	112.1	S403 R404 H405 F411	S403-K407 VanDerWaalsContact O-CB 3.29Å; S403-K407 WeakPolarHBondContact O-CB 3.29Å; S403-K407 PolarHBondContact O-N 3.05Å; R404-K407 PolarHBondContact O-N 2.58Å; H405-K407 VanDerWaalsContact C-N 3.34Å; H405-K407 PolarHBondContact O-N 2.76Å; K407-F411 WeakPolarHBondContact O-CB 3.4Å; K407-F411 PolarHBondContact O-N 2.58Å
408	K	82.3	Confident	85	Confident	141 Å²	141	94.2 Å²	94.2	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-68.6	-45.8	176.9	-172.5	-177.8	178.3	-175.4	0	111.5	R404 H405 V406 H410 F411 I412	R404-K408 WeakPolarHBondContact O-CB 3.33Å; R404-K408 PolarHBondContact O-N 3.37Å; H405-K408 PolarHBondContact O-N 3.37Å; H405-K408 VanDerWaalsContact O-N 3.15Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 3.28Å; K408-H410 VanDerWaalsContact C-N 3.34Å; K408-F411 PolarHBondContact O-N 2.97Å; K408-I412 HydrophobicContact CG-CD1 4.01Å; K408-I412 WeakPolarHBondContact O-CD1 3.5Å; K408-I412 VanDerWaalsContact O-CG1 3.27Å; K408-I412 WeakPolarHBondContact O-CG1 3.39Å; K408-I412 PolarHBondContact O-N 2.81Å
409	E	81.7	Confident	84.9	Confident	122 Å²	122	92 Å²	92	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-60.7	-43.1	174.7	-81.5	-138.7	135.7	0	0	112	H405 V406 F411 I412 S413	H405-E409 PolarHBondContact O-N 2.8Å; V406-E409 PolarHBondContact O-N 3.2Å; E409-F411 VanDerWaalsContact C-N 3.32Å; E409-F411 PolarHBondContact O-N 3.12Å; E409-I412 PolarHBondContact O-N 3.39Å; E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 2.86Å
410	H	82.8	Confident	84.7	Confident	128 Å²	128	88.9 Å²	88.9	59%	0.593	42%	0.417	S	S	*	.	H	α-helix	trans	-62.2	-41.6	177	-167.2	-40.3	0	0	0	111.4	V406 K408 S413 Q414	V406-H410 VanDerWaalsContact O-CB 3.32Å; V406-H410 WeakPolarHBondContact O-CB 3.3Å; V406-H410 PolarHBondContact O-N 3.47Å; K408-H410 VanDerWaalsContact C-N 3.34Å; H410-S413 PolarHBondContact O-N 3Å; H410-Q414 WeakPolarHBondContact O-CB 3.41Å; H410-Q414 PolarHBondContact O-N 2.83Å
411	F	81.3	Confident	84.6	Confident	124 Å²	124	82 Å²	82	54%	0.544	39%	0.391	S	S	.	.	H	α-helix	trans	-62.8	-44.4	175.2	178.2	-97.1	0	0	0	111.8	K407 K408 E409 Q414 V415	K407-F411 WeakPolarHBondContact O-CB 3.4Å; K407-F411 PolarHBondContact O-N 2.58Å; K408-F411 PolarHBondContact O-N 2.97Å; E409-F411 VanDerWaalsContact C-N 3.32Å; E409-F411 PolarHBondContact O-N 3.12Å; F411-Q414 PolarHBondContact O-N 3.14Å; F411-V415 HydrophobicContact CD1-CG2 4.35Å; F411-V415 HydrophobicContact CE1-CG2 3.92Å; F411-V415 HydrophobicContact CE2-CG2 4.34Å; F411-V415 HydrophobicContact CZ-CG2 3.92Å; F411-V415 WeakPolarHBondContact O-CG2 3.4Å; F411-V415 PolarHBondContact O-N 3.08Å
412	I	79.8	Confident	84.4	Confident	39 Å²	39	75 Å²	75	20%	0.2	36%	0.364	C	S	.	.	H	α-helix	trans	-60.7	-49.1	177	-70.3	163.9	0	0	0	110.5	Y328 K408 E409 Q414 V415 V416	Y328-I412 HydrophobicContact CD1-CD1 4.24Å; Y328-I412 HydrophobicContact CD1-CG1 3.95Å; Y328-I412 HydrophobicContact CD1-CG2 4.33Å; Y328-I412 HydrophobicContact CE1-CB 4.32Å; Y328-I412 HydrophobicContact CE1-CD1 3.6Å; Y328-I412 HydrophobicContact CE1-CG1 3.67Å; Y328-I412 HydrophobicContact CE1-CG2 3.68Å; K408-I412 HydrophobicContact CG-CD1 4.01Å; K408-I412 WeakPolarHBondContact O-CD1 3.5Å; K408-I412 VanDerWaalsContact O-CG1 3.27Å; K408-I412 WeakPolarHBondContact O-CG1 3.39Å; K408-I412 PolarHBondContact O-N 2.81Å; E409-I412 PolarHBondContact O-N 3.39Å; I412-Q414 VanDerWaalsContact C-N 3.27Å; I412-Q414 PolarHBondContact O-N 3.2Å; I412-V415 PolarHBondContact O-N 2.86Å; I412-V416 HydrophobicContact CG2-CG2 4.46Å; I412-V416 WeakPolarHBondContact O-CG2 3.26Å; I412-V416 PolarHBondContact O-N 3.07Å
413	S	79.9	Confident	84.4	Confident	66 Å²	66	70.1 Å²	70.1	46%	0.462	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-41.4	178.3	-174.8	0	0	0	0	111.2	E409 H410 V416 Q417	E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 2.86Å; H410-S413 PolarHBondContact O-N 3Å; S413-V416 PolarHBondContact O-N 2.84Å; S413-Q417 WeakPolarHBondContact O-CB 3.24Å; S413-Q417 WeakPolarHBondContact O-CG 3.31Å; S413-Q417 PolarHBondContact O-N 3.43Å
414	Q	81.3	Confident	84.3	Confident	72 Å²	72	70.6 Å²	70.6	34%	0.336	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-45.8	176.1	-171.6	175.2	1.8	0	0	112.5	H410 F411 I412 V416 Q417 D418	H410-Q414 WeakPolarHBondContact O-CB 3.41Å; H410-Q414 PolarHBondContact O-N 2.83Å; F411-Q414 PolarHBondContact O-N 3.14Å; I412-Q414 VanDerWaalsContact C-N 3.27Å; I412-Q414 PolarHBondContact O-N 3.2Å; Q414-V416 VanDerWaalsContact C-N 3.33Å; Q414-V416 PolarHBondContact O-N 2.98Å; Q414-Q417 PolarHBondContact O-N 3.31Å; Q414-D418 VanDerWaalsContact O-CG 3.26Å; Q414-D418 PolarHBondContact O-N 3.29Å
415	V	81.7	Confident	84.5	Confident	22 Å²	22	63.3 Å²	63.3	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-39.6	177.6	175.1	0	0	0	0	111.3	F411 I412 D418 W419	F411-V415 HydrophobicContact CD1-CG2 4.35Å; F411-V415 HydrophobicContact CE1-CG2 3.92Å; F411-V415 HydrophobicContact CE2-CG2 4.34Å; F411-V415 HydrophobicContact CZ-CG2 3.92Å; F411-V415 WeakPolarHBondContact O-CG2 3.4Å; F411-V415 PolarHBondContact O-N 3.08Å; I412-V415 PolarHBondContact O-N 2.86Å; V415-D418 PolarHBondContact O-N 2.83Å; V415-W419 VanDerWaalsContact O-CD1 3.27Å; V415-W419 PolarHBondContact O-N 3.18Å; V415-W419 VanDerWaalsContact O-N 3.1Å
