A0A077Z6X7_TRITR Loading...

Vacuolar protein sorting-associated protein 51 homolog

Acts as component of the GARP complex that is involved in retrograde transport from early and late endosomes to the trans-Golgi network (TGN).

AlphaFold DB , UniProt , Accession A0A077Z6X7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 749 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	33.8	Very low	34.2	Very low	247 Å²	247	157.8 Å²	157.8	100%	1.217	86%	0.858	S	S	*	*				0	111.3	0	-83.6	165	139.1	0	0	106.8
2	T	33.1	Very low	35.1	Very low	129 Å²	129	153 Å²	153	79%	0.791	85%	0.845	S	S	*	*			trans	-61.9	143.7	166.8	38.9	0	0	0	0	110.4
3	D	33.5	Very low	36.2	Very low	150 Å²	150	146.3 Å²	146.3	80%	0.802	83%	0.832	S	S	*	*			trans	167.7	135.4	151.5	-82.1	-16.6	0	0	0	105.9
4	E	33.5	Very low	37.5	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	83%	0.826	S	S	*	*			cis	-164.7	148.5	-14.2	-146.4	-179.6	-177.4	0	0	105.2
5	K	32.3	Very low	39	Very low	201 Å²	201	138.9 Å²	138.9	87%	0.874	80%	0.798	S	S	*	*			trans	-86.5	140.5	-178.2	-75.1	173.2	171.9	177.1	0	111.2
6	A	34.9	Very low	40.5	Very low	103 Å²	103	132.8 Å²	132.8	85%	0.851	77%	0.765	S	S	*	*			trans	-142.3	86.9	152.4	0	0	0	0	0	109.9
7	Y	35	Very low	42.1	Very low	224 Å²	224	128.2 Å²	128.2	88%	0.878	74%	0.737	S	S	*	*			trans	-101	113.3	167.2	-98.2	-90.1	0	0	0	108.4
8	N	33.5	Very low	44	Very low	170 Å²	170	125.2 Å²	125.2	91%	0.909	72%	0.718	S	S	*	*			trans	-81.3	119.6	178.9	-137.2	-4.5	0	0	0	109
9	V	33.6	Very low	45.7	Very low	136 Å²	136	121.7 Å²	121.7	82%	0.824	70%	0.696	S	S	*	*			trans	-110.3	125.9	-179.7	172.8	0	0	0	0	108.5
10	G	32.5	Very low	47.3	Very low	60 Å²	60	123 Å²	123	62%	0.619	70%	0.701	S	S	*	*			trans	148.2	99.9	156.6	0	0	0	0	0	116.7
11	T	40.3	Very low	48.8	Very low	132 Å²	132	118.7 Å²	118.7	81%	0.81	68%	0.675	S	S	*	*			trans	177.9	57.4	140.1	41	0	0	0	0	111.5	G13	T11-G13 VanDerWaalsContact C-N 3.32Å; T11-G13 PolarHBondContact O-N 2.73Å; T11-G13 VanDerWaalsContact O-N 3.13Å
12	S	45.4	Very low	51	Low	100 Å²	100	112.5 Å²	112.5	70%	0.699	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	20.1	-170.3	-52.2	0	0	0	0	117.1
13	G	49.6	Very low	53.2	Low	66 Å²	66	111.3 Å²	111.3	68%	0.68	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-42.5	-175.7	0	0	0	0	0	115.4	T11 D15	T11-G13 VanDerWaalsContact C-N 3.32Å; T11-G13 PolarHBondContact O-N 2.73Å; T11-G13 VanDerWaalsContact O-N 3.13Å; G13-D15 VanDerWaalsContact C-N 3.3Å
14	S	53.8	Low	55.5	Low	107 Å²	107	107.2 Å²	107.2	75%	0.748	62%	0.62	S	S	*	*	S	Bend	trans	-83.5	-9.3	-180	-63.3	0	0	0	0	113.3
15	D	60.3	Low	57.8	Low	75 Å²	75	101.6 Å²	101.6	40%	0.401	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-82.6	-21.6	-167.8	-126	-5.7	0	0	0	113.3	G13 L17 N18 N21	G13-D15 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 3.29Å; D15-N18 PolarHBondContact O-N 2.95Å; D15-N21 PolarHBondContact O-ND2 2.88Å; D15-N21 PolarHBondContact OD1-ND2 3.29Å; D15-N21 PolarHBondContact OD2-ND2 3.41Å; D15-N21 VanDerWaalsContact OD2-ND2 3.15Å
16	C	62.6	Low	60	Low	40 Å²	40	95.3 Å²	95.3	27%	0.27	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-73.6	-9.8	179.3	-68.7	0	0	0	0	114.4	N23 N25	C16-N23 PolarHBondContact SG-O 3.23Å; C16-N25 HydrophobicContact CB-CB 4.44Å; C16-N25 PolarHBondContact O-N 3.26Å
17	L	68.7	Low	62.4	Low	55 Å²	55	95 Å²	95	29%	0.288	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-96.6	-4.6	178.6	-72.5	163.9	0	0	0	113.1	D15 M28 Y29 K32	D15-L17 PolarHBondContact O-N 3.29Å; L17-M28 HydrophobicContact CD2-CB 4.48Å; L17-Y29 HydrophobicContact CD2-CD2 4.31Å; L17-Y29 WeakPolarHBondContact O-CD2 3.48Å; L17-Y29 VanDerWaalsContact O-CE2 3.24Å; L17-Y29 WeakPolarHBondContact O-CE2 3.4Å; L17-K32 HydrophobicContact CD1-CD 3.83Å; L17-K32 HydrophobicContact CD2-CB 4.21Å; L17-K32 HydrophobicContact CD2-CD 3.88Å; L17-K32 HydrophobicContact CG-CD 4.47Å
18	N	75.1	Confident	64.6	Low	74 Å²	74	89.9 Å²	89.9	40%	0.396	54%	0.544	S	S	.	.			trans	-86.5	120.1	177.2	-175.2	-3.8	0	0	0	109.9	D15 D20 N21 F24	D15-N18 PolarHBondContact O-N 2.95Å; N18-D20 PolarHBondContact O-N 2.95Å; N18-D20 PolarHBondContact OD1-N 3.36Å; N18-D20 VanDerWaalsContact OD1-N 3.13Å; N18-N21 HydrophobicContact CB-CB 4.06Å; N18-N21 PolarHBondContact O-N 3.34Å; N18-N21 VanDerWaalsContact O-N 3.12Å; N18-F24 WeakPolarHBondContact O-CB 3.44Å; N18-F24 VanDerWaalsContact O-CD2 3.23Å; N18-F24 WeakPolarHBondContact O-CD2 3.34Å
19	I	76.6	Confident	67	Low	60 Å²	60	83 Å²	83	31%	0.308	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.6	-179.5	-62.2	176.6	0	0	0	111.3	N21 F24 Y29 L49	I19-N21 VanDerWaalsContact C-N 3.26Å; I19-N21 PolarHBondContact O-N 2.89Å; I19-F24 HydrophobicContact CB-CE2 4.29Å; I19-F24 HydrophobicContact CB-CZ 4.43Å; I19-F24 HydrophobicContact CG1-CD2 4.43Å; I19-F24 HydrophobicContact CG1-CE2 3.72Å; I19-F24 HydrophobicContact CG1-CZ 3.78Å; I19-Y29 HydrophobicContact CD1-CE1 3.7Å; I19-Y29 HydrophobicContact CD1-CE2 4.34Å; I19-Y29 VanDerWaalsContact CD1-CZ 3.49Å; I19-Y29 WeakPolarHBondContact CD1-OH 3.33Å; I19-Y29 HydrophobicContact CG1-CE1 3.9Å; I19-Y29 HydrophobicContact CG1-CE2 3.99Å; I19-L49 HydrophobicContact CD1-CD2 3.83Å
20	D	77.1	Confident	69.2	Low	147 Å²	147	81 Å²	81	79%	0.786	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.4	-175.6	-58.1	-40.4	0	0	0	113	N18	N18-D20 PolarHBondContact O-N 2.95Å; N18-D20 PolarHBondContact OD1-N 3.36Å; N18-D20 VanDerWaalsContact OD1-N 3.13Å
21	N	79.2	Confident	71.7	Confident	32 Å²	32	86 Å²	86	17%	0.171	49%	0.49	C	S	.	.	S	Bend	trans	-83.8	136.4	179.3	-166.1	-32.9	0	0	0	110.7	D15 N18 I19 N23 F24	D15-N21 PolarHBondContact O-ND2 2.88Å; D15-N21 PolarHBondContact OD1-ND2 3.29Å; D15-N21 PolarHBondContact OD2-ND2 3.41Å; D15-N21 VanDerWaalsContact OD2-ND2 3.15Å; N18-N21 HydrophobicContact CB-CB 4.06Å; N18-N21 PolarHBondContact O-N 3.34Å; N18-N21 VanDerWaalsContact O-N 3.12Å; I19-N21 VanDerWaalsContact C-N 3.26Å; I19-N21 PolarHBondContact O-N 2.89Å; N21-N23 PolarHBondContact O-N 3.49Å; N21-N23 PolarHBondContact OD1-N 2.64Å; N21-F24 WeakPolarHBondContact O-CB 3.48Å; N21-F24 PolarHBondContact O-N 3.5Å
22	S	80	Confident	73.7	Confident	117 Å²	117	84 Å²	84	82%	0.818	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-28.1	169.8	57.8	0	0	0	0	115
23	N	80.3	Confident	75.4	Confident	105 Å²	105	80 Å²	80	56%	0.561	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	18.4	178	-69.8	-27.6	0	0	0	113.5	C16 N21 N25	C16-N23 PolarHBondContact SG-O 3.23Å; N21-N23 PolarHBondContact O-N 3.49Å; N21-N23 PolarHBondContact OD1-N 2.64Å; N23-N25 PolarHBondContact O-N 2.78Å
24	F	80.7	Confident	77	Confident	63 Å²	63	81.2 Å²	81.2	28%	0.276	44%	0.435	S	S	.	.			trans	-58.1	124.4	178.9	177	-118.8	0	0	0	111.8	N18 I19 N21 Y29	N18-F24 WeakPolarHBondContact O-CB 3.44Å; N18-F24 VanDerWaalsContact O-CD2 3.23Å; N18-F24 WeakPolarHBondContact O-CD2 3.34Å; I19-F24 HydrophobicContact CB-CE2 4.29Å; I19-F24 HydrophobicContact CB-CZ 4.43Å; I19-F24 HydrophobicContact CG1-CD2 4.43Å; I19-F24 HydrophobicContact CG1-CE2 3.72Å; I19-F24 HydrophobicContact CG1-CZ 3.78Å; N21-F24 WeakPolarHBondContact O-CB 3.48Å; N21-F24 PolarHBondContact O-N 3.5Å; F24-Y29 VanDerWaalsContact CE2-CB 3.41Å; F24-Y29 AromaticContact CE2-CD1 3.91Å; F24-Y29 HydrophobicContact CE2-CD1 3.91Å; F24-Y29 AromaticContact CE2-CD2 3.68Å; F24-Y29 HydrophobicContact CE2-CD2 3.68Å; F24-Y29 HydrophobicContact CE2-CE2 4.33Å; F24-Y29 AromaticContact CE2-CG 3.4Å; F24-Y29 HydrophobicContact CE2-CG 3.4Å; F24-Y29 VanDerWaalsContact CE2-CG 3.4Å; F24-Y29 AromaticContact CZ-CD1 3.65Å; F24-Y29 HydrophobicContact CZ-CD1 3.65Å; F24-Y29 HydrophobicContact CZ-CD2 4.29Å; F24-Y29 HydrophobicContact CZ-CE1 4.32Å; F24-Y29 AromaticContact CZ-CG 3.61Å; F24-Y29 HydrophobicContact CZ-CG 3.61Å
25	N	81.9	Confident	78.4	Confident	66 Å²	66	84.7 Å²	84.7	35%	0.353	44%	0.439	S	S	.	.			trans	-104.2	98.9	173.9	-172.4	-37.6	0	0	0	109.5	C16 N23 E27 M28 Y29	C16-N25 HydrophobicContact CB-CB 4.44Å; C16-N25 PolarHBondContact O-N 3.26Å; N23-N25 PolarHBondContact O-N 2.78Å; N25-E27 VanDerWaalsContact C-N 3.27Å; N25-E27 PolarHBondContact O-N 3.06Å; N25-E27 PolarHBondContact OD1-N 3.39Å; N25-M28 HydrophobicContact CB-CB 4.19Å; N25-M28 HydrophobicContact CB-CG 4.45Å; N25-M28 PolarHBondContact O-N 3.39Å; N25-M28 PolarHBondContact OD1-N 3.23Å; N25-M28 VanDerWaalsContact OD1-N 3.12Å; N25-Y29 WeakPolarHBondContact O-CB 3.35Å; N25-Y29 PolarHBondContact O-N 3.43Å
26	S	78.9	Confident	79.6	Confident	70 Å²	70	87.6 Å²	87.6	49%	0.49	45%	0.45	S	S	.	.	H	α-helix	trans	-55.8	-39.4	-178	57.1	0	0	0	0	113.1	Y29 I30	S26-Y29 PolarHBondContact O-N 3.33Å; S26-I30 WeakPolarHBondContact O-CB 3.36Å; S26-I30 VanDerWaalsContact O-CG1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.16Å; S26-I30 PolarHBondContact O-N 2.89Å
27	E	85.3	Confident	80.5	Confident	95 Å²	95	88.6 Å²	88.6	44%	0.444	45%	0.45	S	S	.	.	H	α-helix	trans	-67.1	-45.6	-179.6	-178.9	65.2	-163.3	0	0	111.5	N25 Y29 R31	N25-E27 VanDerWaalsContact C-N 3.27Å; N25-E27 PolarHBondContact O-N 3.06Å; N25-E27 PolarHBondContact OD1-N 3.39Å; E27-Y29 VanDerWaalsContact C-N 3.33Å; E27-Y29 PolarHBondContact O-N 2.81Å; E27-R31 WeakPolarHBondContact O-CB 3.44Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.23Å; E27-R31 PolarHBondContact O-N 3.29Å; E27-R31 IonicContact OE1-CZ 3.25Å; E27-R31 VanDerWaalsContact OE1-CZ 3.25Å; E27-R31 IonicContact OE1-NE 2.84Å; E27-R31 PolarHBondContact OE1-NE 3.49Å; E27-R31 IonicContact OE1-NH2 2.84Å; E27-R31 PolarHBondContact OE1-NH2 3.38Å
28	M	82.1	Confident	81.3	Confident	118 Å²	118	88.9 Å²	88.9	58%	0.581	46%	0.457	S	S	*	.	H	α-helix	trans	-64.9	-38.9	175.8	-77.6	-164.1	171.9	0	0	112.1	L17 N25 R31 K32	L17-M28 HydrophobicContact CD2-CB 4.48Å; N25-M28 HydrophobicContact CB-CB 4.19Å; N25-M28 HydrophobicContact CB-CG 4.45Å; N25-M28 PolarHBondContact O-N 3.39Å; N25-M28 PolarHBondContact OD1-N 3.23Å; N25-M28 VanDerWaalsContact OD1-N 3.12Å; M28-R31 PolarHBondContact O-N 3.41Å; M28-K32 WeakPolarHBondContact O-CB 3.18Å; M28-K32 PolarHBondContact O-N 3.32Å
29	Y	82	Confident	81.9	Confident	24 Å²	24	91.7 Å²	91.7	9%	0.094	47%	0.471	C	S	.	.	H	α-helix	trans	-64.5	-48.6	178	-177.2	-102	0	0	0	112.5	L17 I19 F24 N25 S26 E27 R31 K32 I33 R45	L17-Y29 HydrophobicContact CD2-CD2 4.31Å; L17-Y29 WeakPolarHBondContact O-CD2 3.48Å; L17-Y29 VanDerWaalsContact O-CE2 3.24Å; L17-Y29 WeakPolarHBondContact O-CE2 3.4Å; I19-Y29 HydrophobicContact CD1-CE1 3.7Å; I19-Y29 HydrophobicContact CD1-CE2 4.34Å; I19-Y29 VanDerWaalsContact CD1-CZ 3.49Å; I19-Y29 WeakPolarHBondContact CD1-OH 3.33Å; I19-Y29 HydrophobicContact CG1-CE1 3.9Å; I19-Y29 HydrophobicContact CG1-CE2 3.99Å; F24-Y29 VanDerWaalsContact CE2-CB 3.41Å; F24-Y29 AromaticContact CE2-CD1 3.91Å; F24-Y29 HydrophobicContact CE2-CD1 3.91Å; F24-Y29 AromaticContact CE2-CD2 3.68Å; F24-Y29 HydrophobicContact CE2-CD2 3.68Å; F24-Y29 HydrophobicContact CE2-CE2 4.33Å; F24-Y29 AromaticContact CE2-CG 3.4Å; F24-Y29 HydrophobicContact CE2-CG 3.4Å; F24-Y29 VanDerWaalsContact CE2-CG 3.4Å; F24-Y29 AromaticContact CZ-CD1 3.65Å; F24-Y29 HydrophobicContact CZ-CD1 3.65Å; F24-Y29 HydrophobicContact CZ-CD2 4.29Å; F24-Y29 HydrophobicContact CZ-CE1 4.32Å; F24-Y29 AromaticContact CZ-CG 3.61Å; F24-Y29 HydrophobicContact CZ-CG 3.61Å; N25-Y29 WeakPolarHBondContact O-CB 3.35Å; N25-Y29 PolarHBondContact O-N 3.43Å; S26-Y29 PolarHBondContact O-N 3.33Å; E27-Y29 VanDerWaalsContact C-N 3.33Å; E27-Y29 PolarHBondContact O-N 2.81Å; Y29-R31 VanDerWaalsContact C-N 3.34Å; Y29-R31 PolarHBondContact O-N 3.13Å; Y29-K32 PolarHBondContact O-N 2.83Å; Y29-I33 HydrophobicContact CD1-CD1 3.77Å; Y29-I33 HydrophobicContact CD2-CD1 4.34Å; Y29-I33 HydrophobicContact CE1-CD1 3.15Å; Y29-I33 HydrophobicContact CE1-CG1 4.33Å; Y29-I33 HydrophobicContact CE2-CD1 3.84Å; Y29-I33 HydrophobicContact CG-CD1 4.33Å; Y29-I33 WeakPolarHBondContact O-CG1 3.16Å; Y29-I33 PolarHBondContact O-N 2.97Å; Y29-I33 WeakPolarHBondContact OH-CD1 3.25Å; Y29-R45 PolarHBondContact OH-NE 3.46Å; Y29-R45 PolarHBondContact OH-NH2 2.75Å
30	I	80.8	Confident	82.4	Confident	95 Å²	95	95.7 Å²	95.7	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-44.5	176.7	-70.2	173.3	0	0	0	110.1	S26 K32 I33 V34	S26-I30 WeakPolarHBondContact O-CB 3.36Å; S26-I30 VanDerWaalsContact O-CG1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.16Å; S26-I30 PolarHBondContact O-N 2.89Å; I30-K32 VanDerWaalsContact C-N 3.31Å; I30-K32 PolarHBondContact O-N 3.01Å; I30-I33 PolarHBondContact O-N 3.29Å; I30-V34 HydrophobicContact CG2-CG2 3.93Å; I30-V34 WeakPolarHBondContact O-CB 3.33Å; I30-V34 VanDerWaalsContact O-CG2 3.24Å; I30-V34 WeakPolarHBondContact O-CG2 3.48Å; I30-V34 PolarHBondContact O-N 3.45Å
31	R	85.2	Confident	82.9	Confident	166 Å²	166	93.5 Å²	93.5	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-58.8	-43.2	177.2	-78	-177.2	-168.8	-174.6	4.2	112.5	E27 M28 Y29 H35	E27-R31 WeakPolarHBondContact O-CB 3.44Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.23Å; E27-R31 PolarHBondContact O-N 3.29Å; E27-R31 IonicContact OE1-CZ 3.25Å; E27-R31 VanDerWaalsContact OE1-CZ 3.25Å; E27-R31 IonicContact OE1-NE 2.84Å; E27-R31 PolarHBondContact OE1-NE 3.49Å; E27-R31 IonicContact OE1-NH2 2.84Å; E27-R31 PolarHBondContact OE1-NH2 3.38Å; M28-R31 PolarHBondContact O-N 3.41Å; Y29-R31 VanDerWaalsContact C-N 3.34Å; Y29-R31 PolarHBondContact O-N 3.13Å; R31-H35 WeakPolarHBondContact O-CB 3.18Å; R31-H35 PolarHBondContact O-N 2.82Å
32	K	82.4	Confident	83.2	Confident	89 Å²	89	95.2 Å²	95.2	39%	0.387	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-52	177.1	-177.3	-179.4	175.4	-176.9	0	110.8	L17 M28 Y29 I30 V34 H35 E36	L17-K32 HydrophobicContact CD1-CD 3.83Å; L17-K32 HydrophobicContact CD2-CB 4.21Å; L17-K32 HydrophobicContact CD2-CD 3.88Å; L17-K32 HydrophobicContact CG-CD 4.47Å; M28-K32 WeakPolarHBondContact O-CB 3.18Å; M28-K32 PolarHBondContact O-N 3.32Å; Y29-K32 PolarHBondContact O-N 2.83Å; I30-K32 VanDerWaalsContact C-N 3.31Å; I30-K32 PolarHBondContact O-N 3.01Å; K32-V34 PolarHBondContact O-N 3.18Å; K32-H35 PolarHBondContact O-N 3.02Å; K32-E36 VanDerWaalsContact CE-CD 3.48Å; K32-E36 VanDerWaalsContact CE-OE1 3.25Å; K32-E36 WeakPolarHBondContact CE-OE1 2.99Å; K32-E36 WeakPolarHBondContact CE-OE2 3.12Å; K32-E36 HydrophobicContact CG-CG 4.43Å; K32-E36 WeakPolarHBondContact O-CB 3.23Å; K32-E36 WeakPolarHBondContact O-CG 3.49Å; K32-E36 PolarHBondContact O-N 2.9Å
33	I	81.6	Confident	83.5	Confident	16 Å²	16	95.4 Å²	95.4	8%	0.082	47%	0.472	C	S	.	.	H	α-helix	trans	-63.7	-45.1	-176.9	-71.7	-175.9	0	0	0	111.9	Y29 I30 H35 E36 E37 L42	Y29-I33 HydrophobicContact CD1-CD1 3.77Å; Y29-I33 HydrophobicContact CD2-CD1 4.34Å; Y29-I33 HydrophobicContact CE1-CD1 3.15Å; Y29-I33 HydrophobicContact CE1-CG1 4.33Å; Y29-I33 HydrophobicContact CE2-CD1 3.84Å; Y29-I33 HydrophobicContact CG-CD1 4.33Å; Y29-I33 WeakPolarHBondContact O-CG1 3.16Å; Y29-I33 PolarHBondContact O-N 2.97Å; Y29-I33 WeakPolarHBondContact OH-CD1 3.25Å; I30-I33 PolarHBondContact O-N 3.29Å; I33-H35 PolarHBondContact O-N 3.33Å; I33-E36 PolarHBondContact O-N 3.2Å; I33-E37 HydrophobicContact CG2-CB 4.31Å; I33-E37 HydrophobicContact CG2-CG 4.19Å; I33-E37 WeakPolarHBondContact CG2-OE2 3.43Å; I33-E37 WeakPolarHBondContact O-CB 3.42Å; I33-E37 PolarHBondContact O-N 3.49Å; I33-L42 HydrophobicContact CG2-CD1 3.52Å
34	V	82.6	Confident	84	Confident	92 Å²	92	95.2 Å²	95.2	56%	0.558	47%	0.471	S	S	*	.	H	α-helix	trans	-64	-27.7	179.9	171.7	0	0	0	0	111.9	I30 K32	I30-V34 HydrophobicContact CG2-CG2 3.93Å; I30-V34 WeakPolarHBondContact O-CB 3.33Å; I30-V34 VanDerWaalsContact O-CG2 3.24Å; I30-V34 WeakPolarHBondContact O-CG2 3.48Å; I30-V34 PolarHBondContact O-N 3.45Å; K32-V34 PolarHBondContact O-N 3.18Å
35	H	83.4	Confident	84.1	Confident	180 Å²	180	97.2 Å²	97.2	83%	0.833	48%	0.477	S	S	*	.	H	α-helix	trans	-85.7	-31.1	178.4	-140	56.1	0	0	0	113.4	R31 K32 I33	R31-H35 WeakPolarHBondContact O-CB 3.18Å; R31-H35 PolarHBondContact O-N 2.82Å; K32-H35 PolarHBondContact O-N 3.02Å; I33-H35 PolarHBondContact O-N 3.33Å
36	E	84.4	Confident	84.4	Confident	136 Å²	136	99.2 Å²	99.2	64%	0.636	48%	0.484	S	S	*	.	H	α-helix	trans	-96.3	-32.8	-174	-69.7	178	-178	0	0	113.7	K32 I33	K32-E36 VanDerWaalsContact CE-CD 3.48Å; K32-E36 VanDerWaalsContact CE-OE1 3.25Å; K32-E36 WeakPolarHBondContact CE-OE1 2.99Å; K32-E36 WeakPolarHBondContact CE-OE2 3.12Å; K32-E36 HydrophobicContact CG-CG 4.43Å; K32-E36 WeakPolarHBondContact O-CB 3.23Å; K32-E36 WeakPolarHBondContact O-CG 3.49Å; K32-E36 PolarHBondContact O-N 2.9Å; I33-E36 PolarHBondContact O-N 3.2Å
37	E	82.3	Confident	84.9	Confident	61 Å²	61	100.8 Å²	100.8	29%	0.285	48%	0.483	S	S	.	.	S	Bend	trans	-100.8	148	-170.2	-64.2	-172.9	-178.1	0	0	113	I33 E41	I33-E37 HydrophobicContact CG2-CB 4.31Å; I33-E37 HydrophobicContact CG2-CG 4.19Å; I33-E37 WeakPolarHBondContact CG2-OE2 3.43Å; I33-E37 WeakPolarHBondContact O-CB 3.42Å; I33-E37 PolarHBondContact O-N 3.49Å; E37-E41 HydrophobicContact CB-CB 4.03Å; E37-E41 HydrophobicContact CG-CB 4.48Å
38	S	85.7	Confident	85.1	Confident	61 Å²	61	100 Å²	100	43%	0.427	48%	0.482	S	S	.	.			trans	-73.4	158.3	171.4	66.7	0	0	0	0	111.6	Q40 E41 L42	S38-Q40 PolarHBondContact O-N 2.83Å; S38-Q40 VanDerWaalsContact O-N 3.11Å; S38-E41 WeakPolarHBondContact CB-OE2 3.39Å; S38-E41 PolarHBondContact N-OE2 2.73Å; S38-E41 WeakPolarHBondContact O-CB 3.32Å; S38-E41 PolarHBondContact O-N 3.45Å; S38-E41 VanDerWaalsContact OG-CD 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.28Å; S38-E41 PolarHBondContact OG-OE2 2.78Å; S38-L42 PolarHBondContact O-N 3.46Å
39	L	86.4	Confident	85.3	Confident	133 Å²	133	97.5 Å²	97.5	70%	0.696	47%	0.471	S	S	*	.	H	α-helix	trans	-54.9	-34.9	-179.5	-178.6	63.9	0	0	0	113.2	L42 M43	L39-L42 PolarHBondContact O-N 3.09Å; L39-M43 WeakPolarHBondContact O-CG 3.39Å; L39-M43 PolarHBondContact O-N 3.39Å
40	Q	88.2	Confident	85.7	Confident	143 Å²	143	98.8 Å²	98.8	67%	0.668	48%	0.481	S	S	*	.	H	α-helix	trans	-72.7	-36.6	-179.9	-167.1	170.4	-2.6	0	0	112.1	S38 N44	S38-Q40 PolarHBondContact O-N 2.83Å; S38-Q40 VanDerWaalsContact O-N 3.11Å; Q40-N44 WeakPolarHBondContact O-CB 3.21Å; Q40-N44 VanDerWaalsContact O-CG 3.27Å; Q40-N44 PolarHBondContact O-N 3.44Å; Q40-N44 PolarHBondContact O-ND2 2.79Å
41	E	86.5	Confident	86.1	Confident	101 Å²	101	99.7 Å²	99.7	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-43.6	172.5	-71.5	162.5	154.2	0	0	110.6	E37 S38 M43 N44 R45	E37-E41 HydrophobicContact CB-CB 4.03Å; E37-E41 HydrophobicContact CG-CB 4.48Å; S38-E41 WeakPolarHBondContact CB-OE2 3.39Å; S38-E41 PolarHBondContact N-OE2 2.73Å; S38-E41 WeakPolarHBondContact O-CB 3.32Å; S38-E41 PolarHBondContact O-N 3.45Å; S38-E41 VanDerWaalsContact OG-CD 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.28Å; S38-E41 PolarHBondContact OG-OE2 2.78Å; E41-M43 PolarHBondContact O-N 2.81Å; E41-N44 PolarHBondContact O-N 2.84Å; E41-R45 WeakPolarHBondContact O-CB 3.09Å; E41-R45 PolarHBondContact O-N 2.69Å
42	L	85.4	Confident	86.3	Confident	68 Å²	68	96.6 Å²	96.6	36%	0.356	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-43	176.6	-172.8	67.9	0	0	0	112.2	I33 S38 L39 R45 E46	I33-L42 HydrophobicContact CG2-CD1 3.52Å; S38-L42 PolarHBondContact O-N 3.46Å; L39-L42 PolarHBondContact O-N 3.09Å; L42-R45 PolarHBondContact O-N 2.68Å; L42-E46 PolarHBondContact O-N 2.77Å
43	M	88.1	Confident	86.6	Confident	121 Å²	121	98.5 Å²	98.5	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-66.1	-40.6	175.5	-71.2	-141.7	-55.7	0	0	112.5	L39 E41 R45 E46 H47	L39-M43 WeakPolarHBondContact O-CG 3.39Å; L39-M43 PolarHBondContact O-N 3.39Å; E41-M43 PolarHBondContact O-N 2.81Å; M43-R45 VanDerWaalsContact C-N 3.28Å; M43-R45 PolarHBondContact O-N 2.72Å; M43-E46 PolarHBondContact O-N 2.66Å; M43-H47 WeakPolarHBondContact O-CB 3.04Å; M43-H47 PolarHBondContact O-N 2.81Å
44	N	89	Confident	87	Confident	102 Å²	102	104.8 Å²	104.8	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-36.7	176.1	-75	-18.9	0	0	0	111.4	Q40 E41 H47 N48	Q40-N44 WeakPolarHBondContact O-CB 3.21Å; Q40-N44 VanDerWaalsContact O-CG 3.27Å; Q40-N44 PolarHBondContact O-N 3.44Å; Q40-N44 PolarHBondContact O-ND2 2.79Å; E41-N44 PolarHBondContact O-N 2.84Å; N44-H47 PolarHBondContact O-N 3.48Å; N44-N48 WeakPolarHBondContact O-CB 3.5Å; N44-N48 PolarHBondContact O-N 2.85Å
45	R	84.3	Confident	87.3	Confident	105 Å²	105	103.2 Å²	103.2	40%	0.396	51%	0.51	S	S	.	.	H	α-helix	trans	-72.2	-39.3	178.5	-161.2	149.8	179.5	87.8	-8.9	112.1	Y29 E41 L42 M43 N48 L49	Y29-R45 PolarHBondContact OH-NE 3.46Å; Y29-R45 PolarHBondContact OH-NH2 2.75Å; E41-R45 WeakPolarHBondContact O-CB 3.09Å; E41-R45 PolarHBondContact O-N 2.69Å; L42-R45 PolarHBondContact O-N 2.68Å; M43-R45 VanDerWaalsContact C-N 3.28Å; M43-R45 PolarHBondContact O-N 2.72Å; R45-N48 PolarHBondContact O-N 2.82Å; R45-L49 HydrophobicContact CG-CD1 4.41Å; R45-L49 WeakPolarHBondContact O-CB 3.48Å; R45-L49 VanDerWaalsContact O-CG 3.27Å; R45-L49 WeakPolarHBondContact O-CG 3.27Å; R45-L49 PolarHBondContact O-N 2.63Å
46	E	86.8	Confident	87.5	Confident	107 Å²	107	100.6 Å²	100.6	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-48.2	169.1	-176.1	-78.5	145.9	0	0	110.8	L42 M43 N48 L49 T50	L42-E46 PolarHBondContact O-N 2.77Å; M43-E46 PolarHBondContact O-N 2.66Å; E46-N48 VanDerWaalsContact C-N 3.31Å; E46-N48 PolarHBondContact O-N 2.71Å; E46-L49 PolarHBondContact O-N 3.37Å; E46-T50 WeakPolarHBondContact O-CB 3.2Å; E46-T50 PolarHBondContact O-N 2.96Å; E46-T50 PolarHBondContact O-OG1 3.32Å; E46-T50 VanDerWaalsContact O-OG1 3.12Å; E46-T50 PolarHBondContact OE1-OG1 3.48Å
47	H	89.6	Confident	87.7	Confident	103 Å²	103	97.5 Å²	97.5	48%	0.477	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-42	179.7	-168.3	71	0	0	0	111.9	M43 N44 T50 Q51	M43-H47 WeakPolarHBondContact O-CB 3.04Å; M43-H47 PolarHBondContact O-N 2.81Å; N44-H47 PolarHBondContact O-N 3.48Å; H47-T50 PolarHBondContact O-N 2.97Å; H47-Q51 PolarHBondContact NE2-NE2 2.94Å; H47-Q51 WeakPolarHBondContact O-CG 2.95Å; H47-Q51 PolarHBondContact O-N 2.92Å
48	N	89.7	Confident	88	Confident	79 Å²	79	99.9 Å²	99.9	42%	0.422	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-46	178	-164.8	-32	0	0	0	111.4	N44 R45 E46 T50 Q51 Q52	N44-N48 WeakPolarHBondContact O-CB 3.5Å; N44-N48 PolarHBondContact O-N 2.85Å; R45-N48 PolarHBondContact O-N 2.82Å; E46-N48 VanDerWaalsContact C-N 3.31Å; E46-N48 PolarHBondContact O-N 2.71Å; N48-T50 VanDerWaalsContact C-N 3.3Å; N48-T50 PolarHBondContact O-N 3.42Å; N48-Q51 PolarHBondContact O-N 3.48Å; N48-Q51 VanDerWaalsContact O-N 3.16Å; N48-Q52 WeakPolarHBondContact O-CG 3.22Å; N48-Q52 PolarHBondContact O-N 3.48Å; N48-Q52 PolarHBondContact OD1-NE2 3.05Å
49	L	86	Confident	88	Confident	65 Å²	65	101.7 Å²	101.7	34%	0.34	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-40.8	175	-74	169.5	0	0	0	111.7	I19 R45 E46 Q52 L53	I19-L49 HydrophobicContact CD1-CD2 3.83Å; R45-L49 HydrophobicContact CG-CD1 4.41Å; R45-L49 WeakPolarHBondContact O-CB 3.48Å; R45-L49 VanDerWaalsContact O-CG 3.27Å; R45-L49 WeakPolarHBondContact O-CG 3.27Å; R45-L49 PolarHBondContact O-N 2.63Å; E46-L49 PolarHBondContact O-N 3.37Å; L49-Q52 PolarHBondContact O-N 2.99Å; L49-L53 VanDerWaalsContact O-CB 3.31Å; L49-L53 WeakPolarHBondContact O-CB 3.33Å; L49-L53 PolarHBondContact O-N 3.47Å
50	T	90.7	Very high	87.9	Confident	52 Å²	52	100.6 Å²	100.6	32%	0.319	50%	0.501	S	S	.	.	H	α-helix	trans	-66.3	-37.2	176.4	-66.8	0	0	0	0	112	E46 H47 N48 K54	E46-T50 WeakPolarHBondContact O-CB 3.2Å; E46-T50 PolarHBondContact O-N 2.96Å; E46-T50 PolarHBondContact O-OG1 3.32Å; E46-T50 VanDerWaalsContact O-OG1 3.12Å; E46-T50 PolarHBondContact OE1-OG1 3.48Å; H47-T50 PolarHBondContact O-N 2.97Å; N48-T50 VanDerWaalsContact C-N 3.3Å; N48-T50 PolarHBondContact O-N 3.42Å; T50-K54 WeakPolarHBondContact O-CG 3.39Å; T50-K54 PolarHBondContact O-N 3.27Å; T50-K54 VanDerWaalsContact O-N 3.15Å
51	Q	90.1	Very high	87.8	Confident	113 Å²	113	98.7 Å²	98.7	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-44.2	172.5	-75.9	-170.6	-1.2	0	0	112	H47 N48 L53 K54 S55	H47-Q51 PolarHBondContact NE2-NE2 2.94Å; H47-Q51 WeakPolarHBondContact O-CG 2.95Å; H47-Q51 PolarHBondContact O-N 2.92Å; N48-Q51 PolarHBondContact O-N 3.48Å; N48-Q51 VanDerWaalsContact O-N 3.16Å; Q51-L53 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.35Å; Q51-K54 PolarHBondContact O-N 3.13Å; Q51-S55 PolarHBondContact O-N 2.91Å
52	Q	89.9	Confident	87.7	Confident	102 Å²	102	96.8 Å²	96.8	48%	0.477	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-40.2	176.9	-71.4	179.9	20.5	0	0	111.9	N48 L49 K54 S55 L56	N48-Q52 WeakPolarHBondContact O-CG 3.22Å; N48-Q52 PolarHBondContact O-N 3.48Å; N48-Q52 PolarHBondContact OD1-NE2 3.05Å; L49-Q52 PolarHBondContact O-N 2.99Å; Q52-K54 VanDerWaalsContact C-N 3.33Å; Q52-K54 PolarHBondContact O-N 3.15Å; Q52-S55 PolarHBondContact O-N 3.01Å; Q52-S55 PolarHBondContact O-OG 3.06Å; Q52-L56 VanDerWaalsContact O-CB 3.3Å; Q52-L56 WeakPolarHBondContact O-CB 3.45Å; Q52-L56 PolarHBondContact O-N 3.12Å
53	L	88	Confident	87.6	Confident	129 Å²	129	98.7 Å²	98.7	68%	0.675	50%	0.497	S	S	*	.	H	α-helix	trans	-66	-38.3	178.9	-156.5	149.2	0	0	0	111.1	L49 Q51 D57	L49-L53 VanDerWaalsContact O-CB 3.31Å; L49-L53 WeakPolarHBondContact O-CB 3.33Å; L49-L53 PolarHBondContact O-N 3.47Å; Q51-L53 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.35Å; L53-D57 WeakPolarHBondContact O-CB 3.46Å; L53-D57 PolarHBondContact O-N 3.29Å
54	K	90	Very high	87.2	Confident	147 Å²	147	96.9 Å²	96.9	64%	0.639	49%	0.493	S	S	*	.	H	α-helix	trans	-66.6	-41.2	172.9	-74	-179.8	-177	-179.9	0	112.6	T50 Q51 Q52 L58	T50-K54 WeakPolarHBondContact O-CG 3.39Å; T50-K54 PolarHBondContact O-N 3.27Å; T50-K54 VanDerWaalsContact O-N 3.15Å; Q51-K54 PolarHBondContact O-N 3.13Å; Q52-K54 VanDerWaalsContact C-N 3.33Å; Q52-K54 PolarHBondContact O-N 3.15Å; K54-L58 WeakPolarHBondContact O-CB 3.37Å; K54-L58 PolarHBondContact O-N 3.4Å; K54-L58 VanDerWaalsContact O-N 3.14Å
55	S	89.8	Confident	86.8	Confident	60 Å²	60	100.7 Å²	100.7	42%	0.42	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-43.3	177.2	73.4	0	0	0	0	111	Q51 Q52 D57 L58 D59	Q51-S55 PolarHBondContact O-N 2.91Å; Q52-S55 PolarHBondContact O-N 3.01Å; Q52-S55 PolarHBondContact O-OG 3.06Å; S55-D57 VanDerWaalsContact C-N 3.34Å; S55-D57 PolarHBondContact O-N 2.85Å; S55-L58 PolarHBondContact O-N 2.78Å; S55-D59 WeakPolarHBondContact O-CB 3.34Å; S55-D59 VanDerWaalsContact O-CG 3.29Å; S55-D59 PolarHBondContact O-N 2.79Å
56	L	87.5	Confident	86.5	Confident	124 Å²	124	100.6 Å²	100.6	65%	0.649	51%	0.505	S	S	*	.	H	α-helix	trans	-64	-38	179.8	-154.4	85.7	0	0	0	112.2	Q52 M60	Q52-L56 VanDerWaalsContact O-CB 3.3Å; Q52-L56 WeakPolarHBondContact O-CB 3.45Å; Q52-L56 PolarHBondContact O-N 3.12Å; L56-M60 VanDerWaalsContact O-CB 3.31Å; L56-M60 WeakPolarHBondContact O-CB 3.44Å; L56-M60 PolarHBondContact O-N 3.45Å
57	D	87.7	Confident	86.3	Confident	71 Å²	71	97.8 Å²	97.8	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-67	-40.5	175.1	-170.7	48.1	0	0	0	111.6	L53 S55 M60 Q61	L53-D57 WeakPolarHBondContact O-CB 3.46Å; L53-D57 PolarHBondContact O-N 3.29Å; S55-D57 VanDerWaalsContact C-N 3.34Å; S55-D57 PolarHBondContact O-N 2.85Å; D57-M60 PolarHBondContact O-N 3.4Å; D57-M60 VanDerWaalsContact OD1-CE 3.29Å; D57-M60 WeakPolarHBondContact OD1-CE 3.49Å; D57-Q61 WeakPolarHBondContact O-CG 3.15Å; D57-Q61 PolarHBondContact O-N 2.99Å; D57-Q61 PolarHBondContact OD2-NE2 3.37Å
58	L	88.2	Confident	85.9	Confident	112 Å²	112	100.3 Å²	100.3	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-68.1	-38.3	177.2	-149.7	140.4	0	0	0	111.4	K54 S55 Q61 T62	K54-L58 WeakPolarHBondContact O-CB 3.37Å; K54-L58 PolarHBondContact O-N 3.4Å; K54-L58 VanDerWaalsContact O-N 3.14Å; S55-L58 PolarHBondContact O-N 2.78Å; L58-Q61 PolarHBondContact O-N 3.49Å; L58-T62 WeakPolarHBondContact O-CB 3.38Å; L58-T62 PolarHBondContact O-N 3.4Å; L58-T62 PolarHBondContact O-OG1 2.68Å
59	D	86.7	Confident	85.4	Confident	98 Å²	98	102 Å²	102	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-43.9	172.6	-73.9	-15.2	0	0	0	111.1	S55 T62 L63	S55-D59 WeakPolarHBondContact O-CB 3.34Å; S55-D59 VanDerWaalsContact O-CG 3.29Å; S55-D59 PolarHBondContact O-N 2.79Å; D59-T62 PolarHBondContact O-N 2.8Å; D59-L63 VanDerWaalsContact O-CB 3.32Å; D59-L63 WeakPolarHBondContact O-CB 3.07Å; D59-L63 PolarHBondContact O-N 3.33Å
60	M	84.5	Confident	85.4	Confident	110 Å²	110	104.1 Å²	104.1	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-45.3	176.4	179.9	-179.7	68.8	0	0	111.5	L56 D57 T62 L63 V64	L56-M60 VanDerWaalsContact O-CB 3.31Å; L56-M60 WeakPolarHBondContact O-CB 3.44Å; L56-M60 PolarHBondContact O-N 3.45Å; D57-M60 PolarHBondContact O-N 3.4Å; D57-M60 VanDerWaalsContact OD1-CE 3.29Å; D57-M60 WeakPolarHBondContact OD1-CE 3.49Å; M60-T62 VanDerWaalsContact C-N 3.32Å; M60-T62 PolarHBondContact O-N 3.45Å; M60-L63 PolarHBondContact O-N 3.31Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 2.69Å
61	Q	85.7	Confident	85.1	Confident	103 Å²	103	108.3 Å²	108.3	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-61.1	-43.4	175.7	-73	178.3	24.7	0	0	111.2	D57 L58 L63 V64 Y65	D57-Q61 WeakPolarHBondContact O-CG 3.15Å; D57-Q61 PolarHBondContact O-N 2.99Å; D57-Q61 PolarHBondContact OD2-NE2 3.37Å; L58-Q61 PolarHBondContact O-N 3.49Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-L63 PolarHBondContact O-N 2.9Å; Q61-V64 PolarHBondContact O-N 3.4Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.43Å; Q61-Y65 PolarHBondContact O-N 2.85Å
62	T	84.1	Confident	84.8	Confident	61 Å²	61	107 Å²	107	37%	0.374	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-43.7	175.6	-55.7	0	0	0	0	110.9	L58 D59 M60 V64 Y65 E66	L58-T62 WeakPolarHBondContact O-CB 3.38Å; L58-T62 PolarHBondContact O-N 3.4Å; L58-T62 PolarHBondContact O-OG1 2.68Å; D59-T62 PolarHBondContact O-N 2.8Å; M60-T62 VanDerWaalsContact C-N 3.32Å; M60-T62 PolarHBondContact O-N 3.45Å; T62-V64 PolarHBondContact O-N 2.7Å; T62-Y65 PolarHBondContact O-N 3.11Å; T62-E66 HydrophobicContact CG2-CG 4.25Å; T62-E66 WeakPolarHBondContact O-CB 3.43Å; T62-E66 WeakPolarHBondContact O-CG 3.22Å; T62-E66 PolarHBondContact O-N 3.39Å
63	L	82.4	Confident	84.6	Confident	109 Å²	109	106.1 Å²	106.1	57%	0.571	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-37.8	-179.9	-152.6	121.9	0	0	0	112.1	D59 M60 Q61 N67	D59-L63 VanDerWaalsContact O-CB 3.32Å; D59-L63 WeakPolarHBondContact O-CB 3.07Å; D59-L63 PolarHBondContact O-N 3.33Å; M60-L63 PolarHBondContact O-N 3.31Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-L63 PolarHBondContact O-N 2.9Å; L63-N67 WeakPolarHBondContact CD2-ND2 3.06Å; L63-N67 WeakPolarHBondContact O-CB 3.23Å; L63-N67 PolarHBondContact O-N 3.21Å; L63-N67 PolarHBondContact O-ND2 3.45Å
64	V	81.7	Confident	84.5	Confident	82 Å²	82	102.2 Å²	102.2	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-48.2	173	172.5	0	0	0	0	110.3	M60 Q61 T62 N67 Y68	M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 2.69Å; Q61-V64 PolarHBondContact O-N 3.4Å; T62-V64 PolarHBondContact O-N 2.7Å; V64-N67 PolarHBondContact O-N 3.42Å; V64-Y68 HydrophobicContact CG1-CD2 4.45Å; V64-Y68 WeakPolarHBondContact O-CB 3.5Å; V64-Y68 PolarHBondContact O-N 3.34Å
65	Y	78.6	Confident	84.5	Confident	182 Å²	182	99 Å²	99	71%	0.714	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-44.5	179.4	-97.1	-79	0	0	0	112.7	Q61 T62	Q61-Y65 WeakPolarHBondContact O-CD2 3.43Å; Q61-Y65 PolarHBondContact O-N 2.85Å; T62-Y65 PolarHBondContact O-N 3.11Å
66	E	79.6	Confident	84.5	Confident	104 Å²	104	99.8 Å²	99.8	49%	0.486	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-41.8	177.1	-77.2	-164.6	-175.5	0	0	112	T62 K70	T62-E66 HydrophobicContact CG2-CG 4.25Å; T62-E66 WeakPolarHBondContact O-CB 3.43Å; T62-E66 WeakPolarHBondContact O-CG 3.22Å; T62-E66 PolarHBondContact O-N 3.39Å; E66-K70 WeakPolarHBondContact O-CD 3.29Å; E66-K70 VanDerWaalsContact O-CG 3.29Å; E66-K70 WeakPolarHBondContact O-CG 3.2Å; E66-K70 PolarHBondContact O-N 3.5Å; E66-K70 IonicContact OE2-NZ 3.95Å; E66-K70 PolarHBondContact OE2-NZ 2.94Å
67	N	82.8	Confident	84.4	Confident	48 Å²	48	97.8 Å²	97.8	26%	0.257	50%	0.498	S	S	.	.	H	α-helix	trans	-77.7	-28.6	-178.5	-74.9	-44.7	0	0	0	113	L63 V64 N69 K70 F71	L63-N67 WeakPolarHBondContact CD2-ND2 3.06Å; L63-N67 WeakPolarHBondContact O-CB 3.23Å; L63-N67 PolarHBondContact O-N 3.21Å; L63-N67 PolarHBondContact O-ND2 3.45Å; V64-N67 PolarHBondContact O-N 3.42Å; N67-N69 VanDerWaalsContact C-N 3.32Å; N67-N69 PolarHBondContact O-N 2.99Å; N67-K70 CarbonylContact O-C 3.59Å; N67-K70 PolarHBondContact O-N 3.21Å; N67-K70 VanDerWaalsContact O-N 3.11Å; N67-F71 HydrophobicContact CB-CD2 4.04Å; N67-F71 HydrophobicContact CB-CE2 3.88Å; N67-F71 WeakPolarHBondContact O-CD2 3.19Å; N67-F71 PolarHBondContact O-N 3.28Å
68	Y	80.3	Confident	84.3	Confident	155 Å²	155	99.1 Å²	99.1	61%	0.608	51%	0.509	S	S	*	.	H	α-helix	trans	-59	-46.1	178.8	-137.7	-88.1	0	0	0	111.6	V64 K70 F71 I72	V64-Y68 HydrophobicContact CG1-CD2 4.45Å; V64-Y68 WeakPolarHBondContact O-CB 3.5Å; V64-Y68 PolarHBondContact O-N 3.34Å; Y68-K70 VanDerWaalsContact C-N 3.34Å; Y68-K70 PolarHBondContact O-N 3.06Å; Y68-F71 PolarHBondContact O-N 2.84Å; Y68-I72 HydrophobicContact CD1-CD1 3.94Å; Y68-I72 HydrophobicContact CE1-CD1 4.11Å; Y68-I72 WeakPolarHBondContact O-CG1 3.28Å; Y68-I72 PolarHBondContact O-N 2.84Å; Y68-I72 VanDerWaalsContact O-N 3.11Å
69	N	79.9	Confident	84.4	Confident	114 Å²	114	101.7 Å²	101.7	61%	0.61	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-41.6	175.3	-78.8	-27.3	0	0	0	111.4	N67 T73	N67-N69 VanDerWaalsContact C-N 3.32Å; N67-N69 PolarHBondContact O-N 2.99Å; N69-T73 PolarHBondContact O-N 3.25Å; N69-T73 PolarHBondContact O-OG1 3.32Å
70	K	84.9	Confident	84.4	Confident	110 Å²	110	100.1 Å²	100.1	48%	0.478	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-38.3	177.4	-67.1	169.4	-168.9	166.1	0	112.4	E66 N67 Y68 T73 A74	E66-K70 WeakPolarHBondContact O-CD 3.29Å; E66-K70 VanDerWaalsContact O-CG 3.29Å; E66-K70 WeakPolarHBondContact O-CG 3.2Å; E66-K70 PolarHBondContact O-N 3.5Å; E66-K70 IonicContact OE2-NZ 3.95Å; E66-K70 PolarHBondContact OE2-NZ 2.94Å; N67-K70 CarbonylContact O-C 3.59Å; N67-K70 PolarHBondContact O-N 3.21Å; N67-K70 VanDerWaalsContact O-N 3.11Å; Y68-K70 VanDerWaalsContact C-N 3.34Å; Y68-K70 PolarHBondContact O-N 3.06Å; K70-T73 WeakPolarHBondContact CA-OG1 3.41Å; K70-T73 PolarHBondContact O-OG1 2.93Å; K70-A74 WeakPolarHBondContact O-CB 3.31Å; K70-A74 PolarHBondContact O-N 2.78Å
71	F	85.1	Confident	84.5	Confident	141 Å²	141	99.7 Å²	99.7	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-71	-39.8	178.4	-80.4	-62.7	0	0	0	112.7	N67 Y68 A74 T75	N67-F71 HydrophobicContact CB-CD2 4.04Å; N67-F71 HydrophobicContact CB-CE2 3.88Å; N67-F71 WeakPolarHBondContact O-CD2 3.19Å; N67-F71 PolarHBondContact O-N 3.28Å; Y68-F71 PolarHBondContact O-N 2.84Å; F71-A74 PolarHBondContact O-N 3.12Å; F71-T75 WeakPolarHBondContact O-CB 3.43Å; F71-T75 PolarHBondContact O-N 3.26Å; F71-T75 PolarHBondContact O-OG1 3.4Å
72	I	82.9	Confident	84.6	Confident	85 Å²	85	103.5 Å²	103.5	44%	0.436	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-48.4	174.5	-67.4	177.5	0	0	0	109.7	Y68 A74 T75 D76	Y68-I72 HydrophobicContact CD1-CD1 3.94Å; Y68-I72 HydrophobicContact CE1-CD1 4.11Å; Y68-I72 WeakPolarHBondContact O-CG1 3.28Å; Y68-I72 PolarHBondContact O-N 2.84Å; Y68-I72 VanDerWaalsContact O-N 3.11Å; I72-A74 VanDerWaalsContact C-N 3.32Å; I72-A74 PolarHBondContact O-N 3.13Å; I72-T75 PolarHBondContact O-N 3.12Å; I72-T75 VanDerWaalsContact O-N 3.17Å; I72-D76 PolarHBondContact O-N 2.89Å
73	T	85.8	Confident	84.9	Confident	83 Å²	83	106.5 Å²	106.5	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-40.7	175.7	32.2	0	0	0	0	111.8	N69 K70 T75 D76 T77	N69-T73 PolarHBondContact O-N 3.25Å; N69-T73 PolarHBondContact O-OG1 3.32Å; K70-T73 WeakPolarHBondContact CA-OG1 3.41Å; K70-T73 PolarHBondContact O-OG1 2.93Å; T73-T75 PolarHBondContact O-N 3.41Å; T73-D76 PolarHBondContact O-N 3.17Å; T73-T77 WeakPolarHBondContact O-CB 3.39Å; T73-T77 PolarHBondContact O-N 2.85Å; T73-T77 PolarHBondContact O-OG1 2.99Å
74	A	86.6	Confident	85.1	Confident	48 Å²	48	103.8 Å²	103.8	40%	0.397	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.4	0	0	0	0	0	111.8	K70 F71 I72 T77 V78	K70-A74 WeakPolarHBondContact O-CB 3.31Å; K70-A74 PolarHBondContact O-N 2.78Å; F71-A74 PolarHBondContact O-N 3.12Å; I72-A74 VanDerWaalsContact C-N 3.32Å; I72-A74 PolarHBondContact O-N 3.13Å; A74-T77 PolarHBondContact O-N 3.29Å; A74-V78 WeakPolarHBondContact O-CB 3.37Å; A74-V78 VanDerWaalsContact O-CG2 3.24Å; A74-V78 WeakPolarHBondContact O-CG2 3.41Å; A74-V78 PolarHBondContact O-N 2.94Å
75	T	90.2	Very high	85.3	Confident	78 Å²	78	105.5 Å²	105.5	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-43.2	178.5	-56.9	0	0	0	0	111.8	F71 I72 T73 V78 R79	F71-T75 WeakPolarHBondContact O-CB 3.43Å; F71-T75 PolarHBondContact O-N 3.26Å; F71-T75 PolarHBondContact O-OG1 3.4Å; I72-T75 PolarHBondContact O-N 3.12Å; I72-T75 VanDerWaalsContact O-N 3.17Å; T73-T75 PolarHBondContact O-N 3.41Å; T75-V78 PolarHBondContact O-N 3.47Å; T75-R79 WeakPolarHBondContact O-CB 3.41Å; T75-R79 PolarHBondContact O-N 3.32Å
76	D	88.5	Confident	85.7	Confident	78 Å²	78	101.1 Å²	101.1	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-69.8	-34.5	176.5	-75.4	-26.4	0	0	0	111.9	I72 T73 R79 S80	I72-D76 PolarHBondContact O-N 2.89Å; T73-D76 PolarHBondContact O-N 3.17Å; D76-R79 PolarHBondContact O-N 2.92Å; D76-R79 IonicContact OD1-NH1 3.13Å; D76-R79 PolarHBondContact OD1-NH1 3.44Å; D76-R79 VanDerWaalsContact OD1-NH1 3.13Å; D76-S80 WeakPolarHBondContact O-CB 3.16Å; D76-S80 PolarHBondContact O-N 3.48Å
77	T	85.7	Confident	86.1	Confident	82 Å²	82	102.7 Å²	102.7	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-44	172.9	-57.6	0	0	0	0	110.3	T73 A74 R79 S80 M81	T73-T77 WeakPolarHBondContact O-CB 3.39Å; T73-T77 PolarHBondContact O-N 2.85Å; T73-T77 PolarHBondContact O-OG1 2.99Å; A74-T77 PolarHBondContact O-N 3.29Å; T77-R79 VanDerWaalsContact C-N 3.33Å; T77-R79 PolarHBondContact O-N 3.46Å; T77-S80 PolarHBondContact O-N 2.86Å; T77-M81 WeakPolarHBondContact O-CB 3.37Å; T77-M81 PolarHBondContact O-N 3.38Å
78	V	86.8	Confident	86.2	Confident	99 Å²	99	104.8 Å²	104.8	60%	0.6	51%	0.511	S	S	*	.	H	α-helix	trans	-63.7	-39.2	175.3	169.4	0	0	0	0	111.1	A74 T75 R82	A74-V78 WeakPolarHBondContact O-CB 3.37Å; A74-V78 VanDerWaalsContact O-CG2 3.24Å; A74-V78 WeakPolarHBondContact O-CG2 3.41Å; A74-V78 PolarHBondContact O-N 2.94Å; T75-V78 PolarHBondContact O-N 3.47Å; V78-R82 WeakPolarHBondContact O-CB 3.24Å; V78-R82 PolarHBondContact O-N 3.46Å
79	R	89.7	Confident	86.5	Confident	166 Å²	166	103.9 Å²	103.9	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-67.5	-45.5	176.7	-171.4	-176.7	-72.3	136.4	-5.9	111.9	T75 D76 T77 R82 Q83	T75-R79 WeakPolarHBondContact O-CB 3.41Å; T75-R79 PolarHBondContact O-N 3.32Å; D76-R79 PolarHBondContact O-N 2.92Å; D76-R79 IonicContact OD1-NH1 3.13Å; D76-R79 PolarHBondContact OD1-NH1 3.44Å; D76-R79 VanDerWaalsContact OD1-NH1 3.13Å; T77-R79 VanDerWaalsContact C-N 3.33Å; T77-R79 PolarHBondContact O-N 3.46Å; R79-R82 PolarHBondContact O-N 2.78Å; R79-Q83 PolarHBondContact O-N 2.8Å
80	S	87.6	Confident	87	Confident	65 Å²	65	99.9 Å²	99.9	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-49	174.3	-169.7	0	0	0	0	110.4	D76 T77 R82 Q83 D84	D76-S80 WeakPolarHBondContact O-CB 3.16Å; D76-S80 PolarHBondContact O-N 3.48Å; T77-S80 PolarHBondContact O-N 2.86Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 2.88Å; S80-Q83 CarbonylContact O-C 3.56Å; S80-Q83 WeakPolarHBondContact O-CA 3.47Å; S80-Q83 WeakPolarHBondContact O-CB 3.24Å; S80-Q83 PolarHBondContact O-N 2.84Å; S80-D84 WeakPolarHBondContact O-CB 3.14Å; S80-D84 PolarHBondContact O-N 3.21Å; S80-D84 PolarHBondContact OG-OD2 2.74Å
81	M	85.6	Confident	87.1	Confident	100 Å²	100	99.6 Å²	99.6	49%	0.493	50%	0.498	S	S	.	.	H	α-helix	trans	-56.8	-41.9	178	-179.6	-179.6	-80.5	0	0	111.2	T77 D84 F85	T77-M81 WeakPolarHBondContact O-CB 3.37Å; T77-M81 PolarHBondContact O-N 3.38Å; M81-D84 PolarHBondContact O-N 3.38Å; M81-F85 HydrophobicContact CG-CD2 3.59Å; M81-F85 HydrophobicContact CG-CE2 3.31Å; M81-F85 HydrophobicContact CG-CZ 4.42Å; M81-F85 WeakPolarHBondContact O-CB 3.47Å; M81-F85 WeakPolarHBondContact O-CD2 3.04Å; M81-F85 PolarHBondContact O-N 3.42Å; M81-F85 HydrophobicContact SD-CE2 3.85Å
82	R	86.9	Confident	86.9	Confident	183 Å²	183	98.2 Å²	98.2	69%	0.691	50%	0.495	S	S	*	.	H	α-helix	trans	-63.4	-42.9	174.5	-173.3	179.5	179.5	-166	-0.5	112.5	V78 R79 S80 F85 I86	V78-R82 WeakPolarHBondContact O-CB 3.24Å; V78-R82 PolarHBondContact O-N 3.46Å; R79-R82 PolarHBondContact O-N 2.78Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 2.88Å; R82-F85 PolarHBondContact O-N 2.77Å; R82-I86 HydrophobicContact CG-CD1 4.39Å; R82-I86 WeakPolarHBondContact O-CG1 3.18Å; R82-I86 PolarHBondContact O-N 3.29Å; R82-I86 VanDerWaalsContact O-N 3.12Å
83	Q	90.5	Very high	87.2	Confident	124 Å²	124	101 Å²	101	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-66.3	-39.9	177.3	-173.8	62.3	37.6	0	0	111.6	R79 S80 I86 R87	R79-Q83 PolarHBondContact O-N 2.8Å; S80-Q83 CarbonylContact O-C 3.56Å; S80-Q83 WeakPolarHBondContact O-CA 3.47Å; S80-Q83 WeakPolarHBondContact O-CB 3.24Å; S80-Q83 PolarHBondContact O-N 2.84Å; Q83-I86 PolarHBondContact O-N 2.78Å; Q83-R87 PolarHBondContact O-N 3.27Å
84	D	86.6	Confident	87.3	Confident	53 Å²	53	102 Å²	102	28%	0.283	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-38.9	176.5	-71.9	-41.8	0	0	0	111.3	S80 M81 R87 M88	S80-D84 WeakPolarHBondContact O-CB 3.14Å; S80-D84 PolarHBondContact O-N 3.21Å; S80-D84 PolarHBondContact OG-OD2 2.74Å; M81-D84 PolarHBondContact O-N 3.38Å; D84-R87 PolarHBondContact O-N 3.44Å; D84-R87 IonicContact OD1-CZ 3.49Å; D84-R87 IonicContact OD1-NH1 2.84Å; D84-R87 PolarHBondContact OD1-NH1 2.78Å; D84-R87 IonicContact OD1-NH2 3.75Å; D84-M88 WeakPolarHBondContact O-CB 3.25Å; D84-M88 PolarHBondContact O-N 3.49Å
85	F	86.8	Confident	87.3	Confident	118 Å²	118	104.7 Å²	104.7	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-40.2	173.8	-84.3	-60.4	0	0	0	112.6	M81 R82 M88 E89	M81-F85 HydrophobicContact CG-CD2 3.59Å; M81-F85 HydrophobicContact CG-CE2 3.31Å; M81-F85 HydrophobicContact CG-CZ 4.42Å; M81-F85 WeakPolarHBondContact O-CB 3.47Å; M81-F85 WeakPolarHBondContact O-CD2 3.04Å; M81-F85 PolarHBondContact O-N 3.42Å; M81-F85 HydrophobicContact SD-CE2 3.85Å; R82-F85 PolarHBondContact O-N 2.77Å; F85-M88 HydrophobicContact CD1-CE 4Å; F85-M88 HydrophobicContact CD1-SD 4.32Å; F85-M88 HydrophobicContact CE1-CE 4.15Å; F85-M88 HydrophobicContact CE1-SD 4.48Å; F85-M88 PolarHBondContact O-N 3.32Å; F85-E89 WeakPolarHBondContact O-CB 3.16Å; F85-E89 PolarHBondContact O-N 2.78Å
86	I	87.7	Confident	87.2	Confident	90 Å²	90	107.1 Å²	107.1	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-41.6	176	-66.2	165.8	0	0	0	110.8	R82 Q83 E89 G90	R82-I86 HydrophobicContact CG-CD1 4.39Å; R82-I86 WeakPolarHBondContact O-CG1 3.18Å; R82-I86 PolarHBondContact O-N 3.29Å; R82-I86 VanDerWaalsContact O-N 3.12Å; Q83-I86 PolarHBondContact O-N 2.78Å; I86-E89 PolarHBondContact O-N 2.88Å; I86-G90 PolarHBondContact O-N 3.37Å; I86-G90 VanDerWaalsContact O-N 3.13Å
87	R	86.9	Confident	87.3	Confident	137 Å²	137	109.9 Å²	109.9	52%	0.517	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-44.7	174.7	-169.2	-178.7	78	-122.4	-4.1	110.9	Q83 D84 E89 G90 E91	Q83-R87 PolarHBondContact O-N 3.27Å; D84-R87 PolarHBondContact O-N 3.44Å; D84-R87 IonicContact OD1-CZ 3.49Å; D84-R87 IonicContact OD1-NH1 2.84Å; D84-R87 PolarHBondContact OD1-NH1 2.78Å; D84-R87 IonicContact OD1-NH2 3.75Å; R87-E89 VanDerWaalsContact C-N 3.34Å; R87-E89 PolarHBondContact O-N 3.27Å; R87-G90 PolarHBondContact O-N 3.35Å; R87-E91 HydrophobicContact CG-CG 4.49Å; R87-E91 IonicContact NE-OE1 3.59Å; R87-E91 PolarHBondContact NE-OE1 3.49Å; R87-E91 WeakPolarHBondContact O-CB 3.31Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 3.02Å
88	M	85.8	Confident	87.3	Confident	92 Å²	92	108.3 Å²	108.3	45%	0.453	53%	0.526	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.9	-173	-171.4	-42.7	0	0	111.4	D84 F85 E91 M92	D84-M88 WeakPolarHBondContact O-CB 3.25Å; D84-M88 PolarHBondContact O-N 3.49Å; F85-M88 HydrophobicContact CD1-CE 4Å; F85-M88 HydrophobicContact CD1-SD 4.32Å; F85-M88 HydrophobicContact CE1-CE 4.15Å; F85-M88 HydrophobicContact CE1-SD 4.48Å; F85-M88 PolarHBondContact O-N 3.32Å; M88-E91 CarbonylContact O-C 3.59Å; M88-E91 PolarHBondContact O-N 2.93Å; M88-M92 WeakPolarHBondContact O-CB 3.48Å; M88-M92 PolarHBondContact O-N 3.5Å
89	E	85.4	Confident	87.2	Confident	136 Å²	136	108.8 Å²	108.8	64%	0.636	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-45.6	176.6	-169.4	169.6	-153.9	0	0	111.1	F85 I86 R87 M92 E93	F85-E89 WeakPolarHBondContact O-CB 3.16Å; F85-E89 PolarHBondContact O-N 2.78Å; I86-E89 PolarHBondContact O-N 2.88Å; R87-E89 VanDerWaalsContact C-N 3.34Å; R87-E89 PolarHBondContact O-N 3.27Å; E89-M92 PolarHBondContact O-N 3.41Å; E89-E93 PolarHBondContact O-N 3.12Å
90	G	90.4	Very high	87.2	Confident	29 Å²	29	104.8 Å²	104.8	30%	0.299	51%	0.514	S	S	.	.	H	α-helix	trans	-65.9	-38.3	173.6	0	0	0	0	0	113.6	I86 R87 M92 E93 N94	I86-G90 PolarHBondContact O-N 3.37Å; I86-G90 VanDerWaalsContact O-N 3.13Å; R87-G90 PolarHBondContact O-N 3.35Å; G90-M92 VanDerWaalsContact C-N 3.31Å; G90-E93 PolarHBondContact O-N 3.37Å; G90-N94 WeakPolarHBondContact O-CB 3.3Å; G90-N94 VanDerWaalsContact O-CG 3.28Å; G90-N94 PolarHBondContact O-N 3.41Å; G90-N94 PolarHBondContact O-ND2 3.16Å
91	E	86.8	Confident	87.3	Confident	104 Å²	104	105.1 Å²	105.1	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-64.5	-35.7	171.6	-76.4	176.3	-164.1	0	0	111.7	R87 M88 L95	R87-E91 HydrophobicContact CG-CG 4.49Å; R87-E91 IonicContact NE-OE1 3.59Å; R87-E91 PolarHBondContact NE-OE1 3.49Å; R87-E91 WeakPolarHBondContact O-CB 3.31Å; R87-E91 WeakPolarHBondContact O-CG 3.45Å; R87-E91 PolarHBondContact O-N 3.02Å; M88-E91 CarbonylContact O-C 3.59Å; M88-E91 PolarHBondContact O-N 2.93Å; E91-L95 WeakPolarHBondContact O-CB 3.23Å; E91-L95 PolarHBondContact O-N 3.15Å
92	M	82.7	Confident	87.3	Confident	113 Å²	113	104.7 Å²	104.7	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-74.8	-32.6	-179.8	-155.8	160.7	86.8	0	0	111.5	M88 E89 G90 L95 M96	M88-M92 WeakPolarHBondContact O-CB 3.48Å; M88-M92 PolarHBondContact O-N 3.5Å; E89-M92 PolarHBondContact O-N 3.41Å; G90-M92 VanDerWaalsContact C-N 3.31Å; M92-L95 PolarHBondContact O-N 3.25Å; M92-M96 WeakPolarHBondContact O-CB 3.24Å; M92-M96 PolarHBondContact O-N 2.92Å
93	E	88.1	Confident	87.3	Confident	143 Å²	143	98.7 Å²	98.7	67%	0.668	50%	0.496	S	S	*	.	H	α-helix	trans	-68.6	-46.5	171.5	-160.6	169.4	-152.9	0	0	111.1	E89 G90 L95 M96 E97	E89-E93 PolarHBondContact O-N 3.12Å; G90-E93 PolarHBondContact O-N 3.37Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.48Å; E93-M96 WeakPolarHBondContact O-CB 3.37Å; E93-M96 PolarHBondContact O-N 3.49Å; E93-M96 VanDerWaalsContact O-N 3.09Å; E93-E97 PolarHBondContact O-N 3.3Å
94	N	88.6	Confident	87.3	Confident	105 Å²	105	99 Å²	99	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-60.3	-39.5	171.3	-72.4	-31.1	0	0	0	111.8	G90 M96 S98	G90-N94 WeakPolarHBondContact O-CB 3.3Å; G90-N94 VanDerWaalsContact O-CG 3.28Å; G90-N94 PolarHBondContact O-N 3.41Å; G90-N94 PolarHBondContact O-ND2 3.16Å; N94-M96 VanDerWaalsContact C-N 3.32Å; N94-S98 WeakPolarHBondContact O-CB 3.2Å; N94-S98 PolarHBondContact O-N 3.35Å
95	L	86.9	Confident	87.2	Confident	104 Å²	104	100.2 Å²	100.2	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-36.8	175.7	-179.5	64.7	0	0	0	110.8	E91 M92 E93 S98 M99	E91-L95 WeakPolarHBondContact O-CB 3.23Å; E91-L95 PolarHBondContact O-N 3.15Å; M92-L95 PolarHBondContact O-N 3.25Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.48Å; L95-S98 CarbonylContact O-C 3.57Å; L95-S98 PolarHBondContact O-N 3.41Å; L95-M99 WeakPolarHBondContact O-CA 3.45Å; L95-M99 VanDerWaalsContact O-CB 3.23Å; L95-M99 WeakPolarHBondContact O-CB 3.42Å; L95-M99 PolarHBondContact O-N 3.27Å
96	M	87.1	Confident	87.1	Confident	129 Å²	129	97.6 Å²	97.6	64%	0.635	50%	0.504	S	S	*	.	H	α-helix	trans	-67.7	-43.5	177.7	-165.7	178.2	-55.2	0	0	111.1	M92 E93 N94 M99 D100	M92-M96 WeakPolarHBondContact O-CB 3.24Å; M92-M96 PolarHBondContact O-N 2.92Å; E93-M96 WeakPolarHBondContact O-CB 3.37Å; E93-M96 PolarHBondContact O-N 3.49Å; E93-M96 VanDerWaalsContact O-N 3.09Å; N94-M96 VanDerWaalsContact C-N 3.32Å; M96-M99 PolarHBondContact O-N 2.86Å; M96-D100 WeakPolarHBondContact O-CB 3.45Å; M96-D100 PolarHBondContact O-N 3.22Å
97	E	91.3	Very high	87	Confident	135 Å²	135	97.9 Å²	97.9	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-44.1	173.3	-170.4	177.1	-163.6	0	0	111.3	E93 M99 D100 T101	E93-E97 PolarHBondContact O-N 3.3Å; E97-M99 PolarHBondContact O-N 3.38Å; E97-D100 PolarHBondContact O-N 2.99Å; E97-T101 WeakPolarHBondContact O-CG2 3.49Å; E97-T101 PolarHBondContact O-N 2.85Å; E97-T101 PolarHBondContact O-OG1 2.89Å
98	S	84.8	Confident	87	Confident	50 Å²	50	95 Å²	95	35%	0.35	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-42.3	173.2	-170.9	0	0	0	0	111.5	N94 L95 D100 T101 I102	N94-S98 WeakPolarHBondContact O-CB 3.2Å; N94-S98 PolarHBondContact O-N 3.35Å; L95-S98 CarbonylContact O-C 3.57Å; L95-S98 PolarHBondContact O-N 3.41Å; S98-D100 VanDerWaalsContact C-N 3.32Å; S98-D100 PolarHBondContact O-N 3.38Å; S98-T101 WeakPolarHBondContact CA-OG1 3.35Å; S98-T101 PolarHBondContact O-N 3.13Å; S98-T101 PolarHBondContact O-OG1 2.78Å; S98-I102 VanDerWaalsContact O-CB 3.25Å; S98-I102 WeakPolarHBondContact O-CB 3.27Å; S98-I102 WeakPolarHBondContact O-CD1 3.43Å; S98-I102 WeakPolarHBondContact O-CG1 3.24Å; S98-I102 PolarHBondContact O-N 3.11Å
99	M	85	Confident	86.9	Confident	109 Å²	109	95.6 Å²	95.6	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-38	175.5	-107.1	-71.6	-163.9	0	0	111.4	L95 M96 E97 T103	L95-M99 WeakPolarHBondContact O-CA 3.45Å; L95-M99 VanDerWaalsContact O-CB 3.23Å; L95-M99 WeakPolarHBondContact O-CB 3.42Å; L95-M99 PolarHBondContact O-N 3.27Å; M96-M99 PolarHBondContact O-N 2.86Å; E97-M99 PolarHBondContact O-N 3.38Å; M99-T103 WeakPolarHBondContact O-CA 3.36Å; M99-T103 WeakPolarHBondContact O-CB 3.16Å; M99-T103 PolarHBondContact O-N 2.98Å; M99-T103 PolarHBondContact O-OG1 2.61Å
100	D	89.2	Confident	86.8	Confident	81 Å²	81	91.4 Å²	91.4	43%	0.433	50%	0.497	S	S	.	.	H	α-helix	trans	-71.1	-39.6	179.3	-159.1	51.1	0	0	0	111.2	M96 E97 S98 T103 K104	M96-D100 WeakPolarHBondContact O-CB 3.45Å; M96-D100 PolarHBondContact O-N 3.22Å; E97-D100 PolarHBondContact O-N 2.99Å; S98-D100 VanDerWaalsContact C-N 3.32Å; S98-D100 PolarHBondContact O-N 3.38Å; D100-T103 PolarHBondContact O-N 3.5Å; D100-K104 WeakPolarHBondContact O-CB 3.09Å; D100-K104 WeakPolarHBondContact O-CG 3.23Å; D100-K104 PolarHBondContact O-N 3.11Å; D100-K104 IonicContact OD2-NZ 2.73Å; D100-K104 PolarHBondContact OD2-NZ 3.3Å
101	T	90.1	Very high	86.3	Confident	72 Å²	72	93.4 Å²	93.4	44%	0.442	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-40.1	173	61.4	0	0	0	0	112.3	E97 S98 K104 S105	E97-T101 WeakPolarHBondContact O-CG2 3.49Å; E97-T101 PolarHBondContact O-N 2.85Å; E97-T101 PolarHBondContact O-OG1 2.89Å; S98-T101 WeakPolarHBondContact CA-OG1 3.35Å; S98-T101 PolarHBondContact O-N 3.13Å; S98-T101 PolarHBondContact O-OG1 2.78Å; T101-K104 PolarHBondContact O-N 2.94Å; T101-S105 VanDerWaalsContact O-CB 3.32Å; T101-S105 WeakPolarHBondContact O-CB 3.37Å; T101-S105 PolarHBondContact O-N 2.79Å; T101-S105 PolarHBondContact O-OG 2.97Å