416	V	83.1	Confident	84.6	Confident	33 Å²	33	59.7 Å²	59.7	20%	0.2	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-48.4	174.6	172	0	0	0	0	110.5	S324 I412 S413 Q414 D418 W419 K420	S324-V416 WeakPolarHBondContact OG-CA 3.23Å; S324-V416 VanDerWaalsContact OG-CG2 3.27Å; S324-V416 WeakPolarHBondContact OG-CG2 3.35Å; I412-V416 HydrophobicContact CG2-CG2 4.46Å; I412-V416 WeakPolarHBondContact O-CG2 3.26Å; I412-V416 PolarHBondContact O-N 3.07Å; S413-V416 PolarHBondContact O-N 2.84Å; Q414-V416 VanDerWaalsContact C-N 3.33Å; Q414-V416 PolarHBondContact O-N 2.98Å; V416-D418 VanDerWaalsContact C-N 3.29Å; V416-D418 PolarHBondContact O-N 2.93Å; V416-W419 PolarHBondContact O-N 2.87Å; V416-K420 HydrophobicContact CG1-CD 4.45Å; V416-K420 HydrophobicContact CG1-CG 4.42Å; V416-K420 WeakPolarHBondContact O-CG 3.06Å; V416-K420 PolarHBondContact O-N 2.93Å
417	Q	83.1	Confident	84.8	Confident	68 Å²	68	56 Å²	56	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-37.4	178.6	-69.4	-67.8	-35.1	0	0	112.1	S413 Q414 K420 F421	S413-Q417 WeakPolarHBondContact O-CB 3.24Å; S413-Q417 WeakPolarHBondContact O-CG 3.31Å; S413-Q417 PolarHBondContact O-N 3.43Å; Q414-Q417 PolarHBondContact O-N 3.31Å; Q417-K420 PolarHBondContact O-N 3Å; Q417-F421 WeakPolarHBondContact O-CB 3.42Å; Q417-F421 PolarHBondContact O-N 3.4Å
418	D	85.3	Confident	85.1	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-45	175	-69.3	-30	0	0	0	111.9	M331 L340 Y356 Q414 V415 V416 F421 V422	M331-D418 HydrophobicContact CE-CB 3.9Å; M331-D418 HydrophobicContact SD-CB 4.04Å; L340-D418 HydrophobicContact CD1-CB 4.42Å; Y356-D418 PolarHBondContact OH-OD1 3.09Å; Y356-D418 PolarHBondContact OH-OD2 3.19Å; Q414-D418 VanDerWaalsContact O-CG 3.26Å; Q414-D418 PolarHBondContact O-N 3.29Å; V415-D418 PolarHBondContact O-N 2.83Å; V416-D418 VanDerWaalsContact C-N 3.29Å; V416-D418 PolarHBondContact O-N 2.93Å; D418-F421 PolarHBondContact O-N 3.29Å; D418-V422 WeakPolarHBondContact O-CG2 3.47Å; D418-V422 PolarHBondContact O-N 3.16Å
419	W	85.4	Confident	85.6	Confident	18 Å²	18	49.1 Å²	49.1	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-40.3	177.2	-82.5	107	0	0	0	112.4	V320 M331 V415 V416 F421 V422 A423	V320-W419 HydrophobicContact CG1-CE3 3.79Å; V320-W419 HydrophobicContact CG1-CZ3 3.99Å; M331-W419 VanDerWaalsContact CE-CA 3.45Å; M331-W419 HydrophobicContact CE-CB 4Å; M331-W419 HydrophobicContact CE-CD2 3.28Å; M331-W419 HydrophobicContact CE-CE3 3.67Å; M331-W419 HydrophobicContact CE-CG 3.42Å; M331-W419 VanDerWaalsContact CE-CG 3.42Å; M331-W419 HydrophobicContact CE-CZ2 4.26Å; M331-W419 HydrophobicContact CE-CZ3 4.28Å; M331-W419 HydrophobicContact CG-CD2 4.2Å; M331-W419 VanDerWaalsContact CG-CE2 3.47Å; M331-W419 HydrophobicContact CG-CH2 4.34Å; M331-W419 HydrophobicContact CG-CZ2 3.58Å; V415-W419 VanDerWaalsContact O-CD1 3.27Å; V415-W419 PolarHBondContact O-N 3.18Å; V415-W419 VanDerWaalsContact O-N 3.1Å; V416-W419 PolarHBondContact O-N 2.87Å; W419-F421 VanDerWaalsContact C-N 3.31Å; W419-F421 PolarHBondContact O-N 3.5Å; W419-V422 PolarHBondContact O-N 2.87Å; W419-A423 PolarHBondContact O-N 2.87Å
420	K	87.1	Confident	86.1	Confident	50 Å²	50	45.2 Å²	45.2	22%	0.217	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-43.8	172.7	-70	-165.5	173.2	-154.7	0	111.4	D260 V416 Q417 A423 Q424	D260-K420 IonicContact OD1-NZ 2.75Å; D260-K420 PolarHBondContact OD1-NZ 3.42Å; V416-K420 HydrophobicContact CG1-CD 4.45Å; V416-K420 HydrophobicContact CG1-CG 4.42Å; V416-K420 WeakPolarHBondContact O-CG 3.06Å; V416-K420 PolarHBondContact O-N 2.93Å; Q417-K420 PolarHBondContact O-N 3Å; K420-A423 WeakPolarHBondContact O-CB 3.26Å; K420-A423 PolarHBondContact O-N 2.93Å; K420-Q424 WeakPolarHBondContact O-CG 3.26Å; K420-Q424 PolarHBondContact O-N 3.19Å
421	F	86.2	Confident	86.6	Confident	10 Å²	10	40.1 Å²	40.1	4%	0.044	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-40.1	176.8	-175.8	-99.6	0	0	0	112.3	L340 P344 M349 H352 Q417 D418 W419 A423 Q424 V425	L340-F421 HydrophobicContact CD2-CD1 3.45Å; L340-F421 VanDerWaalsContact CD2-CD1 3.45Å; L340-F421 HydrophobicContact CD2-CE1 4.04Å; L340-F421 HydrophobicContact CD2-CG 4.5Å; P344-F421 HydrophobicContact CB-CE1 4.4Å; P344-F421 HydrophobicContact CB-CZ 4.12Å; P344-F421 HydrophobicContact CG-CE1 3.68Å; P344-F421 HydrophobicContact CG-CZ 3.89Å; M349-F421 HydrophobicContact SD-CE2 4.49Å; M349-F421 HydrophobicContact SD-CZ 4.37Å; H352-F421 HydrophobicContact CB-CD2 3.75Å; H352-F421 HydrophobicContact CB-CE1 4.16Å; H352-F421 HydrophobicContact CB-CE2 3.37Å; H352-F421 HydrophobicContact CB-CG 4.29Å; H352-F421 HydrophobicContact CB-CZ 3.58Å; H352-F421 AromaticContact CD2-CD2 3.27Å; H352-F421 