102	I	84.9	Confident	86.1	Confident	91 Å²	91	93.7 Å²	93.7	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-41.4	172.6	-70.8	165.1	0	0	0	109.7	S98 S105 S106	S98-I102 VanDerWaalsContact O-CB 3.25Å; S98-I102 WeakPolarHBondContact O-CB 3.27Å; S98-I102 WeakPolarHBondContact O-CD1 3.43Å; S98-I102 WeakPolarHBondContact O-CG1 3.24Å; S98-I102 PolarHBondContact O-N 3.11Å; I102-S105 CarbonylContact O-C 3.57Å; I102-S105 PolarHBondContact O-N 3.46Å; I102-S106 WeakPolarHBondContact O-CA 3.25Å; I102-S106 WeakPolarHBondContact O-CB 2.99Å; I102-S106 PolarHBondContact O-N 3.47Å
103	T	88.6	Confident	86	Confident	58 Å²	58	92.3 Å²	92.3	36%	0.356	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-43.4	179.7	-61.6	0	0	0	0	110.2	M99 D100 S106 N107	M99-T103 WeakPolarHBondContact O-CA 3.36Å; M99-T103 WeakPolarHBondContact O-CB 3.16Å; M99-T103 PolarHBondContact O-N 2.98Å; M99-T103 PolarHBondContact O-OG1 2.61Å; D100-T103 PolarHBondContact O-N 3.5Å; T103-S106 PolarHBondContact O-N 3.38Å; T103-N107 VanDerWaalsContact O-CB 3.23Å; T103-N107 WeakPolarHBondContact O-CB 3.12Å; T103-N107 PolarHBondContact O-N 2.8Å; T103-N107 PolarHBondContact O-ND2 3.22Å
104	K	89	Confident	85.7	Confident	131 Å²	131	88.6 Å²	88.6	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-59.5	-48.7	172.1	-76.2	165.6	177.7	148.5	0	111.7	D100 T101 N107 S108	D100-K104 WeakPolarHBondContact O-CB 3.09Å; D100-K104 WeakPolarHBondContact O-CG 3.23Å; D100-K104 PolarHBondContact O-N 3.11Å; D100-K104 IonicContact OD2-NZ 2.73Å; D100-K104 PolarHBondContact OD2-NZ 3.3Å; T101-K104 PolarHBondContact O-N 2.94Å; K104-N107 PolarHBondContact O-N 2.63Å; K104-S108 PolarHBondContact O-N 2.82Å
105	S	84.6	Confident	85.2	Confident	78 Å²	78	89.2 Å²	89.2	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-39	179.1	-57.2	0	0	0	0	112.3	T101 I102 S108 L109	T101-S105 VanDerWaalsContact O-CB 3.32Å; T101-S105 WeakPolarHBondContact O-CB 3.37Å; T101-S105 PolarHBondContact O-N 2.79Å; T101-S105 PolarHBondContact O-OG 2.97Å; I102-S105 CarbonylContact O-C 3.57Å; I102-S105 PolarHBondContact O-N 3.46Å; S105-S108 PolarHBondContact O-N 2.75Å; S105-L109 VanDerWaalsContact O-CB 3.28Å; S105-L109 WeakPolarHBondContact O-CB 3.29Å; S105-L109 PolarHBondContact O-N 2.82Å
106	S	85.3	Confident	84.7	Confident	62 Å²	62	89.8 Å²	89.8	43%	0.434	49%	0.487	S	S	.	.	H	α-helix	trans	-70.9	-35.6	177.6	-179.1	0	0	0	0	111.3	I102 T103 L109 S110	I102-S106 WeakPolarHBondContact O-CA 3.25Å; I102-S106 WeakPolarHBondContact O-CB 2.99Å; I102-S106 PolarHBondContact O-N 3.47Å; T103-S106 PolarHBondContact O-N 3.38Å; S106-L109 PolarHBondContact O-N 3.31Å; S106-S110 WeakPolarHBondContact O-CA 3.33Å; S106-S110 WeakPolarHBondContact O-CB 3.19Å; S106-S110 PolarHBondContact O-N 3.47Å; S106-S110 PolarHBondContact O-OG 2.84Å
107	N	86.5	Confident	84.2	Confident	97 Å²	97	91.6 Å²	91.6	52%	0.519	49%	0.487	S	S	.	.	H	α-helix	trans	-66.4	-42.1	173.2	-73.3	-18.1	0	0	0	110.7	T103 K104 S110 S111	T103-N107 VanDerWaalsContact O-CB 3.23Å; T103-N107 WeakPolarHBondContact O-CB 3.12Å; T103-N107 PolarHBondContact O-N 2.8Å; T103-N107 PolarHBondContact O-ND2 3.22Å; K104-N107 PolarHBondContact O-N 2.63Å; N107-S110 WeakPolarHBondContact CA-OG 3.2Å; N107-S110 PolarHBondContact O-OG 3.32Å; N107-S111 PolarHBondContact O-N 2.87Å; N107-S111 PolarHBondContact O-OG 3.42Å
108	S	86.3	Confident	83.5	Confident	75 Å²	75	92 Å²	92	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-65.1	-43	173	-170.5	0	0	0	0	112.7	K104 S105 S111 E112	K104-S108 PolarHBondContact O-N 2.82Å; S105-S108 PolarHBondContact O-N 2.75Å; S108-S111 PolarHBondContact O-OG 3.43Å; S108-E112 PolarHBondContact O-N 2.99Å
109	L	83.7	Confident	83.2	Confident	105 Å²	105	93.8 Å²	93.8	55%	0.55	49%	0.489	S	S	.	.	H	α-helix	trans	-71.2	-38.6	179.4	-171	70.2	0	0	0	110.8	S105 S106 E112 L113	S105-L109 VanDerWaalsContact O-CB 3.28Å; S105-L109 WeakPolarHBondContact O-CB 3.29Å; S105-L109 PolarHBondContact O-N 2.82Å; S106-L109 PolarHBondContact O-N 3.31Å; L109-E112 PolarHBondContact O-N 3.34Å; L109-L113 HydrophobicContact CD1-CG 4.47Å; L109-L113 HydrophobicContact CD2-CD1 4.1Å; L109-L113 HydrophobicContact CG-CD1 3.8Å; L109-L113 HydrophobicContact CG-CG 4.15Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 VanDerWaalsContact O-CG 3.22Å; L109-L113 WeakPolarHBondContact O-CG 3.41Å; L109-L113 PolarHBondContact O-N 3.41Å
110	S	83.8	Confident	82.8	Confident	48 Å²	48	94.6 Å²	94.6	34%	0.336	49%	0.493	S	S	.	.	H	α-helix	trans	-68.2	-34.1	176.9	66.8	0	0	0	0	111.7	S106 N107 L113 V114	S106-S110 WeakPolarHBondContact O-CA 3.33Å; S106-S110 WeakPolarHBondContact O-CB 3.19Å; S106-S110 PolarHBondContact O-N 3.47Å; S106-S110 PolarHBondContact O-OG 2.84Å; N107-S110 WeakPolarHBondContact CA-OG 3.2Å; N107-S110 PolarHBondContact O-OG 3.32Å; S110-L113 CarbonylContact O-C 3.59Å; S110-L113 PolarHBondContact O-N 3.38Å; S110-V114 WeakPolarHBondContact O-CA 3.36Å; S110-V114 WeakPolarHBondContact O-CB 3.46Å; S110-V114 WeakPolarHBondContact O-CG2 3.31Å; S110-V114 PolarHBondContact O-N 2.8Å
111	S	80.1	Confident	82.2	Confident	71 Å²	71	94.6 Å²	94.6	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-44.5	172.9	55.6	0	0	0	0	111.7	N107 S108 V114 Q115	N107-S111 PolarHBondContact O-N 2.87Å; N107-S111 PolarHBondContact O-OG 3.42Å; S108-S111 PolarHBondContact O-OG 3.43Å; S111-V114 PolarHBondContact O-N 3.13Å; S111-Q115 PolarHBondContact O-N 2.78Å
112	E	82.6	Confident	81.7	Confident	110 Å²	110	98.6 Å²	98.6	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-46	174.8	-75.1	-65.3	141.8	0	0	111.6	S108 L109 V114 Q115 K116	S108-E112 PolarHBondContact O-N 2.99Å; L109-E112 PolarHBondContact O-N 3.34Å; E112-V114 PolarHBondContact O-N 3.35Å; E112-Q115 PolarHBondContact O-N 2.96Å; E112-K116 WeakPolarHBondContact O-CG 3.23Å; E112-K116 PolarHBondContact O-N 2.92Å
113	L	80.5	Confident	81.3	Confident	84 Å²	84	98.7 Å²	98.7	44%	0.44	50%	0.499	S	S	.	.	H	α-helix	trans	-70.8	-28.1	179	-73.5	177.4	0	0	0	112.6	L109 S110 Q115 K116 R117	L109-L113 HydrophobicContact CD1-CG 4.47Å; L109-L113 HydrophobicContact CD2-CD1 4.1Å; L109-L113 HydrophobicContact CG-CD1 3.8Å; L109-L113 HydrophobicContact CG-CG 4.15Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 VanDerWaalsContact O-CG 3.22Å; L109-L113 WeakPolarHBondContact O-CG 3.41Å; L109-L113 PolarHBondContact O-N 3.41Å; S110-L113 CarbonylContact O-C 3.59Å; S110-L113 PolarHBondContact O-N 3.38Å; L113-Q115 VanDerWaalsContact C-N 3.34Å; L113-K116 CarbonylContact O-C 3.6Å; L113-K116 PolarHBondContact O-N 2.92Å; L113-R117 WeakPolarHBondContact O-CA 3.44Å; L113-R117 WeakPolarHBondContact O-CB 3.35Å; L113-R117 PolarHBondContact O-N 3.29Å
114	V	80.6	Confident	80.9	Confident	65 Å²	65	98.6 Å²	98.6	39%	0.394	50%	0.501	S	S	.	.	H	α-helix	trans	-68.3	-40	174.6	162.9	0	0	0	0	109.4	S110 S111 E112 R117 K118	S110-V114 WeakPolarHBondContact O-CA 3.36Å; S110-V114 WeakPolarHBondContact O-CB 3.46Å; S110-V114 WeakPolarHBondContact O-CG2 3.31Å; S110-V114 PolarHBondContact O-N 2.8Å; S111-V114 PolarHBondContact O-N 3.13Å; E112-V114 PolarHBondContact O-N 3.35Å; V114-R117 PolarHBondContact O-N 3Å; V114-K118 HydrophobicContact CG1-CD 4.32Å; V114-K118 WeakPolarHBondContact O-CB 3.37Å; V114-K118 VanDerWaalsContact O-CG 3.27Å; V114-K118 WeakPolarHBondContact O-CG 2.89Å; V114-K118 PolarHBondContact O-N 3.25Å
115	Q	78	Confident	80.2	Confident	118 Å²	118	99.8 Å²	99.8	55%	0.551	50%	0.502	S	S	*	.	H	α-helix	trans	-65.3	-47.5	173.7	-159.9	-174.7	7.4	0	0	110.6	S111 E112 L113 R117 K118 E119	S111-Q115 PolarHBondContact O-N 2.78Å; E112-Q115 PolarHBondContact O-N 2.96Å; L113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-R117 VanDerWaalsContact C-N 3.34Å; Q115-R117 PolarHBondContact O-N 3.23Å; Q115-K118 PolarHBondContact O-N 3.49Å; Q115-E119 PolarHBondContact O-N 2.88Å
116	K	77.1	Confident	79.9	Confident	116 Å²	116	99.2 Å²	99.2	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-32.9	176.2	-70.3	-72	164.5	-155.8	0	113.6	E112 L113 E119 M120	E112-K116 WeakPolarHBondContact O-CG 3.23Å; E112-K116 PolarHBondContact O-N 2.92Å; L113-K116 CarbonylContact O-C 3.6Å; L113-K116 PolarHBondContact O-N 2.92Å; K116-E119 IonicContact NZ-OE2 2.92Å; K116-E119 PolarHBondContact NZ-OE2 3.43Å; K116-E119 PolarHBondContact O-N 2.91Å; K116-M120 VanDerWaalsContact O-CB 3.22Å; K116-M120 WeakPolarHBondContact O-CB 3.44Å; K116-M120 PolarHBondContact O-N 3.34Å
117	R	77.1	Confident	79.4	Confident	168 Å²	168	103.6 Å²	103.6	63%	0.634	51%	0.506	S	S	*	.	H	α-helix	trans	-71	-41.4	175.1	-176.5	-175.4	-65.7	179.1	-0.9	109.8	L113 V114 Q115 E119 M120 E121	L113-R117 WeakPolarHBondContact O-CA 3.44Å; L113-R117 WeakPolarHBondContact O-CB 3.35Å; L113-R117 PolarHBondContact O-N 3.29Å; V114-R117 PolarHBondContact O-N 3Å; Q115-R117 VanDerWaalsContact C-N 3.34Å; Q115-R117 PolarHBondContact O-N 3.23Å; R117-E119 VanDerWaalsContact C-N 3.32Å; R117-E119 PolarHBondContact O-N 3.24Å; R117-M120 CarbonylContact O-C 3.59Å; R117-M120 PolarHBondContact O-N 3.02Å; R117-E121 WeakPolarHBondContact O-CA 3.27Å; R117-E121 WeakPolarHBondContact O-CB 3.31Å; R117-E121 PolarHBondContact O-N 3.27Å
118	K	76.1	Confident	78.9	Confident	142 Å²	142	101.8 Å²	101.8	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-61.6	-41.5	172.6	-76.2	176.3	-179	-178.8	0	111.3	V114 Q115 R122	V114-K118 HydrophobicContact CG1-CD 4.32Å; V114-K118 WeakPolarHBondContact O-CB 3.37Å; V114-K118 VanDerWaalsContact O-CG 3.27Å; V114-K118 WeakPolarHBondContact O-CG 2.89Å; V114-K118 PolarHBondContact O-N 3.25Å; Q115-K118 PolarHBondContact O-N 3.49Å; K118-R122 WeakPolarHBondContact O-CB 3.48Å; K118-R122 PolarHBondContact O-N 2.85Å
119	E	79	Confident	78.3	Confident	88 Å²	88	102.3 Å²	102.3	41%	0.411	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-48.8	173.3	-73.2	-176	155.6	0	0	111.8	Q115 K116 R117 E121 R122 L123	Q115-E119 PolarHBondContact O-N 2.88Å; K116-E119 IonicContact NZ-OE2 2.92Å; K116-E119 PolarHBondContact NZ-OE2 3.43Å; K116-E119 PolarHBondContact O-N 2.91Å; R117-E119 VanDerWaalsContact C-N 3.32Å; R117-E119 PolarHBondContact O-N 3.24Å; E119-E121 PolarHBondContact O-N 2.8Å; E119-R122 PolarHBondContact O-N 2.8Å; E119-L123 WeakPolarHBondContact O-CB 3.21Å; E119-L123 VanDerWaalsContact O-CG 3.28Å; E119-L123 WeakPolarHBondContact O-CG 3.45Å; E119-L123 PolarHBondContact O-N 3.47Å
120	M	75	Confident	77.8	Confident	127 Å²	127	101 Å²	101	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-64.3	-38	178.6	-178.3	62.9	75.8	0	0	112.1	K116 R117 L123 S124	K116-M120 VanDerWaalsContact O-CB 3.22Å; K116-M120 WeakPolarHBondContact O-CB 3.44Å; K116-M120 PolarHBondContact O-N 3.34Å; R117-M120 CarbonylContact O-C 3.59Å; R117-M120 PolarHBondContact O-N 3.02Å; M120-L123 CarbonylContact O-C 3.58Å; M120-L123 PolarHBondContact O-N 3.5Å; M120-S124 WeakPolarHBondContact O-CA 2.98Å; M120-S124 VanDerWaalsContact O-CB 3.23Å; M120-S124 WeakPolarHBondContact O-CB 3.26Å; M120-S124 PolarHBondContact O-N 3.47Å; M120-S124 PolarHBondContact O-OG 2.91Å
121	E	76.7	Confident	77.3	Confident	80 Å²	80	105.7 Å²	105.7	37%	0.374	51%	0.511	S	S	.	.	H	α-helix	trans	-72.5	-38.6	179.6	-167.6	-177.7	174	0	0	110.5	R117 E119 L123 S124 R125	R117-E121 WeakPolarHBondContact O-CA 3.27Å; R117-E121 WeakPolarHBondContact O-CB 3.31Å; R117-E121 PolarHBondContact O-N 3.27Å; E119-E121 PolarHBondContact O-N 2.8Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-S124 WeakPolarHBondContact CA-OG 3.48Å; E121-S124 PolarHBondContact O-N 3.27Å; E121-S124 PolarHBondContact O-OG 2.94Å; E121-S124 VanDerWaalsContact O-OG 3.11Å; E121-R125 VanDerWaalsContact O-CB 3.29Å; E121-R125 WeakPolarHBondContact O-CB 3.29Å; E121-R125 WeakPolarHBondContact O-CG 3.43Å; E121-R125 PolarHBondContact O-N 3.39Å; E121-R125 IonicContact OE1-CZ 3.48Å; E121-R125 IonicContact OE1-NE 3.42Å; E121-R125 PolarHBondContact OE1-NE 2.96Å; E121-R125 IonicContact OE1-NH2 2.7Å; E121-R125 PolarHBondContact OE1-NH2 3.32Å
122	R	79.6	Confident	76.8	Confident	156 Å²	156	106.1 Å²	106.1	59%	0.589	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-46.6	169.1	-167.1	-166.8	71.5	81.8	0.5	110.4	K118 E119 V126	K118-R122 WeakPolarHBondContact O-CB 3.48Å; K118-R122 PolarHBondContact O-N 2.85Å; E119-R122 PolarHBondContact O-N 2.8Å; R122-V126 WeakPolarHBondContact O-CB 3.42Å; R122-V126 WeakPolarHBondContact O-CG2 3.34Å; R122-V126 PolarHBondContact O-N 3.46Å
123	L	77.6	Confident	76.1	Confident	93 Å²	93	103 Å²	103	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-35.5	177.8	-73.1	169.2	0	0	0	112.5	E119 M120 E121 K127	E119-L123 WeakPolarHBondContact O-CB 3.21Å; E119-L123 VanDerWaalsContact O-CG 3.28Å; E119-L123 WeakPolarHBondContact O-CG 3.45Å; E119-L123 PolarHBondContact O-N 3.47Å; M120-L123 CarbonylContact O-C 3.58Å; M120-L123 PolarHBondContact O-N 3.5Å; E121-L123 VanDerWaalsContact C-N 3.34Å; L123-K127 WeakPolarHBondContact O-CB 3.49Å; L123-K127 PolarHBondContact O-N 3.36Å
124	S	78.8	Confident	75.9	Confident	57 Å²	57	105.2 Å²	105.2	40%	0.399	50%	0.5	S	S	.	.	H	α-helix	trans	-75	-39.9	179.4	77	0	0	0	0	111.3	M120 E121 K127 A128	M120-S124 WeakPolarHBondContact O-CA 2.98Å; M120-S124 VanDerWaalsContact O-CB 3.23Å; M120-S124 WeakPolarHBondContact O-CB 3.26Å; M120-S124 PolarHBondContact O-N 3.47Å; M120-S124 PolarHBondContact O-OG 2.91Å; E121-S124 WeakPolarHBondContact CA-OG 3.48Å; E121-S124 PolarHBondContact O-N 3.27Å; E121-S124 PolarHBondContact O-OG 2.94Å; E121-S124 VanDerWaalsContact O-OG 3.11Å; S124-K127 CarbonylContact O-C 3.58Å; S124-K127 PolarHBondContact O-N 3.39Å; S124-A128 VanDerWaalsContact O-CB 3.24Å; S124-A128 WeakPolarHBondContact O-CB 3.42Å; S124-A128 PolarHBondContact O-N 2.8Å
125	R	75.8	Confident	75.3	Confident	156 Å²	156	107 Å²	107	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-61.6	-46.8	170.9	-72.5	176.4	-169.1	-140.2	7.3	110.5	E121 K127 A128 I129	E121-R125 VanDerWaalsContact O-CB 3.29Å; E121-R125 WeakPolarHBondContact O-CB 3.29Å; E121-R125 WeakPolarHBondContact O-CG 3.43Å; E121-R125 PolarHBondContact O-N 3.39Å; E121-R125 IonicContact OE1-CZ 3.48Å; E121-R125 IonicContact OE1-NE 3.42Å; E121-R125 PolarHBondContact OE1-NE 2.96Å; E121-R125 IonicContact OE1-NH2 2.7Å; E121-R125 PolarHBondContact OE1-NH2 3.32Å; R125-K127 PolarHBondContact O-N 3.2Å; R125-A128 PolarHBondContact O-N 2.95Å; R125-I129 WeakPolarHBondContact O-CB 3.37Å; R125-I129 VanDerWaalsContact O-CG1 3.25Å; R125-I129 WeakPolarHBondContact O-CG1 3.43Å; R125-I129 PolarHBondContact O-N 3.36Å
126	V	77.5	Confident	74.9	Confident	66 Å²	66	101.4 Å²	101.4	40%	0.4	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-44.9	174.8	171.5	0	0	0	0	110.5	R122 A128 I129 V130	R122-V126 WeakPolarHBondContact O-CB 3.42Å; R122-V126 WeakPolarHBondContact O-CG2 3.34Å; R122-V126 PolarHBondContact O-N 3.46Å; V126-A128 VanDerWaalsContact C-N 3.34Å; V126-A128 PolarHBondContact O-N 3.35Å; V126-I129 PolarHBondContact O-N 3.36Å; V126-V130 HydrophobicContact CG1-CG2 4.1Å; V126-V130 VanDerWaalsContact O-CB 3.3Å; V126-V130 WeakPolarHBondContact O-CB 3.31Å; V126-V130 WeakPolarHBondContact O-CG2 3.38Å; V126-V130 PolarHBondContact O-N 3.18Å
127	K	75.8	Confident	74.6	Confident	153 Å²	153	100.8 Å²	100.8	67%	0.665	47%	0.474	S	S	*	.	H	α-helix	trans	-63.1	-38.8	176.6	-176.9	177.9	179.4	178.5	0	112.1	L123 S124 R125 V130 K131	L123-K127 WeakPolarHBondContact O-CB 3.49Å; L123-K127 PolarHBondContact O-N 3.36Å; S124-K127 CarbonylContact O-C 3.58Å; S124-K127 PolarHBondContact O-N 3.39Å; R125-K127 PolarHBondContact O-N 3.2Å; K127-V130 PolarHBondContact O-N 3.37Å; K127-K131 WeakPolarHBondContact O-CB 3.35Å; K127-K131 PolarHBondContact O-N 3.28Å
128	A	76	Confident	74.7	Confident	60 Å²	60	94.8 Å²	94.8	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-65.3	-48.2	177	0	0	0	0	0	110.4	S124 R125 V126 V130 K131 H132	S124-A128 VanDerWaalsContact O-CB 3.24Å; S124-A128 WeakPolarHBondContact O-CB 3.42Å; S124-A128 PolarHBondContact O-N 2.8Å; R125-A128 PolarHBondContact O-N 2.95Å; V126-A128 VanDerWaalsContact C-N 3.34Å; V126-A128 PolarHBondContact O-N 3.35Å; A128-V130 PolarHBondContact O-N 3.46Å; A128-K131 PolarHBondContact O-N 3.19Å; A128-H132 VanDerWaalsContact O-CB 3.29Å; A128-H132 WeakPolarHBondContact O-CB 3.27Å; A128-H132 PolarHBondContact O-N 3.01Å
129	I	72.7	Confident	74.8	Confident	86 Å²	86	88.1 Å²	88.1	44%	0.441	43%	0.428	S	S	.	.	H	α-helix	trans	-60.4	-46.8	174.9	-66.4	164.6	0	0	0	110.3	R125 V126 K131 H132 L133	R125-I129 WeakPolarHBondContact O-CB 3.37Å; R125-I129 VanDerWaalsContact O-CG1 3.25Å; R125-I129 WeakPolarHBondContact O-CG1 3.43Å; R125-I129 PolarHBondContact O-N 3.36Å; V126-I129 PolarHBondContact O-N 3.36Å; I129-K131 PolarHBondContact O-N 3.12Å; I129-H132 PolarHBondContact O-N 3.09Å; I129-L133 HydrophobicContact CG2-CD1 3.82Å; I129-L133 HydrophobicContact CG2-CG 4.26Å; I129-L133 VanDerWaalsContact O-CB 3.31Å; I129-L133 WeakPolarHBondContact O-CB 3.14Å; I129-L133 VanDerWaalsContact O-CG 3.23Å; I129-L133 WeakPolarHBondContact O-CG 3.3Å; I129-L133 PolarHBondContact O-N 2.99Å
130	V	73.4	Confident	74.8	Confident	77 Å²	77	84.2 Å²	84.2	47%	0.467	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-40.4	178.5	170.1	0	0	0	0	111.4	V126 K127 A128 L133 Q134	V126-V130 HydrophobicContact CG1-CG2 4.1Å; V126-V130 VanDerWaalsContact O-CB 3.3Å; V126-V130 WeakPolarHBondContact O-CB 3.31Å; V126-V130 WeakPolarHBondContact O-CG2 3.38Å; V126-V130 PolarHBondContact O-N 3.18Å; K127-V130 PolarHBondContact O-N 3.37Å; A128-V130 PolarHBondContact O-N 3.46Å; V130-L133 PolarHBondContact O-N 2.79Å; V130-Q134 VanDerWaalsContact O-CB 3.23Å; V130-Q134 WeakPolarHBondContact O-CB 3.32Å; V130-Q134 PolarHBondContact O-N 3.1Å
131	K	73.4	Confident	75	Confident	147 Å²	147	81.5 Å²	81.5	64%	0.639	40%	0.404	S	S	*	.	H	α-helix	trans	-68.6	-38.7	176.6	-168.3	-177.4	-180	-171.5	0	111.2	K127 A128 I129 Q134 F135	K127-K131 WeakPolarHBondContact O-CB 3.35Å; K127-K131 PolarHBondContact O-N 3.28Å; A128-K131 PolarHBondContact O-N 3.19Å; I129-K131 PolarHBondContact O-N 3.12Å; K131-Q134 PolarHBondContact O-N 3.37Å; K131-F135 VanDerWaalsContact O-CB 3.31Å; K131-F135 WeakPolarHBondContact O-CB 3.46Å; K131-F135 PolarHBondContact O-N 2.88Å
132	H	69	Low	75.1	Confident	80 Å²	80	79.5 Å²	79.5	37%	0.37	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-44.7	175.6	-148.5	72.4	0	0	0	110.6	A128 I129 F135 L136 F169	A128-H132 VanDerWaalsContact O-CB 3.29Å; A128-H132 WeakPolarHBondContact O-CB 3.27Å; A128-H132 PolarHBondContact O-N 3.01Å; I129-H132 PolarHBondContact O-N 3.09Å; H132-F135 PolarHBondContact O-N 3.06Å; H132-L136 WeakPolarHBondContact O-CB 3.29Å; H132-L136 WeakPolarHBondContact O-CD1 2.72Å; H132-L136 WeakPolarHBondContact O-CG 3.14Å; H132-L136 PolarHBondContact O-N 3.38Å; H132-F169 AromaticContact CD2-CE2 3.8Å
133	L	69.2	Low	75	Confident	44 Å²	44	72.1 Å²	72.1	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-61.7	-46.7	172.5	-73.5	173.2	0	0	0	111.5	I129 V130 F135 L136 F137 L175	I129-L133 HydrophobicContact CG2-CD1 3.82Å; I129-L133 HydrophobicContact CG2-CG 4.26Å; I129-L133 VanDerWaalsContact O-CB 3.31Å; I129-L133 WeakPolarHBondContact O-CB 3.14Å; I129-L133 VanDerWaalsContact O-CG 3.23Å; I129-L133 WeakPolarHBondContact O-CG 3.3Å; I129-L133 PolarHBondContact O-N 2.99Å; V130-L133 PolarHBondContact O-N 2.79Å; L133-F135 VanDerWaalsContact C-N 3.26Å; L133-F135 PolarHBondContact O-N 2.85Å; L133-L136 HydrophobicContact CD2-CD1 4.27Å; L133-L136 CarbonylContact O-C 3.59Å; L133-L136 WeakPolarHBondContact O-CA 3.11Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 2.92Å; L133-L136 VanDerWaalsContact O-N 3.13Å; L133-F137 VanDerWaalsContact C-CD2 3.5Å; L133-F137 HydrophobicContact CB-CD2 4.33Å; L133-F137 HydrophobicContact CB-CE2 4.05Å; L133-F137 WeakPolarHBondContact O-CD2 3.48Å; L133-F137 WeakPolarHBondContact O-CG 3.46Å; L133-F137 PolarHBondContact O-N 2.74Å; L133-L175 HydrophobicContact CD2-CD1 3.8Å; L133-L175 HydrophobicContact CD2-CD2 4.22Å; L133-L175 HydrophobicContact CD2-CG 4.41Å
134	Q	75	Confident	75.2	Confident	131 Å²	131	71.7 Å²	71.7	61%	0.612	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-40.1	177.6	-172.5	178.2	8.5	0	0	111.2	V130 K131 F137 S138	V130-Q134 VanDerWaalsContact O-CB 3.23Å; V130-Q134 WeakPolarHBondContact O-CB 3.32Å; V130-Q134 PolarHBondContact O-N 3.1Å; K131-Q134 PolarHBondContact O-N 3.37Å; Q134-F137 PolarHBondContact O-N 3.11Å; Q134-S138 PolarHBondContact O-N 3.47Å; Q134-S138 PolarHBondContact O-OG 3.28Å
135	F	69	Low	75.3	Confident	103 Å²	103	72.2 Å²	72.2	45%	0.452	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-43.6	175.2	-166.7	-130.8	0	0	0	110.9	K131 H132 L133 F137 S138 F139 Y162	K131-F135 VanDerWaalsContact O-CB 3.31Å; K131-F135 WeakPolarHBondContact O-CB 3.46Å; K131-F135 PolarHBondContact O-N 2.88Å; H132-F135 PolarHBondContact O-N 3.06Å; L133-F135 VanDerWaalsContact C-N 3.26Å; L133-F135 PolarHBondContact O-N 2.85Å; F135-F137 VanDerWaalsContact C-N 3.31Å; F135-F137 PolarHBondContact O-N 3.49Å; F135-S138 WeakPolarHBondContact CA-OG 3.38Å; F135-S138 CarbonylContact O-C 3.6Å; F135-S138 PolarHBondContact O-N 3.38Å; F135-S138 PolarHBondContact O-OG 3.36Å; F135-F139 PolarHBondContact O-N 3.26Å; F135-Y162 AromaticContact CD1-CE2 3.83Å; F135-Y162 HydrophobicContact CD1-CE2 3.83Å; F135-Y162 AromaticContact CD1-CZ 3.6Å; F135-Y162 WeakPolarHBondContact CD1-OH 3.49Å; F135-Y162 AromaticContact CE1-CE2 3.38Å; F135-Y162 HydrophobicContact CE1-CE2 3.38Å; F135-Y162 AromaticContact CE1-CZ 3.67Å; F135-Y162 WeakPolarHBondContact CE1-OH 3.37Å; F135-Y162 WeakPolarHBondContact CG-OH 3.48Å; F135-Y162 HydrophobicContact CZ-CE2 4.1Å; F135-Y162 PolarHBondContact O-OH 3.03Å; F135-Y162 VanDerWaalsContact O-OH 3.12Å
136	L	68.9	Low	75.5	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-40	172	-77.3	152.4	0	0	0	112.4	H132 L133 F139 Y162 F166 F169 L175	H132-L136 WeakPolarHBondContact O-CB 3.29Å; H132-L136 WeakPolarHBondContact O-CD1 2.72Å; H132-L136 WeakPolarHBondContact O-CG 3.14Å; H132-L136 PolarHBondContact O-N 3.38Å; L133-L136 HydrophobicContact CD2-CD1 4.27Å; L133-L136 CarbonylContact O-C 3.59Å; L133-L136 WeakPolarHBondContact O-CA 3.11Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 2.92Å; L133-L136 VanDerWaalsContact O-N 3.13Å; L136-F139 WeakPolarHBondContact O-CB 3.33Å; L136-F139 PolarHBondContact O-N 2.83Å; L136-Y162 HydrophobicContact CB-CE1 4.27Å; L136-Y162 HydrophobicContact CD2-CD1 3.62Å; L136-Y162 HydrophobicContact CD2-CE1 3.3Å; L136-Y162 HydrophobicContact CG-CD1 4.46Å; L136-Y162 HydrophobicContact CG-CE1 3.67Å; L136-Y162 PolarHBondContact N-OH 2.91Å; L136-F166 HydrophobicContact CD2-CD1 3.86Å; L136-F166 HydrophobicContact CD2-CD2 4.04Å; L136-F166 HydrophobicContact CD2-CE1 3.59Å; L136-F166 HydrophobicContact CD2-CE2 3.79Å; L136-F166 HydrophobicContact CD2-CG 4.07Å; L136-F166 HydrophobicContact CD2-CZ 3.56Å; L136-F169 HydrophobicContact CD1-CD2 4.31Å; L136-L175 HydrophobicContact CB-CD2 4.23Å
137	F	71.2	Confident	75.6	Confident	103 Å²	103	67.9 Å²	67.9	45%	0.452	35%	0.348	S	S	.	.	H	α-helix	trans	-68.1	-33.9	175.4	-74	-64.8	0	0	0	112.5	L133 Q134 F135 L175 L178	L133-F137 VanDerWaalsContact C-CD2 3.5Å; L133-F137 HydrophobicContact CB-CD2 4.33Å; L133-F137 HydrophobicContact CB-CE2 4.05Å; L133-F137 WeakPolarHBondContact O-CD2 3.48Å; L133-F137 WeakPolarHBondContact O-CG 3.46Å; L133-F137 PolarHBondContact O-N 2.74Å; Q134-F137 PolarHBondContact O-N 3.11Å; F135-F137 VanDerWaalsContact C-N 3.31Å; F135-F137 PolarHBondContact O-N 3.49Å; F137-L175 HydrophobicContact CE1-CD2 4.45Å; F137-L175 HydrophobicContact CZ-CD2 4.34Å; F137-L178 HydrophobicContact CD1-CD1 3.16Å; F137-L178 HydrophobicContact CD1-CG 4.47Å; F137-L178 HydrophobicContact CE1-CD1 3.26Å; F137-L178 HydrophobicContact CG-CD1 4.3Å; F137-L178 HydrophobicContact CZ-CD1 4.45Å
138	S	79.2	Confident	75.8	Confident	41 Å²	41	68 Å²	68	29%	0.287	35%	0.351	S	S	.	.	H	α-helix	trans	-87.5	-3.9	176.4	63.1	0	0	0	0	114.2	Q134 F135 S141 T142	Q134-S138 PolarHBondContact O-N 3.47Å; Q134-S138 PolarHBondContact O-OG 3.28Å; F135-S138 WeakPolarHBondContact CA-OG 3.38Å; F135-S138 CarbonylContact O-C 3.6Å; F135-S138 PolarHBondContact O-N 3.38Å; F135-S138 PolarHBondContact O-OG 3.36Å; S138-S141 PolarHBondContact O-N 2.78Å; S138-S141 PolarHBondContact O-OG 3.28Å; S138-T142 WeakPolarHBondContact O-CB 3.38Å; S138-T142 PolarHBondContact O-N 2.84Å; S138-T142 PolarHBondContact O-OG1 3.22Å
139	F	78.8	Confident	76.1	Confident	3 Å²	3	68.1 Å²	68.1	1%	0.013	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-43.3	-175	-171.9	-112	0	0	0	113	F135 L136 S141 T142 L143 A158 Y162 F166 T182	F135-F139 PolarHBondContact O-N 3.26Å; L136-F139 WeakPolarHBondContact O-CB 3.33Å; L136-F139 PolarHBondContact O-N 2.83Å; F139-S141 VanDerWaalsContact C-N 3.31Å; F139-S141 PolarHBondContact O-N 3.35Å; F139-T142 PolarHBondContact O-N 3.12Å; F139-T142 VanDerWaalsContact O-N 3.17Å; F139-L143 HydrophobicContact CE1-CD2 4.46Å; F139-L143 HydrophobicContact CZ-CD1 4.43Å; F139-L143 VanDerWaalsContact O-CB 3.3Å; F139-L143 WeakPolarHBondContact O-CB 3.34Å; F139-L143 PolarHBondContact O-N 2.82Å; F139-A158 HydrophobicContact CE2-CB 4.02Å; F139-A158 HydrophobicContact CZ-CB 4.24Å; F139-Y162 HydrophobicContact CB-CD1 4.4Å; F139-Y162 HydrophobicContact CB-CE1 3.79Å; F139-Y162 HydrophobicContact CB-CE2 4.48Å; F139-Y162 AromaticContact CD1-CD1 3.91Å; F139-Y162 HydrophobicContact CD1-CD1 3.91Å; F139-Y162 HydrophobicContact CD1-CD2 4.41Å; F139-Y162 HydrophobicContact CD1-CE1 4.15Å; F139-Y162 AromaticContact CD1-CG 4Å; F139-Y162 HydrophobicContact CD1-CG 4Å; F139-Y162 HydrophobicContact CD2-CD1 4.19Å; F139-Y162 AromaticContact CD2-CD2 3.53Å; F139-Y162 HydrophobicContact CD2-CD2 3.53Å; F139-Y162 AromaticContact CD2-CE1 3.95Å; F139-Y162 HydrophobicContact CD2-CE1 3.95Å; F139-Y162 AromaticContact CD2-CE2 3.25Å; F139-Y162 HydrophobicContact CD2-CE2 3.25Å; F139-Y162 AromaticContact CD2-CG 3.95Å; F139-Y162 HydrophobicContact CD2-CG 3.95Å; F139-Y162 AromaticContact CD2-CZ 3.46Å; F139-Y162 VanDerWaalsContact CD2-CZ 3.46Å; F139-Y162 HydrophobicContact CE1-CD1 4.21Å; F139-Y162 HydrophobicContact CE1-CD2 4.22Å; F139-Y162 AromaticContact CE1-CG 3.85Å; F139-Y162 HydrophobicContact CE1-CG 3.85Å; F139-Y162 HydrophobicContact CE2-CD1 4.48Å; F139-Y162 AromaticContact CE2-CD2 3.31Å; F139-Y162 HydrophobicContact CE2-CD2 3.31Å; F139-Y162 AromaticContact CE2-CE2 3.49Å; F139-Y162 HydrophobicContact CE2-CE2 3.49Å; F139-Y162 VanDerWaalsContact CE2-CE2 3.49Å; F139-Y162 AromaticContact CE2-CG 3.81Å; F139-Y162 HydrophobicContact CE2-CG 3.81Å; F139-Y162 AromaticContact CG-CD1 3.89Å; F139-Y162 HydrophobicContact CG-CD1 3.89Å; F139-Y162 HydrophobicContact CG-CD2 4.09Å; F139-Y162 AromaticContact CG-CE1 3.68Å; F139-Y162 HydrophobicContact CG-CE1 3.68Å; F139-Y162 AromaticContact CG-CE2 3.89Å; F139-Y162 HydrophobicContact CG-CE2 3.89Å; F139-Y162 HydrophobicContact CG-CG 4.04Å; F139-Y162 AromaticContact CG-CZ 3.66Å; F139-Y162 HydrophobicContact CZ-CD1 4.49Å; F139-Y162 AromaticContact CZ-CD2 3.69Å; F139-Y162 HydrophobicContact CZ-CD2 3.69Å; F139-Y162 HydrophobicContact CZ-CE2 4.29Å; F139-Y162 AromaticContact CZ-CG 3.76Å; F139-Y162 HydrophobicContact CZ-CG 3.76Å; F139-F166 HydrophobicContact CD1-CE2 4.34Å; F139-T182 HydrophobicContact CD1-CG2 3.73Å; F139-T182 HydrophobicContact CE1-CG2 3.63Å