WeakPolarHBondContact CD2-CD2 3.49Å; H352-F421 AromaticContact CD2-CE2 3.64Å; H352-F421 AromaticContact CG-CD2 3.46Å; H352-F421 VanDerWaalsContact CG-CD2 3.46Å; H352-F421 AromaticContact CG-CE2 3.63Å; H352-F421 AromaticContact CG-CG 3.96Å; H352-F421 AromaticContact NE2-CD2 3.85Å; Q417-F421 WeakPolarHBondContact O-CB 3.42Å; Q417-F421 PolarHBondContact O-N 3.4Å; D418-F421 PolarHBondContact O-N 3.29Å; W419-F421 VanDerWaalsContact C-N 3.31Å; W419-F421 PolarHBondContact O-N 3.5Å; F421-A423 VanDerWaalsContact C-N 3.29Å; F421-A423 PolarHBondContact O-N 2.75Å; F421-Q424 WeakPolarHBondContact O-CB 3.28Å; F421-Q424 PolarHBondContact O-N 3.41Å; F421-V425 HydrophobicContact CD1-CG2 3.97Å; F421-V425 HydrophobicContact CE1-CG2 3.54Å; F421-V425 HydrophobicContact CE2-CG2 4.37Å; F421-V425 HydrophobicContact CZ-CG2 3.78Å; F421-V425 WeakPolarHBondContact O-CG2 3.28Å; F421-V425 PolarHBondContact O-N 3.27Å
422	V	88.4	Confident	87.1	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-41.9	172.8	171.5	0	0	0	0	111.2	V320 M331 F339 L340 D418 W419 V425 L426	V320-V422 HydrophobicContact CG1-CG1 4.08Å; M331-V422 HydrophobicContact CE-CB 4.26Å; M331-V422 HydrophobicContact CE-CG2 3.53Å; M331-V422 HydrophobicContact SD-CG2 4.47Å; F339-V422 HydrophobicContact CB-CB 4.46Å; F339-V422 HydrophobicContact CB-CG1 4.13Å; F339-V422 HydrophobicContact CB-CG2 3.79Å; F339-V422 HydrophobicContact CD1-CG1 4.07Å; F339-V422 HydrophobicContact CD2-CG1 4.31Å; F339-V422 HydrophobicContact CG-CG1 3.92Å; F339-V422 HydrophobicContact CG-CG2 4.47Å; L340-V422 HydrophobicContact CD2-CG2 3.87Å; D418-V422 WeakPolarHBondContact O-CG2 3.47Å; D418-V422 PolarHBondContact O-N 3.16Å; W419-V422 PolarHBondContact O-N 2.87Å; V422-V425 PolarHBondContact O-N 3.39Å; V422-L426 HydrophobicContact CG1-CD1 4.27Å; V422-L426 WeakPolarHBondContact O-CG 3.33Å; V422-L426 PolarHBondContact O-N 3.24Å
423	A	88.8	Confident	87.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-43.1	174.8	0	0	0	0	0	112.1	V317 V320 H321 W419 K420 F421 V425 L426 D427	V317-A423 HydrophobicContact CG1-CB 3.96Å; V320-A423 HydrophobicContact CG1-CB 4.31Å; H321-A423 HydrophobicContact CB-CB 3.81Å; W419-A423 PolarHBondContact O-N 2.87Å; K420-A423 WeakPolarHBondContact O-CB 3.26Å; K420-A423 PolarHBondContact O-N 2.93Å; F421-A423 VanDerWaalsContact C-N 3.29Å; F421-A423 PolarHBondContact O-N 2.75Å; A423-V425 PolarHBondContact O-N 3.33Å; A423-L426 WeakPolarHBondContact O-CB 3.35Å; A423-L426 PolarHBondContact O-N 3.49Å; A423-D427 PolarHBondContact O-N 2.87Å
424	Q	87.9	Confident	88.3	Confident	86 Å²	86	40.3 Å²	40.3	40%	0.402	19%	0.185	S	C	.	.	H	α-helix	trans	-62.7	-38.7	175.1	-70.5	174.4	-15.5	0	0	112.9	K420 F421 D427 R428	K420-Q424 WeakPolarHBondContact O-CG 3.26Å; K420-Q424 PolarHBondContact O-N 3.19Å; F421-Q424 WeakPolarHBondContact O-CB 3.28Å; F421-Q424 PolarHBondContact O-N 3.41Å; Q424-D427 PolarHBondContact O-N 2.65Å; Q424-R428 WeakPolarHBondContact O-CG 3.32Å; Q424-R428 PolarHBondContact O-N 3.23Å; Q424-R428 VanDerWaalsContact O-N 3.12Å
425	V	89.4	Confident	88.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-44.8	175	172.2	0	0	0	0	110.3	F339 L343 P344 L347 M349 F421 V422 A423 R428 I429	F339-V425 HydrophobicContact CD1-CG1 3.97Å; L343-V425 HydrophobicContact CB-CG1 3.86Å; L343-V425 HydrophobicContact CD1-CG1 4.17Å; P344-V425 HydrophobicContact CG-CG2 4.13Å; L347-V425 HydrophobicContact CD1-CG1 4.09Å; M349-V425 HydrophobicContact SD-CG2 3.91Å; F421-V425 HydrophobicContact CD1-CG2 3.97Å; F421-V425 HydrophobicContact CE1-CG2 3.54Å; F421-V425 HydrophobicContact CE2-CG2 4.37Å; F421-V425 HydrophobicContact CZ-CG2 3.78Å; F421-V425 WeakPolarHBondContact O-CG2 3.28Å; F421-V425 PolarHBondContact O-N 3.27Å; V422-V425 PolarHBondContact O-N 3.39Å; A423-V425 PolarHBondContact O-N 3.33Å; V425-R428 PolarHBondContact O-N 3.36Å; V425-I429 HydrophobicContact CG1-CD1 4.08Å; V425-I429 WeakPolarHBondContact O-CG1 3.3Å; V425-I429 PolarHBondContact O-N 3.01Å
426	L	90.4	Very high	89.4	Confident	14 Å²	14	43.3 Å²	43.3	7%	0.073	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-48.3	175.1	-76.9	168.1	0	0	0	111.6	F316 V317 V320 F339 V422 A423 R428 I429 F430	F316-L426 HydrophobicContact CE1-CD1 4.08Å; V317-L426 HydrophobicContact CG2-CB 4.05Å; V320-L426 HydrophobicContact CB-CD1 4.41Å; V320-L426 HydrophobicContact CG1-CD1 4.08Å; V320-L426 HydrophobicContact CG2-CD1 4.25Å; F339-L426 HydrophobicContact CD1-CD2 4.5Å; F339-L426 HydrophobicContact CD1-CG 4.4Å; F339-L426 HydrophobicContact CE1-CD2 3.42Å; F339-L426 VanDerWaalsContact CE1-CD2 3.42Å; F339-L426 HydrophobicContact CE1-CG 3.73Å; F339-L426 HydrophobicContact CZ-CD2 3.77Å; F339-L426 HydrophobicContact CZ-CG 4.34Å; V422-L426 HydrophobicContact CG1-CD1 4.27Å; V422-L426 WeakPolarHBondContact O-CG 3.33Å; V422-L426 PolarHBondContact O-N 3.24Å; A423-L426 WeakPolarHBondContact O-CB 3.35Å; A423-L426 PolarHBondContact O-N 3.49Å; L426-R428 PolarHBondContact O-N 2.77Å; L426-I429 PolarHBondContact O-N 3.43Å; L426-I429 VanDerWaalsContact O-N 3.14Å; L426-F430 HydrophobicContact CB-CD2 4.35Å; L426-F430 HydrophobicContact CB-CE2 4.23Å; L426-F430 HydrophobicContact CD2-CE2 3.99Å; L426-F430 WeakPolarHBondContact O-CD2 3.48Å; L426-F430 PolarHBondContact O-N 3.4Å