140	P	78.9	Confident	76.2	Confident	6 Å²	6	68.7 Å²	68.7	4%	0.039	36%	0.36	C	S	.	.	H	α-helix	trans	-56.8	-42.1	177.1	-25.4	34.3	0	0	0	113.1	L143 Q144 L178 I185	P140-L143 PolarHBondContact O-N 2.98Å; P140-Q144 WeakPolarHBondContact O-CB 3.28Å; P140-Q144 WeakPolarHBondContact O-CG 3.4Å; P140-Q144 PolarHBondContact O-N 2.92Å; P140-L178 HydrophobicContact CG-CD2 3.9Å; P140-I185 HydrophobicContact CB-CD1 3.74Å
141	S	78.8	Confident	76.5	Confident	69 Å²	69	68.7 Å²	68.7	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-72.7	-36.3	178.4	54	0	0	0	0	112.5	S138 F139 L143 Q144 S145	S138-S141 PolarHBondContact O-N 2.78Å; S138-S141 PolarHBondContact O-OG 3.28Å; F139-S141 VanDerWaalsContact C-N 3.31Å; F139-S141 PolarHBondContact O-N 3.35Å; S141-L143 VanDerWaalsContact C-N 3.34Å; S141-Q144 PolarHBondContact O-N 2.83Å; S141-S145 WeakPolarHBondContact O-CB 3.39Å; S141-S145 PolarHBondContact O-N 3.35Å
142	T	78.3	Confident	76.9	Confident	39 Å²	39	62.8 Å²	62.8	24%	0.239	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-42.1	173.8	-51.1	0	0	0	0	110.6	S138 F139 S145 Y146	S138-T142 WeakPolarHBondContact O-CB 3.38Å; S138-T142 PolarHBondContact O-N 2.84Å; S138-T142 PolarHBondContact O-OG1 3.22Å; F139-T142 PolarHBondContact O-N 3.12Å; F139-T142 VanDerWaalsContact O-N 3.17Å; T142-S145 WeakPolarHBondContact O-CB 3.44Å; T142-S145 PolarHBondContact O-N 3.15Å; T142-Y146 HydrophobicContact CG2-CD2 4.06Å; T142-Y146 HydrophobicContact CG2-CE2 3.57Å; T142-Y146 WeakPolarHBondContact O-CD2 3.49Å; T142-Y146 PolarHBondContact O-N 2.87Å
143	L	78.5	Confident	77.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-45.4	176.4	-173	69.4	0	0	0	111.2	F139 P140 S141 S145 Y146 I147 A155 T182 I185 I186	F139-L143 HydrophobicContact CE1-CD2 4.46Å; F139-L143 HydrophobicContact CZ-CD1 4.43Å; F139-L143 VanDerWaalsContact O-CB 3.3Å; F139-L143 WeakPolarHBondContact O-CB 3.34Å; F139-L143 PolarHBondContact O-N 2.82Å; P140-L143 PolarHBondContact O-N 2.98Å; S141-L143 VanDerWaalsContact C-N 3.34Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.11Å; L143-Y146 PolarHBondContact O-N 3.39Å; L143-I147 HydrophobicContact CG-CD1 4.19Å; L143-I147 VanDerWaalsContact O-CG1 3.28Å; L143-I147 WeakPolarHBondContact O-CG1 3.42Å; L143-I147 PolarHBondContact O-N 3.05Å; L143-A155 HydrophobicContact CD1-CB 3.88Å; L143-T182 HydrophobicContact CD2-CG2 4.13Å; L143-I185 HydrophobicContact CD2-CB 4.04Å; L143-I185 HydrophobicContact CD2-CG2 3.54Å; L143-I185 HydrophobicContact CG-CG2 3.97Å; L143-I186 HydrophobicContact CD2-CD1 3.9Å; L143-I186 HydrophobicContact CD2-CG1 3.58Å
144	Q	80.8	Confident	77.8	Confident	85 Å²	85	60.9 Å²	60.9	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-37.6	172	-76.1	175.7	1.4	0	0	112.1	P140 S141 I147 Q148 I185	P140-Q144 WeakPolarHBondContact O-CB 3.28Å; P140-Q144 WeakPolarHBondContact O-CG 3.4Å; P140-Q144 PolarHBondContact O-N 2.92Å; S141-Q144 PolarHBondContact O-N 2.83Å; Q144-I147 PolarHBondContact O-N 2.87Å; Q144-Q148 WeakPolarHBondContact O-CB 3.38Å; Q144-Q148 VanDerWaalsContact O-CG 3.24Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 2.94Å; Q144-I185 HydrophobicContact CG-CD1 4.05Å; Q144-I185 HydrophobicContact CG-CG1 4.4Å; Q144-I185 HydrophobicContact CG-CG2 4.28Å
145	S	81.5	Confident	78	Confident	68 Å²	68	54.7 Å²	54.7	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-39.4	175.1	-176	0	0	0	0	112.4	S141 T142 L143 Q148 A149	S141-S145 WeakPolarHBondContact O-CB 3.39Å; S141-S145 PolarHBondContact O-N 3.35Å; T142-S145 WeakPolarHBondContact O-CB 3.44Å; T142-S145 PolarHBondContact O-N 3.15Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.11Å; S145-Q148 PolarHBondContact O-N 2.87Å; S145-A149 WeakPolarHBondContact O-CB 3.37Å; S145-A149 PolarHBondContact O-N 3.2Å
146	Y	80.9	Confident	78.4	Confident	91 Å²	91	49.8 Å²	49.8	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-66.2	-41.2	174.8	-74.1	-59.5	0	0	0	111.8	T142 L143 A149 T150 D151 A154	T142-Y146 HydrophobicContact CG2-CD2 4.06Å; T142-Y146 HydrophobicContact CG2-CE2 3.57Å; T142-Y146 WeakPolarHBondContact O-CD2 3.49Å; T142-Y146 PolarHBondContact O-N 2.87Å; L143-Y146 PolarHBondContact O-N 3.39Å; Y146-A149 CarbonylContact O-C 3.5Å; Y146-A149 PolarHBondContact O-N 3.33Å; Y146-T150 PolarHBondContact O-N 3.42Å; Y146-D151 PolarHBondContact O-N 3.27Å; Y146-A154 HydrophobicContact CD1-CB 3.98Å; Y146-A154 HydrophobicContact CE1-CB 4.04Å
147	I	79.5	Confident	78.8	Confident	39 Å²	39	54.7 Å²	54.7	20%	0.2	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-41.9	176.2	-64.1	169	0	0	0	110.7	L143 Q144 A149 T150 I185 L189	L143-I147 HydrophobicContact CG-CD1 4.19Å; L143-I147 VanDerWaalsContact O-CG1 3.28Å; L143-I147 WeakPolarHBondContact O-CG1 3.42Å; L143-I147 PolarHBondContact O-N 3.05Å; Q144-I147 PolarHBondContact O-N 2.87Å; I147-A149 VanDerWaalsContact C-N 3.28Å; I147-A149 PolarHBondContact O-N 3.16Å; I147-T150 PolarHBondContact O-N 2.84Å; I147-T150 VanDerWaalsContact O-N 3.12Å; I147-I185 HydrophobicContact CD1-CG2 3.45Å; I147-I185 VanDerWaalsContact CD1-CG2 3.45Å; I147-L189 HydrophobicContact CD1-CB 4.05Å; I147-L189 HydrophobicContact CD1-CD1 4.44Å; I147-L189 HydrophobicContact CD1-CD2 4.25Å; I147-L189 HydrophobicContact CD1-CG 4.47Å; I147-L189 HydrophobicContact CG1-CD1 4.1Å; I147-L189 HydrophobicContact CG1-CD2 4.19Å; I147-L189 HydrophobicContact CG2-CD1 4.47Å
148	Q	79.4	Confident	79.1	Confident	156 Å²	156	50.7 Å²	50.7	73%	0.729	29%	0.294	S	S	*	.	H	α-helix	trans	-65.2	-30.4	175	-74.9	173.6	7.4	0	0	113	Q144 S145 T150	Q144-Q148 WeakPolarHBondContact O-CB 3.38Å; Q144-Q148 VanDerWaalsContact O-CG 3.24Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 2.94Å; S145-Q148 PolarHBondContact O-N 2.87Å; Q148-T150 VanDerWaalsContact C-N 3.25Å; Q148-T150 PolarHBondContact O-N 2.84Å
149	A	82.3	Confident	79.1	Confident	62 Å²	62	49.9 Å²	49.9	51%	0.512	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.8	175.3	0	0	0	0	0	113.4	S145 Y146 I147 D151	S145-A149 WeakPolarHBondContact O-CB 3.37Å; S145-A149 PolarHBondContact O-N 3.2Å; Y146-A149 CarbonylContact O-C 3.5Å; Y146-A149 PolarHBondContact O-N 3.33Å; I147-A149 VanDerWaalsContact C-N 3.28Å; I147-A149 PolarHBondContact O-N 3.16Å; A149-D151 PolarHBondContact O-N 3.38Å; A149-D151 VanDerWaalsContact O-N 3.11Å
150	T	74.6	Confident	79.1	Confident	99 Å²	99	53 Å²	53	61%	0.607	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	13.7	-176.5	60.2	0	0	0	0	115.3	Y146 I147 Q148 Y152	Y146-T150 PolarHBondContact O-N 3.42Å; I147-T150 PolarHBondContact O-N 2.84Å; I147-T150 VanDerWaalsContact O-N 3.12Å; Q148-T150 VanDerWaalsContact C-N 3.25Å; Q148-T150 PolarHBondContact O-N 2.84Å; T150-Y152 PolarHBondContact O-N 3.31Å; T150-Y152 VanDerWaalsContact O-N 3.14Å
151	D	80.4	Confident	78.9	Confident	76 Å²	76	58.4 Å²	58.4	41%	0.406	32%	0.324	S	S	.	.			trans	-89.6	76.3	176.2	-171.2	-10.1	0	0	0	110.1	Y146 A149 A153 A154 A155	Y146-D151 PolarHBondContact O-N 3.27Å; A149-D151 PolarHBondContact O-N 3.38Å; A149-D151 VanDerWaalsContact O-N 3.11Å; D151-A153 VanDerWaalsContact C-N 3.25Å; D151-A153 PolarHBondContact O-N 2.95Å; D151-A153 PolarHBondContact OD1-N 3.46Å; D151-A154 HydrophobicContact CB-CB 4.38Å; D151-A154 VanDerWaalsContact CG-CB 3.49Å; D151-A154 WeakPolarHBondContact OD1-CB 3.42Å; D151-A154 PolarHBondContact OD1-N 2.97Å; D151-A154 WeakPolarHBondContact OD2-CB 3.4Å; D151-A155 PolarHBondContact O-N 2.82Å
152	Y	80.4	Confident	78.8	Confident	24 Å²	24	55.9 Å²	55.9	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-29.5	-178.6	-52	-46	0	0	0	112.4	T150 A155 V156 L189 H192 L193 E196 H210	T150-Y152 PolarHBondContact O-N 3.31Å; T150-Y152 VanDerWaalsContact O-N 3.14Å; Y152-A155 PolarHBondContact O-N 3.21Å; Y152-V156 WeakPolarHBondContact O-CG2 3.35Å; Y152-V156 PolarHBondContact O-N 2.74Å; Y152-L189 HydrophobicContact CD1-CD1 3.56Å; Y152-L189 HydrophobicContact CE1-CD1 3.88Å; Y152-L189 HydrophobicContact CG-CD1 4.37Å; Y152-H192 PolarHBondContact OH-CD2 3.36Å; Y152-H192 PolarHBondContact OH-NE2 3.49Å; Y152-L193 HydrophobicContact CD2-CD2 3.66Å; Y152-L193 HydrophobicContact CE2-CD2 4.03Å; Y152-L193 HydrophobicContact CG-CD2 3.97Å; Y152-E196 WeakPolarHBondContact CE2-OE2 3.43Å; Y152-E196 PolarHBondContact OH-OE2 3.48Å; Y152-H210 AromaticContact CE2-NE2 3.99Å
153	A	78.1	Confident	78.5	Confident	56 Å²	56	58.2 Å²	58.2	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-46.6	-179.7	0	0	0	0	0	112	D151 A155 H157 L213	D151-A153 VanDerWaalsContact C-N 3.25Å; D151-A153 PolarHBondContact O-N 2.95Å; D151-A153 PolarHBondContact OD1-N 3.46Å; A153-A155 VanDerWaalsContact C-N 3.3Å; A153-A155 PolarHBondContact O-N 3.14Å; A153-H157 WeakPolarHBondContact O-CB 3.18Å; A153-H157 PolarHBondContact O-N 2.95Å; A153-L213 HydrophobicContact CB-CD2 4.21Å
154	A	79.1	Confident	78.2	Confident	27 Å²	27	62.9 Å²	62.9	22%	0.223	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-40.5	173.8	0	0	0	0	0	111.5	Y146 D151 A158	Y146-A154 HydrophobicContact CD1-CB 3.98Å; Y146-A154 HydrophobicContact CE1-CB 4.04Å; D151-A154 HydrophobicContact CB-CB 4.38Å; D151-A154 VanDerWaalsContact CG-CB 3.49Å; D151-A154 WeakPolarHBondContact OD1-CB 3.42Å; D151-A154 PolarHBondContact OD1-N 2.97Å; D151-A154 WeakPolarHBondContact OD2-CB 3.4Å; A154-A158 WeakPolarHBondContact O-CB 3.48Å; A154-A158 PolarHBondContact O-N 2.86Å
155	A	79.7	Confident	77.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-50.1	178.9	0	0	0	0	0	112.6	L143 D151 Y152 A153 A158 Y159 L189	L143-A155 HydrophobicContact CD1-CB 3.88Å; D151-A155 PolarHBondContact O-N 2.82Å; Y152-A155 PolarHBondContact O-N 3.21Å; A153-A155 VanDerWaalsContact C-N 3.3Å; A153-A155 PolarHBondContact O-N 3.14Å; A155-A158 PolarHBondContact O-N 3.42Å; A155-Y159 PolarHBondContact O-N 3.25Å; A155-L189 HydrophobicContact CB-CD2 4.16Å
156	V	78.3	Confident	77.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-41.7	-179	175.4	0	0	0	0	111.5	Y152 Y159 Q160 L189 L213 K216 L217	Y152-V156 WeakPolarHBondContact O-CG2 3.35Å; Y152-V156 PolarHBondContact O-N 2.74Å; V156-Y159 PolarHBondContact O-N 2.98Å; V156-Q160 PolarHBondContact O-N 3.33Å; V156-L189 HydrophobicContact CG2-CD2 4.37Å; V156-L213 HydrophobicContact CB-CD2 3.79Å; V156-L213 HydrophobicContact CG1-CD2 4.17Å; V156-L213 HydrophobicContact CG2-CB 4.31Å; V156-L213 HydrophobicContact CG2-CD2 3.91Å; V156-K216 HydrophobicContact CG1-CB 3.65Å; V156-K216 HydrophobicContact CG1-CD 4.42Å; V156-L217 HydrophobicContact CB-CD2 4.47Å; V156-L217 HydrophobicContact CG1-CD2 4Å; V156-L217 HydrophobicContact CG1-CG 4.03Å; V156-L217 HydrophobicContact CG2-CD1 3.92Å; V156-L217 HydrophobicContact CG2-CD2 3.94Å; V156-L217 HydrophobicContact CG2-CG 3.88Å
157	H	76.4	Confident	76.7	Confident	103 Å²	103	58 Å²	58	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-42.7	177.4	-178.2	-98.1	0	0	0	111.7	A153 Y159 Q160 Q161	A153-H157 WeakPolarHBondContact O-CB 3.18Å; A153-H157 PolarHBondContact O-N 2.95Å; H157-Y159 VanDerWaalsContact C-N 3.28Å; H157-Y159 PolarHBondContact O-N 2.91Å; H157-Q160 PolarHBondContact O-N 2.82Å; H157-Q161 PolarHBondContact CE1-NE2 3.17Å; H157-Q161 WeakPolarHBondContact O-CG 3.44Å; H157-Q161 PolarHBondContact O-N 3.47Å
158	A	77.2	Confident	76.2	Confident	18 Å²	18	63.3 Å²	63.3	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-40.1	174.4	0	0	0	0	0	111.3	F139 A154 A155 Y162	F139-A158 HydrophobicContact CE2-CB 4.02Å; F139-A158 HydrophobicContact CZ-CB 4.24Å; A154-A158 WeakPolarHBondContact O-CB 3.48Å; A154-A158 PolarHBondContact O-N 2.86Å; A155-A158 PolarHBondContact O-N 3.42Å; A158-Y162 WeakPolarHBondContact O-CB 3.3Å; A158-Y162 WeakPolarHBondContact O-CD2 3.32Å; A158-Y162 PolarHBondContact O-N 3.01Å; A158-Y162 VanDerWaalsContact O-N 3.09Å
159	Y	79.8	Confident	75.6	Confident	25 Å²	25	58.7 Å²	58.7	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-45.1	174.9	172.3	-121.5	0	0	0	113.7	A155 V156 H157 Q161 Y162 K163 T182 N183 I186 L217	A155-Y159 PolarHBondContact O-N 3.25Å; V156-Y159 PolarHBondContact O-N 2.98Å; H157-Y159 VanDerWaalsContact C-N 3.28Å; H157-Y159 PolarHBondContact O-N 2.91Å; Y159-Q161 VanDerWaalsContact C-N 3.3Å; Y159-Q161 PolarHBondContact O-N 2.76Å; Y159-Y162 CarbonylContact O-C 3.57Å; Y159-Y162 WeakPolarHBondContact O-CA 3.49Å; Y159-Y162 WeakPolarHBondContact O-CB 3.34Å; Y159-Y162 PolarHBondContact O-N 3.3Å; Y159-K163 PolarHBondContact O-N 2.73Å; Y159-T182 HydrophobicContact CD2-CG2 4.37Å; Y159-N183 PolarHBondContact OH-OD1 3.46Å; Y159-N183 VanDerWaalsContact OH-OD1 3.1Å; Y159-I186 VanDerWaalsContact CB-CD1 3.45Å; Y159-I186 HydrophobicContact CD1-CD1 3.42Å; Y159-I186 VanDerWaalsContact CD1-CD1 3.42Å; Y159-I186 HydrophobicContact CD1-CG2 4.37Å; Y159-I186 HydrophobicContact CD2-CD1 2.95Å; Y159-I186 HydrophobicContact CD2-CG1 4.42Å; Y159-I186 HydrophobicContact CE1-CD1 3.75Å; Y159-I186 HydrophobicContact CE1-CG2 4.13Å; Y159-I186 HydrophobicContact CE2-CD1 3.34Å; Y159-I186 HydrophobicContact CG-CD1 2.96Å; Y159-I186 HydrophobicContact CG-CG1 4.41Å; Y159-L217 HydrophobicContact CD1-CD2 4.01Å; Y159-L217 HydrophobicContact CE1-CD2 4.31Å
160	Q	78	Confident	74.6	Confident	69 Å²	69	62.8 Å²	62.8	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-45	178.5	-86	-178.2	-27.3	0	0	111.4	V156 H157 Y162 K163 K216	V156-Q160 PolarHBondContact O-N 3.33Å; H157-Q160 PolarHBondContact O-N 2.82Å; Q160-Y162 VanDerWaalsContact C-N 3.25Å; Q160-Y162 PolarHBondContact O-N 2.89Å; Q160-K163 PolarHBondContact O-N 3.07Å; Q160-K216 VanDerWaalsContact NE2-CB 3.3Å; Q160-K216 PolarHBondContact NE2-O 2.8Å
161	Q	74.7	Confident	74.2	Confident	119 Å²	119	65.5 Å²	65.5	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-32.8	174.7	-67	-172.2	-9.2	0	0	112.8	H157 Y159	H157-Q161 PolarHBondContact CE1-NE2 3.17Å; H157-Q161 WeakPolarHBondContact O-CG 3.44Å; H157-Q161 PolarHBondContact O-N 3.47Å; Y159-Q161 VanDerWaalsContact C-N 3.3Å; Y159-Q161 PolarHBondContact O-N 2.76Å
162	Y	76.6	Confident	73.6	Confident	16 Å²	16	65.1 Å²	65.1	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-80.4	-31.7	-179.2	-109.6	-91.9	0	0	0	114.4	F135 L136 F139 A158 Y159 Q160 D164 A165 F166	F135-Y162 AromaticContact CD1-CE2 3.83Å; F135-Y162 HydrophobicContact CD1-CE2 3.83Å; F135-Y162 AromaticContact CD1-CZ 3.6Å; F135-Y162 WeakPolarHBondContact CD1-OH 3.49Å; F135-Y162 AromaticContact CE1-CE2 3.38Å; F135-Y162 HydrophobicContact CE1-CE2 3.38Å; F135-Y162 AromaticContact CE1-CZ 3.67Å; F135-Y162 WeakPolarHBondContact CE1-OH 3.37Å; F135-Y162 WeakPolarHBondContact CG-OH 3.48Å; F135-Y162 HydrophobicContact CZ-CE2 4.1Å; F135-Y162 PolarHBondContact O-OH 3.03Å; F135-Y162 VanDerWaalsContact O-OH 3.12Å; L136-Y162 HydrophobicContact CB-CE1 4.27Å; L136-Y162 HydrophobicContact CD2-CD1 3.62Å; L136-Y162 HydrophobicContact CD2-CE1 3.3Å; L136-Y162 HydrophobicContact CG-CD1 4.46Å; L136-Y162 HydrophobicContact CG-CE1 3.67Å; L136-Y162 PolarHBondContact N-OH 2.91Å; F139-Y162 HydrophobicContact CB-CD1 4.4Å; F139-Y162 HydrophobicContact CB-CE1 3.79Å; F139-Y162 HydrophobicContact CB-CE2 4.48Å; F139-Y162 AromaticContact CD1-CD1 3.91Å; F139-Y162 HydrophobicContact CD1-CD1 3.91Å; F139-Y162 HydrophobicContact CD1-CD2 4.41Å; F139-Y162 HydrophobicContact CD1-CE1 4.15Å; F139-Y162 AromaticContact CD1-CG 4Å; F139-Y162 HydrophobicContact CD1-CG 4Å; F139-Y162 HydrophobicContact CD2-CD1 4.19Å; F139-Y162 AromaticContact CD2-CD2 3.53Å; F139-Y162 HydrophobicContact CD2-CD2 3.53Å; F139-Y162 AromaticContact CD2-CE1 3.95Å; F139-Y162 HydrophobicContact CD2-CE1 3.95Å; F139-Y162 AromaticContact CD2-CE2 3.25Å; F139-Y162 HydrophobicContact CD2-CE2 3.25Å; F139-Y162 AromaticContact CD2-CG 3.95Å; F139-Y162 HydrophobicContact CD2-CG 3.95Å; F139-Y162 AromaticContact CD2-CZ 3.46Å; F139-Y162 VanDerWaalsContact CD2-CZ 3.46Å; F139-Y162 HydrophobicContact CE1-CD1 4.21Å; F139-Y162 HydrophobicContact CE1-CD2 4.22Å; F139-Y162 AromaticContact CE1-CG 3.85Å; F139-Y162 HydrophobicContact CE1-CG 3.85Å; F139-Y162 HydrophobicContact CE2-CD1 4.48Å; F139-Y162 AromaticContact CE2-CD2 3.31Å; F139-Y162 HydrophobicContact CE2-CD2 3.31Å; F139-Y162 AromaticContact CE2-CE2 3.49Å; F139-Y162 HydrophobicContact CE2-CE2 3.49Å; F139-Y162 VanDerWaalsContact CE2-CE2 3.49Å; F139-Y162 AromaticContact CE2-CG 3.81Å; F139-Y162 HydrophobicContact CE2-CG 3.81Å; F139-Y162 AromaticContact CG-CD1 3.89Å; F139-Y162 HydrophobicContact CG-CD1 3.89Å; F139-Y162 HydrophobicContact CG-CD2 4.09Å; F139-Y162 AromaticContact CG-CE1 3.68Å; F139-Y162 HydrophobicContact CG-CE1 3.68Å; F139-Y162 AromaticContact CG-CE2 3.89Å; F139-Y162 HydrophobicContact CG-CE2 3.89Å; F139-Y162 HydrophobicContact CG-CG 4.04Å; F139-Y162 AromaticContact CG-CZ 3.66Å; F139-Y162 HydrophobicContact CZ-CD1 4.49Å; F139-Y162 AromaticContact CZ-CD2 3.69Å; F139-Y162 HydrophobicContact CZ-CD2 3.69Å; F139-Y162 HydrophobicContact CZ-CE2 4.29Å; F139-Y162 AromaticContact CZ-CG 3.76Å; F139-Y162 HydrophobicContact CZ-CG 3.76Å; A158-Y162 WeakPolarHBondContact O-CB 3.3Å; A158-Y162 WeakPolarHBondContact O-CD2 3.32Å; A158-Y162 PolarHBondContact O-N 3.01Å; A158-Y162 VanDerWaalsContact O-N 3.09Å; Y159-Y162 CarbonylContact O-C 3.57Å; Y159-Y162 WeakPolarHBondContact O-CA 3.49Å; Y159-Y162 WeakPolarHBondContact O-CB 3.34Å; Y159-Y162 PolarHBondContact O-N 3.3Å; Q160-Y162 VanDerWaalsContact C-N 3.25Å; Q160-Y162 PolarHBondContact O-N 2.89Å; Y162-D164 PolarHBondContact O-N 3.45Å; Y162-A165 CarbonylContact O-C 3.38Å; Y162-A165 WeakPolarHBondContact O-CA 3.33Å; Y162-A165 WeakPolarHBondContact O-CB 3.46Å; Y162-A165 PolarHBondContact O-N 3.34Å; Y162-F166 AromaticContact CD1-CD2 3.89Å; Y162-F166 HydrophobicContact CD1-CD2 3.89Å; Y162-F166 AromaticContact CD1-CE2 3.57Å; Y162-F166 HydrophobicContact CD1-CE2 3.57Å; Y162-F166 HydrophobicContact CD1-CZ 4.41Å; Y162-F166 HydrophobicContact CE1-CE2 4.26Å; Y162-F166 HydrophobicContact CG-CE2 4.5Å; Y162-F166 WeakPolarHBondContact O-CD2 3.48Å; Y162-F166 PolarHBondContact O-N 3.3Å
163	K	71.8	Confident	73	Confident	88 Å²	88	71.8 Å²	71.8	38%	0.383	36%	0.361	S	S	.	.	H	α-helix	trans	-55.1	-44.5	176.5	-175.6	-178.9	174.6	-174.3	0	109.9	Y159 Q160 A165 F166 E167	Y159-K163 PolarHBondContact O-N 2.73Å; Q160-K163 PolarHBondContact O-N 3.07Å; K163-A165 VanDerWaalsContact C-N 3.33Å; K163-A165 PolarHBondContact O-N 2.97Å; K163-F166 PolarHBondContact O-N 3.28Å; K163-E167 PolarHBondContact O-N 3.15Å
164	D	73.8	Confident	72.5	Confident	97 Å²	97	71.6 Å²	71.6	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-39.1	175	-61.6	-21.2	0	0	0	112	Y162 Q168	Y162-D164 PolarHBondContact O-N 3.45Å; D164-Q168 WeakPolarHBondContact O-CG 3.34Å; D164-Q168 PolarHBondContact O-N 2.98Å
165	A	71.3	Confident	72	Confident	13 Å²	13	70.5 Å²	70.5	11%	0.107	35%	0.351	C	S	.	.	H	α-helix	trans	-68.7	-40.9	176.9	0	0	0	0	0	112.3	Y162 K163 Q168 F169	Y162-A165 CarbonylContact O-C 3.38Å; Y162-A165 WeakPolarHBondContact O-CA 3.33Å; Y162-A165 WeakPolarHBondContact O-CB 3.46Å; Y162-A165 PolarHBondContact O-N 3.34Å; K163-A165 VanDerWaalsContact C-N 3.33Å; K163-A165 PolarHBondContact O-N 2.97Å; A165-Q168 PolarHBondContact O-N 3.23Å; A165-F169 WeakPolarHBondContact O-CD2 3.37Å
166	F	70.3	Confident	71.4	Confident	10 Å²	10	75 Å²	75	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-67.2	-36.4	176.7	-84.4	-71.4	0	0	0	112.6	L136 F139 Y162 K163 Q168 F169 K170 Y179	L136-F166 HydrophobicContact CD2-CD1 3.86Å; L136-F166 HydrophobicContact CD2-CD2 4.04Å; L136-F166 HydrophobicContact CD2-CE1 3.59Å; L136-F166 HydrophobicContact CD2-CE2 3.79Å; L136-F166 HydrophobicContact CD2-CG 4.07Å; L136-F166 HydrophobicContact CD2-CZ 3.56Å; F139-F166 HydrophobicContact CD1-CE2 4.34Å; Y162-F166 AromaticContact CD1-CD2 3.89Å; Y162-F166 HydrophobicContact CD1-CD2 3.89Å; Y162-F166 AromaticContact CD1-CE2 3.57Å; Y162-F166 HydrophobicContact CD1-CE2 3.57Å; Y162-F166 HydrophobicContact CD1-CZ 4.41Å; Y162-F166 HydrophobicContact CE1-CE2 4.26Å; Y162-F166 HydrophobicContact CG-CE2 4.5Å; Y162-F166 WeakPolarHBondContact O-CD2 3.48Å; Y162-F166 PolarHBondContact O-N 3.3Å; K163-F166 PolarHBondContact O-N 3.28Å; F166-Q168 VanDerWaalsContact C-N 3.26Å; F166-Q168 PolarHBondContact O-N 3.06Å; F166-F169 CarbonylContact O-C 3.52Å; F166-F169 PolarHBondContact O-N 3.17Å; F166-F169 VanDerWaalsContact O-N 3.12Å; F166-K170 PolarHBondContact O-N 2.76Å; F166-K170 VanDerWaalsContact O-N 3.16Å; F166-Y179 HydrophobicContact CB-CD2 3.59Å; F166-Y179 HydrophobicContact CB-CE2 3.75Å; F166-Y179 AromaticContact CD1-CD2 3.75Å; F166-Y179 HydrophobicContact CD1-CD2 3.75Å; F166-Y179 HydrophobicContact CD1-CG 4.24Å; F166-Y179 AromaticContact CD2-CD2 3.71Å; F166-Y179 HydrophobicContact CD2-CD2 3.71Å; F166-Y179 HydrophobicContact CD2-CE2 4.18Å; F166-Y179 HydrophobicContact CE1-CD2 4.29Å; F166-Y179 HydrophobicContact CE2-CD2 4.25Å; F166-Y179 AromaticContact CG-CD2 3.42Å; F166-Y179 HydrophobicContact CG-CD2 3.42Å; F166-Y179 VanDerWaalsContact CG-CD2 3.42Å; F166-Y179 HydrophobicContact CG-CE2 4.01Å; F166-Y179 HydrophobicContact CG-CG 4.33Å
167	E	68.2	Low	71.2	Confident	119 Å²	119	78.6 Å²	78.6	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-60.9	-35.7	175.3	-79	-173.9	-179.9	0	0	112.2	K163 F169	K163-E167 PolarHBondContact O-N 3.15Å; E167-F169 VanDerWaalsContact C-N 3.3Å; E167-F169 PolarHBondContact O-N 3.28Å
168	Q	70.2	Confident	70.9	Confident	150 Å²	150	74.7 Å²	74.7	70%	0.701	38%	0.379	S	S	*	.	H	α-helix	trans	-67.6	-26.7	175.9	-67.8	175.3	21.7	0	0	113.6	D164 A165 F166	D164-Q168 WeakPolarHBondContact O-CG 3.34Å; D164-Q168 PolarHBondContact O-N 2.98Å; A165-Q168 PolarHBondContact O-N 3.23Å; F166-Q168 VanDerWaalsContact C-N 3.26Å; F166-Q168 PolarHBondContact O-N 3.06Å
169	F	66.9	Low	70.7	Confident	59 Å²	59	77 Å²	77	26%	0.259	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	22.5	-175.8	-62.6	-72	0	0	0	113.9	H132 L136 A165 F166 E167 D171 V172 L175	H132-F169 AromaticContact CD2-CE2 3.8Å; L136-F169 HydrophobicContact CD1-CD2 4.31Å; A165-F169 WeakPolarHBondContact O-CD2 3.37Å; F166-F169 CarbonylContact O-C 3.52Å; F166-F169 PolarHBondContact O-N 3.17Å; F166-F169 VanDerWaalsContact O-N 3.12Å; E167-F169 VanDerWaalsContact C-N 3.3Å; E167-F169 PolarHBondContact O-N 3.28Å; F169-D171 PolarHBondContact O-N 2.96Å; F169-V172 PolarHBondContact O-N 3.39Å; F169-L175 HydrophobicContact CB-CD1 3.61Å; F169-L175 HydrophobicContact CG-CD1 4.39Å
170	K	60.2	Low	70.5	Confident	149 Å²	149	80.1 Å²	80.1	65%	0.648	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.6	-173.8	-170.3	177.1	-179.2	177.9	0	115.3	F166 V172 Q176	F166-K170 PolarHBondContact O-N 2.76Å; F166-K170 VanDerWaalsContact O-N 3.16Å; K170-V172 VanDerWaalsContact C-N 3.33Å; K170-V172 PolarHBondContact O-N 3.43Å; K170-Q176 PolarHBondContact O-NE2 3.08Å
171	D	66.1	Low	70.6	Confident	156 Å²	156	81 Å²	81	83%	0.834	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-13.4	-174.5	-64.9	-28.1	0	0	0	114.1	F169 Q173	F169-D171 PolarHBondContact O-N 2.96Å; D171-Q173 PolarHBondContact O-N 3.4Å
172	V	69.3	Low	70.7	Confident	68 Å²	68	75.3 Å²	75.3	41%	0.412	38%	0.383	S	S	.	.			trans	-83.9	109.5	-178.1	-176.9	0	0	0	0	110.2	F169 K170 A174 L175 Q176	F169-V172 PolarHBondContact O-N 3.39Å; K170-V172 VanDerWaalsContact C-N 3.33Å; K170-V172 PolarHBondContact O-N 3.43Å; V172-A174 VanDerWaalsContact C-N 3.27Å; V172-A174 PolarHBondContact O-N 2.9Å; V172-A174 VanDerWaalsContact O-N 3.15Å; V172-L175 HydrophobicContact CB-CB 4.3Å; V172-L175 HydrophobicContact CB-CD1 3.96Å; V172-L175 HydrophobicContact CB-CG 4.14Å; V172-L175 HydrophobicContact CG1-CD1 4.28Å; V172-L175 HydrophobicContact CG1-CG 4.1Å; V172-L175 HydrophobicContact CG2-CD1 4.38Å; V172-L175 PolarHBondContact O-N 3.17Å; V172-Q176 PolarHBondContact O-N 3.22Å
173	Q	66.8	Low	70.8	Confident	163 Å²	163	76.7 Å²	76.7	76%	0.762	39%	0.392	S	S	*	.	H	α-helix	trans	-55.2	-35.1	-175.2	-162.5	175.3	19.1	0	0	114.2	D171 Q176	D171-Q173 PolarHBondContact O-N 3.4Å; Q173-Q176 PolarHBondContact O-N 2.94Å
174	A	69	Low	71.2	Confident	53 Å²	53	75.9 Å²	75.9	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-70.4	-27.8	176.8	0	0	0	0	0	113.5	V172 S177 L178	V172-A174 VanDerWaalsContact C-N 3.27Å; V172-A174 PolarHBondContact O-N 2.9Å; V172-A174 VanDerWaalsContact O-N 3.15Å; A174-S177 PolarHBondContact O-OG 2.65Å; A174-L178 WeakPolarHBondContact O-CD1 2.82Å
175	L	66.9	Low	71.5	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.021	37%	0.373	C	S	.	.	H	α-helix	trans	-80	-24.1	175.2	-67.4	177.1	0	0	0	111.6	L133 L136 F137 F169 V172 L178 Y179	L133-L175 HydrophobicContact CD2-CD1 3.8Å; L133-L175 HydrophobicContact CD2-CD2 4.22Å; L133-L175 HydrophobicContact CD2-CG 4.41Å; L136-L175 HydrophobicContact CB-CD2 4.23Å; F137-L175 HydrophobicContact CE1-CD2 4.45Å; F137-L175 HydrophobicContact CZ-CD2 4.34Å; F169-L175 HydrophobicContact CB-CD1 3.61Å; F169-L175 HydrophobicContact CG-CD1 4.39Å; V172-L175 HydrophobicContact CB-CB 4.3Å; V172-L175 HydrophobicContact CB-CD1 3.96Å; V172-L175 HydrophobicContact CB-CG 4.14Å; V172-L175 HydrophobicContact CG1-CD1 4.28Å; V172-L175 HydrophobicContact CG1-CG 4.1Å; V172-L175 HydrophobicContact CG2-CD1 4.38Å; V172-L175 PolarHBondContact O-N 3.17Å; L175-L178 HydrophobicContact CD2-CD1 4.35Å; L175-L178 PolarHBondContact O-N 3.12Å; L175-Y179 WeakPolarHBondContact O-CB 3.17Å; L175-Y179 PolarHBondContact O-N 3.08Å
176	Q	67.3	Low	71.8	Confident	94 Å²	94	71.7 Å²	71.7	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-40.9	175.5	-68.4	-180	-7.3	0	0	111.8	K170 V172 Q173 Y179 V180	K170-Q176 PolarHBondContact O-NE2 3.08Å; V172-Q176 PolarHBondContact O-N 3.22Å; Q173-Q176 PolarHBondContact O-N 2.94Å; Q176-Y179 PolarHBondContact O-N 2.77Å; Q176-V180 VanDerWaalsContact O-CG2 3.27Å; Q176-V180 WeakPolarHBondContact O-CG2 3.33Å; Q176-V180 PolarHBondContact O-N 3.38Å
177	S	73.9	Confident	72.2	Confident	77 Å²	77	73.3 Å²	73.3	54%	0.538	39%	0.385	S	S	.	.	H	α-helix	trans	-65.1	-40.4	176.1	53.3	0	0	0	0	112.3	A174 V180 E181	A174-S177 PolarHBondContact O-OG 2.65Å; S177-V180 PolarHBondContact O-N 3.42Å; S177-E181 WeakPolarHBondContact O-CB 3.48Å; S177-E181 PolarHBondContact O-N 2.62Å
178	L	71.6	Confident	72.9	Confident	21 Å²	21	72.7 Å²	72.7	11%	0.11	39%	0.386	C	S	.	.	H	α-helix	trans	-71.2	-33.3	176.5	-75	151.1	0	0	0	112.6	F137 P140 A174 L175 E181 T182	F137-L178 HydrophobicContact CD1-CD1 3.16Å; F137-L178 HydrophobicContact CD1-CG 4.47Å; F137-L178 HydrophobicContact CE1-CD1 3.26Å; F137-L178 HydrophobicContact CG-CD1 4.3Å; F137-L178 HydrophobicContact CZ-CD1 4.45Å; P140-L178 HydrophobicContact CG-CD2 3.9Å; A174-L178 WeakPolarHBondContact O-CD1 2.82Å; L175-L178 HydrophobicContact CD2-CD1 4.35Å; L175-L178 PolarHBondContact O-N 3.12Å; L178-E181 PolarHBondContact O-N 3.49Å; L178-T182 WeakPolarHBondContact O-CB 3.41Å; L178-T182 PolarHBondContact O-N 3.44Å; L178-T182 PolarHBondContact O-OG1 3.41Å
179	Y	72.2	Confident	73.4	Confident	67 Å²	67	65.8 Å²	65.8	26%	0.263	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-43.1	173.8	-177.3	-111.6	0	0	0	110.5	F166 L175 Q176 E181 T182 N183	F166-Y179 HydrophobicContact CB-CD2 3.59Å; F166-Y179 HydrophobicContact CB-CE2 3.75Å; F166-Y179 AromaticContact CD1-CD2 3.75Å; F166-Y179 HydrophobicContact CD1-CD2 3.75Å; F166-Y179 HydrophobicContact CD1-CG 4.24Å; F166-Y179 AromaticContact CD2-CD2 3.71Å; F166-Y179 HydrophobicContact CD2-CD2 3.71Å; F166-Y179 HydrophobicContact CD2-CE2 4.18Å; F166-Y179 HydrophobicContact CE1-CD2 4.29Å; F166-Y179 HydrophobicContact CE2-CD2 4.25Å; F166-Y179 AromaticContact CG-CD2 3.42Å; F166-Y179 HydrophobicContact CG-CD2 3.42Å; F166-Y179 VanDerWaalsContact CG-CD2 3.42Å; F166-Y179 HydrophobicContact CG-CE2 4.01Å; F166-Y179 HydrophobicContact CG-CG 4.33Å; L175-Y179 WeakPolarHBondContact O-CB 3.17Å; L175-Y179 PolarHBondContact O-N 3.08Å; Q176-Y179 PolarHBondContact O-N 2.77Å; Y179-E181 VanDerWaalsContact C-N 3.34Å; Y179-T182 PolarHBondContact O-N 2.92Å; Y179-N183 VanDerWaalsContact CD1-ND2 3.26Å; Y179-N183 WeakPolarHBondContact CD1-ND2 3.28Å; Y179-N183 WeakPolarHBondContact CE1-ND2 3.47Å; Y179-N183 WeakPolarHBondContact O-CB 3.45Å; Y179-N183 PolarHBondContact O-N 3.01Å; Y179-N183 PolarHBondContact O-ND2 3.47Å; Y179-N183 VanDerWaalsContact O-ND2 3.11Å
180	V	75.8	Confident	74	Confident	90 Å²	90	65.3 Å²	65.3	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-59.8	-46	171.6	172.3	0	0	0	0	110.3	Q176 S177 T182 N183 T184	Q176-V180 VanDerWaalsContact O-CG2 3.27Å; Q176-V180 WeakPolarHBondContact O-CG2 3.33Å; Q176-V180 PolarHBondContact O-N 3.38Å; S177-V180 PolarHBondContact O-N 3.42Å; V180-T182 PolarHBondContact O-N 3.42Å; V180-N183 PolarHBondContact O-N 2.94Å; V180-T184 WeakPolarHBondContact O-CG2 3.36Å; V180-T184 PolarHBondContact O-N 3.37Å; V180-T184 PolarHBondContact O-OG1 2.91Å
181	E	79.1	Confident	74.8	Confident	88 Å²	88	62.3 Å²	62.3	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176.9	-172.2	178.2	-175.3	0	0	112.4	S177 L178 Y179 N183 T184 I185	S177-E181 WeakPolarHBondContact O-CB 3.48Å; S177-E181 PolarHBondContact O-N 2.62Å; L178-E181 PolarHBondContact O-N 3.49Å; Y179-E181 VanDerWaalsContact C-N 3.34Å; E181-N183 PolarHBondContact O-N 2.97Å; E181-T184 VanDerWaalsContact C-OG1 3.29Å; E181-T184 VanDerWaalsContact CA-OG1 3.28Å; E181-T184 WeakPolarHBondContact CA-OG1 3.44Å; E181-T184 PolarHBondContact O-N 3Å; E181-T184 VanDerWaalsContact O-N 3.17Å; E181-T184 PolarHBondContact O-OG1 3.44Å; E181-I185 HydrophobicContact CG-CD1 4.27Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 2.96Å
182	T	77.7	Confident	75.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-45	176.2	-56.5	0	0	0	0	110.7	F139 L143 Y159 L178 Y179 V180 T184 I185 I186	F139-T182 HydrophobicContact CD1-CG2 3.73Å; F139-T182 HydrophobicContact CE1-CG2 3.63Å; L143-T182 HydrophobicContact CD2-CG2 4.13Å; Y159-T182 HydrophobicContact CD2-CG2 4.37Å; L178-T182 WeakPolarHBondContact O-CB 3.41Å; L178-T182 PolarHBondContact O-N 3.44Å; L178-T182 PolarHBondContact O-OG1 3.41Å; Y179-T182 PolarHBondContact O-N 2.92Å; V180-T182 PolarHBondContact O-N 3.42Å; T182-T184 VanDerWaalsContact C-N 3.31Å; T182-T184 PolarHBondContact O-N 3.45Å; T182-I185 PolarHBondContact O-N 2.78Å; T182-I186 HydrophobicContact CG2-CD1 4.3Å; T182-I186 WeakPolarHBondContact O-CG1 3.48Å; T182-I186 PolarHBondContact O-N 2.9Å
183	N	78.3	Confident	75.9	Confident	45 Å²	45	55 Å²	55	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-33.8	176.2	-70.7	-28.6	0	0	0	112.2	Y159 Y179 V180 E181 I186 A187	Y159-N183 PolarHBondContact OH-OD1 3.46Å; Y159-N183 VanDerWaalsContact OH-OD1 3.1Å; Y179-N183 VanDerWaalsContact CD1-ND2 3.26Å; Y179-N183 WeakPolarHBondContact CD1-ND2 3.28Å; Y179-N183 WeakPolarHBondContact CE1-ND2 3.47Å; Y179-N183 WeakPolarHBondContact O-CB 3.45Å; Y179-N183 PolarHBondContact O-N 3.01Å; Y179-N183 PolarHBondContact O-ND2 3.47Å; Y179-N183 VanDerWaalsContact O-ND2 3.11Å; V180-N183 PolarHBondContact O-N 2.94Å; E181-N183 PolarHBondContact O-N 2.97Å; N183-I186 PolarHBondContact O-N 3.44Å; N183-A187 VanDerWaalsContact O-CB 3.28Å; N183-A187 WeakPolarHBondContact O-CB 3.2Å; N183-A187 PolarHBondContact O-N 2.78Å
184	T	79.4	Confident	76.2	Confident	70 Å²	70	48.8 Å²	48.8	43%	0.429	27%	0.27	S	S	.	.	H	α-helix	trans	-69	-38.9	173.1	52	0	0	0	0	112	V180 E181 T182 I186 A187 N188	V180-T184 WeakPolarHBondContact O-CG2 3.36Å; V180-T184 PolarHBondContact O-N 3.37Å; V180-T184 PolarHBondContact O-OG1 2.91Å; E181-T184 VanDerWaalsContact C-OG1 3.29Å; E181-T184 VanDerWaalsContact CA-OG1 3.28Å; E181-T184 WeakPolarHBondContact CA-OG1 3.44Å; E181-T184 PolarHBondContact O-N 3Å; E181-T184 VanDerWaalsContact O-N 3.17Å; E181-T184 PolarHBondContact O-OG1 3.44Å; T182-T184 VanDerWaalsContact C-N 3.31Å; T182-T184 PolarHBondContact O-N 3.45Å; T184-I186 PolarHBondContact O-N 2.96Å; T184-A187 PolarHBondContact O-N 2.61Å; T184-N188 WeakPolarHBondContact O-CB 3.47Å; T184-N188 PolarHBondContact O-N 3.24Å; T184-N188 PolarHBondContact O-ND2 3.32Å; T184-N188 PolarHBondContact O-OD1 3.05Å
185	I	80.1	Confident	76.4	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-37.9	174.6	-66.7	161.4	0	0	0	110.2	P140 L143 Q144 I147 E181 T182 N188 L189	P140-I185 HydrophobicContact CB-CD1 3.74Å; L143-I185 HydrophobicContact CD2-CB 4.04Å; L143-I185 HydrophobicContact CD2-CG2 3.54Å; L143-I185 HydrophobicContact CG-CG2 3.97Å; Q144-I185 HydrophobicContact CG-CD1 4.05Å; Q144-I185 HydrophobicContact CG-CG1 4.4Å; Q144-I185 HydrophobicContact CG-CG2 4.28Å; I147-I185 HydrophobicContact CD1-CG2 3.45Å; I147-I185 VanDerWaalsContact CD1-CG2 3.45Å; E181-I185 HydrophobicContact CG-CD1 4.27Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 2.96Å; T182-I185 PolarHBondContact O-N 2.78Å; I185-N188 PolarHBondContact O-N 3.17Å; I185-L189 PolarHBondContact O-N 3.18Å
186	I	79.2	Confident	76.7	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-78.6	-33.9	179.2	-68	-176.8	0	0	0	112.8	L143 Y159 T182 N183 T184 N188 L189 K190 L217	L143-I186 HydrophobicContact CD2-CD1 3.9Å; L143-I186 HydrophobicContact CD2-CG1 3.58Å; Y159-I186 VanDerWaalsContact CB-CD1 3.45Å; Y159-I186 HydrophobicContact CD1-CD1 3.42Å; Y159-I186 VanDerWaalsContact CD1-CD1 3.42Å; Y159-I186 HydrophobicContact CD1-CG2 4.37Å; Y159-I186 HydrophobicContact CD2-CD1 2.95Å; Y159-I186 HydrophobicContact CD2-CG1 4.42Å; Y159-I186 HydrophobicContact CE1-CD1 3.75Å; Y159-I186 HydrophobicContact CE1-CG2 4.13Å; Y159-I186 HydrophobicContact CE2-CD1 3.34Å; Y159-I186 HydrophobicContact CG-CD1 2.96Å; Y159-I186 HydrophobicContact CG-CG1 4.41Å; T182-I186 HydrophobicContact CG2-CD1 4.3Å; T182-I186 WeakPolarHBondContact O-CG1 3.48Å; T182-I186 PolarHBondContact O-N 2.9Å; N183-I186 PolarHBondContact O-N 3.44Å; T184-I186 PolarHBondContact O-N 2.96Å; I186-N188 VanDerWaalsContact C-N 3.28Å; I186-L189 PolarHBondContact O-N 3.37Å; I186-K190 WeakPolarHBondContact O-CB 3.4Å; I186-K190 PolarHBondContact O-N 2.97Å; I186-L217 HydrophobicContact CG2-CD2 3.56Å
187	A	78.7	Confident	76.6	Confident	44 Å²	44	49.4 Å²	49.4	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-45.1	168.4	0	0	0	0	0	109.7	N183 T184 L189 K190 D191	N183-A187 VanDerWaalsContact O-CB 3.28Å; N183-A187 WeakPolarHBondContact O-CB 3.2Å; N183-A187 PolarHBondContact O-N 2.78Å; T184-A187 PolarHBondContact O-N 2.61Å; A187-L189 PolarHBondContact O-N 3.28Å; A187-K190 WeakPolarHBondContact O-CB 3.12Å; A187-K190 PolarHBondContact O-N 3.24Å; A187-D191 WeakPolarHBondContact O-CB 3.36Å; A187-D191 VanDerWaalsContact O-CG 3.24Å; A187-D191 PolarHBondContact O-N 3.07Å
188	N	82.5	Confident	76.3	Confident	106 Å²	106	51.4 Å²	51.4	57%	0.567	27%	0.265	S	S	*	.	H	α-helix	trans	-63.7	-40.8	174.6	-65	-16	0	0	0	112.4	T184 I185 I186 K190 D191 H192	T184-N188 WeakPolarHBondContact O-CB 3.47Å; T184-N188 PolarHBondContact O-N 3.24Å; T184-N188 PolarHBondContact O-ND2 3.32Å; T184-N188 PolarHBondContact O-OD1 3.05Å; I185-N188 PolarHBondContact O-N 3.17Å; I186-N188 VanDerWaalsContact C-N 3.28Å; N188-K190 VanDerWaalsContact C-N 3.33Å; N188-D191 PolarHBondContact O-N 2.94Å; N188-H192 VanDerWaalsContact O-CB 3.25Å; N188-H192 WeakPolarHBondContact O-CB 3.49Å; N188-H192 PolarHBondContact O-N 2.78Å
189	L	79.8	Confident	76	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-41	174.8	176.3	60.4	0	0	0	111.2	I147 Y152 A155 V156 I185 I186 A187 H192 L193	I147-L189 HydrophobicContact CD1-CB 4.05Å; I147-L189 HydrophobicContact CD1-CD1 4.44Å; I147-L189 HydrophobicContact CD1-CD2 4.25Å; I147-L189 HydrophobicContact CD1-CG 4.47Å; I147-L189 HydrophobicContact CG1-CD1 4.1Å; I147-L189 HydrophobicContact CG1-CD2 4.19Å; I147-L189 HydrophobicContact CG2-CD1 4.47Å; Y152-L189 HydrophobicContact CD1-CD1 3.56Å; Y152-L189 HydrophobicContact CE1-CD1 3.88Å; Y152-L189 HydrophobicContact CG-CD1 4.37Å; A155-L189 HydrophobicContact CB-CD2 4.16Å; V156-L189 HydrophobicContact CG2-CD2 4.37Å; I185-L189 PolarHBondContact O-N 3.18Å; I186-L189 PolarHBondContact O-N 3.37Å; A187-L189 PolarHBondContact O-N 3.28Å; L189-H192 PolarHBondContact O-N 3.36Å; L189-L193 HydrophobicContact CD1-CD1 4.35Å; L189-L193 HydrophobicContact CD1-CG 4.2Å; L189-L193 HydrophobicContact CG-CD1 4.14Å; L189-L193 HydrophobicContact CG-CG 4.42Å; L189-L193 WeakPolarHBondContact O-CB 3.37Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 2.97Å
190	K	79.3	Confident	75.3	Confident	49 Å²	49	56.9 Å²	56.9	21%	0.213	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-46.3	177.3	176	179	163	170.9	0	110.8	I186 A187 N188 H192 L193 L194 L214 L217 E219	I186-K190 WeakPolarHBondContact O-CB 3.4Å; I186-K190 PolarHBondContact O-N 2.97Å; A187-K190 WeakPolarHBondContact O-CB 3.12Å; A187-K190 PolarHBondContact O-N 3.24Å; N188-K190 VanDerWaalsContact C-N 3.33Å; K190-H192 VanDerWaalsContact C-N 3.27Å; K190-H192 PolarHBondContact O-N 2.93Å; K190-L193 PolarHBondContact O-N 3.39Å; K190-L194 HydrophobicContact CG-CD1 4.24Å; K190-L194 WeakPolarHBondContact O-CB 3.34Å; K190-L194 VanDerWaalsContact O-CG 3.28Å; K190-L194 WeakPolarHBondContact O-CG 3.37Å; K190-L194 PolarHBondContact O-N 3.38Å; K190-L214 HydrophobicContact CG-CD2 4.21Å; K190-L217 HydrophobicContact CB-CD1 4.27Å; K190-E219 HydrophobicContact CD-CG 4.49Å; K190-E219 VanDerWaalsContact CE-CG 3.47Å; K190-E219 WeakPolarHBondContact CE-OE1 3.28Å; K190-E219 VanDerWaalsContact NZ-CD 3.31Å; K190-E219 IonicContact NZ-OE1 3.56Å; K190-E219 PolarHBondContact NZ-OE1 3.5Å
191	D	78.7	Confident	74.5	Confident	87 Å²	87	58.1 Å²	58.1	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-38.2	174.8	-69.1	-17.3	0	0	0	110.6	A187 N188 L194 E195	A187-D191 WeakPolarHBondContact O-CB 3.36Å; A187-D191 VanDerWaalsContact O-CG 3.24Å; A187-D191 PolarHBondContact O-N 3.07Å; N188-D191 PolarHBondContact O-N 2.94Å; D191-L194 PolarHBondContact O-N 3.32Å; D191-E195 WeakPolarHBondContact O-CB 3.38Å; D191-E195 WeakPolarHBondContact O-CG 3.42Å; D191-E195 PolarHBondContact O-N 2.97Å
192	H	80.9	Confident	73.6	Confident	69 Å²	69	54.7 Å²	54.7	32%	0.319	29%	0.287	S	S	.	.	H	α-helix	trans	-67.1	-44.9	174.8	-168.9	55.6	0	0	0	112.6	Y152 N188 L189 K190 L194 E195 E196	Y152-H192 PolarHBondContact OH-CD2 3.36Å; Y152-H192 PolarHBondContact OH-NE2 3.49Å; N188-H192 VanDerWaalsContact O-CB 3.25Å; N188-H192 WeakPolarHBondContact O-CB 3.49Å; N188-H192 PolarHBondContact O-N 2.78Å; L189-H192 PolarHBondContact O-N 3.36Å; K190-H192 VanDerWaalsContact C-N 3.27Å; K190-H192 PolarHBondContact O-N 2.93Å; H192-L194 VanDerWaalsContact C-N 3.28Å; H192-L194 PolarHBondContact O-N 2.79Å; H192-E195 PolarHBondContact O-N 3.27Å; H192-E196 IonicContact NE2-OE2 3.21Å; H192-E196 WeakPolarHBondContact O-CG 3.28Å; H192-E196 PolarHBondContact O-N 2.87Å
193	L	76.9	Confident	72.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-37.3	175	-74.2	172.4	0	0	0	111.1	Y152 L189 K190 F197 H210 L213 L214 L217	Y152-L193 HydrophobicContact CD2-CD2 3.66Å; Y152-L193 HydrophobicContact CE2-CD2 4.03Å; Y152-L193 HydrophobicContact CG-CD2 3.97Å; L189-L193 HydrophobicContact CD1-CD1 4.35Å; L189-L193 HydrophobicContact CD1-CG 4.2Å; L189-L193 HydrophobicContact CG-CD1 4.14Å; L189-L193 HydrophobicContact CG-CG 4.42Å; L189-L193 WeakPolarHBondContact O-CB 3.37Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 2.97Å; K190-L193 PolarHBondContact O-N 3.39Å; L193-F197 WeakPolarHBondContact O-CB 3.31Å; L193-F197 PolarHBondContact O-N 2.9Å; L193-H210 VanDerWaalsContact CD2-CD2 3.48Å; L193-H210 WeakPolarHBondContact CD2-CD2 3.25Å; L193-L213 HydrophobicContact CD1-CB 4.48Å; L193-L214 HydrophobicContact CB-CD2 3.74Å; L193-L214 HydrophobicContact CB-CG 4.21Å; L193-L214 HydrophobicContact CD1-CD2 4.27Å; L193-L217 HydrophobicContact CD1-CD1 3.83Å
194	L	72.4	Confident	72.1	Confident	33 Å²	33	57.3 Å²	57.3	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-46.1	171.7	-72	171	0	0	0	110.6	K190 D191 H192 E196 F197 H198 L214 L224	K190-L194 HydrophobicContact CG-CD1 4.24Å; K190-L194 WeakPolarHBondContact O-CB 3.34Å; K190-L194 VanDerWaalsContact O-CG 3.28Å; K190-L194 WeakPolarHBondContact O-CG 3.37Å; K190-L194 PolarHBondContact O-N 3.38Å; D191-L194 PolarHBondContact O-N 3.32Å; H192-L194 VanDerWaalsContact C-N 3.28Å; H192-L194 PolarHBondContact O-N 2.79Å; L194-E196 PolarHBondContact O-N 3.45Å; L194-F197 WeakPolarHBondContact O-CB 3.48Å; L194-F197 PolarHBondContact O-N 3.47Å; L194-H198 PolarHBondContact O-N 3.33Å; L194-H198 PolarHBondContact O-ND1 3.3Å; L194-L214 HydrophobicContact CD2-CD1 4.05Å; L194-L214 HydrophobicContact CD2-CD2 4.21Å; L194-L214 HydrophobicContact CG-CD2 4.1Å; L194-L224 HydrophobicContact CD2-CD2 3.94Å
195	E	74.6	Confident	71.6	Confident	131 Å²	131	62.1 Å²	62.1	61%	0.612	33%	0.333	S	S	*	.	H	α-helix	trans	-60	-44.5	175.4	-83.4	-174.2	159.3	0	0	112.3	D191 H192 F197 H198 S199	D191-E195 WeakPolarHBondContact O-CB 3.38Å; D191-E195 WeakPolarHBondContact O-CG 3.42Å; D191-E195 PolarHBondContact O-N 2.97Å; H192-E195 PolarHBondContact O-N 3.27Å; E195-F197 VanDerWaalsContact C-N 3.33Å; E195-F197 PolarHBondContact O-N 2.8Å; E195-H198 PolarHBondContact O-N 2.84Å; E195-S199 WeakPolarHBondContact O-CB 3.27Å; E195-S199 PolarHBondContact O-N 3.43Å; E195-S199 PolarHBondContact O-OG 3.22Å
196	E	71.9	Confident	71	Confident	25 Å²	25	66 Å²	66	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-40.6	176.8	-68.8	-147	110.9	0	0	111.2	Y152 H192 L194 H198 S199 K200 H210	Y152-E196 WeakPolarHBondContact CE2-OE2 3.43Å; Y152-E196 PolarHBondContact OH-OE2 3.48Å; H192-E196 IonicContact NE2-OE2 3.21Å; H192-E196 WeakPolarHBondContact O-CG 3.28Å; H192-E196 PolarHBondContact O-N 2.87Å; L194-E196 PolarHBondContact O-N 3.45Å; E196-H198 PolarHBondContact O-N 3.03Å; E196-S199 PolarHBondContact O-N 3.19Å; E196-K200 PolarHBondContact O-N 3.47Å; E196-K200 VanDerWaalsContact O-N 3.12Å; E196-K200 IonicContact OE1-NZ 2.89Å; E196-K200 PolarHBondContact OE1-NZ 3.23Å; E196-H210 IonicContact OE2-NE2 2.62Å
197	F	66.6	Low	70.5	Confident	9 Å²	9	65.5 Å²	65.5	4%	0.039	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-35.7	175.7	175.8	-103.8	0	0	0	113.4	L193 L194 E195 L207 V211 L224 D227	L193-F197 WeakPolarHBondContact O-CB 3.31Å; L193-F197 PolarHBondContact O-N 2.9Å; L194-F197 WeakPolarHBondContact O-CB 3.48Å; L194-F197 PolarHBondContact O-N 3.47Å; E195-F197 VanDerWaalsContact C-N 3.33Å; E195-F197 PolarHBondContact O-N 2.8Å; F197-L207 HydrophobicContact CD2-CD1 3.6Å; F197-L207 HydrophobicContact CE2-CD1 3.55Å; F197-V211 HydrophobicContact CD2-CG2 4.35Å; F197-V211 HydrophobicContact CE2-CG2 3.69Å; F197-V211 HydrophobicContact CZ-CG2 4.35Å; F197-L224 HydrophobicContact CE1-CD2 4.39Å; F197-D227 HydrophobicContact CD1-CB 4.39Å; F197-D227 HydrophobicContact CE1-CB 3.32Å; F197-D227 HydrophobicContact CZ-CB 3.65Å
198	H	65.9	Low	70.1	Confident	119 Å²	119	65.8 Å²	65.8	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-85.2	-28	178.3	-70.7	85.7	0	0	0	113.5	L194 E195 E196 D227	L194-H198 PolarHBondContact O-N 3.33Å; L194-H198 PolarHBondContact O-ND1 3.3Å; E195-H198 PolarHBondContact O-N 2.84Å; E196-H198 PolarHBondContact O-N 3.03Å; H198-D227 IonicContact NE2-OD2 3.94Å; H198-D227 PolarHBondContact NE2-OD2 2.94Å
199	S	65.8	Low	69.6	Low	90 Å²	90	63.1 Å²	63.1	63%	0.629	33%	0.333	S	S	*	.	H	α-helix	trans	-97.7	-31.4	-169.3	63.9	0	0	0	0	114.8	E195 E196	E195-S199 WeakPolarHBondContact O-CB 3.27Å; E195-S199 PolarHBondContact O-N 3.43Å; E195-S199 PolarHBondContact O-OG 3.22Å; E196-S199 PolarHBondContact O-N 3.19Å
200	K	58.8	Low	69.2	Low	112 Å²	112	63.7 Å²	63.7	49%	0.487	34%	0.336	S	S	.	.	S	Bend	trans	-111.5	134.8	-177.4	-70.3	176.3	-173	162.1	0	110.3	E196 L202	E196-K200 PolarHBondContact O-N 3.47Å; E196-K200 VanDerWaalsContact O-N 3.12Å; E196-K200 IonicContact OE1-NZ 2.89Å; E196-K200 PolarHBondContact OE1-NZ 3.23Å; K200-L202 HydrophobicContact CB-CD2 4.45Å; K200-L202 HydrophobicContact CB-CG 4.33Å; K200-L202 PolarHBondContact O-N 2.83Å
201	I	58.3	Low	68.9	Low	117 Å²	117	61.3 Å²	61.3	60%	0.6	33%	0.326	S	S	*	.			trans	-69.2	90.6	161.8	-57.4	167.8	0	0	0	105.7
202	L	60.5	Low	68.8	Low	15 Å²	15	61.1 Å²	61.1	8%	0.079	32%	0.322	C	S	.	.			trans	-71.8	146	177	-68.8	159.5	0	0	0	109	K200 E206 L207	K200-L202 HydrophobicContact CB-CD2 4.45Å; K200-L202 HydrophobicContact CB-CG 4.33Å; K200-L202 PolarHBondContact O-N 2.83Å; L202-E206 HydrophobicContact CB-CB 4.19Å; L202-E206 HydrophobicContact CD2-CB 4.31Å; L202-L207 HydrophobicContact CB-CB 4.28Å; L202-L207 HydrophobicContact CB-CD1 4.48Å; L202-L207 HydrophobicContact CD1-CD1 4.39Å
203	S	62.3	Low	68.5	Low	58 Å²	58	58.4 Å²	58.4	41%	0.406	31%	0.31	S	S	.	.			trans	-61.5	149.9	173.3	65.4	0	0	0	0	110.2	Q205 E206 L207	S203-Q205 PolarHBondContact O-N 3.44Å; S203-E206 WeakPolarHBondContact CB-OE2 3.41Å; S203-E206 PolarHBondContact N-OE2 3.17Å; S203-E206 VanDerWaalsContact N-OE2 3.13Å; S203-E206 WeakPolarHBondContact O-CA 3.12Å; S203-E206 PolarHBondContact O-N 3.01Å; S203-E206 VanDerWaalsContact OG-CG 3.23Å; S203-E206 WeakPolarHBondContact OG-CG 3.44Å; S203-E206 PolarHBondContact OG-OE2 3.15Å; S203-L207 PolarHBondContact O-N 3.47Å
204	G	62.4	Low	68.5	Low	43 Å²	43	58.4 Å²	58.4	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-53.3	-30.8	-172.2	0	0	0	0	0	115.1	L208	G204-L208 PolarHBondContact O-N 3.09Å
205	Q	67.1	Low	68.7	Low	170 Å²	170	59.3 Å²	59.3	79%	0.794	31%	0.314	S	S	*	.	H	α-helix	trans	-76.6	-39.1	174.8	-69	-171.4	-3.8	0	0	113.3	S203 L208 S209	S203-Q205 PolarHBondContact O-N 3.44Å; Q205-L208 PolarHBondContact O-N 3.38Å; Q205-S209 PolarHBondContact O-N 2.87Å
206	E	69.4	Low	68.6	Low	94 Å²	94	57.6 Å²	57.6	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-41.2	174.3	-69.6	166.3	157.5	0	0	110.4	L202 S203 L208 S209 H210	L202-E206 HydrophobicContact CB-CB 4.19Å; L202-E206 HydrophobicContact CD2-CB 4.31Å; S203-E206 WeakPolarHBondContact CB-OE2 3.41Å; S203-E206 PolarHBondContact N-OE2 3.17Å; S203-E206 VanDerWaalsContact N-OE2 3.13Å; S203-E206 WeakPolarHBondContact O-CA 3.12Å; S203-E206 PolarHBondContact O-N 3.01Å; S203-E206 VanDerWaalsContact OG-CG 3.23Å; S203-E206 WeakPolarHBondContact OG-CG 3.44Å; S203-E206 PolarHBondContact OG-OE2 3.15Å; E206-L208 VanDerWaalsContact C-N 3.32Å; E206-L208 PolarHBondContact O-N 3.06Å; E206-S209 PolarHBondContact O-N 2.97Å; E206-S209 PolarHBondContact O-OG 3.22Å; E206-H210 PolarHBondContact O-N 3.12Å; E206-H210 PolarHBondContact O-ND1 3.23Å
207	L	68.5	Low	68.6	Low	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-45.5	176	-172.7	72	0	0	0	111.3	F197 L202 S203 H210 V211 Y228 S232	F197-L207 HydrophobicContact CD2-CD1 3.6Å; F197-L207 HydrophobicContact CE2-CD1 3.55Å; L202-L207 HydrophobicContact CB-CB 4.28Å; L202-L207 HydrophobicContact CB-CD1 4.48Å; L202-L207 HydrophobicContact CD1-CD1 4.39Å; S203-L207 PolarHBondContact O-N 3.47Å; L207-H210 PolarHBondContact O-N 2.83Å; L207-V211 WeakPolarHBondContact O-CG2 3.5Å; L207-V211 PolarHBondContact O-N 3.49Å; L207-Y228 HydrophobicContact CD1-CD2 4.49Å; L207-Y228 HydrophobicContact CD2-CD2 3.57Å; L207-Y228 HydrophobicContact CD2-CE2 3.6Å; L207-Y228 HydrophobicContact CG-CD2 3.68Å; L207-Y228 HydrophobicContact CG-CE2 3.79Å; L207-S232 VanDerWaalsContact CD2-OG 3.3Å; L207-S232 WeakPolarHBondContact CD2-OG 3.15Å
208	L	70.1	Confident	68.7	Low	50 Å²	50	59.8 Å²	59.8	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-48.4	176.3	-166.9	89.7	0	0	0	111.4	G204 Q205 E206 H210 V211 E212 I280	G204-L208 PolarHBondContact O-N 3.09Å; Q205-L208 PolarHBondContact O-N 3.38Å; E206-L208 VanDerWaalsContact C-N 3.32Å; E206-L208 PolarHBondContact O-N 3.06Å; L208-H210 VanDerWaalsContact C-N 3.33Å; L208-H210 PolarHBondContact O-N 3.24Å; L208-V211 PolarHBondContact O-N 3.4Å; L208-E212 WeakPolarHBondContact O-CG 3.43Å; L208-E212 PolarHBondContact O-N 3.44Å; L208-I280 HydrophobicContact CD1-CD1 3.62Å; L208-I280 HydrophobicContact CG-CD1 4.29Å
209	S	72.1	Confident	68.9	Low	49 Å²	49	56.2 Å²	56.2	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-39.5	-178.9	69.8	0	0	0	0	111.7	Q205 E206 E212 L213	Q205-S209 PolarHBondContact O-N 2.87Å; E206-S209 PolarHBondContact O-N 2.97Å; E206-S209 PolarHBondContact O-OG 3.22Å; S209-E212 PolarHBondContact O-N 3.44Å; S209-L213 WeakPolarHBondContact O-CB 3.28Å; S209-L213 WeakPolarHBondContact O-CG 3.38Å; S209-L213 PolarHBondContact O-N 3.14Å
210	H	70.6	Confident	68.9	Low	16 Å²	16	58 Å²	58	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176.9	-74.1	63.5	0	0	0	111.9	Y152 L193 E196 E206 L207 L208 L213 L214	Y152-H210 AromaticContact CE2-NE2 3.99Å; L193-H210 VanDerWaalsContact CD2-CD2 3.48Å; L193-H210 WeakPolarHBondContact CD2-CD2 3.25Å; E196-H210 IonicContact OE2-NE2 2.62Å; E206-H210 PolarHBondContact O-N 3.12Å; E206-H210 PolarHBondContact O-ND1 3.23Å; L207-H210 PolarHBondContact O-N 2.83Å; L208-H210 VanDerWaalsContact C-N 3.33Å; L208-H210 PolarHBondContact O-N 3.24Å; H210-L213 PolarHBondContact O-N 2.88Å; H210-L214 WeakPolarHBondContact O-CB 3.41Å; H210-L214 VanDerWaalsContact O-CG 3.31Å; H210-L214 WeakPolarHBondContact O-CG 3.46Å; H210-L214 PolarHBondContact O-N 3.08Å
211	V	73.6	Confident	69.2	Low	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-44.3	176.2	171.6	0	0	0	0	111.6	F197 L207 L208 L213 L214 I215 Y228 I280 F281	F197-V211 HydrophobicContact CD2-CG2 4.35Å; F197-V211 HydrophobicContact CE2-CG2 3.69Å; F197-V211 HydrophobicContact CZ-CG2 4.35Å; L207-V211 WeakPolarHBondContact O-CG2 3.5Å; L207-V211 PolarHBondContact O-N 3.49Å; L208-V211 PolarHBondContact O-N 3.4Å; V211-L213 VanDerWaalsContact C-N 3.27Å; V211-L213 PolarHBondContact O-N 3.36Å; V211-L214 PolarHBondContact O-N 3.19Å; V211-I215 HydrophobicContact CG1-CD1 3.87Å; V211-I215 WeakPolarHBondContact O-CG1 3.44Å; V211-I215 PolarHBondContact O-N 2.85Å; V211-Y228 HydrophobicContact CB-CD2 4.46Å; V211-Y228 HydrophobicContact CG2-CD2 3.65Å; V211-Y228 HydrophobicContact CG2-CE2 4.44Å; V211-Y228 HydrophobicContact CG2-CG 4.29Å; V211-I280 HydrophobicContact CG1-CD1 4.27Å; V211-I280 HydrophobicContact CG1-CG2 3.88Å; V211-F281 HydrophobicContact CG1-CE2 4.48Å; V211-F281 HydrophobicContact CG1-CZ 3.82Å
212	E	76.3	Confident	69.6	Low	83 Å²	83	53 Å²	53	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-38.9	175.2	-74.6	-177.1	-173.6	0	0	112.1	L208 S209 K216 I280	L208-E212 WeakPolarHBondContact O-CG 3.43Å; L208-E212 PolarHBondContact O-N 3.44Å; S209-E212 PolarHBondContact O-N 3.44Å; E212-K216 WeakPolarHBondContact O-CB 3.41Å; E212-K216 WeakPolarHBondContact O-CG 3.39Å; E212-K216 PolarHBondContact O-N 2.92Å; E212-I280 HydrophobicContact CG-CD1 4.34Å