427	D	91.3	Very high	89.8	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-53.8	-42.2	176.7	-90.8	-25.2	0	0	0	112	K264 V317 A423 Q424 F430 L431	K264-D427 IonicContact NZ-OD1 3.65Å; K264-D427 PolarHBondContact NZ-OD1 2.9Å; K264-D427 IonicContact NZ-OD2 3.8Å; K264-D427 PolarHBondContact NZ-OD2 3.03Å; V317-D427 WeakPolarHBondContact CG1-OD1 3.46Å; A423-D427 PolarHBondContact O-N 2.87Å; Q424-D427 PolarHBondContact O-N 2.65Å; D427-F430 PolarHBondContact O-N 2.86Å; D427-L431 VanDerWaalsContact O-CB 3.25Å; D427-L431 WeakPolarHBondContact O-CB 3.18Å; D427-L431 PolarHBondContact O-N 3.16Å
428	R	90.6	Very high	90.2	Very high	102 Å²	102	41.5 Å²	41.5	39%	0.385	20%	0.195	S	C	.	.	H	α-helix	trans	-73	-33.2	-179.4	-71.9	-106.7	-169.7	-165.9	3	113.5	M349 Q424 V425 L426 W432	M349-R428 HydrophobicContact CE-CB 3.77Å; M349-R428 HydrophobicContact CE-CG 3.35Å; Q424-R428 WeakPolarHBondContact O-CG 3.32Å; Q424-R428 PolarHBondContact O-N 3.23Å; Q424-R428 VanDerWaalsContact O-N 3.12Å; V425-R428 PolarHBondContact O-N 3.36Å; L426-R428 PolarHBondContact O-N 2.77Å; R428-W432 VanDerWaalsContact O-CD1 3.23Å; R428-W432 PolarHBondContact O-N 3.48Å
429	I	91.8	Very high	90.4	Very high	52 Å²	52	44.9 Å²	44.9	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-50.2	171.6	-65.3	165.4	0	0	0	109.6	F339 L343 L347 V425 L426 L431 W432 L433	F339-I429 HydrophobicContact CE1-CD1 4.45Å; L343-I429 HydrophobicContact CD1-CD1 3.74Å; L343-I429 HydrophobicContact CD2-CD1 3.55Å; L343-I429 HydrophobicContact CD2-CG1 4.14Å; L343-I429 HydrophobicContact CG-CD1 4.24Å; L347-I429 HydrophobicContact CD1-CD1 4.42Å; L347-I429 HydrophobicContact CD1-CG1 3.68Å; V425-I429 HydrophobicContact CG1-CD1 4.08Å; V425-I429 WeakPolarHBondContact O-CG1 3.3Å; V425-I429 PolarHBondContact O-N 3.01Å; L426-I429 PolarHBondContact O-N 3.43Å; L426-I429 VanDerWaalsContact O-N 3.14Å; I429-L431 VanDerWaalsContact C-N 3.33Å; I429-L431 PolarHBondContact O-N 3.27Å; I429-W432 PolarHBondContact O-N 3.38Å; I429-L433 WeakPolarHBondContact O-CB 3.4Å; I429-L433 PolarHBondContact O-N 3.44Å
430	F	92.9	Very high	90.7	Very high	41 Å²	41	47.4 Å²	47.4	18%	0.18	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-36.2	180	-69	-60.8	0	0	0	111.6	F255 V313 V317 L426 D427 W432 L433 F434	F255-F430 HydrophobicContact CD1-CB 3.97Å; F255-F430 HydrophobicContact CE1-CB 3.92Å; F255-F430 HydrophobicContact CG-CB 4.37Å; F255-F430 HydrophobicContact CZ-CB 4.27Å; V313-F430 HydrophobicContact CG1-CB 4.1Å; V313-F430 HydrophobicContact CG1-CD1 3.72Å; V313-F430 HydrophobicContact CG1-CD2 3.29Å; V313-F430 HydrophobicContact CG1-CE1 3.88Å; V313-F430 HydrophobicContact CG1-CE2 3.47Å; V313-F430 VanDerWaalsContact CG1-CE2 3.47Å; V313-F430 HydrophobicContact CG1-CG 3.43Å; V313-F430 VanDerWaalsContact CG1-CG 3.43Å; V313-F430 HydrophobicContact CG1-CZ 3.77Å; V313-F430 HydrophobicContact CG2-CD1 4.44Å; V313-F430 HydrophobicContact CG2-CE1 4.23Å; V317-F430 HydrophobicContact CG2-CD2 4.17Å; V317-F430 HydrophobicContact CG2-CE2 4.26Å; L426-F430 HydrophobicContact CB-CD2 4.35Å; L426-F430 HydrophobicContact CB-CE2 4.23Å; L426-F430 HydrophobicContact CD2-CE2 3.99Å; L426-F430 WeakPolarHBondContact O-CD2 3.48Å; L426-F430 PolarHBondContact O-N 3.4Å; D427-F430 PolarHBondContact O-N 2.86Å; F430-W432 PolarHBondContact O-N 3.49Å; F430-L433 HydrophobicContact CD1-CD2 4.2Å; F430-L433 PolarHBondContact O-N 3.18Å; F430-F434 HydrophobicContact CB-CD2 4.24Å; F430-F434 HydrophobicContact CB-CE2 4.36Å; F430-F434 HydrophobicContact CD1-CE2 4.2Å; F430-F434 VanDerWaalsContact O-CB 3.25Å; F430-F434 WeakPolarHBondContact O-CB 3.2Å; F430-F434 WeakPolarHBondContact O-CD2 3.28Å; F430-F434 PolarHBondContact O-N 3.31Å
431	L	92.8	Very high	90.8	Very high	20 Å²	20	45.5 Å²	45.5	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-52.5	172.4	-173.6	159.3	0	0	0	111.4	V252 F255 Y256 D427 I429 F434 L435	V252-L431 HydrophobicContact CG1-CG 4.36Å; F255-L431 HydrophobicContact CB-CB 3.78Å; F255-L431 HydrophobicContact CB-CD1 4.47Å; F255-L431 HydrophobicContact CB-CG 4.35Å; Y256-L431 HydrophobicContact CD2-CD1 3.95Å; Y256-L431 HydrophobicContact CG-CD1 4.45Å; D427-L431 VanDerWaalsContact O-CB 3.25Å; D427-L431 WeakPolarHBondContact O-CB 3.18Å; D427-L431 PolarHBondContact O-N 3.16Å; I429-L431 VanDerWaalsContact C-N 3.33Å; I429-L431 PolarHBondContact O-N 3.27Å; L431-F434 PolarHBondContact O-N 3.26Å; L431-L435 WeakPolarHBondContact O-CB 3.48Å; L431-L435 PolarHBondContact O-N 3.22Å