213	L	74.7	Confident	70	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-42.3	176.6	-69.4	171.7	0	0	0	112.2	A153 V156 L193 S209 H210 V211 I215 K216 L217	A153-L213 HydrophobicContact CB-CD2 4.21Å; V156-L213 HydrophobicContact CB-CD2 3.79Å; V156-L213 HydrophobicContact CG1-CD2 4.17Å; V156-L213 HydrophobicContact CG2-CB 4.31Å; V156-L213 HydrophobicContact CG2-CD2 3.91Å; L193-L213 HydrophobicContact CD1-CB 4.48Å; S209-L213 WeakPolarHBondContact O-CB 3.28Å; S209-L213 WeakPolarHBondContact O-CG 3.38Å; S209-L213 PolarHBondContact O-N 3.14Å; H210-L213 PolarHBondContact O-N 2.88Å; V211-L213 VanDerWaalsContact C-N 3.27Å; V211-L213 PolarHBondContact O-N 3.36Å; L213-I215 PolarHBondContact O-N 2.99Å; L213-K216 WeakPolarHBondContact O-CB 3.24Å; L213-K216 PolarHBondContact O-N 3.04Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.71Å
214	L	76.6	Confident	70.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-39.7	176.7	-74.5	168.6	0	0	0	112.1	K190 L193 L194 H210 V211 L217 G218 E219 L224	K190-L214 HydrophobicContact CG-CD2 4.21Å; L193-L214 HydrophobicContact CB-CD2 3.74Å; L193-L214 HydrophobicContact CB-CG 4.21Å; L193-L214 HydrophobicContact CD1-CD2 4.27Å; L194-L214 HydrophobicContact CD2-CD1 4.05Å; L194-L214 HydrophobicContact CD2-CD2 4.21Å; L194-L214 HydrophobicContact CG-CD2 4.1Å; H210-L214 WeakPolarHBondContact O-CB 3.41Å; H210-L214 VanDerWaalsContact O-CG 3.31Å; H210-L214 WeakPolarHBondContact O-CG 3.46Å; H210-L214 PolarHBondContact O-N 3.08Å; V211-L214 PolarHBondContact O-N 3.19Å; L214-L217 CarbonylContact O-C 3.6Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 2.84Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L214-G218 PolarHBondContact O-N 2.95Å; L214-E219 PolarHBondContact O-N 3.43Å; L214-L224 HydrophobicContact CB-CD1 3.69Å; L214-L224 HydrophobicContact CD1-CD1 4.33Å; L214-L224 HydrophobicContact CD1-CD2 3.9Å
215	I	75.7	Confident	70.9	Confident	51 Å²	51	50.7 Å²	50.7	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-42.5	174.3	-68.8	169	0	0	0	110.6	V211 L213 L217 G218 L224 I280	V211-I215 HydrophobicContact CG1-CD1 3.87Å; V211-I215 WeakPolarHBondContact O-CG1 3.44Å; V211-I215 PolarHBondContact O-N 2.85Å; L213-I215 PolarHBondContact O-N 2.99Å; I215-L217 PolarHBondContact O-N 3.14Å; I215-G218 PolarHBondContact O-N 3.31Å; I215-L224 HydrophobicContact CG1-CD1 4.07Å; I215-I280 HydrophobicContact CD1-CG2 3.21Å
216	K	73	Confident	71.2	Confident	96 Å²	96	43.7 Å²	43.7	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-28.7	174	-78.4	176.1	-176.6	167.4	0	113.2	V156 Q160 E212 L213 G218	V156-K216 HydrophobicContact CG1-CB 3.65Å; V156-K216 HydrophobicContact CG1-CD 4.42Å; Q160-K216 VanDerWaalsContact NE2-CB 3.3Å; Q160-K216 PolarHBondContact NE2-O 2.8Å; E212-K216 WeakPolarHBondContact O-CB 3.41Å; E212-K216 WeakPolarHBondContact O-CG 3.39Å; E212-K216 PolarHBondContact O-N 2.92Å; L213-K216 WeakPolarHBondContact O-CB 3.24Å; L213-K216 PolarHBondContact O-N 3.04Å; K216-G218 VanDerWaalsContact C-N 3.26Å
217	L	71.2	Confident	71.3	Confident	24 Å²	24	41.3 Å²	41.3	13%	0.126	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.9	174	-70.6	175.3	0	0	0	113.9	V156 Y159 I186 K190 L193 L213 L214 I215	V156-L217 HydrophobicContact CB-CD2 4.47Å; V156-L217 HydrophobicContact CG1-CD2 4Å; V156-L217 HydrophobicContact CG1-CG 4.03Å; V156-L217 HydrophobicContact CG2-CD1 3.92Å; V156-L217 HydrophobicContact CG2-CD2 3.94Å; V156-L217 HydrophobicContact CG2-CG 3.88Å; Y159-L217 HydrophobicContact CD1-CD2 4.01Å; Y159-L217 HydrophobicContact CE1-CD2 4.31Å; I186-L217 HydrophobicContact CG2-CD2 3.56Å; K190-L217 HydrophobicContact CB-CD1 4.27Å; L193-L217 HydrophobicContact CD1-CD1 3.83Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.71Å; L214-L217 CarbonylContact O-C 3.6Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 2.84Å; L214-L217 VanDerWaalsContact O-N 3.15Å; I215-L217 PolarHBondContact O-N 3.14Å
218	G	69.7	Low	71.7	Confident	55 Å²	55	41.6 Å²	41.6	57%	0.567	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	18.1	173.6	0	0	0	0	0	114.9	L214 I215 K216	L214-G218 PolarHBondContact O-N 2.95Å; I215-G218 PolarHBondContact O-N 3.31Å; K216-G218 VanDerWaalsContact C-N 3.26Å
219	E	69.4	Low	71.9	Confident	44 Å²	44	39.3 Å²	39.3	21%	0.206	24%	0.235	C	C	.	.			trans	-66.1	145.8	164.2	-90.3	-61.3	159.2	0	0	111.5	K190 L214 L224	K190-E219 HydrophobicContact CD-CG 4.49Å; K190-E219 VanDerWaalsContact CE-CG 3.47Å; K190-E219 WeakPolarHBondContact CE-OE1 3.28Å; K190-E219 VanDerWaalsContact NZ-CD 3.31Å; K190-E219 IonicContact NZ-OE1 3.56Å; K190-E219 PolarHBondContact NZ-OE1 3.5Å; L214-E219 PolarHBondContact O-N 3.43Å; E219-L224 HydrophobicContact CB-CD1 3.96Å; E219-L224 HydrophobicContact CB-CG 4.42Å
220	Q	65.9	Low	72.2	Confident	129 Å²	129	42.9 Å²	42.9	60%	0.603	25%	0.245	S	C	*	.			trans	-74.7	127.2	176.4	-69.7	-65.3	-24.1	0	0	108.8	S222 A223	Q220-S222 PolarHBondContact O-N 3.03Å; Q220-S222 VanDerWaalsContact O-N 3.08Å; Q220-A223 WeakPolarHBondContact O-CB 3.48Å; Q220-A223 PolarHBondContact O-N 3.43Å
221	P	65.2	Low	72.5	Confident	40 Å²	40	42.9 Å²	42.9	26%	0.26	25%	0.246	S	C	.	.	H	α-helix	trans	-53.5	-34.8	-179.8	-25.3	32.5	0	0	0	112.7	A223 L224 A225 F281	P221-A223 PolarHBondContact O-N 3.22Å; P221-L224 PolarHBondContact O-N 3.41Å; P221-A225 WeakPolarHBondContact O-CB 3.3Å; P221-A225 PolarHBondContact O-N 3.41Å; P221-F281 HydrophobicContact CB-CD1 3.7Å; P221-F281 HydrophobicContact CB-CE1 3.97Å; P221-F281 WeakPolarHBondContact O-CD1 3.33Å; P221-F281 WeakPolarHBondContact O-CE1 3.4Å
222	S	66.7	Low	72.7	Confident	83 Å²	83	43.1 Å²	43.1	58%	0.58	25%	0.248	S	C	*	.	H	α-helix	trans	-60	-29.3	177.7	58.1	0	0	0	0	114.3	Q220	Q220-S222 PolarHBondContact O-N 3.03Å; Q220-S222 VanDerWaalsContact O-N 3.08Å
223	A	70	Confident	72.8	Confident	59 Å²	59	39.5 Å²	39.5	49%	0.488	23%	0.231	S	C	.	.	H	α-helix	trans	-77.4	-30.7	179.4	0	0	0	0	0	112.3	Q220 P221	Q220-A223 WeakPolarHBondContact O-CB 3.48Å; Q220-A223 PolarHBondContact O-N 3.43Å; P221-A223 PolarHBondContact O-N 3.22Å
224	L	71.3	Confident	73.1	Confident	4 Å²	4	41 Å²	41	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-88.7	-23.3	-178.4	-59.9	173	0	0	0	112.7	L194 F197 L214 I215 E219 P221 G226 D227 Y228 F281	L194-L224 HydrophobicContact CD2-CD2 3.94Å; F197-L224 HydrophobicContact CE1-CD2 4.39Å; L214-L224 HydrophobicContact CB-CD1 3.69Å; L214-L224 HydrophobicContact CD1-CD1 4.33Å; L214-L224 HydrophobicContact CD1-CD2 3.9Å; I215-L224 HydrophobicContact CG1-CD1 4.07Å; E219-L224 HydrophobicContact CB-CD1 3.96Å; E219-L224 HydrophobicContact CB-CG 4.42Å; P221-L224 PolarHBondContact O-N 3.41Å; L224-G226 PolarHBondContact O-N 3.34Å; L224-D227 PolarHBondContact O-N 3Å; L224-Y228 WeakPolarHBondContact O-CB 3.37Å; L224-Y228 PolarHBondContact O-N 2.79Å; L224-F281 HydrophobicContact CB-CE1 4.32Å; L224-F281 HydrophobicContact CB-CZ 4.41Å
225	A	72.2	Confident	73.3	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-52.8	-53.3	-174.9	0	0	0	0	0	112.3	P221 D227 Y228 L229 W277 F281 V284	P221-A225 WeakPolarHBondContact O-CB 3.3Å; P221-A225 PolarHBondContact O-N 3.41Å; A225-D227 VanDerWaalsContact C-N 3.34Å; A225-D227 PolarHBondContact O-N 2.71Å; A225-Y228 PolarHBondContact O-N 2.91Å; A225-L229 VanDerWaalsContact O-CB 3.31Å; A225-L229 WeakPolarHBondContact O-CB 3.48Å; A225-L229 PolarHBondContact O-N 3.43Å; A225-W277 HydrophobicContact CB-CH2 3.62Å; A225-W277 HydrophobicContact CB-CZ2 4.21Å; A225-W277 HydrophobicContact CB-CZ3 4.28Å; A225-W277 WeakPolarHBondContact O-CH2 3.16Å; A225-W277 WeakPolarHBondContact O-CZ3 3.42Å; A225-F281 HydrophobicContact CB-CD1 3.97Å; A225-F281 HydrophobicContact CB-CE1 4.01Å; A225-F281 HydrophobicContact CB-CG 4.4Å; A225-F281 HydrophobicContact CB-CZ 4.46Å; A225-V284 HydrophobicContact CB-CG1 4.3Å; A225-V284 HydrophobicContact CB-CG2 4.39Å
226	G	72.9	Confident	73.6	Confident	23 Å²	23	40.1 Å²	40.1	24%	0.237	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-38.3	-176.4	0	0	0	0	0	113.8	L224 K230	L224-G226 PolarHBondContact O-N 3.34Å; G226-K230 VanDerWaalsContact O-CG 3.3Å; G226-K230 WeakPolarHBondContact O-CG 3.25Å; G226-K230 PolarHBondContact O-N 3.44Å
227	D	72.4	Confident	74.1	Confident	45 Å²	45	40.8 Å²	40.8	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-83.9	-32.3	-176.9	-66.7	-31.1	0	0	0	112.4	F197 H198 L224 A225 L229 K230 S231	F197-D227 HydrophobicContact CD1-CB 4.39Å; F197-D227 HydrophobicContact CE1-CB 3.32Å; F197-D227 HydrophobicContact CZ-CB 3.65Å; H198-D227 IonicContact NE2-OD2 3.94Å; H198-D227 PolarHBondContact NE2-OD2 2.94Å; L224-D227 PolarHBondContact O-N 3Å; A225-D227 VanDerWaalsContact C-N 3.34Å; A225-D227 PolarHBondContact O-N 2.71Å; D227-L229 VanDerWaalsContact C-N 3.25Å; D227-L229 PolarHBondContact O-N 3.41Å; D227-K230 PolarHBondContact O-N 3.18Å; D227-K230 IonicContact OD1-NZ 3.32Å; D227-K230 PolarHBondContact OD1-NZ 3.31Å; D227-S231 WeakPolarHBondContact O-CB 3.42Å; D227-S231 PolarHBondContact O-N 3.39Å
228	Y	76.9	Confident	74.6	Confident	6 Å²	6	44 Å²	44	2%	0.024	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-42.9	169.5	174.1	-99.4	0	0	0	110	L207 V211 L224 A225 S231 S232 S276 W277 F281	L207-Y228 HydrophobicContact CD1-CD2 4.49Å; L207-Y228 HydrophobicContact CD2-CD2 3.57Å; L207-Y228 HydrophobicContact CD2-CE2 3.6Å; L207-Y228 HydrophobicContact CG-CD2 3.68Å; L207-Y228 HydrophobicContact CG-CE2 3.79Å; V211-Y228 HydrophobicContact CB-CD2 4.46Å; V211-Y228 HydrophobicContact CG2-CD2 3.65Å; V211-Y228 HydrophobicContact CG2-CE2 4.44Å; V211-Y228 HydrophobicContact CG2-CG 4.29Å; L224-Y228 WeakPolarHBondContact O-CB 3.37Å; L224-Y228 PolarHBondContact O-N 2.79Å; A225-Y228 PolarHBondContact O-N 2.91Å; Y228-S231 PolarHBondContact O-N 3.47Å; Y228-S232 VanDerWaalsContact O-CB 3.24Å; Y228-S232 WeakPolarHBondContact O-CB 3.42Å; Y228-S232 PolarHBondContact O-N 3.5Å; Y228-S232 PolarHBondContact O-OG 3.48Å; Y228-S276 WeakPolarHBondContact OH-CB 3.37Å; Y228-S276 PolarHBondContact OH-OG 2.94Å; Y228-W277 AromaticContact CD1-CE3 3.63Å; Y228-W277 HydrophobicContact CD1-CE3 3.63Å; Y228-W277 AromaticContact CD1-CZ3 3.87Å; Y228-W277 HydrophobicContact CD1-CZ3 3.87Å; Y228-W277 HydrophobicContact CE1-CE3 4.02Å; Y228-F281 AromaticContact CD1-CE2 3.72Å; Y228-F281 HydrophobicContact CD1-CE2 3.72Å; Y228-F281 HydrophobicContact CE1-CE2 4.32Å; Y228-F281 HydrophobicContact CG-CE2 4.04Å; Y228-F281 HydrophobicContact CG-CZ 4.42Å
229	L	74.4	Confident	75.1	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-54.9	176.9	-159.1	135.6	0	0	0	110	A225 D227 S231 S232 F233 W277 E288 L289 Q292	A225-L229 VanDerWaalsContact O-CB 3.31Å; A225-L229 WeakPolarHBondContact O-CB 3.48Å; A225-L229 PolarHBondContact O-N 3.43Å; D227-L229 VanDerWaalsContact C-N 3.25Å; D227-L229 PolarHBondContact O-N 3.41Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 2.94Å; L229-S232 PolarHBondContact O-N 2.92Å; L229-F233 HydrophobicContact CD1-CE2 4.22Å; L229-F233 HydrophobicContact CD2-CD2 3.46Å; L229-F233 VanDerWaalsContact CD2-CD2 3.46Å; L229-F233 HydrophobicContact CD2-CE2 3.49Å; L229-F233 VanDerWaalsContact CD2-CE2 3.49Å; L229-F233 HydrophobicContact CG-CD2 3.67Å; L229-F233 HydrophobicContact CG-CE2 3.57Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 WeakPolarHBondContact O-CD2 3.08Å; L229-F233 PolarHBondContact O-N 3.3Å; L229-W277 HydrophobicContact CB-CH2 4.06Å; L229-W277 HydrophobicContact CB-CZ3 3.65Å; L229-W277 HydrophobicContact CD1-CE3 4.07Å; L229-W277 HydrophobicContact CD1-CH2 3.47Å; L229-W277 VanDerWaalsContact CD1-CH2 3.47Å; L229-W277 HydrophobicContact CD1-CZ2 4.02Å; L229-W277 HydrophobicContact CD1-CZ3 3.54Å; L229-W277 HydrophobicContact CG-CH2 4.36Å; L229-W277 HydrophobicContact CG-CZ3 4.08Å; L229-E288 HydrophobicContact CD2-CG 4.38Å; L229-L289 HydrophobicContact CD1-CB 4.09Å; L229-L289 HydrophobicContact CD1-CD1 3.9Å; L229-Q292 HydrophobicContact CD2-CB 4.42Å; L229-Q292 HydrophobicContact CD2-CG 4.17Å
230	K	78.2	Confident	75.6	Confident	125 Å²	125	42.5 Å²	42.5	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-53.7	-46.1	177.8	-72.3	171.1	-158.6	156.2	0	113.1	G226 D227 F233 A234	G226-K230 VanDerWaalsContact O-CG 3.3Å; G226-K230 WeakPolarHBondContact O-CG 3.25Å; G226-K230 PolarHBondContact O-N 3.44Å; D227-K230 PolarHBondContact O-N 3.18Å; D227-K230 IonicContact OD1-NZ 3.32Å; D227-K230 PolarHBondContact OD1-NZ 3.31Å; K230-F233 PolarHBondContact O-N 3.02Å; K230-A234 WeakPolarHBondContact O-CB 3.48Å; K230-A234 PolarHBondContact O-N 2.78Å
231	S	76.4	Confident	76.2	Confident	15 Å²	15	40.8 Å²	40.8	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-43.7	-178.4	-172.1	0	0	0	0	111.9	D227 Y228 L229 F233 A234 C235	D227-S231 WeakPolarHBondContact O-CB 3.42Å; D227-S231 PolarHBondContact O-N 3.39Å; Y228-S231 PolarHBondContact O-N 3.47Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 2.94Å; S231-F233 VanDerWaalsContact C-N 3.33Å; S231-F233 PolarHBondContact O-N 3.41Å; S231-A234 PolarHBondContact O-N 3.05Å; S231-C235 PolarHBondContact O-N 3Å
232	S	78.3	Confident	76.8	Confident	6 Å²	6	43 Å²	43	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-42.5	175.3	-58.1	0	0	0	0	111.6	L207 Y228 L229 C235 L236	L207-S232 VanDerWaalsContact CD2-OG 3.3Å; L207-S232 WeakPolarHBondContact CD2-OG 3.15Å; Y228-S232 VanDerWaalsContact O-CB 3.24Å; Y228-S232 WeakPolarHBondContact O-CB 3.42Å; Y228-S232 PolarHBondContact O-N 3.5Å; Y228-S232 PolarHBondContact O-OG 3.48Å; L229-S232 PolarHBondContact O-N 2.92Å; S232-C235 PolarHBondContact O-N 3.44Å; S232-L236 WeakPolarHBondContact O-CG 3.42Å; S232-L236 PolarHBondContact O-N 3.06Å
233	F	78.9	Confident	77	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-34.3	176	-86	-75.3	0	0	0	113.3	L229 K230 S231 C235 L236 R237 L289 Q292 I293 L296	L229-F233 HydrophobicContact CD1-CE2 4.22Å; L229-F233 HydrophobicContact CD2-CD2 3.46Å; L229-F233 VanDerWaalsContact CD2-CD2 3.46Å; L229-F233 HydrophobicContact CD2-CE2 3.49Å; L229-F233 VanDerWaalsContact CD2-CE2 3.49Å; L229-F233 HydrophobicContact CG-CD2 3.67Å; L229-F233 HydrophobicContact CG-CE2 3.57Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 WeakPolarHBondContact O-CD2 3.08Å; L229-F233 PolarHBondContact O-N 3.3Å; K230-F233 PolarHBondContact O-N 3.02Å; S231-F233 VanDerWaalsContact C-N 3.33Å; S231-F233 PolarHBondContact O-N 3.41Å; F233-C235 VanDerWaalsContact C-N 3.32Å; F233-L236 PolarHBondContact O-N 3.4Å; F233-R237 VanDerWaalsContact O-CB 3.31Å; F233-R237 WeakPolarHBondContact O-CB 3.36Å; F233-R237 VanDerWaalsContact O-CG 3.27Å; F233-R237 WeakPolarHBondContact O-CG 3.5Å; F233-R237 PolarHBondContact O-N 3.33Å; F233-L289 HydrophobicContact CE2-CD1 4.45Å; F233-Q292 HydrophobicContact CD1-CB 4.33Å; F233-Q292 HydrophobicContact CD2-CB 4.15Å; F233-Q292 VanDerWaalsContact CE1-C 3.44Å; F233-Q292 HydrophobicContact CE1-CB 3.7Å; F233-Q292 WeakPolarHBondContact CE1-O 3.18Å; F233-Q292 HydrophobicContact CE2-CB 3.53Å; F233-Q292 HydrophobicContact CE2-CG 4.48Å; F233-Q292 VanDerWaalsContact CZ-C 3.43Å; F233-Q292 HydrophobicContact CZ-CB 3.24Å; F233-I293 HydrophobicContact CE1-CG1 4.04Å; F233-I293 HydrophobicContact CE2-CG1 4.35Å; F233-I293 HydrophobicContact CZ-CB 4.25Å; F233-I293 HydrophobicContact CZ-CG1 3.4Å; F233-I293 VanDerWaalsContact CZ-N 3.33Å; F233-L296 HydrophobicContact CD1-CD2 4.12Å; F233-L296 HydrophobicContact CE1-CB 4.15Å; F233-L296 HydrophobicContact CE1-CD2 4.05Å
234	A	80.2	Confident	76.9	Confident	43 Å²	43	41.8 Å²	41.8	36%	0.355	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-42.3	172.8	0	0	0	0	0	111	K230 S231 R237 Q238	K230-A234 WeakPolarHBondContact O-CB 3.48Å; K230-A234 PolarHBondContact O-N 2.78Å; S231-A234 PolarHBondContact O-N 3.05Å; A234-R237 PolarHBondContact O-N 2.91Å; A234-Q238 WeakPolarHBondContact O-CB 3.46Å; A234-Q238 PolarHBondContact O-N 3.32Å
235	C	80.6	Confident	76.5	Confident	29 Å²	29	44.5 Å²	44.5	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-46.5	175.1	-173.9	0	0	0	0	111.8	S231 S232 F233 R237 Q238 E239	S231-C235 PolarHBondContact O-N 3Å; S232-C235 PolarHBondContact O-N 3.44Å; F233-C235 VanDerWaalsContact C-N 3.32Å; C235-R237 VanDerWaalsContact C-N 3.34Å; C235-R237 PolarHBondContact O-N 3.49Å; C235-Q238 PolarHBondContact O-N 2.68Å; C235-E239 PolarHBondContact O-N 2.9Å
236	L	82	Confident	75.8	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-37.1	176.2	-71.5	174.6	0	0	0	113	S232 F233 E239 L240 N269 V270 V273 L296	S232-L236 WeakPolarHBondContact O-CG 3.42Å; S232-L236 PolarHBondContact O-N 3.06Å; F233-L236 PolarHBondContact O-N 3.4Å; L236-E239 PolarHBondContact O-N 3.44Å; L236-L240 WeakPolarHBondContact O-CB 3.49Å; L236-L240 PolarHBondContact O-N 2.81Å; L236-N269 HydrophobicContact CD2-CB 3.85Å; L236-V270 HydrophobicContact CD1-CG2 4.24Å; L236-V270 HydrophobicContact CD2-CG2 4.16Å; L236-V273 HydrophobicContact CD1-CB 4.44Å; L236-V273 HydrophobicContact CD1-CG2 4.06Å; L236-V273 HydrophobicContact CG-CG2 4.46Å; L236-L296 HydrophobicContact CB-CD2 3.81Å; L236-L296 HydrophobicContact CD1-CD2 3.78Å; L236-L296 HydrophobicContact CG-CD2 4.4Å
237	R	82.6	Confident	74.9	Confident	109 Å²	109	47.6 Å²	47.6	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-39.7	174.5	-77.9	176.9	178	-115	-6	111.5	F233 A234 C235 L240 D241 L296	F233-R237 VanDerWaalsContact O-CB 3.31Å; F233-R237 WeakPolarHBondContact O-CB 3.36Å; F233-R237 VanDerWaalsContact O-CG 3.27Å; F233-R237 WeakPolarHBondContact O-CG 3.5Å; F233-R237 PolarHBondContact O-N 3.33Å; A234-R237 PolarHBondContact O-N 2.91Å; C235-R237 VanDerWaalsContact C-N 3.34Å; C235-R237 PolarHBondContact O-N 3.49Å; R237-L240 WeakPolarHBondContact O-CB 3.25Å; R237-L240 PolarHBondContact O-N 3.11Å; R237-D241 VanDerWaalsContact O-CG 3.31Å; R237-D241 PolarHBondContact O-N 2.98Å; R237-L296 HydrophobicContact CG-CD1 3.85Å
238	Q	82.4	Confident	74	Confident	93 Å²	93	53.3 Å²	53.3	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-42.6	174	-173.6	-178.7	-14.4	0	0	111.3	A234 C235 L240 D241 D242	A234-Q238 WeakPolarHBondContact O-CB 3.46Å; A234-Q238 PolarHBondContact O-N 3.32Å; C235-Q238 PolarHBondContact O-N 2.68Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 2.9Å; Q238-D241 PolarHBondContact O-N 2.95Å; Q238-D242 WeakPolarHBondContact O-CB 3.3Å; Q238-D242 VanDerWaalsContact O-CG 3.23Å; Q238-D242 PolarHBondContact O-N 3.41Å
239	E	79.7	Confident	72.7	Confident	58 Å²	58	60.9 Å²	60.9	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-39	173.6	-72.8	-174.5	171.3	0	0	112.1	C235 L236 D242 T243 N269	C235-E239 PolarHBondContact O-N 2.9Å; L236-E239 PolarHBondContact O-N 3.44Å; E239-D242 PolarHBondContact O-N 3.22Å; E239-T243 WeakPolarHBondContact O-CG2 3.43Å; E239-T243 PolarHBondContact O-N 3.19Å; E239-T243 PolarHBondContact O-OG1 3.07Å; E239-N269 PolarHBondContact OE1-ND2 2.82Å; E239-N269 PolarHBondContact OE2-ND2 3.33Å
240	L	79.6	Confident	71.4	Confident	9 Å²	9	66 Å²	66	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-48.5	174	-178.6	61.6	0	0	0	111	L236 R237 Q238 T243 Q244 F266 L296 E299 Y300	L236-L240 WeakPolarHBondContact O-CB 3.49Å; L236-L240 PolarHBondContact O-N 2.81Å; R237-L240 WeakPolarHBondContact O-CB 3.25Å; R237-L240 PolarHBondContact O-N 3.11Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 2.9Å; L240-T243 PolarHBondContact O-N 3.22Å; L240-T243 PolarHBondContact O-OG1 3.12Å; L240-Q244 WeakPolarHBondContact O-CG 3.33Å; L240-Q244 PolarHBondContact O-N 3.46Å; L240-F266 HydrophobicContact CB-CE2 4.16Å; L240-L296 HydrophobicContact CD2-CD1 4.25Å; L240-E299 HydrophobicContact CD2-CB 4.47Å; L240-Y300 HydrophobicContact CD1-CD2 3.45Å; L240-Y300 VanDerWaalsContact CD1-CD2 3.45Å; L240-Y300 HydrophobicContact CD1-CE2 4.23Å; L240-Y300 HydrophobicContact CD1-CG 4.34Å
241	D	79.6	Confident	70.2	Confident	93 Å²	93	64.8 Å²	64.8	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-38.9	178	-65.6	-21.5	0	0	0	111.9	R237 Q238 T243 Q244 A245	R237-D241 VanDerWaalsContact O-CG 3.31Å; R237-D241 PolarHBondContact O-N 2.98Å; Q238-D241 PolarHBondContact O-N 2.95Å; D241-T243 VanDerWaalsContact C-N 3.34Å; D241-T243 PolarHBondContact O-N 3.48Å; D241-Q244 WeakPolarHBondContact O-CB 3.31Å; D241-Q244 PolarHBondContact O-N 3.42Å; D241-Q244 VanDerWaalsContact O-N 3.11Å; D241-A245 PolarHBondContact O-N 3.47Å
242	D	78	Confident	68.9	Low	86 Å²	86	69.2 Å²	69.2	46%	0.46	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-37.4	176.7	-73.5	-21.6	0	0	0	111.3	Q238 E239 Q244 A245 S246	Q238-D242 WeakPolarHBondContact O-CB 3.3Å; Q238-D242 VanDerWaalsContact O-CG 3.23Å; Q238-D242 PolarHBondContact O-N 3.41Å; E239-D242 PolarHBondContact O-N 3.22Å; D242-Q244 VanDerWaalsContact C-N 3.29Å; D242-Q244 PolarHBondContact O-N 3.21Å; D242-A245 PolarHBondContact O-N 3.35Å; D242-S246 WeakPolarHBondContact O-CB 3.48Å; D242-S246 PolarHBondContact O-N 2.93Å
243	T	70.6	Confident	68.1	Low	28 Å²	28	69.9 Å²	69.9	17%	0.172	38%	0.381	C	S	.	.	H	α-helix	trans	-63.6	-35.2	172.1	57.1	0	0	0	0	111.8	E239 L240 D241 D247 V262	E239-T243 WeakPolarHBondContact O-CG2 3.43Å; E239-T243 PolarHBondContact O-N 3.19Å; E239-T243 PolarHBondContact O-OG1 3.07Å; L240-T243 PolarHBondContact O-N 3.22Å; L240-T243 PolarHBondContact O-OG1 3.12Å; D241-T243 VanDerWaalsContact C-N 3.34Å; D241-T243 PolarHBondContact O-N 3.48Å; T243-D247 VanDerWaalsContact O-CB 3.31Å; T243-D247 WeakPolarHBondContact O-CB 3.44Å; T243-D247 PolarHBondContact O-N 3.01Å; T243-V262 HydrophobicContact CG2-CG1 3.65Å
244	Q	67.5	Low	67.9	Low	88 Å²	88	74.7 Å²	74.7	41%	0.411	41%	0.406	S	S	.	.	H	α-helix	trans	-66.3	-37.9	173.7	-63.6	-178.6	-8.9	0	0	112.4	L240 D241 D242	L240-Q244 WeakPolarHBondContact O-CG 3.33Å; L240-Q244 PolarHBondContact O-N 3.46Å; D241-Q244 WeakPolarHBondContact O-CB 3.31Å; D241-Q244 PolarHBondContact O-N 3.42Å; D241-Q244 VanDerWaalsContact O-N 3.11Å; D242-Q244 VanDerWaalsContact C-N 3.29Å; D242-Q244 PolarHBondContact O-N 3.21Å
245	A	63.1	Low	68.1	Low	62 Å²	62	72.6 Å²	72.6	51%	0.512	39%	0.39	S	S	.	.	H	α-helix	trans	-72.9	-46.7	179.9	0	0	0	0	0	112.4	D241 D242 D247 Q248	D241-A245 PolarHBondContact O-N 3.47Å; D242-A245 PolarHBondContact O-N 3.35Å; A245-D247 PolarHBondContact O-N 3.29Å; A245-Q248 PolarHBondContact O-N 3.38Å
246	S	58.6	Low	68.2	Low	58 Å²	58	73 Å²	73	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-24.6	-178.8	-160.9	0	0	0	0	112.5	D242 Q248 E249 M250	D242-S246 WeakPolarHBondContact O-CB 3.48Å; D242-S246 PolarHBondContact O-N 2.93Å; S246-Q248 PolarHBondContact O-N 3.45Å; S246-E249 PolarHBondContact O-N 3.35Å; S246-M250 PolarHBondContact O-N 3.19Å
247	D	53.3	Low	68.2	Low	33 Å²	33	77.3 Å²	77.3	18%	0.176	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.2	177.4	-79.8	-7.9	0	0	0	114.1	T243 A245 E249 H303 K307	T243-D247 VanDerWaalsContact O-CB 3.31Å; T243-D247 WeakPolarHBondContact O-CB 3.44Å; T243-D247 PolarHBondContact O-N 3.01Å; A245-D247 PolarHBondContact O-N 3.29Å; D247-E249 VanDerWaalsContact C-N 3.27Å; D247-E249 PolarHBondContact O-N 3Å; D247-H303 IonicContact OD2-CE1 2.69Å; D247-H303 IonicContact OD2-NE2 2.78Å; D247-H303 PolarHBondContact OD2-NE2 3.12Å; D247-K307 IonicContact OD1-NZ 2.98Å; D247-K307 PolarHBondContact OD1-NZ 3.36Å; D247-K307 WeakPolarHBondContact OD2-CD 3.47Å; D247-K307 VanDerWaalsContact OD2-CE 3.26Å; D247-K307 WeakPolarHBondContact OD2-CE 3.36Å; D247-K307 IonicContact OD2-NZ 3.02Å; D247-K307 PolarHBondContact OD2-NZ 2.96Å
248	Q	53.7	Low	68.3	Low	166 Å²	166	72.2 Å²	72.2	78%	0.776	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.2	174.4	-64.4	-172.4	3.2	0	0	112.7	A245 S246	A245-Q248 PolarHBondContact O-N 3.38Å; S246-Q248 PolarHBondContact O-N 3.45Å
249	E	48.8	Very low	68.4	Low	164 Å²	164	67.8 Å²	67.8	77%	0.766	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-35.6	-177.3	-62.6	-173.6	163.9	0	0	112	S246 D247 T251	S246-E249 PolarHBondContact O-N 3.35Å; D247-E249 VanDerWaalsContact C-N 3.27Å; D247-E249 PolarHBondContact O-N 3Å; E249-T251 PolarHBondContact O-N 2.85Å
250	M	48.2	Very low	68.7	Low	110 Å²	110	67.8 Å²	67.8	54%	0.542	37%	0.371	S	S	.	.			trans	-85.1	49.8	-173.9	-149.2	91.8	88.6	0	0	113.1	S246 S252	S246-M250 PolarHBondContact O-N 3.19Å; M250-S252 PolarHBondContact O-N 2.8Å
251	T	51.9	Low	68.9	Low	100 Å²	100	70.2 Å²	70.2	61%	0.613	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-2	-175.2	51.7	0	0	0	0	115.4	E249	E249-T251 PolarHBondContact O-N 2.85Å
252	S	50.2	Low	69	Low	107 Å²	107	67.3 Å²	67.3	75%	0.748	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	8.1	-169.9	60.7	0	0	0	0	115.6	M250	M250-S252 PolarHBondContact O-N 2.8Å
253	S	60.1	Low	69.3	Low	21 Å²	21	63.2 Å²	63.2	15%	0.147	35%	0.35	C	S	.	.			trans	-82.1	134.1	178.3	173.6	0	0	0	0	111.4	H257 F313	S253-H257 WeakPolarHBondContact OG-CB 3.23Å; S253-H257 PolarHBondContact OG-ND1 2.87Å; S253-F313 WeakPolarHBondContact O-CE1 3.41Å
254	D	76	Confident	70	Confident	106 Å²	106	63.5 Å²	63.5	57%	0.567	35%	0.353	S	S	*	.			trans	-59.2	153.3	170.7	-69.1	-12.3	0	0	0	112	L256 H257 F258 E316	D254-L256 VanDerWaalsContact C-N 3.29Å; D254-L256 PolarHBondContact O-N 3.42Å; D254-H257 HydrophobicContact CB-CB 4.48Å; D254-H257 PolarHBondContact O-N 3.49Å; D254-H257 VanDerWaalsContact O-N 3.08Å; D254-F258 PolarHBondContact O-N 2.75Å; D254-E316 VanDerWaalsContact CA-OE1 3.23Å; D254-E316 WeakPolarHBondContact CA-OE1 3.41Å
255	V	82.6	Confident	70.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-54.6	-43.8	178.6	-179.9	0	0	0	0	111.6	F258 V259 F308 F313 E316 M321 A324	V255-F258 WeakPolarHBondContact O-CB 3.33Å; V255-F258 PolarHBondContact O-N 2.89Å; V255-V259 PolarHBondContact O-N 3.49Å; V255-F308 HydrophobicContact CG1-CD1 4.19Å; V255-F308 HydrophobicContact CG1-CE1 3.77Å; V255-F313 HydrophobicContact CB-CD1 4.17Å; V255-F313 HydrophobicContact CB-CE1 4.44Å; V255-F313 HydrophobicContact CB-CG 4.5Å; V255-F313 HydrophobicContact CG2-CB 3.48Å; V255-F313 VanDerWaalsContact CG2-CB 3.48Å; V255-F313 HydrophobicContact CG2-CD1 3.23Å; V255-F313 HydrophobicContact CG2-CD2 4.27Å; V255-F313 HydrophobicContact CG2-CE1 3.94Å; V255-F313 HydrophobicContact CG2-CG 3.42Å; V255-F313 VanDerWaalsContact CG2-CG 3.42Å; V255-E316 VanDerWaalsContact CB-OE2 3.28Å; V255-E316 WeakPolarHBondContact CB-OE2 3.47Å; V255-E316 HydrophobicContact CG2-CG 4.31Å; V255-E316 WeakPolarHBondContact CG2-OE1 3.5Å; V255-E316 WeakPolarHBondContact CG2-OE2 3.26Å; V255-E316 PolarHBondContact N-OE1 2.73Å; V255-E316 PolarHBondContact N-OE2 2.83Å; V255-M321 HydrophobicContact CG1-SD 3.95Å; V255-M321 HydrophobicContact CG2-SD 4.43Å; V255-A324 HydrophobicContact CB-CB 4.48Å; V255-A324 HydrophobicContact CG1-CB 3.44Å; V255-A324 VanDerWaalsContact CG1-CB 3.44Å
256	L	83.1	Confident	72	Confident	37 Å²	37	60.3 Å²	60.3	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-39.9	179.3	-80.3	176.8	0	0	0	112.1	D254 F258 V259 D260 L320 A324	D254-L256 VanDerWaalsContact C-N 3.29Å; D254-L256 PolarHBondContact O-N 3.42Å; L256-F258 VanDerWaalsContact C-N 3.33Å; L256-V259 PolarHBondContact O-N 2.89Å; L256-D260 VanDerWaalsContact O-CB 3.31Å; L256-D260 WeakPolarHBondContact O-CB 3.49Å; L256-D260 PolarHBondContact O-N 3.48Å; L256-L320 HydrophobicContact CD1-CD2 3.52Å; L256-L320 HydrophobicContact CG-CD2 4.34Å; L256-A324 HydrophobicContact CD2-CB 3.93Å
257	H	83.3	Confident	73.4	Confident	95 Å²	95	57.9 Å²	57.9	44%	0.44	32%	0.316	S	S	.	.	H	α-helix	trans	-67.5	-37.6	177	179.2	-91.1	0	0	0	110.8	S253 D254 V259 D260 T261	S253-H257 WeakPolarHBondContact OG-CB 3.23Å; S253-H257 PolarHBondContact OG-ND1 2.87Å; D254-H257 HydrophobicContact CB-CB 4.48Å; D254-H257 PolarHBondContact O-N 3.49Å; D254-H257 VanDerWaalsContact O-N 3.08Å; H257-V259 PolarHBondContact O-N 3.12Å; H257-D260 PolarHBondContact O-N 3.49Å; H257-T261 PolarHBondContact CD2-OG1 2.63Å; H257-T261 PolarHBondContact CE1-OG1 2.99Å; H257-T261 PolarHBondContact NE2-OG1 3.32Å; H257-T261 VanDerWaalsContact NE2-OG1 3.12Å; H257-T261 WeakPolarHBondContact O-CB 3.27Å; H257-T261 PolarHBondContact O-N 2.95Å; H257-T261 PolarHBondContact O-OG1 3.21Å
258	F	83.4	Confident	75	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.013	32%	0.322	C	S	.	.	I	π-helix	trans	-58.5	-47.7	172.1	170.6	-109.8	0	0	0	111.8	D254 V255 L256 V262 C263 K307 F308 F313	D254-F258 PolarHBondContact O-N 2.75Å; V255-F258 WeakPolarHBondContact O-CB 3.33Å; V255-F258 PolarHBondContact O-N 2.89Å; L256-F258 VanDerWaalsContact C-N 3.33Å; F258-V262 HydrophobicContact CD2-CB 3.66Å; F258-V262 HydrophobicContact CD2-CG1 4.27Å; F258-V262 HydrophobicContact CD2-CG2 3.64Å; F258-V262 HydrophobicContact CE2-CB 3.53Å; F258-V262 HydrophobicContact CE2-CG1 3.65Å; F258-V262 HydrophobicContact CE2-CG2 3.89Å; F258-V262 HydrophobicContact CZ-CB 4.46Å; F258-V262 HydrophobicContact CZ-CG1 4.46Å; F258-V262 WeakPolarHBondContact O-CA 3.35Å; F258-V262 WeakPolarHBondContact O-CB 3.31Å; F258-V262 PolarHBondContact O-N 2.94Å; F258-C263 PolarHBondContact O-N 3.26Å; F258-K307 HydrophobicContact CD1-CD 4.22Å; F258-K307 HydrophobicContact CD2-CD 3.92Å; F258-K307 HydrophobicContact CE1-CD 3.77Å; F258-K307 HydrophobicContact CE2-CD 3.43Å; F258-K307 VanDerWaalsContact CE2-CD 3.43Å; F258-K307 HydrophobicContact CG-CD 4.29Å; F258-K307 HydrophobicContact CZ-CD 3.35Å; F258-F308 HydrophobicContact CD1-CE1 4.39Å; F258-F308 HydrophobicContact CD1-CZ 4.46Å; F258-F308 HydrophobicContact CE1-CZ 4.3Å; F258-F313 HydrophobicContact CB-CE1 4.46Å; F258-F313 HydrophobicContact CB-CZ 3.76Å; F258-F313 HydrophobicContact CD1-CE2 4.02Å; F258-F313 HydrophobicContact CD1-CZ 4.09Å; F258-F313 HydrophobicContact CG-CE2 4.27Å; F258-F313 AromaticContact CG-CZ 3.91Å; F258-F313 HydrophobicContact CG-CZ 3.91Å
259	V	85.3	Confident	76.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-65.8	-46.3	177.8	174	0	0	0	0	111.4	V255 L256 H257 T261 C263 S264 F308 A324 R327 F328 R331	V255-V259 PolarHBondContact O-N 3.49Å; L256-V259 PolarHBondContact O-N 2.89Å; H257-V259 PolarHBondContact O-N 3.12Å; V259-T261 VanDerWaalsContact C-N 3.34Å; V259-T261 PolarHBondContact O-N 3.5Å; V259-C263 HydrophobicContact CG1-CB 4.43Å; V259-C263 VanDerWaalsContact O-CB 3.3Å; V259-C263 WeakPolarHBondContact O-CB 3.45Å; V259-C263 PolarHBondContact O-N 3.28Å; V259-S264 PolarHBondContact O-N 3.42Å; V259-S264 VanDerWaalsContact O-N 3.1Å; V259-S264 PolarHBondContact O-OG 2.87Å; V259-F308 HydrophobicContact CG2-CE1 4.06Å; V259-F308 HydrophobicContact CG2-CZ 3.76Å; V259-A324 HydrophobicContact CG2-CB 3.99Å; V259-R327 HydrophobicContact CG1-CB 4.08Å; V259-F328 HydrophobicContact CG1-CB 4.19Å; V259-R331 PolarHBondContact O-NH1 3.37Å
260	D	85.9	Confident	78.3	Confident	58 Å²	58	44 Å²	44	31%	0.31	26%	0.259	S	S	.	.	I	π-helix	trans	-71.6	-25.7	-176.5	-75.1	-22.8	0	0	0	114	L256 H257 S264 R327 R331	L256-D260 VanDerWaalsContact O-CB 3.31Å; L256-D260 WeakPolarHBondContact O-CB 3.49Å; L256-D260 PolarHBondContact O-N 3.48Å; H257-D260 PolarHBondContact O-N 3.49Å; D260-S264 VanDerWaalsContact C-OG 3.22Å; D260-S264 WeakPolarHBondContact O-CB 3.39Å; D260-S264 PolarHBondContact O-OG 2.94Å; D260-R327 VanDerWaalsContact CG-NH1 3.32Å; D260-R327 IonicContact OD1-NH1 2.87Å; D260-R327 PolarHBondContact OD1-NH1 3.44Å; D260-R327 IonicContact OD2-CZ 3.37Å; D260-R327 IonicContact OD2-NH1 2.86Å; D260-R327 PolarHBondContact OD2-NH1 3.32Å; D260-R331 IonicContact OD1-CZ 3.69Å; D260-R331 IonicContact OD1-NH1 3.66Å; D260-R331 IonicContact OD1-NH2 3.08Å; D260-R331 PolarHBondContact OD1-NH2 3.46Å
261	T	83.8	Confident	80.1	Confident	60 Å²	60	40.5 Å²	40.5	37%	0.368	25%	0.246	S	C	.	.	I	π-helix	trans	-102.1	-61.6	-178	-45.6	0	0	0	0	110	H257 V259 T265	H257-T261 PolarHBondContact CD2-OG1 2.63Å; H257-T261 PolarHBondContact CE1-OG1 2.99Å; H257-T261 PolarHBondContact NE2-OG1 3.32Å; H257-T261 VanDerWaalsContact NE2-OG1 3.12Å; H257-T261 WeakPolarHBondContact O-CB 3.27Å; H257-T261 PolarHBondContact O-N 2.95Å; H257-T261 PolarHBondContact O-OG1 3.21Å; V259-T261 VanDerWaalsContact C-N 3.34Å; V259-T261 PolarHBondContact O-N 3.5Å; T261-T265 WeakPolarHBondContact O-CB 3.24Å; T261-T265 PolarHBondContact O-N 3.37Å; T261-T265 VanDerWaalsContact O-N 3.11Å; T261-T265 PolarHBondContact O-OG1 2.65Å
262	V	81.4	Confident	81.7	Confident	32 Å²	32	41 Å²	41	19%	0.194	24%	0.244	C	C	.	.	I	π-helix	trans	-74.7	-51.1	-173	-173.8	0	0	0	0	111	T243 F258 S264 T265 F266	T243-V262 HydrophobicContact CG2-CG1 3.65Å; F258-V262 HydrophobicContact CD2-CB 3.66Å; F258-V262 HydrophobicContact CD2-CG1 4.27Å; F258-V262 HydrophobicContact CD2-CG2 3.64Å; F258-V262 HydrophobicContact CE2-CB 3.53Å; F258-V262 HydrophobicContact CE2-CG1 3.65Å; F258-V262 HydrophobicContact CE2-CG2 3.89Å; F258-V262 HydrophobicContact CZ-CB 4.46Å; F258-V262 HydrophobicContact CZ-CG1 4.46Å; F258-V262 WeakPolarHBondContact O-CA 3.35Å; F258-V262 WeakPolarHBondContact O-CB 3.31Å; F258-V262 PolarHBondContact O-N 2.94Å; V262-S264 PolarHBondContact O-N 3.48Å; V262-T265 PolarHBondContact O-N 3.28Å; V262-F266 PolarHBondContact O-N 2.87Å; V262-F266 VanDerWaalsContact O-N 3.12Å
263	C	84.6	Confident	83.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-67.6	-35.4	179.8	-54.4	0	0	0	0	112.6	F258 V259 L267 Y300 F328	F258-C263 PolarHBondContact O-N 3.26Å; V259-C263 HydrophobicContact CG1-CB 4.43Å; V259-C263 VanDerWaalsContact O-CB 3.3Å; V259-C263 WeakPolarHBondContact O-CB 3.45Å; V259-C263 PolarHBondContact O-N 3.28Å; C263-L267 WeakPolarHBondContact O-CB 3.13Å; C263-L267 WeakPolarHBondContact O-CG 3.39Å; C263-L267 PolarHBondContact O-N 3.46Å; C263-Y300 VanDerWaalsContact CA-OH 3.22Å; C263-Y300 WeakPolarHBondContact CA-OH 3.3Å; C263-Y300 PolarHBondContact SG-OH 2.96Å; C263-F328 HydrophobicContact CB-CD2 4.08Å; C263-F328 HydrophobicContact CB-CE2 4.49Å
264	S	85.6	Confident	84.4	Confident	34 Å²	34	35.8 Å²	35.8	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-42.9	173.9	-61.4	0	0	0	0	112.7	V259 D260 V262 G268 R331	V259-S264 PolarHBondContact O-N 3.42Å; V259-S264 VanDerWaalsContact O-N 3.1Å; V259-S264 PolarHBondContact O-OG 2.87Å; D260-S264 VanDerWaalsContact C-OG 3.22Å; D260-S264 WeakPolarHBondContact O-CB 3.39Å; D260-S264 PolarHBondContact O-OG 2.94Å; V262-S264 PolarHBondContact O-N 3.48Å; S264-G268 WeakPolarHBondContact O-CA 3.4Å; S264-G268 PolarHBondContact O-N 3.19Å; S264-R331 PolarHBondContact OG-NH1 2.81Å; S264-R331 PolarHBondContact OG-NH2 3.47Å
265	T	85.2	Confident	84.8	Confident	80 Å²	80	33.9 Å²	33.9	49%	0.491	20%	0.199	S	C	.	.	H	α-helix	trans	-67	-51.7	-175.3	-56.5	0	0	0	0	109.6	T261 V262 G268 N269	T261-T265 WeakPolarHBondContact O-CB 3.24Å; T261-T265 PolarHBondContact O-N 3.37Å; T261-T265 VanDerWaalsContact O-N 3.11Å; T261-T265 PolarHBondContact O-OG1 2.65Å; V262-T265 PolarHBondContact O-N 3.28Å; T265-G268 PolarHBondContact O-N 3.25Å; T265-N269 VanDerWaalsContact O-CG 3.27Å; T265-N269 PolarHBondContact O-N 2.93Å; T265-N269 PolarHBondContact O-ND2 3.32Å
266	F	86.8	Confident	84.7	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.013	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-51.5	179	-177.2	-99.6	0	0	0	112.2	L240 V262 G268 N269 V270 L296 Y300	L240-F266 HydrophobicContact CB-CE2 4.16Å; V262-F266 PolarHBondContact O-N 2.87Å; V262-F266 VanDerWaalsContact O-N 3.12Å; F266-G268 VanDerWaalsContact C-N 3.26Å; F266-G268 PolarHBondContact O-N 3.33Å; F266-N269 PolarHBondContact O-N 2.54Å; F266-N269 VanDerWaalsContact O-N 3.15Å; F266-V270 HydrophobicContact CD1-CG2 4.27Å; F266-V270 HydrophobicContact CE1-CG2 3.92Å; F266-V270 HydrophobicContact CZ-CG2 4.15Å; F266-V270 WeakPolarHBondContact O-CG2 3.39Å; F266-V270 PolarHBondContact O-N 2.96Å; F266-L296 HydrophobicContact CZ-CD2 4.01Å; F266-L296 HydrophobicContact CZ-CG 4.12Å; F266-Y300 HydrophobicContact CB-CE2 4.37Å; F266-Y300 AromaticContact CD1-CD1 3.52Å; F266-Y300 HydrophobicContact CD1-CD1 3.52Å; F266-Y300 AromaticContact CD1-CD2 3.77Å; F266-Y300 HydrophobicContact CD1-CD2 3.77Å; F266-Y300 AromaticContact CD1-CE1 3.51Å; F266-Y300 HydrophobicContact CD1-CE1 3.51Å; F266-Y300 AromaticContact CD1-CE2 3.74Å; F266-Y300 HydrophobicContact CD1-CE2 3.74Å; F266-Y300 AromaticContact CD1-CG 3.64Å; F266-Y300 HydrophobicContact CD1-CG 3.64Å; F266-Y300 AromaticContact CD1-CZ 3.62Å; F266-Y300 AromaticContact CE1-CD1 3.55Å; F266-Y300 HydrophobicContact CE1-CD1 3.55Å; F266-Y300 AromaticContact CE1-CD2 3.71Å; F266-Y300 HydrophobicContact CE1-CD2 3.71Å; F266-Y300 HydrophobicContact CE1-CE1 4.06Å; F266-Y300 HydrophobicContact CE1-CE2 4.18Å; F266-Y300 AromaticContact CE1-CG 3.34Å; F266-Y300 HydrophobicContact CE1-CG 3.34Å; F266-Y300 HydrophobicContact CG-CD2 4.32Å; F266-Y300 HydrophobicContact CG-CE1 4.37Å; F266-Y300 HydrophobicContact CG-CE2 4.01Å; F266-Y300 HydrophobicContact CZ-CD2 4.21Å; F266-Y300 HydrophobicContact CZ-CG 4.11Å
267	L	88.2	Confident	84.5	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-31.5	179.5	-65	178.9	0	0	0	112.3	C263 S271 L297 Y300 F328 R331 I335	C263-L267 WeakPolarHBondContact O-CB 3.13Å; C263-L267 WeakPolarHBondContact O-CG 3.39Å; C263-L267 PolarHBondContact O-N 3.46Å; L267-S271 WeakPolarHBondContact O-CB 3.19Å; L267-S271 PolarHBondContact O-N 3.33Å; L267-L297 HydrophobicContact CD2-CD2 3.88Å; L267-Y300 HydrophobicContact CD2-CD1 4.25Å; L267-Y300 HydrophobicContact CD2-CE1 4.11Å; L267-Y300 HydrophobicContact CG-CE1 4.3Å; L267-F328 HydrophobicContact CD1-CD2 4.4Å; L267-F328 HydrophobicContact CD1-CE2 4.34Å; L267-R331 HydrophobicContact CD1-CB 3.8Å; L267-I335 HydrophobicContact CB-CD1 3.89Å; L267-I335 HydrophobicContact CD2-CD1 3.74Å; L267-I335 HydrophobicContact CG-CD1 4.3Å
268	G	87.4	Confident	84.3	Confident	31 Å²	31	31.6 Å²	31.6	32%	0.32	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-44.9	172.2	0	0	0	0	0	112	S264 T265 F266 S271 L272	S264-G268 WeakPolarHBondContact O-CA 3.4Å; S264-G268 PolarHBondContact O-N 3.19Å; T265-G268 PolarHBondContact O-N 3.25Å; F266-G268 VanDerWaalsContact C-N 3.26Å; F266-G268 PolarHBondContact O-N 3.33Å; G268-S271 WeakPolarHBondContact O-CB 3.35Å; G268-S271 PolarHBondContact O-N 3.45Å; G268-L272 WeakPolarHBondContact O-CG 3.15Å; G268-L272 PolarHBondContact O-N 2.95Å
269	N	84.1	Confident	84.2	Confident	41 Å²	41	35.8 Å²	35.8	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-41.3	176.4	-68.9	-16.6	0	0	0	111.8	L236 E239 T265 F266 S271 L272 V273	L236-N269 HydrophobicContact CD2-CB 3.85Å; E239-N269 PolarHBondContact OE1-ND2 2.82Å; E239-N269 PolarHBondContact OE2-ND2 3.33Å; T265-N269 VanDerWaalsContact O-CG 3.27Å; T265-N269 PolarHBondContact O-N 2.93Å; T265-N269 PolarHBondContact O-ND2 3.32Å; F266-N269 PolarHBondContact O-N 2.54Å; F266-N269 VanDerWaalsContact O-N 3.15Å; N269-S271 VanDerWaalsContact C-N 3.33Å; N269-S271 PolarHBondContact O-N 3.3Å; N269-L272 WeakPolarHBondContact O-CB 3.43Å; N269-L272 PolarHBondContact O-N 3.47Å; N269-V273 WeakPolarHBondContact O-CG2 3.46Å; N269-V273 PolarHBondContact O-N 3.22Å
270	V	87.1	Confident	83.7	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-46.4	170.8	177.2	0	0	0	0	110.7	L236 F266 L272 V273 I274 I293 L296 L297	L236-V270 HydrophobicContact CD1-CG2 4.24Å; L236-V270 HydrophobicContact CD2-CG2 4.16Å; F266-V270 HydrophobicContact CD1-CG2 4.27Å; F266-V270 HydrophobicContact CE1-CG2 3.92Å; F266-V270 HydrophobicContact CZ-CG2 4.15Å; F266-V270 WeakPolarHBondContact O-CG2 3.39Å; F266-V270 PolarHBondContact O-N 2.96Å; V270-L272 VanDerWaalsContact C-N 3.29Å; V270-L272 PolarHBondContact O-N 3.3Å; V270-V273 PolarHBondContact O-N 2.86Å; V270-I274 HydrophobicContact CG1-CD1 3.97Å; V270-I274 VanDerWaalsContact O-CG1 3.31Å; V270-I274 WeakPolarHBondContact O-CG1 3.34Å; V270-I274 PolarHBondContact O-N 3.2Å; V270-I293 HydrophobicContact CG1-CG2 4.05Å; V270-L296 HydrophobicContact CG2-CD2 4.39Å; V270-L297 HydrophobicContact CG1-CD2 4.44Å; V270-L297 HydrophobicContact CG2-CD2 4.49Å
271	S	86.5	Confident	83.4	Confident	37 Å²	37	34.3 Å²	34.3	26%	0.259	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-38.1	177.1	-172.7	0	0	0	0	112.2	L267 G268 N269 I274 T275	L267-S271 WeakPolarHBondContact O-CB 3.19Å; L267-S271 PolarHBondContact O-N 3.33Å; G268-S271 WeakPolarHBondContact O-CB 3.35Å; G268-S271 PolarHBondContact O-N 3.45Å; N269-S271 VanDerWaalsContact C-N 3.33Å; N269-S271 PolarHBondContact O-N 3.3Å; S271-I274 PolarHBondContact O-N 2.68Å; S271-T275 WeakPolarHBondContact O-CG2 3.28Å; S271-T275 PolarHBondContact O-N 3.29Å; S271-T275 PolarHBondContact O-OG1 3.19Å; S271-T275 VanDerWaalsContact O-OG1 3.09Å
272	L	84.5	Confident	82.9	Confident	109 Å²	109	36.9 Å²	36.9	57%	0.571	22%	0.219	S	C	*	.	H	α-helix	trans	-61.8	-48.7	176.6	-76.2	170.1	0	0	0	110.6	G268 N269 V270 I274 T275 S276	G268-L272 WeakPolarHBondContact O-CG 3.15Å; G268-L272 PolarHBondContact O-N 2.95Å; N269-L272 WeakPolarHBondContact O-CB 3.43Å; N269-L272 PolarHBondContact O-N 3.47Å; V270-L272 VanDerWaalsContact C-N 3.29Å; V270-L272 PolarHBondContact O-N 3.3Å; L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 PolarHBondContact O-N 3.27Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-N 2.92Å; L272-T275 VanDerWaalsContact O-N 3.14Å; L272-T275 PolarHBondContact O-OG1 3.09Å; L272-S276 WeakPolarHBondContact O-CB 3.35Å; L272-S276 PolarHBondContact O-N 3.49Å; L272-S276 PolarHBondContact O-OG 3.15Å
273	V	82.5	Confident	82.4	Confident	20 Å²	20	43.3 Å²	43.3	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-38.7	176.8	173.6	0	0	0	0	111.9	L236 N269 V270 S276 W277	L236-V273 HydrophobicContact CD1-CB 4.44Å; L236-V273 HydrophobicContact CD1-CG2 4.06Å; L236-V273 HydrophobicContact CG-CG2 4.46Å; N269-V273 WeakPolarHBondContact O-CG2 3.46Å; N269-V273 PolarHBondContact O-N 3.22Å; V270-V273 PolarHBondContact O-N 2.86Å; V273-S276 VanDerWaalsContact CA-OG 3.3Å; V273-S276 WeakPolarHBondContact CA-OG 3.43Å; V273-S276 PolarHBondContact O-OG 2.7Å; V273-W277 VanDerWaalsContact O-CB 3.25Å; V273-W277 WeakPolarHBondContact O-CB 3.42Å; V273-W277 PolarHBondContact O-N 3.13Å
274	I	84.9	Confident	81.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-47.9	175.2	-68	167.5	0	0	0	110.9	V270 S271 L272 R278 I293 I335 V338 L339	V270-I274 HydrophobicContact CG1-CD1 3.97Å; V270-I274 VanDerWaalsContact O-CG1 3.31Å; V270-I274 WeakPolarHBondContact O-CG1 3.34Å; V270-I274 PolarHBondContact O-N 3.2Å; S271-I274 PolarHBondContact O-N 2.68Å; L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 PolarHBondContact O-N 3.27Å; I274-R278 PolarHBondContact O-N 3.41Å; I274-R278 VanDerWaalsContact O-N 3.07Å; I274-I293 HydrophobicContact CD1-CD1 3.79Å; I274-I293 HydrophobicContact CD1-CG2 4.43Å; I274-I293 HydrophobicContact CG1-CD1 3.23Å; I274-I335 HydrophobicContact CD1-CG2 3.44Å; I274-I335 VanDerWaalsContact CD1-CG2 3.44Å; I274-V338 HydrophobicContact CG2-CB 4.37Å; I274-V338 HydrophobicContact CG2-CG1 3.56Å; I274-L339 HydrophobicContact CD1-CB 4.29Å; I274-L339 HydrophobicContact CD1-CD2 4.29Å; I274-L339 HydrophobicContact CG1-CD2 4.23Å; I274-L339 HydrophobicContact CG2-CB 3.85Å; I274-L339 HydrophobicContact CG2-CD2 4.45Å
275	T	84.3	Confident	81.4	Confident	66 Å²	66	50.1 Å²	50.1	41%	0.405	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-39.1	-177.3	52.7	0	0	0	0	112.4	S271 L272 R278 S279 V338	S271-T275 WeakPolarHBondContact O-CG2 3.28Å; S271-T275 PolarHBondContact O-N 3.29Å; S271-T275 PolarHBondContact O-OG1 3.19Å; S271-T275 VanDerWaalsContact O-OG1 3.09Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-N 2.92Å; L272-T275 VanDerWaalsContact O-N 3.14Å; L272-T275 PolarHBondContact O-OG1 3.09Å; T275-R278 PolarHBondContact O-N 2.97Å; T275-S279 WeakPolarHBondContact O-CB 3.47Å; T275-S279 PolarHBondContact O-N 3.43Å; T275-V338 HydrophobicContact CG2-CG1 4.44Å
276	S	80.1	Confident	81.2	Confident	15 Å²	15	49 Å²	49	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-45.8	175.4	54.9	0	0	0	0	111.5	Y228 L272 V273 R278 S279 I280	Y228-S276 WeakPolarHBondContact OH-CB 3.37Å; Y228-S276 PolarHBondContact OH-OG 2.94Å; L272-S276 WeakPolarHBondContact O-CB 3.35Å; L272-S276 PolarHBondContact O-N 3.49Å; L272-S276 PolarHBondContact O-OG 3.15Å; V273-S276 VanDerWaalsContact CA-OG 3.3Å; V273-S276 WeakPolarHBondContact CA-OG 3.43Å; V273-S276 PolarHBondContact O-OG 2.7Å; S276-R278 VanDerWaalsContact C-N 3.32Å; S276-R278 PolarHBondContact O-N 3.44Å; S276-S279 PolarHBondContact O-N 3.41Å; S276-I280 WeakPolarHBondContact O-CB 3.49Å; S276-I280 VanDerWaalsContact O-CG1 3.28Å; S276-I280 WeakPolarHBondContact O-CG1 3.4Å; S276-I280 PolarHBondContact O-N 3.07Å
277	W	79.1	Confident	80.9	Confident	5 Å²	5	53 Å²	53	2%	0.019	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-49.5	176.6	-179.7	-84.4	0	0	0	111.1	A225 Y228 L229 V273 I280 F281 V284 L289	A225-W277 HydrophobicContact CB-CH2 3.62Å; A225-W277 HydrophobicContact CB-CZ2 4.21Å; A225-W277 HydrophobicContact CB-CZ3 4.28Å; A225-W277 WeakPolarHBondContact O-CH2 3.16Å; A225-W277 WeakPolarHBondContact O-CZ3 3.42Å; Y228-W277 AromaticContact CD1-CE3 3.63Å; Y228-W277 HydrophobicContact CD1-CE3 3.63Å; Y228-W277 AromaticContact CD1-CZ3 3.87Å; Y228-W277 HydrophobicContact CD1-CZ3 3.87Å; Y228-W277 HydrophobicContact CE1-CE3 4.02Å; L229-W277 HydrophobicContact CB-CH2 4.06Å; L229-W277 HydrophobicContact CB-CZ3 3.65Å; L229-W277 HydrophobicContact CD1-CE3 4.07Å; L229-W277 HydrophobicContact CD1-CH2 3.47Å; L229-W277 VanDerWaalsContact CD1-CH2 3.47Å; L229-W277 HydrophobicContact CD1-CZ2 4.02Å; L229-W277 HydrophobicContact CD1-CZ3 3.54Å; L229-W277 HydrophobicContact CG-CH2 4.36Å; L229-W277 HydrophobicContact CG-CZ3 4.08Å; V273-W277 VanDerWaalsContact O-CB 3.25Å; V273-W277 WeakPolarHBondContact O-CB 3.42Å; V273-W277 PolarHBondContact O-N 3.13Å; W277-I280 PolarHBondContact O-N 3.39Å; W277-F281 HydrophobicContact CD2-CB 4.4Å; W277-F281 AromaticContact CD2-CD2 3.74Å; W277-F281 HydrophobicContact CD2-CD2 3.74Å; W277-F281 HydrophobicContact CD2-CE2 4.5Å; W277-F281 HydrophobicContact CD2-CG 4.44Å; W277-F281 AromaticContact CE3-CD2 3.62Å; W277-F281 HydrophobicContact CE3-CD2 3.62Å; W277-F281 AromaticContact CE3-CE2 3.94Å; W277-F281 HydrophobicContact CE3-CE2 3.94Å; W277-F281 HydrophobicContact CG-CD2 4.22Å; W277-F281 HydrophobicContact CH2-CD2 4.44Å; W277-F281 HydrophobicContact CZ2-CB 4.48Å; W277-F281 AromaticContact CZ3-CD2 3.95Å; W277-F281 HydrophobicContact CZ3-CD2 3.95Å; W277-F281 HydrophobicContact CZ3-CE2 4.07Å; W277-F281 WeakPolarHBondContact O-CA 3.49Å; W277-F281 WeakPolarHBondContact O-CB 3.47Å; W277-F281 PolarHBondContact O-N 2.95Å; W277-V284 HydrophobicContact CZ2-CG1 4.21Å; W277-L289 HydrophobicContact CB-CD1 4.42Å; W277-L289 HydrophobicContact CB-CD2 4.07Å; W277-L289 VanDerWaalsContact CD1-CD2 3.4Å; W277-L289 HydrophobicContact CD2-CD1 4.16Å; W277-L289 HydrophobicContact CD2-CD2 4.29Å; W277-L289 HydrophobicContact CE3-CD1 4.48Å; W277-L289 HydrophobicContact CG-CD1 4.13Å; W277-L289 HydrophobicContact CG-CD2 3.64Å; W277-L289 HydrophobicContact CG-CG 4.4Å
278	R	80.6	Confident	80.6	Confident	64 Å²	64	57.3 Å²	57.3	24%	0.242	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-45	179.1	-77.3	-175.7	166.3	-173.3	2.5	112	I274 T275 S276 I280 N282 V338	I274-R278 PolarHBondContact O-N 3.41Å; I274-R278 VanDerWaalsContact O-N 3.07Å; T275-R278 PolarHBondContact O-N 2.97Å; S276-R278 VanDerWaalsContact C-N 3.32Å; S276-R278 PolarHBondContact O-N 3.44Å; R278-I280 PolarHBondContact O-N 3.36Å; R278-N282 PolarHBondContact O-N 3.38Å; R278-N282 PolarHBondContact O-ND2 3.27Å; R278-N282 PolarHBondContact O-OD1 3.32Å; R278-V338 PolarHBondContact NH1-O 2.99Å; R278-V338 PolarHBondContact NH2-O 3.22Å
279	S	80.1	Confident	80.4	Confident	91 Å²	91	55.8 Å²	55.8	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-59.2	-37.8	179.4	-172.3	0	0	0	0	112.5	T275 S276	T275-S279 WeakPolarHBondContact O-CB 3.47Å; T275-S279 PolarHBondContact O-N 3.43Å; S276-S279 PolarHBondContact O-N 3.41Å
280	I	75.7	Confident	80.5	Confident	26 Å²	26	55.6 Å²	55.6	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-92	-40	-171.9	-64.1	175.3	0	0	0	112.1	L208 V211 E212 I215 S276 W277 R278	L208-I280 HydrophobicContact CD1-CD1 3.62Å; L208-I280 HydrophobicContact CG-CD1 4.29Å; V211-I280 HydrophobicContact CG1-CD1 4.27Å; V211-I280 HydrophobicContact CG1-CG2 3.88Å; E212-I280 HydrophobicContact CG-CD1 4.34Å; I215-I280 HydrophobicContact CD1-CG2 3.21Å; S276-I280 WeakPolarHBondContact O-CB 3.49Å; S276-I280 VanDerWaalsContact O-CG1 3.28Å; S276-I280 WeakPolarHBondContact O-CG1 3.4Å; S276-I280 PolarHBondContact O-N 3.07Å; W277-I280 PolarHBondContact O-N 3.39Å; R278-I280 PolarHBondContact O-N 3.36Å
281	F	78.6	Confident	80.5	Confident	1 Å²	1	59 Å²	59	0%	0.004	33%	0.326	C	S	.	.			trans	-118.1	44.4	-169.9	-53.4	-72.5	0	0	0	112.2	V211 P221 L224 A225 Y228 W277 D283 V284	V211-F281 HydrophobicContact CG1-CE2 4.48Å; V211-F281 HydrophobicContact CG1-CZ 3.82Å; P221-F281 HydrophobicContact CB-CD1 3.7Å; P221-F281 HydrophobicContact CB-CE1 3.97Å; P221-F281 WeakPolarHBondContact O-CD1 3.33Å; P221-F281 WeakPolarHBondContact O-CE1 3.4Å; L224-F281 HydrophobicContact CB-CE1 4.32Å; L224-F281 HydrophobicContact CB-CZ 4.41Å; A225-F281 HydrophobicContact CB-CD1 3.97Å; A225-F281 HydrophobicContact CB-CE1 4.01Å; A225-F281 HydrophobicContact CB-CG 4.4Å; A225-F281 HydrophobicContact CB-CZ 4.46Å; Y228-F281 AromaticContact CD1-CE2 3.72Å; Y228-F281 HydrophobicContact CD1-CE2 3.72Å; Y228-F281 HydrophobicContact CE1-CE2 4.32Å; Y228-F281 HydrophobicContact CG-CE2 4.04Å; Y228-F281 HydrophobicContact CG-CZ 4.42Å; W277-F281 HydrophobicContact CD2-CB 4.4Å; W277-F281 AromaticContact CD2-CD2 3.74Å; W277-F281 HydrophobicContact CD2-CD2 3.74Å; W277-F281 HydrophobicContact CD2-CE2 4.5Å; W277-F281 HydrophobicContact CD2-CG 4.44Å; W277-F281 AromaticContact CE3-CD2 3.62Å; W277-F281 HydrophobicContact CE3-CD2 3.62Å; W277-F281 AromaticContact CE3-CE2 3.94Å; W277-F281 HydrophobicContact CE3-CE2 3.94Å; W277-F281 HydrophobicContact CG-CD2 4.22Å; W277-F281 HydrophobicContact CH2-CD2 4.44Å; W277-F281 HydrophobicContact CZ2-CB 4.48Å; W277-F281 AromaticContact CZ3-CD2 3.95Å; W277-F281 HydrophobicContact CZ3-CD2 3.95Å; W277-F281 HydrophobicContact CZ3-CE2 4.07Å; W277-F281 WeakPolarHBondContact O-CA 3.49Å; W277-F281 WeakPolarHBondContact O-CB 3.47Å; W277-F281 PolarHBondContact O-N 2.95Å; F281-D283 PolarHBondContact O-N 2.88Å; F281-D283 VanDerWaalsContact O-N 3.08Å; F281-V284 HydrophobicContact CB-CB 4.12Å; F281-V284 HydrophobicContact CB-CG2 3.92Å; F281-V284 HydrophobicContact CD1-CG2 4.32Å; F281-V284 PolarHBondContact O-N 3.01Å; F281-V284 VanDerWaalsContact O-N 3.12Å
282	N	73.8	Confident	80.5	Confident	113 Å²	113	59.6 Å²	59.6	60%	0.604	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.4	179.7	-84.2	-46.9	0	0	0	113.8	R278	R278-N282 PolarHBondContact O-N 3.38Å; R278-N282 PolarHBondContact O-ND2 3.27Å; R278-N282 PolarHBondContact O-OD1 3.32Å
283	D	70.1	Confident	80.6	Confident	167 Å²	167	54.4 Å²	54.4	89%	0.893	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.9	-175.3	-62	-37.8	0	0	0	114.3	F281	F281-D283 PolarHBondContact O-N 2.88Å; F281-D283 VanDerWaalsContact O-N 3.08Å
284	V	73.4	Confident	81	Confident	40 Å²	40	53.5 Å²	53.5	24%	0.242	29%	0.293	C	S	.	.	S	Bend	trans	-94.4	139.7	-177.9	-177.4	0	0	0	0	110.7	A225 W277 F281 Q286	A225-V284 HydrophobicContact CB-CG1 4.3Å; A225-V284 HydrophobicContact CB-CG2 4.39Å; W277-V284 HydrophobicContact CZ2-CG1 4.21Å; F281-V284 HydrophobicContact CB-CB 4.12Å; F281-V284 HydrophobicContact CB-CG2 3.92Å; F281-V284 HydrophobicContact CD1-CG2 4.32Å; F281-V284 PolarHBondContact O-N 3.01Å; F281-V284 VanDerWaalsContact O-N 3.12Å; V284-Q286 PolarHBondContact O-N 3.49Å; V284-Q286 VanDerWaalsContact O-N 3.15Å
285	D	76.6	Confident	81.2	Confident	138 Å²	138	57.9 Å²	57.9	74%	0.738	31%	0.313	S	S	*	.			trans	-55	118.3	176.3	-83	-27.3	0	0	0	111.4	S287	D285-S287 PolarHBondContact O-N 3.46Å
286	Q	80.7	Confident	81.4	Confident	55 Å²	55	54.8 Å²	54.8	26%	0.257	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	0.1	-176.2	-61.6	-177.4	1.7	0	0	113.2	V284 E288 L289 I290	V284-Q286 PolarHBondContact O-N 3.49Å; V284-Q286 VanDerWaalsContact O-N 3.15Å; Q286-E288 PolarHBondContact O-N 3.21Å; Q286-L289 PolarHBondContact O-N 3.35Å; Q286-I290 HydrophobicContact CB-CD1 4.2Å; Q286-I290 VanDerWaalsContact O-CG1 3.25Å; Q286-I290 WeakPolarHBondContact O-CG1 3.39Å; Q286-I290 PolarHBondContact O-N 3.01Å