432	W	91.9	Very high	90.9	Very high	140 Å²	140	45.9 Å²	45.9	53%	0.53	23%	0.232	S	C	.	.	H	α-helix	trans	-66.2	-41.5	179.7	-79.6	111.5	0	0	0	112.6	R428 I429 F430 L435 I436	R428-W432 VanDerWaalsContact O-CD1 3.23Å; R428-W432 PolarHBondContact O-N 3.48Å; I429-W432 PolarHBondContact O-N 3.38Å; F430-W432 PolarHBondContact O-N 3.49Å; W432-L435 HydrophobicContact CE3-CD2 4.1Å; W432-L435 HydrophobicContact CZ3-CD2 4.08Å; W432-L435 PolarHBondContact O-N 2.8Å; W432-I436 WeakPolarHBondContact O-CB 3.46Å; W432-I436 WeakPolarHBondContact O-CD1 3.49Å; W432-I436 VanDerWaalsContact O-CG1 3.25Å; W432-I436 WeakPolarHBondContact O-CG1 3.4Å; W432-I436 PolarHBondContact O-N 3.13Å
433	L	92.6	Very high	91	Very high	92 Å²	92	49.7 Å²	49.7	48%	0.482	26%	0.255	S	S	.	.	H	α-helix	trans	-57.7	-53	175.9	-175.2	91	0	0	0	110.5	I429 F430 I436 V437	I429-L433 WeakPolarHBondContact O-CB 3.4Å; I429-L433 PolarHBondContact O-N 3.44Å; F430-L433 HydrophobicContact CD1-CD2 4.2Å; F430-L433 PolarHBondContact O-N 3.18Å; L433-I436 PolarHBondContact O-N 2.89Å; L433-V437 WeakPolarHBondContact O-CB 3.24Å; L433-V437 VanDerWaalsContact O-CG2 3.26Å; L433-V437 WeakPolarHBondContact O-CG2 3.37Å; L433-V437 PolarHBondContact O-N 3.46Å
434	F	92.4	Very high	90.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-40.4	-178.5	-83.5	-110.8	0	0	0	111.2	V252 F255 F306 L309 V313 F430 L431 I436 V437 S438	V252-F434 HydrophobicContact CG2-CB 4.42Å; F255-F434 HydrophobicContact CD2-CB 4.39Å; F255-F434 HydrophobicContact CD2-CG 4.3Å; F255-F434 HydrophobicContact CE2-CB 4.14Å; F255-F434 AromaticContact CE2-CD1 3.66Å; F255-F434 HydrophobicContact CE2-CD1 3.66Å; F255-F434 AromaticContact CE2-CD2 3.78Å; F255-F434 HydrophobicContact CE2-CD2 3.78Å; F255-F434 AromaticContact CE2-CE1 3.97Å; F255-F434 HydrophobicContact CE2-CE1 3.97Å; F255-F434 AromaticContact CE2-CE2 3.99Å; F255-F434 HydrophobicContact CE2-CE2 3.99Å; F255-F434 AromaticContact CE2-CG 3.59Å; F255-F434 HydrophobicContact CE2-CG 3.59Å; F255-F434 HydrophobicContact CE2-CZ 4.07Å; F255-F434 HydrophobicContact CZ-CD1 4.32Å; F255-F434 HydrophobicContact CZ-CD2 4.1Å; F255-F434 HydrophobicContact CZ-CE1 4.19Å; F255-F434 AromaticContact CZ-CE2 3.86Å; F255-F434 HydrophobicContact CZ-CE2 3.86Å; F255-F434 HydrophobicContact CZ-CG 4.31Å; F255-F434 AromaticContact CZ-CZ 3.9Å; F255-F434 HydrophobicContact CZ-CZ 3.9Å; F306-F434 HydrophobicContact CD1-CD1 4.04Å; F306-F434 HydrophobicContact CD1-CE1 4.41Å; F306-F434 AromaticContact CD2-CD1 4Å; F306-F434 HydrophobicContact CD2-CD1 4Å; F306-F434 HydrophobicContact CD2-CE1 4.05Å; F306-F434 HydrophobicContact CE1-CB 4.21Å; F306-F434 AromaticContact CE1-CD1 3.41Å; F306-F434 HydrophobicContact CE1-CD1 3.41Å; F306-F434 VanDerWaalsContact CE1-CD1 3.41Å; F306-F434 HydrophobicContact CE1-CE1 4.19Å; F306-F434 HydrophobicContact CE1-CG 4.24Å; F306-F434 HydrophobicContact CE2-CB 4.2Å; F306-F434 AromaticContact CE2-CD1 3.32Å; F306-F434 HydrophobicContact CE2-CD1 3.32Å; F306-F434 AromaticContact CE2-CE1 3.79Å; F306-F434 HydrophobicContact CE2-CE1 3.79Å; F306-F434 AromaticContact CE2-CG 3.87Å; F306-F434 HydrophobicContact CE2-CG 3.87Å; F306-F434 HydrophobicContact CG-CD1 4.32Å; F306-F434 HydrophobicContact CG-CE1 4.37Å; F306-F434 HydrophobicContact CZ-CB 3.49Å; F306-F434 VanDerWaalsContact CZ-CB 3.49Å; F306-F434 AromaticContact CZ-CD1 3.02Å; F306-F434 HydrophobicContact CZ-CD1 3.02Å; F306-F434 AromaticContact CZ-CE1 3.9Å; F306-F434 HydrophobicContact CZ-CE1 3.9Å; F306-F434 AromaticContact CZ-CG 3.53Å; F306-F434 HydrophobicContact CZ-CG 3.53Å; F306-F434 VanDerWaalsContact CZ-O 3.25Å; F306-F434 WeakPolarHBondContact CZ-O 3.46Å; L309-F434 HydrophobicContact CD2-CE1 4.24Å; L309-F434 HydrophobicContact CD2-CE2 3.99Å; L309-F434 HydrophobicContact CD2-CZ 3.36Å; V313-F434 HydrophobicContact CG2-CE2 4.47Å; V313-F434 HydrophobicContact CG2-CZ 4.43Å; F430-F434 HydrophobicContact CB-CD2 4.24Å; F430-F434 HydrophobicContact CB-CE2 4.36Å; F430-F434 HydrophobicContact CD1-CE2 4.2Å; F430-F434 VanDerWaalsContact O-CB 3.25Å; F430-F434 WeakPolarHBondContact O-CB 3.2Å; F430-F434 WeakPolarHBondContact O-CD2 3.28Å; F430-F434 PolarHBondContact O-N 3.31Å; L431-F434 PolarHBondContact O-N 3.26Å; F434-I436 PolarHBondContact O-N 3.45Å; F434-V437 PolarHBondContact O-N 3.42Å; F434-S438 WeakPolarHBondContact O-CB 3.36Å; F434-S438 PolarHBondContact O-N 3.07Å
435	L	92.6	Very high	90.9	Very high	60 Å²	60	52.7 Å²	52.7	31%	0.314	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-46.7	176.1	-176	126.9	0	0	0	111.7	V252 L431 W432 S438 V439	V252-L435 HydrophobicContact CG1-CB 3.91Å; V252-L435 HydrophobicContact CG1-CD1 4.13Å; L431-L435 WeakPolarHBondContact O-CB 3.48Å; L431-L435 PolarHBondContact O-N 3.22Å; W432-L435 HydrophobicContact CE3-CD2 4.1Å; W432-L435 HydrophobicContact CZ3-CD2 4.08Å; W432-L435 PolarHBondContact O-N 2.8Å; L435-S438 PolarHBondContact O-N 3.44Å; L435-V439 WeakPolarHBondContact O-CB 3.32Å; L435-V439 VanDerWaalsContact O-CG2 3.27Å; L435-V439 WeakPolarHBondContact O-CG2 3.41Å; L435-V439 PolarHBondContact O-N 3.29Å
436	I	92.6	Very high	90.7	Very high	96 Å²	96	54.1 Å²	54.1	49%	0.492	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-48.1	178.3	-68.4	166.1	0	0	0	110.6	W432 L433 F434 S438 V439 T440	W432-I436 WeakPolarHBondContact O-CB 3.46Å; W432-I436 WeakPolarHBondContact O-CD1 3.49Å; W432-I436 VanDerWaalsContact O-CG1 3.25Å; W432-I436 WeakPolarHBondContact O-CG1 3.4Å; W432-I436 PolarHBondContact O-N 3.13Å; L433-I436 PolarHBondContact O-N 2.89Å; F434-I436 PolarHBondContact O-N 3.45Å; I436-S438 PolarHBondContact O-N 3.23Å; I436-V439 PolarHBondContact O-N 3.44Å; I436-T440 HydrophobicContact CG2-CG2 4.27Å; I436-T440 WeakPolarHBondContact O-CB 3.3Å; I436-T440 VanDerWaalsContact O-CG2 3.29Å; I436-T440 WeakPolarHBondContact O-CG2 3.42Å; I436-T440 PolarHBondContact O-N 3.3Å; I436-T440 PolarHBondContact O-OG1 3.42Å
437	V	92.3	Very high	90.5	Very high	54 Å²	54	56.8 Å²	56.8	33%	0.327	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-41.8	179.9	172.5	0	0	0	0	111.3	F302 F306 L433 F434 T440 G441	F302-V437 HydrophobicContact CE2-CG1 4.24Å; F302-V437 HydrophobicContact CZ-CG1 3.91Å; F306-V437 HydrophobicContact CD2-CG1 4.03Å; F306-V437 HydrophobicContact CE2-CB 3.86Å; F306-V437 HydrophobicContact CE2-CG1 3.53Å; F306-V437 HydrophobicContact CZ-CB 4.38Å; F306-V437 HydrophobicContact CZ-CG1 4.37Å; L433-V437 WeakPolarHBondContact O-CB 3.24Å; L433-V437 VanDerWaalsContact O-CG2 3.26Å; L433-V437 WeakPolarHBondContact O-CG2 3.37Å; L433-V437 PolarHBondContact O-N 3.46Å; F434-V437 PolarHBondContact O-N 3.42Å; V437-T440 WeakPolarHBondContact CA-OG1 3.46Å; V437-T440 PolarHBondContact O-OG1 3.03Å; V437-G441 WeakPolarHBondContact O-CA 3.17Å; V437-G441 PolarHBondContact O-N 3.41Å
438	S	90.5	Very high	90.1	Very high	10 Å²	10	59.3 Å²	59.3	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-47.2	178.9	-179.6	0	0	0	0	112	F434 L435 I436 S442	F434-S438 WeakPolarHBondContact O-CB 3.36Å; F434-S438 PolarHBondContact O-N 3.07Å; L435-S438 PolarHBondContact O-N 3.44Å; I436-S438 PolarHBondContact O-N 3.23Å; S438-S442 VanDerWaalsContact O-CB 3.3Å; S438-S442 WeakPolarHBondContact O-CB 3.3Å; S438-S442 PolarHBondContact O-N 3.14Å; S438-S442 PolarHBondContact O-OG 3.39Å
439	V	91.1	Very high	89.6	Confident	84 Å²	84	54.5 Å²	54.5	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-47.6	178.6	172.5	0	0	0	0	110.9	L435 I436 S442 V443	L435-V439 WeakPolarHBondContact O-CB 3.32Å; L435-V439 VanDerWaalsContact O-CG2 3.27Å; L435-V439 WeakPolarHBondContact O-CG2 3.41Å; L435-V439 PolarHBondContact O-N 3.29Å; I436-V439 PolarHBondContact O-N 3.44Å; V439-S442 PolarHBondContact O-N 3.17Å; V439-V443 VanDerWaalsContact O-CG2 3.29Å; V439-V443 WeakPolarHBondContact O-CG2 3.22Å; V439-V443 PolarHBondContact O-N 3Å
440	T	91.4	Very high	89	Confident	71 Å²	71	56.4 Å²	56.4	44%	0.436	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-42.9	179.5	53	0	0	0	0	112	I436 V437 V443 L444	I436-T440 HydrophobicContact CG2-CG2 4.27Å; I436-T440 WeakPolarHBondContact O-CB 3.3Å; I436-T440 VanDerWaalsContact O-CG2 3.29Å; I436-T440 WeakPolarHBondContact O-CG2 3.42Å; I436-T440 PolarHBondContact O-N 3.3Å; I436-T440 PolarHBondContact O-OG1 3.42Å; V437-T440 WeakPolarHBondContact CA-OG1 3.46Å; V437-T440 PolarHBondContact O-OG1 3.03Å; T440-V443 PolarHBondContact O-N 2.93Å; T440-L444 WeakPolarHBondContact O-CB 3.22Å; T440-L444 WeakPolarHBondContact O-CG 3.24Å; T440-L444 PolarHBondContact O-N 2.91Å
441	G	89.7	Confident	88.5	Confident	9 Å²	9	60 Å²	60	9%	0.093	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-47.5	174.6	0	0	0	0	0	112.1	V437 V443 L444 I445	V437-G441 WeakPolarHBondContact O-CA 3.17Å; V437-G441 PolarHBondContact O-N 3.41Å; G441-V443 PolarHBondContact O-N 3.44Å; G441-L444 PolarHBondContact O-N 2.97Å; G441-I445 WeakPolarHBondContact O-CB 3.33Å; G441-I445 VanDerWaalsContact O-CG1 3.25Å; G441-I445 WeakPolarHBondContact O-CG1 3.47Å; G441-I445 PolarHBondContact O-N 3.43Å
442	S	88.3	Confident	87.8	Confident	18 Å²	18	61.8 Å²	61.8	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-46.2	177	-57.6	0	0	0	0	111.8	Y299 S438 V439 F446	Y299-S442 PolarHBondContact OH-OG 2.9Å; S438-S442 VanDerWaalsContact O-CB 3.3Å; S438-S442 WeakPolarHBondContact O-CB 3.3Å; S438-S442 PolarHBondContact O-N 3.14Å; S438-S442 PolarHBondContact O-OG 3.39Å; V439-S442 PolarHBondContact O-N 3.17Å; S442-F446 WeakPolarHBondContact O-CB 3.27Å; S442-F446 VanDerWaalsContact O-CD2 3.31Å; S442-F446 WeakPolarHBondContact O-CD2 3.33Å; S442-F446 PolarHBondContact O-N 2.91Å
443	V	88.7	Confident	87.1	Confident	84 Å²	84	58.5 Å²	58.5	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-48.8	178.5	171.9	0	0	0	0	110.9	V439 T440 G441 I445 T447	V439-V443 VanDerWaalsContact O-CG2 3.29Å; V439-V443 WeakPolarHBondContact O-CG2 3.22Å; V439-V443 PolarHBondContact O-N 3Å; T440-V443 PolarHBondContact O-N 2.93Å; G441-V443 PolarHBondContact O-N 3.44Å; V443-I445 VanDerWaalsContact C-N 3.34Å; V443-I445 PolarHBondContact O-N 3.38Å; V443-T447 VanDerWaalsContact O-CB 3.24Å; V443-T447 WeakPolarHBondContact O-CB 3.35Å; V443-T447 PolarHBondContact O-N 2.96Å; V443-T447 PolarHBondContact O-OG1 2.81Å
444	L	88.6	Confident	86.4	Confident	129 Å²	129	59.1 Å²	59.1	68%	0.675	32%	0.32	S	S	*	.	H	α-helix	trans	-61.7	-42.2	-177.4	-73.7	171.2	0	0	0	112.3	T440 G441 P448	T440-L444 WeakPolarHBondContact O-CB 3.22Å; T440-L444 WeakPolarHBondContact O-CG 3.24Å; T440-L444 PolarHBondContact O-N 2.91Å; G441-L444 PolarHBondContact O-N 2.97Å; L444-P448 WeakPolarHBondContact O-CD 3.5Å
445	I	87.3	Confident	85.6	Confident	19 Å²	19	67.2 Å²	67.2	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-72	-46	-178.4	-65.6	168.6	0	0	0	110.5	L295 Y299 F302 G441 V443 P448	L295-I445 HydrophobicContact CD1-CG2 3.68Å; L295-I445 WeakPolarHBondContact CD1-O 3.25Å; L295-I445 VanDerWaalsContact CD2-O 3.29Å; L295-I445 WeakPolarHBondContact CD2-O 3.25Å; L295-I445 HydrophobicContact CG-CG2 3.77Å; Y299-I445 HydrophobicContact CD2-CD1 3.99Å; Y299-I445 HydrophobicContact CD2-CG2 4.41Å; F302-I445 HydrophobicContact CB-CD1 4.15Å; F302-I445 HydrophobicContact CD1-CD1 4.29Å; F302-I445 HydrophobicContact CG-CD1 4.16Å; G441-I445 WeakPolarHBondContact O-CB 3.33Å; G441-I445 VanDerWaalsContact O-CG1 3.25Å; G441-I445 WeakPolarHBondContact O-CG1 3.47Å; G441-I445 PolarHBondContact O-N 3.43Å; V443-I445 VanDerWaalsContact C-N 3.34Å; V443-I445 PolarHBondContact O-N 3.38Å; I445-P448 WeakPolarHBondContact O-CD 3.43Å
446	F	85.1	Confident	84.1	Confident	30 Å²	30	65.1 Å²	65.1	13%	0.132	34%	0.341	C	S	.	.	H	α-helix	trans	-81.8	-18.9	-176.2	-74.4	-73.3	0	0	0	115.1	I241 L245 Y299 S442 A449 L450	I241-F446 HydrophobicContact CG2-CE1 4.41Å; I241-F446 HydrophobicContact CG2-CZ 4.32Å; L245-F446 HydrophobicContact CD2-CE2 4.43Å; Y299-F446 AromaticContact CD1-CE2 3.78Å; Y299-F446 HydrophobicContact CD1-CE2 3.78Å; Y299-F446 AromaticContact CD1-CZ 3.79Å; Y299-F446 HydrophobicContact CD1-CZ 3.79Å; Y299-F446 AromaticContact CD2-CE2 3.83Å; Y299-F446 HydrophobicContact CD2-CE2 3.83Å; Y299-F446 HydrophobicContact CD2-CZ 4.49Å; Y299-F446 AromaticContact CE1-CE2 3.84Å; Y299-F446 HydrophobicContact CE1-CE2 3.84Å; Y299-F446 HydrophobicContact CE1-CZ 4.14Å; Y299-F446 AromaticContact CE2-CE2 3.93Å; Y299-F446 HydrophobicContact CE2-CE2 3.93Å; Y299-F446 AromaticContact CG-CE2 3.78Å; Y299-F446 HydrophobicContact CG-CE2 3.78Å; Y299-F446 AromaticContact CG-CZ 3.99Å; Y299-F446 HydrophobicContact CG-CZ 3.99Å; Y299-F446 AromaticContact CZ-CE2 3.95Å; S442-F446 WeakPolarHBondContact O-CB 3.27Å; S442-F446 VanDerWaalsContact O-CD2 3.31Å; S442-F446 WeakPolarHBondContact O-CD2 3.33Å; S442-F446 PolarHBondContact O-N 2.91Å; F446-A449 PolarHBondContact O-N 3.02Å; F446-L450 HydrophobicContact CB-CD1 4.37Å; F446-L450 PolarHBondContact O-N 3.46Å; F446-L450 VanDerWaalsContact O-N 3.08Å
447	T	85.9	Confident	82.7	Confident	71 Å²	71	66.9 Å²	66.9	44%	0.436	34%	0.342	S	S	.	.	H	α-helix	trans	-58.4	-45.2	-177.7	-64.8	0	0	0	0	113.8	V443 A449 L450 K451	V443-T447 VanDerWaalsContact O-CB 3.24Å; V443-T447 WeakPolarHBondContact O-CB 3.35Å; V443-T447 PolarHBondContact O-N 2.96Å; V443-T447 PolarHBondContact O-OG1 2.81Å; T447-A449 PolarHBondContact O-N 3.36Å; T447-L450 PolarHBondContact O-N 3.47Å; T447-K451 WeakPolarHBondContact O-CB 3.32Å; T447-K451 PolarHBondContact O-N 3.31Å
448	P	83.8	Confident	80.7	Confident	61 Å²	61	75.1 Å²	75.1	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-56.8	-44.9	175.7	-26.6	34.9	0	0	0	113.7	F159 L444 I445 K451 M452	F159-P448 HydrophobicContact CE1-CB 4.14Å; L444-P448 WeakPolarHBondContact O-CD 3.5Å; I445-P448 WeakPolarHBondContact O-CD 3.43Å; P448-K451 PolarHBondContact O-N 2.67Å; P448-M452 PolarHBondContact O-N 2.76Å
449	A	79.9	Confident	80.2	Confident	2 Å²	2	78.4 Å²	78.4	2%	0.017	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-47	179	0	0	0	0	0	112	F159 F162 L295 F446 T447 K451 M452 W453	F159-A449 HydrophobicContact CD1-CB 4.11Å; F162-A449 HydrophobicContact CD2-CB 4.22Å; L295-A449 HydrophobicContact CD2-CB 3.49Å; L295-A449 VanDerWaalsContact CD2-CB 3.49Å; F446-A449 PolarHBondContact O-N 3.02Å; T447-A449 PolarHBondContact O-N 3.36Å; A449-K451 VanDerWaalsContact C-N 3.33Å; A449-K451 PolarHBondContact O-N 3.02Å; A449-M452 PolarHBondContact O-N 2.83Å; A449-W453 WeakPolarHBondContact O-CB 3.43Å; A449-W453 PolarHBondContact O-N 3.02Å
450	L	78.2	Confident	79.7	Confident	92 Å²	92	78.1 Å²	78.1	48%	0.482	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-43.6	176.3	-89.5	151.1	0	0	0	111.8	F446 T447 M452 W453 L454	F446-L450 HydrophobicContact CB-CD1 4.37Å; F446-L450 PolarHBondContact O-N 3.46Å; F446-L450 VanDerWaalsContact O-N 3.08Å; T447-L450 PolarHBondContact O-N 3.47Å; L450-M452 VanDerWaalsContact C-N 3.35Å; L450-M452 PolarHBondContact O-N 2.95Å; L450-W453 PolarHBondContact O-N 3.1Å; L450-L454 WeakPolarHBondContact O-CB 3.36Å; L450-L454 WeakPolarHBondContact O-CG 3.46Å; L450-L454 PolarHBondContact O-N 3.23Å
451	K	82.8	Confident	79	Confident	117 Å²	117	78.5 Å²	78.5	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-40.1	178	-174.3	176.4	-179	177.3	0	112	T447 P448 A449 R455	T447-K451 WeakPolarHBondContact O-CB 3.32Å; T447-K451 PolarHBondContact O-N 3.31Å; P448-K451 PolarHBondContact O-N 2.67Å; A449-K451 VanDerWaalsContact C-N 3.33Å; A449-K451 PolarHBondContact O-N 3.02Å; K451-R455 WeakPolarHBondContact O-CB 3.31Å; K451-R455 WeakPolarHBondContact O-CG 3.42Å; K451-R455 PolarHBondContact O-N 2.98Å; K451-R455 VanDerWaalsContact O-N 3.12Å
452	M	78.6	Confident	78.4	Confident	57 Å²	57	82.6 Å²	82.6	28%	0.281	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176	-171.2	-169.4	67.8	0	0	111.4	F159 F162 P448 A449 L450 R455 S456	F159-M452 HydrophobicContact CB-CE 3.28Å; F159-M452 HydrophobicContact CB-SD 4.13Å; F159-M452 HydrophobicContact CD1-CE 4.24Å; F159-M452 HydrophobicContact CD1-SD 4.33Å; F159-M452 HydrophobicContact CD2-CE 3.66Å; F159-M452 HydrophobicContact CD2-SD 3.26Å; F159-M452 WeakPolarHBondContact CD2-SD 3.42Å; F159-M452 HydrophobicContact CE2-SD 3.62Å; F159-M452 HydrophobicContact CG-CE 3.47Å; F159-M452 VanDerWaalsContact CG-CE 3.47Å; F159-M452 HydrophobicContact CG-SD 3.65Å; F159-M452 HydrophobicContact CZ-SD 4.3Å; F162-M452 WeakPolarHBondContact O-CE 3.32Å; P448-M452 PolarHBondContact O-N 2.76Å; A449-M452 PolarHBondContact O-N 2.83Å; L450-M452 VanDerWaalsContact C-N 3.35Å; L450-M452 PolarHBondContact O-N 2.95Å; M452-R455 PolarHBondContact O-N 2.98Å; M452-S456 WeakPolarHBondContact O-CB 3.38Å; M452-S456 PolarHBondContact O-N 3.31Å; M452-S456 VanDerWaalsContact O-N 3.09Å
453	W	76.9	Confident	77.8	Confident	71 Å²	71	86.6 Å²	86.6	27%	0.269	42%	0.418	S	S	.	.	H	α-helix	trans	-64.8	-41.1	179.2	-172.5	81.7	0	0	0	112.6	F162 A449 L450 S456 Y457	F162-W453 HydrophobicContact CB-CB 4.17Å; F162-W453 HydrophobicContact CB-CG 4.35Å; F162-W453 HydrophobicContact CD1-CB 4.29Å; F162-W453 AromaticContact CD1-CD1 3.55Å; F162-W453 HydrophobicContact CD1-CD2 4.43Å; F162-W453 AromaticContact CD1-CG 3.84Å; F162-W453 HydrophobicContact CD1-CG 3.84Å; F162-W453 AromaticContact CD1-NE1 3.94Å; F162-W453 HydrophobicContact CG-CB 4.41Å; F162-W453 HydrophobicContact CG-CG 4.4Å; A449-W453 WeakPolarHBondContact O-CB 3.43Å; A449-W453 PolarHBondContact O-N 3.02Å; L450-W453 PolarHBondContact O-N 3.1Å; W453-S456 VanDerWaalsContact O-CB 3.26Å; W453-S456 WeakPolarHBondContact O-CB 3.36Å; W453-S456 PolarHBondContact O-N 2.73Å; W453-S456 VanDerWaalsContact O-N 3.07Å; W453-Y457 HydrophobicContact CD2-CE2 4.38Å; W453-Y457 AromaticContact CE2-CE2 3.66Å; W453-Y457 HydrophobicContact CH2-CD2 4.44Å; W453-Y457 AromaticContact CH2-CE2 3.99Å; W453-Y457 HydrophobicContact CH2-CE2 3.99Å; W453-Y457 HydrophobicContact CZ2-CD2 4.22Å; W453-Y457 AromaticContact CZ2-CE2 3.46Å; W453-Y457 HydrophobicContact CZ2-CE2 3.46Å; W453-Y457 VanDerWaalsContact CZ2-CE2 3.46Å
454	L	78.8	Confident	77	Confident	104 Å²	104	86.8 Å²	86.8	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-65.3	-40.2	175.5	-72.9	169.7	0	0	0	112.4	L450 S456 Y457	L450-L454 WeakPolarHBondContact O-CB 3.36Å; L450-L454 WeakPolarHBondContact O-CG 3.46Å; L450-L454 PolarHBondContact O-N 3.23Å; L454-S456 PolarHBondContact O-N 2.74Å; L454-Y457 PolarHBondContact O-N 3.1Å
455	R	75.3	Confident	76.2	Confident	173 Å²	173	83.8 Å²	83.8	65%	0.653	39%	0.393	S	S	*	.	H	α-helix	trans	-67.5	-13.4	172.5	-78.9	-177.2	177.5	-174.8	-3.6	113.7	K451 M452	K451-R455 WeakPolarHBondContact O-CB 3.31Å; K451-R455 WeakPolarHBondContact O-CG 3.42Å; K451-R455 PolarHBondContact O-N 2.98Å; K451-R455 VanDerWaalsContact O-N 3.12Å; M452-R455 PolarHBondContact O-N 2.98Å
456	S	61.4	Low	75.3	Confident	15 Å²	15	88.8 Å²	88.8	11%	0.105	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.9	-179.6	159.7	0	0	0	0	112.5	R164 R230 M452 W453 L454	R164-S456 VanDerWaalsContact CZ-OG 3.22Å; R164-S456 PolarHBondContact NE-OG 2.8Å; R164-S456 PolarHBondContact NH2-O 3.29Å; R164-S456 PolarHBondContact NH2-OG 3.43Å; R230-S456 PolarHBondContact NH1-O 3.49Å; M452-S456 WeakPolarHBondContact O-CB 3.38Å; M452-S456 PolarHBondContact O-N 3.31Å; M452-S456 VanDerWaalsContact O-N 3.09Å; W453-S456 VanDerWaalsContact O-CB 3.26Å; W453-S456 WeakPolarHBondContact O-CB 3.36Å; W453-S456 PolarHBondContact O-N 2.73Å; W453-S456 VanDerWaalsContact O-N 3.07Å; L454-S456 PolarHBondContact O-N 2.74Å
457	Y	62.2	Low	74.5	Confident	133 Å²	133	93.7 Å²	93.7	52%	0.522	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.2	176.5	-90.8	-88.9	0	0	0	114.4	W453 L454	W453-Y457 HydrophobicContact CD2-CE2 4.38Å; W453-Y457 AromaticContact CE2-CE2 3.66Å; W453-Y457 HydrophobicContact CH2-CD2 4.44Å; W453-Y457 AromaticContact CH2-CE2 3.99Å; W453-Y457 HydrophobicContact CH2-CE2 3.99Å; W453-Y457 HydrophobicContact CZ2-CD2 4.22Å; W453-Y457 AromaticContact CZ2-CE2 3.46Å; W453-Y457 HydrophobicContact CZ2-CE2 3.46Å; W453-Y457 VanDerWaalsContact CZ2-CE2 3.46Å; L454-Y457 PolarHBondContact O-N 3.1Å
458	H	50.7	Low	73.5	Confident	228 Å²	228	95.7 Å²	95.7	100%	1.056	44%	0.439	S	S	*	.			trans	-103.8	0	170.6	-76	-59.2	0	0	0	109.8

Retrieved 458 of 458 residues in 87.7 ms (Link to these results)

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