287	S	80.7	Confident	81.9	Confident	87 Å²	87	54 Å²	54	61%	0.608	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-40.7	-173.3	-55	0	0	0	0	113.2	D285 I290 D291	D285-S287 PolarHBondContact O-N 3.46Å; S287-I290 PolarHBondContact O-N 3.43Å; S287-D291 PolarHBondContact O-N 3.16Å
288	E	81.8	Confident	82.5	Confident	97 Å²	97	56.5 Å²	56.5	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-68.1	-42.1	177.6	-174.7	175.6	-178.2	0	0	111.5	L229 Q286 I290 D291 Q292	L229-E288 HydrophobicContact CD2-CG 4.38Å; Q286-E288 PolarHBondContact O-N 3.21Å; E288-I290 PolarHBondContact O-N 2.94Å; E288-D291 PolarHBondContact O-N 2.73Å; E288-Q292 PolarHBondContact O-N 3.42Å; E288-Q292 PolarHBondContact OE1-NE2 2.89Å
289	L	83.9	Confident	82.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-48.8	174.1	-178.4	73.3	0	0	0	111	L229 F233 W277 Q286 D291 Q292 I293 L339	L229-L289 HydrophobicContact CD1-CB 4.09Å; L229-L289 HydrophobicContact CD1-CD1 3.9Å; F233-L289 HydrophobicContact CE2-CD1 4.45Å; W277-L289 HydrophobicContact CB-CD1 4.42Å; W277-L289 HydrophobicContact CB-CD2 4.07Å; W277-L289 VanDerWaalsContact CD1-CD2 3.4Å; W277-L289 HydrophobicContact CD2-CD1 4.16Å; W277-L289 HydrophobicContact CD2-CD2 4.29Å; W277-L289 HydrophobicContact CE3-CD1 4.48Å; W277-L289 HydrophobicContact CG-CD1 4.13Å; W277-L289 HydrophobicContact CG-CD2 3.64Å; W277-L289 HydrophobicContact CG-CG 4.4Å; Q286-L289 PolarHBondContact O-N 3.35Å; L289-D291 VanDerWaalsContact C-N 3.3Å; L289-D291 PolarHBondContact O-N 3.37Å; L289-Q292 PolarHBondContact O-N 3.44Å; L289-I293 HydrophobicContact CD1-CD1 3.63Å; L289-I293 HydrophobicContact CD1-CG1 4.03Å; L289-I293 HydrophobicContact CD2-CD1 4.44Å; L289-I293 HydrophobicContact CG-CD1 3.83Å; L289-I293 HydrophobicContact CG-CG1 4.3Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.31Å; L289-I293 PolarHBondContact O-N 2.87Å; L289-L339 HydrophobicContact CD2-CD1 4.43Å; L289-L339 HydrophobicContact CD2-CD2 4.04Å; L289-L339 HydrophobicContact CG-CD2 4.24Å
290	I	86.4	Confident	83.3	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.185	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-41.6	179.9	-68.6	164.3	0	0	0	110.7	Q286 S287 E288 S294 L339 K342	Q286-I290 HydrophobicContact CB-CD1 4.2Å; Q286-I290 VanDerWaalsContact O-CG1 3.25Å; Q286-I290 WeakPolarHBondContact O-CG1 3.39Å; Q286-I290 PolarHBondContact O-N 3.01Å; S287-I290 PolarHBondContact O-N 3.43Å; E288-I290 PolarHBondContact O-N 2.94Å; I290-S294 WeakPolarHBondContact O-CB 3.27Å; I290-S294 PolarHBondContact O-N 3.04Å; I290-S294 PolarHBondContact O-OG 3Å; I290-L339 HydrophobicContact CD1-CD1 4.26Å; I290-L339 HydrophobicContact CG1-CD1 3.8Å; I290-L339 HydrophobicContact CG1-CD2 4.05Å; I290-L339 HydrophobicContact CG1-CG 4Å; I290-K342 HydrophobicContact CG2-CG 4.13Å
291	D	86.2	Confident	84	Confident	71 Å²	71	51.5 Å²	51.5	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-52.9	179.7	-168.9	36.7	0	0	0	112.1	S287 E288 L289 S294 Q295 K342	S287-D291 PolarHBondContact O-N 3.16Å; E288-D291 PolarHBondContact O-N 2.73Å; L289-D291 VanDerWaalsContact C-N 3.3Å; L289-D291 PolarHBondContact O-N 3.37Å; D291-S294 PolarHBondContact O-N 3.45Å; D291-Q295 PolarHBondContact O-N 2.77Å; D291-K342 WeakPolarHBondContact OD1-CE 3.3Å; D291-K342 IonicContact OD1-NZ 3.92Å; D291-K342 PolarHBondContact OD1-NZ 2.9Å
292	Q	85.6	Confident	84.5	Confident	50 Å²	50	54.2 Å²	54.2	23%	0.234	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-39	-176.8	-65.8	-165.3	33	0	0	112.4	L229 F233 E288 L289 Q295 L296	L229-Q292 HydrophobicContact CD2-CB 4.42Å; L229-Q292 HydrophobicContact CD2-CG 4.17Å; F233-Q292 HydrophobicContact CD1-CB 4.33Å; F233-Q292 HydrophobicContact CD2-CB 4.15Å; F233-Q292 VanDerWaalsContact CE1-C 3.44Å; F233-Q292 HydrophobicContact CE1-CB 3.7Å; F233-Q292 WeakPolarHBondContact CE1-O 3.18Å; F233-Q292 HydrophobicContact CE2-CB 3.53Å; F233-Q292 HydrophobicContact CE2-CG 4.48Å; F233-Q292 VanDerWaalsContact CZ-C 3.43Å; F233-Q292 HydrophobicContact CZ-CB 3.24Å; E288-Q292 PolarHBondContact O-N 3.42Å; E288-Q292 PolarHBondContact OE1-NE2 2.89Å; L289-Q292 PolarHBondContact O-N 3.44Å; Q292-Q295 PolarHBondContact O-N 2.93Å; Q292-L296 WeakPolarHBondContact O-CB 3.34Å; Q292-L296 PolarHBondContact O-N 2.86Å
293	I	88.3	Confident	85.1	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-43.3	176	-67.4	-169.7	0	0	0	109.9	F233 V270 I274 L289 Q295 L296 L297 L339 L341	F233-I293 HydrophobicContact CE1-CG1 4.04Å; F233-I293 HydrophobicContact CE2-CG1 4.35Å; F233-I293 HydrophobicContact CZ-CB 4.25Å; F233-I293 HydrophobicContact CZ-CG1 3.4Å; F233-I293 VanDerWaalsContact CZ-N 3.33Å; V270-I293 HydrophobicContact CG1-CG2 4.05Å; I274-I293 HydrophobicContact CD1-CD1 3.79Å; I274-I293 HydrophobicContact CD1-CG2 4.43Å; I274-I293 HydrophobicContact CG1-CD1 3.23Å; L289-I293 HydrophobicContact CD1-CD1 3.63Å; L289-I293 HydrophobicContact CD1-CG1 4.03Å; L289-I293 HydrophobicContact CD2-CD1 4.44Å; L289-I293 HydrophobicContact CG-CD1 3.83Å; L289-I293 HydrophobicContact CG-CG1 4.3Å; L289-I293 WeakPolarHBondContact O-CB 3.48Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.31Å; L289-I293 PolarHBondContact O-N 2.87Å; I293-Q295 VanDerWaalsContact C-N 3.31Å; I293-Q295 PolarHBondContact O-N 3.43Å; I293-L296 PolarHBondContact O-N 2.93Å; I293-L297 HydrophobicContact CG2-CD1 3.71Å; I293-L297 HydrophobicContact CG2-CG 4.14Å; I293-L297 WeakPolarHBondContact O-CB 3.43Å; I293-L297 WeakPolarHBondContact O-CG 3.37Å; I293-L297 PolarHBondContact O-N 3.42Å; I293-L339 HydrophobicContact CD1-CD2 3.96Å; I293-L341 HydrophobicContact CB-CD2 4.39Å; I293-L341 HydrophobicContact CG2-CD2 3.75Å
294	S	90.2	Very high	85.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-43.3	178.7	-61.9	0	0	0	0	111	I290 D291 L297 I298 K342	I290-S294 WeakPolarHBondContact O-CB 3.27Å; I290-S294 PolarHBondContact O-N 3.04Å; I290-S294 PolarHBondContact O-OG 3Å; D291-S294 PolarHBondContact O-N 3.45Å; S294-L297 PolarHBondContact O-N 3.15Å; S294-I298 WeakPolarHBondContact O-CD1 3.03Å; S294-I298 WeakPolarHBondContact O-CG1 3.38Å; S294-I298 PolarHBondContact O-N 2.98Å; S294-K342 PolarHBondContact OG-N 3.32Å
295	Q	90	Very high	86.6	Confident	92 Å²	92	43.1 Å²	43.1	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-47	177.2	-175	176.1	-7.2	0	0	112.1	D291 Q292 I293 L297 I298 E299	D291-Q295 PolarHBondContact O-N 2.77Å; Q292-Q295 PolarHBondContact O-N 2.93Å; I293-Q295 VanDerWaalsContact C-N 3.31Å; I293-Q295 PolarHBondContact O-N 3.43Å; Q295-L297 VanDerWaalsContact C-N 3.33Å; Q295-L297 PolarHBondContact O-N 3.49Å; Q295-I298 PolarHBondContact O-N 3.34Å; Q295-E299 PolarHBondContact NE2-OE1 3.02Å; Q295-E299 VanDerWaalsContact NE2-OE1 3.16Å; Q295-E299 WeakPolarHBondContact O-CG 3.3Å; Q295-E299 PolarHBondContact O-N 2.98Å
296	L	87.8	Confident	87	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-43.3	177.7	-176.9	76.5	0	0	0	111.8	F233 L236 R237 L240 F266 V270 Q292 I293 I298 E299 Y300	F233-L296 HydrophobicContact CD1-CD2 4.12Å; F233-L296 HydrophobicContact CE1-CB 4.15Å; F233-L296 HydrophobicContact CE1-CD2 4.05Å; L236-L296 HydrophobicContact CB-CD2 3.81Å; L236-L296 HydrophobicContact CD1-CD2 3.78Å; L236-L296 HydrophobicContact CG-CD2 4.4Å; R237-L296 HydrophobicContact CG-CD1 3.85Å; L240-L296 HydrophobicContact CD2-CD1 4.25Å; F266-L296 HydrophobicContact CZ-CD2 4.01Å; F266-L296 HydrophobicContact CZ-CG 4.12Å; V270-L296 HydrophobicContact CG2-CD2 4.39Å; Q292-L296 WeakPolarHBondContact O-CB 3.34Å; Q292-L296 PolarHBondContact O-N 2.86Å; I293-L296 PolarHBondContact O-N 2.93Å; L296-I298 VanDerWaalsContact C-N 3.34Å; L296-I298 PolarHBondContact O-N 2.88Å; L296-E299 PolarHBondContact O-N 3.11Å; L296-Y300 WeakPolarHBondContact O-CB 3.43Å; L296-Y300 PolarHBondContact O-N 3.29Å
297	L	90.7	Very high	87	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-35.5	178	-72.8	175.1	0	0	0	112.1	L267 V270 I293 S294 Q295 Y300 I301 L332 L341 V345	L267-L297 HydrophobicContact CD2-CD2 3.88Å; V270-L297 HydrophobicContact CG1-CD2 4.44Å; V270-L297 HydrophobicContact CG2-CD2 4.49Å; I293-L297 HydrophobicContact CG2-CD1 3.71Å; I293-L297 HydrophobicContact CG2-CG 4.14Å; I293-L297 WeakPolarHBondContact O-CB 3.43Å; I293-L297 WeakPolarHBondContact O-CG 3.37Å; I293-L297 PolarHBondContact O-N 3.42Å; S294-L297 PolarHBondContact O-N 3.15Å; Q295-L297 VanDerWaalsContact C-N 3.33Å; Q295-L297 PolarHBondContact O-N 3.49Å; L297-Y300 PolarHBondContact O-N 3.29Å; L297-I301 WeakPolarHBondContact O-CB 3.29Å; L297-I301 WeakPolarHBondContact O-CD1 3.22Å; L297-I301 WeakPolarHBondContact O-CG1 3.15Å; L297-I301 PolarHBondContact O-N 3.1Å; L297-L332 HydrophobicContact CD1-CD1 4.24Å; L297-L332 HydrophobicContact CD2-CD1 4.44Å; L297-L341 HydrophobicContact CD1-CD1 3.45Å; L297-L341 VanDerWaalsContact CD1-CD1 3.45Å; L297-L341 HydrophobicContact CD1-CD2 4.42Å; L297-V345 HydrophobicContact CB-CG1 4.1Å; L297-V345 HydrophobicContact CD1-CG1 4.27Å
298	I	91	Very high	87.2	Confident	56 Å²	56	38.2 Å²	38.2	29%	0.287	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-45.1	174.2	-70.1	161.8	0	0	0	110.5	S294 Q295 L296 Y300 I301 A302 Q344 V345 A348	S294-I298 WeakPolarHBondContact O-CD1 3.03Å; S294-I298 WeakPolarHBondContact O-CG1 3.38Å; S294-I298 PolarHBondContact O-N 2.98Å; Q295-I298 PolarHBondContact O-N 3.34Å; L296-I298 VanDerWaalsContact C-N 3.34Å; L296-I298 PolarHBondContact O-N 2.88Å; I298-Y300 VanDerWaalsContact C-N 3.33Å; I298-Y300 PolarHBondContact O-N 2.71Å; I298-I301 PolarHBondContact O-N 2.64Å; I298-A302 PolarHBondContact O-N 2.79Å; I298-Q344 HydrophobicContact CD1-CB 3.83Å; I298-V345 HydrophobicContact CD1-CG2 4.41Å; I298-V345 HydrophobicContact CG1-CG2 4.2Å; I298-A348 HydrophobicContact CG1-CB 4.43Å
299	E	88.8	Confident	87.1	Confident	71 Å²	71	35.7 Å²	35.7	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-43.1	175.4	-70.6	172	-164.4	0	0	111	L240 Q295 L296 A302 H303	L240-E299 HydrophobicContact CD2-CB 4.47Å; Q295-E299 PolarHBondContact NE2-OE1 3.02Å; Q295-E299 VanDerWaalsContact NE2-OE1 3.16Å; Q295-E299 WeakPolarHBondContact O-CG 3.3Å; Q295-E299 PolarHBondContact O-N 2.98Å; L296-E299 PolarHBondContact O-N 3.11Å; E299-A302 WeakPolarHBondContact O-CB 3.49Å; E299-A302 PolarHBondContact O-N 3.47Å; E299-H303 PolarHBondContact O-N 3.43Å
300	Y	88.8	Confident	86.9	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-41.3	176.6	-177.9	-118.5	0	0	0	113.5	L240 C263 F266 L267 L296 L297 I298 A302 H303 C304 F328	L240-Y300 HydrophobicContact CD1-CD2 3.45Å; L240-Y300 VanDerWaalsContact CD1-CD2 3.45Å; L240-Y300 HydrophobicContact CD1-CE2 4.23Å; L240-Y300 HydrophobicContact CD1-CG 4.34Å; C263-Y300 VanDerWaalsContact CA-OH 3.22Å; C263-Y300 WeakPolarHBondContact CA-OH 3.3Å; C263-Y300 PolarHBondContact SG-OH 2.96Å; F266-Y300 HydrophobicContact CB-CE2 4.37Å; F266-Y300 AromaticContact CD1-CD1 3.52Å; F266-Y300 HydrophobicContact CD1-CD1 3.52Å; F266-Y300 AromaticContact CD1-CD2 3.77Å; F266-Y300 HydrophobicContact CD1-CD2 3.77Å; F266-Y300 AromaticContact CD1-CE1 3.51Å; F266-Y300 HydrophobicContact CD1-CE1 3.51Å; F266-Y300 AromaticContact CD1-CE2 3.74Å; F266-Y300 HydrophobicContact CD1-CE2 3.74Å; F266-Y300 AromaticContact CD1-CG 3.64Å; F266-Y300 HydrophobicContact CD1-CG 3.64Å; F266-Y300 AromaticContact CD1-CZ 3.62Å; F266-Y300 AromaticContact CE1-CD1 3.55Å; F266-Y300 HydrophobicContact CE1-CD1 3.55Å; F266-Y300 AromaticContact CE1-CD2 3.71Å; F266-Y300 HydrophobicContact CE1-CD2 3.71Å; F266-Y300 HydrophobicContact CE1-CE1 4.06Å; F266-Y300 HydrophobicContact CE1-CE2 4.18Å; F266-Y300 AromaticContact CE1-CG 3.34Å; F266-Y300 HydrophobicContact CE1-CG 3.34Å; F266-Y300 HydrophobicContact CG-CD2 4.32Å; F266-Y300 HydrophobicContact CG-CE1 4.37Å; F266-Y300 HydrophobicContact CG-CE2 4.01Å; F266-Y300 HydrophobicContact CZ-CD2 4.21Å; F266-Y300 HydrophobicContact CZ-CG 4.11Å; L267-Y300 HydrophobicContact CD2-CD1 4.25Å; L267-Y300 HydrophobicContact CD2-CE1 4.11Å; L267-Y300 HydrophobicContact CG-CE1 4.3Å; L296-Y300 WeakPolarHBondContact O-CB 3.43Å; L296-Y300 PolarHBondContact O-N 3.29Å; L297-Y300 PolarHBondContact O-N 3.29Å; I298-Y300 VanDerWaalsContact C-N 3.33Å; I298-Y300 PolarHBondContact O-N 2.71Å; Y300-A302 VanDerWaalsContact C-N 3.3Å; Y300-A302 PolarHBondContact O-N 3.49Å; Y300-H303 WeakPolarHBondContact O-CB 3.34Å; Y300-H303 PolarHBondContact O-N 3.45Å; Y300-C304 VanDerWaalsContact CE1-SG 3.59Å; Y300-C304 VanDerWaalsContact CZ-SG 3.5Å; Y300-C304 PolarHBondContact O-N 2.77Å; Y300-C304 PolarHBondContact O-SG 2.78Å; Y300-F328 HydrophobicContact CE1-CE2 4.01Å
301	I	91.2	Very high	85.9	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-40.7	175.4	-72.2	162.5	0	0	0	109.8	L297 I298 H303 C304 K305 F328 L332 V345 A348 A349 L352	L297-I301 WeakPolarHBondContact O-CB 3.29Å; L297-I301 WeakPolarHBondContact O-CD1 3.22Å; L297-I301 WeakPolarHBondContact O-CG1 3.15Å; L297-I301 PolarHBondContact O-N 3.1Å; I298-I301 PolarHBondContact O-N 2.64Å; I301-H303 VanDerWaalsContact C-N 3.33Å; I301-H303 PolarHBondContact O-N 2.85Å; I301-C304 PolarHBondContact O-N 2.94Å; I301-K305 WeakPolarHBondContact O-CB 3.45Å; I301-K305 PolarHBondContact O-N 3.34Å; I301-F328 HydrophobicContact CG1-CE1 4.46Å; I301-F328 HydrophobicContact CG1-CZ 4.06Å; I301-L332 HydrophobicContact CD1-CD2 4.15Å; I301-V345 HydrophobicContact CD1-CG1 3.96Å; I301-A348 HydrophobicContact CD1-CB 4.18Å; I301-A348 HydrophobicContact CG2-CB 3.99Å; I301-A348 WeakPolarHBondContact CG2-O 3.45Å; I301-A349 HydrophobicContact CD1-CB 4.19Å; I301-L352 HydrophobicContact CG2-CB 4.01Å; I301-L352 HydrophobicContact CG2-CD1 3.89Å; I301-L352 WeakPolarHBondContact O-CD1 3.45Å
302	A	89.3	Confident	84.9	Confident	57 Å²	57	44.9 Å²	44.9	47%	0.471	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-42.3	175.1	0	0	0	0	0	111.8	I298 E299 Y300 K305 E306	I298-A302 PolarHBondContact O-N 2.79Å; E299-A302 WeakPolarHBondContact O-CB 3.49Å; E299-A302 PolarHBondContact O-N 3.47Å; Y300-A302 VanDerWaalsContact C-N 3.3Å; Y300-A302 PolarHBondContact O-N 3.49Å; A302-K305 WeakPolarHBondContact O-CB 3.34Å; A302-K305 PolarHBondContact O-N 3.36Å; A302-E306 PolarHBondContact O-N 2.93Å; A302-E306 VanDerWaalsContact O-N 3.13Å
303	H	85.7	Confident	83.9	Confident	26 Å²	26	42.9 Å²	42.9	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-47.1	173.7	-176	58	0	0	0	112.2	D247 E299 Y300 I301 K305 E306 K307	D247-H303 IonicContact OD2-CE1 2.69Å; D247-H303 IonicContact OD2-NE2 2.78Å; D247-H303 PolarHBondContact OD2-NE2 3.12Å; E299-H303 PolarHBondContact O-N 3.43Å; Y300-H303 WeakPolarHBondContact O-CB 3.34Å; Y300-H303 PolarHBondContact O-N 3.45Å; I301-H303 VanDerWaalsContact C-N 3.33Å; I301-H303 PolarHBondContact O-N 2.85Å; H303-K305 VanDerWaalsContact C-N 3.25Å; H303-K305 PolarHBondContact O-N 2.97Å; H303-E306 PolarHBondContact O-N 3Å; H303-K307 PolarHBondContact O-N 3.39Å
304	C	87.3	Confident	82.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-39.9	176.3	-68.6	0	0	0	0	111.4	Y300 I301 K307 F308 F328 L352	Y300-C304 VanDerWaalsContact CE1-SG 3.59Å; Y300-C304 VanDerWaalsContact CZ-SG 3.5Å; Y300-C304 PolarHBondContact O-N 2.77Å; Y300-C304 PolarHBondContact O-SG 2.78Å; I301-C304 PolarHBondContact O-N 2.94Å; C304-K307 PolarHBondContact O-N 2.94Å; C304-F308 HydrophobicContact CB-CD2 4.18Å; C304-F308 HydrophobicContact CB-CE2 3.97Å; C304-F308 WeakPolarHBondContact O-CB 3.12Å; C304-F308 WeakPolarHBondContact O-CD2 3.49Å; C304-F308 WeakPolarHBondContact O-CG 3.44Å; C304-F308 PolarHBondContact O-N 3.41Å; C304-F328 HydrophobicContact CB-CZ 4.48Å; C304-L352 HydrophobicContact CB-CD1 3.67Å
305	K	87.1	Confident	81.4	Confident	62 Å²	62	49.4 Å²	49.4	27%	0.27	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-46	177.3	-175.9	-177.2	178	-174.4	0	111.7	I301 A302 H303 K307 S309 E351 L352 S355	I301-K305 WeakPolarHBondContact O-CB 3.45Å; I301-K305 PolarHBondContact O-N 3.34Å; A302-K305 WeakPolarHBondContact O-CB 3.34Å; A302-K305 PolarHBondContact O-N 3.36Å; H303-K305 VanDerWaalsContact C-N 3.25Å; H303-K305 PolarHBondContact O-N 2.97Å; K305-K307 VanDerWaalsContact C-N 3.32Å; K305-K307 PolarHBondContact O-N 3.06Å; K305-S309 WeakPolarHBondContact O-CB 3.44Å; K305-S309 PolarHBondContact O-N 3.22Å; K305-S309 VanDerWaalsContact O-N 3.17Å; K305-S309 PolarHBondContact O-OG 2.92Å; K305-E351 IonicContact NZ-OE1 3.67Å; K305-E351 PolarHBondContact NZ-OE1 2.67Å; K305-L352 HydrophobicContact CB-CD1 4.02Å; K305-L352 HydrophobicContact CB-CG 4.2Å; K305-S355 VanDerWaalsContact CE-OG 3.29Å; K305-S355 WeakPolarHBondContact CE-OG 3.2Å
306	E	84.7	Confident	80.2	Confident	144 Å²	144	46.5 Å²	46.5	67%	0.673	25%	0.247	S	C	*	.	H	α-helix	trans	-61.5	-43.2	175.7	-173.7	171.6	-176.1	0	0	111.1	A302 H303 S309 T310	A302-E306 PolarHBondContact O-N 2.93Å; A302-E306 VanDerWaalsContact O-N 3.13Å; H303-E306 PolarHBondContact O-N 3Å; E306-S309 WeakPolarHBondContact O-CB 3.48Å; E306-S309 PolarHBondContact O-N 3.44Å; E306-T310 PolarHBondContact O-N 3.42Å; E306-T310 PolarHBondContact O-OG1 2.84Å
307	K	81.9	Confident	79.4	Confident	32 Å²	32	49.5 Å²	49.5	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-47.5	179.5	-154.2	-173.7	-176.9	164.9	0	113	D247 F258 H303 C304 K305 S309 T310 F313	D247-K307 IonicContact OD1-NZ 2.98Å; D247-K307 PolarHBondContact OD1-NZ 3.36Å; D247-K307 WeakPolarHBondContact OD2-CD 3.47Å; D247-K307 VanDerWaalsContact OD2-CE 3.26Å; D247-K307 WeakPolarHBondContact OD2-CE 3.36Å; D247-K307 IonicContact OD2-NZ 3.02Å; D247-K307 PolarHBondContact OD2-NZ 2.96Å; F258-K307 HydrophobicContact CD1-CD 4.22Å; F258-K307 HydrophobicContact CD2-CD 3.92Å; F258-K307 HydrophobicContact CE1-CD 3.77Å; F258-K307 HydrophobicContact CE2-CD 3.43Å; F258-K307 VanDerWaalsContact CE2-CD 3.43Å; F258-K307 HydrophobicContact CG-CD 4.29Å; F258-K307 HydrophobicContact CZ-CD 3.35Å; H303-K307 PolarHBondContact O-N 3.39Å; C304-K307 PolarHBondContact O-N 2.94Å; K305-K307 VanDerWaalsContact C-N 3.32Å; K305-K307 PolarHBondContact O-N 3.06Å; K307-S309 PolarHBondContact O-N 2.92Å; K307-S309 VanDerWaalsContact O-N 3.11Å; K307-T310 WeakPolarHBondContact O-CB 3.35Å; K307-T310 PolarHBondContact O-N 3.43Å; K307-T310 PolarHBondContact O-OG1 2.78Å; K307-T310 VanDerWaalsContact O-OG1 3.07Å; K307-F313 HydrophobicContact CB-CE2 4.5Å; K307-F313 HydrophobicContact CD-CE2 3.92Å; K307-F313 HydrophobicContact CD-CZ 4.42Å; K307-F313 HydrophobicContact CG-CD2 4.44Å; K307-F313 HydrophobicContact CG-CE2 3.74Å; K307-F313 VanDerWaalsContact O-CD2 3.22Å; K307-F313 WeakPolarHBondContact O-CD2 3.43Å
308	F	83.9	Confident	78.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-24.4	173.8	-75.2	-56.4	0	0	0	112.9	V255 F258 V259 C304 T310 F313 M321 L325 L352 T356	V255-F308 HydrophobicContact CG1-CD1 4.19Å; V255-F308 HydrophobicContact CG1-CE1 3.77Å; F258-F308 HydrophobicContact CD1-CE1 4.39Å; F258-F308 HydrophobicContact CD1-CZ 4.46Å; F258-F308 HydrophobicContact CE1-CZ 4.3Å; V259-F308 HydrophobicContact CG2-CE1 4.06Å; V259-F308 HydrophobicContact CG2-CZ 3.76Å; C304-F308 HydrophobicContact CB-CD2 4.18Å; C304-F308 HydrophobicContact CB-CE2 3.97Å; C304-F308 WeakPolarHBondContact O-CB 3.12Å; C304-F308 WeakPolarHBondContact O-CD2 3.49Å; C304-F308 WeakPolarHBondContact O-CG 3.44Å; C304-F308 PolarHBondContact O-N 3.41Å; F308-T310 VanDerWaalsContact C-N 3.31Å; F308-F313 HydrophobicContact CD1-CD2 4.32Å; F308-M321 HydrophobicContact CB-CE 4.15Å; F308-M321 HydrophobicContact CD1-CE 4.05Å; F308-M321 HydrophobicContact CD1-SD 4.02Å; F308-M321 WeakPolarHBondContact O-CE 3.46Å; F308-L325 HydrophobicContact CD2-CD2 4.26Å; F308-L325 HydrophobicContact CE2-CD2 4.16Å; F308-L325 HydrophobicContact CZ-CD2 4.3Å; F308-L352 HydrophobicContact CD2-CD1 4.05Å; F308-L352 HydrophobicContact CD2-CD2 4.02Å; F308-L352 HydrophobicContact CD2-CG 4.3Å; F308-L352 HydrophobicContact CE2-CD1 4.25Å; F308-L352 HydrophobicContact CE2-CD2 4.14Å; F308-T356 HydrophobicContact CB-CG2 4.32Å
309	S	79.6	Confident	78.6	Confident	45 Å²	45	52.2 Å²	52.2	32%	0.315	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.1	176.4	-53.2	0	0	0	0	114.1	K305 E306 K307 Q359	K305-S309 WeakPolarHBondContact O-CB 3.44Å; K305-S309 PolarHBondContact O-N 3.22Å; K305-S309 VanDerWaalsContact O-N 3.17Å; K305-S309 PolarHBondContact O-OG 2.92Å; E306-S309 WeakPolarHBondContact O-CB 3.48Å; E306-S309 PolarHBondContact O-N 3.44Å; K307-S309 PolarHBondContact O-N 2.92Å; K307-S309 VanDerWaalsContact O-N 3.11Å; S309-Q359 VanDerWaalsContact CA-OE1 3.32Å; S309-Q359 PolarHBondContact O-NE2 3.22Å; S309-Q359 VanDerWaalsContact O-NE2 3.13Å; S309-Q359 PolarHBondContact OG-OE1 2.96Å
310	T	79.4	Confident	78.5	Confident	65 Å²	65	51.4 Å²	51.4	40%	0.399	28%	0.278	S	S	.	.	S	Bend	trans	-73.8	142.6	-177.9	-59.7	0	0	0	0	111.8	E306 K307 F308 V312 F313 T314	E306-T310 PolarHBondContact O-N 3.42Å; E306-T310 PolarHBondContact O-OG1 2.84Å; K307-T310 WeakPolarHBondContact O-CB 3.35Å; K307-T310 PolarHBondContact O-N 3.43Å; K307-T310 PolarHBondContact O-OG1 2.78Å; K307-T310 VanDerWaalsContact O-OG1 3.07Å; F308-T310 VanDerWaalsContact C-N 3.31Å; T310-V312 HydrophobicContact CG2-CG2 4.37Å; T310-V312 PolarHBondContact O-N 2.88Å; T310-F313 PolarHBondContact O-N 3.27Å; T310-T314 PolarHBondContact O-N 3.36Å
311	K	66.2	Low	78.4	Confident	173 Å²	173	51.4 Å²	51.4	75%	0.752	28%	0.278	S	S	*	.	H	α-helix	trans	-52	-36.3	-174	-76.1	-173.1	176.7	-178	0	114.7	F313 T314 T315	K311-F313 VanDerWaalsContact C-N 3.3Å; K311-F313 PolarHBondContact O-N 3.47Å; K311-T314 VanDerWaalsContact C-OG1 3.32Å; K311-T314 WeakPolarHBondContact CA-OG1 3.25Å; K311-T314 PolarHBondContact O-N 2.82Å; K311-T314 PolarHBondContact O-OG1 2.69Å; K311-T315 PolarHBondContact O-N 2.95Å; K311-T315 PolarHBondContact O-OG1 3.48Å
312	V	64.8	Low	78.3	Confident	61 Å²	61	51.3 Å²	51.3	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-55.5	-45.5	179.4	-179.1	0	0	0	0	111.4	T310 T315	T310-V312 HydrophobicContact CG2-CG2 4.37Å; T310-V312 PolarHBondContact O-N 2.88Å; V312-T315 PolarHBondContact O-OG1 3.39Å
313	F	64.3	Low	78.4	Confident	9 Å²	9	52 Å²	52	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-79.6	-29	-179.3	-66.7	-19.8	0	0	0	112.6	S253 V255 F258 K307 F308 T310 K311 T315 E316 M321	S253-F313 WeakPolarHBondContact O-CE1 3.41Å; V255-F313 HydrophobicContact CB-CD1 4.17Å; V255-F313 HydrophobicContact CB-CE1 4.44Å; V255-F313 HydrophobicContact CB-CG 4.5Å; V255-F313 HydrophobicContact CG2-CB 3.48Å; V255-F313 VanDerWaalsContact CG2-CB 3.48Å; V255-F313 HydrophobicContact CG2-CD1 3.23Å; V255-F313 HydrophobicContact CG2-CD2 4.27Å; V255-F313 HydrophobicContact CG2-CE1 3.94Å; V255-F313 HydrophobicContact CG2-CG 3.42Å; V255-F313 VanDerWaalsContact CG2-CG 3.42Å; F258-F313 HydrophobicContact CB-CE1 4.46Å; F258-F313 HydrophobicContact CB-CZ 3.76Å; F258-F313 HydrophobicContact CD1-CE2 4.02Å; F258-F313 HydrophobicContact CD1-CZ 4.09Å; F258-F313 HydrophobicContact CG-CE2 4.27Å; F258-F313 AromaticContact CG-CZ 3.91Å; F258-F313 HydrophobicContact CG-CZ 3.91Å; K307-F313 HydrophobicContact CB-CE2 4.5Å; K307-F313 HydrophobicContact CD-CE2 3.92Å; K307-F313 HydrophobicContact CD-CZ 4.42Å; K307-F313 HydrophobicContact CG-CD2 4.44Å; K307-F313 HydrophobicContact CG-CE2 3.74Å; K307-F313 VanDerWaalsContact O-CD2 3.22Å; K307-F313 WeakPolarHBondContact O-CD2 3.43Å; F308-F313 HydrophobicContact CD1-CD2 4.32Å; T310-F313 PolarHBondContact O-N 3.27Å; K311-F313 VanDerWaalsContact C-N 3.3Å; K311-F313 PolarHBondContact O-N 3.47Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 2.91Å; F313-E316 PolarHBondContact O-N 2.88Å; F313-M321 HydrophobicContact CB-CE 4.29Å
314	T	65.6	Low	78.5	Confident	18 Å²	18	50.7 Å²	50.7	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-22.5	178.8	62.8	0	0	0	0	114	T310 K311 E316 L363	T310-T314 PolarHBondContact O-N 3.36Å; K311-T314 VanDerWaalsContact C-OG1 3.32Å; K311-T314 WeakPolarHBondContact CA-OG1 3.25Å; K311-T314 PolarHBondContact O-N 2.82Å; K311-T314 PolarHBondContact O-OG1 2.69Å; T314-E316 VanDerWaalsContact C-N 3.33Å; T314-L363 VanDerWaalsContact CB-CD1 3.47Å; T314-L363 HydrophobicContact CG2-CD1 3.68Å
315	T	62.5	Low	78.7	Confident	119 Å²	119	50.7 Å²	50.7	73%	0.73	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.1	177.6	42.1	0	0	0	0	114	K311 V312 F313	K311-T315 PolarHBondContact O-N 2.95Å; K311-T315 PolarHBondContact O-OG1 3.48Å; V312-T315 PolarHBondContact O-OG1 3.39Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 2.91Å
316	E	64.1	Low	79	Confident	31 Å²	31	47.8 Å²	47.8	15%	0.145	25%	0.25	C	C	.	.	S	Bend	trans	-76	159	177.8	-69.5	-174.4	-159	0	0	112.3	D254 V255 F313 T314 G318	D254-E316 VanDerWaalsContact CA-OE1 3.23Å; D254-E316 WeakPolarHBondContact CA-OE1 3.41Å; V255-E316 VanDerWaalsContact CB-OE2 3.28Å; V255-E316 WeakPolarHBondContact CB-OE2 3.47Å; V255-E316 HydrophobicContact CG2-CG 4.31Å; V255-E316 WeakPolarHBondContact CG2-OE1 3.5Å; V255-E316 WeakPolarHBondContact CG2-OE2 3.26Å; V255-E316 PolarHBondContact N-OE1 2.73Å; V255-E316 PolarHBondContact N-OE2 2.83Å; F313-E316 PolarHBondContact O-N 2.88Å; T314-E316 VanDerWaalsContact C-N 3.33Å; E316-G318 PolarHBondContact O-N 3.33Å
317	S	71.4	Confident	79.3	Confident	64 Å²	64	44.9 Å²	44.9	45%	0.448	23%	0.233	S	C	.	.			trans	-59.4	138.3	179.2	68.6	0	0	0	0	111.8	F319 L320 M321	S317-F319 PolarHBondContact O-N 2.64Å; S317-L320 PolarHBondContact O-N 3.21Å; S317-L320 VanDerWaalsContact OG-CG 3.3Å; S317-L320 WeakPolarHBondContact OG-CG 3.31Å; S317-L320 PolarHBondContact OG-N 3.12Å; S317-M321 PolarHBondContact O-N 3.41Å
318	G	79.5	Confident	79.7	Confident	8 Å²	8	43.4 Å²	43.4	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-53.2	-28.3	177.2	0	0	0	0	0	113.7	E316 A322	E316-G318 PolarHBondContact O-N 3.33Å; G318-A322 WeakPolarHBondContact O-CB 3.33Å; G318-A322 PolarHBondContact O-N 2.94Å
319	F	85.3	Confident	80.1	Confident	106 Å²	106	43.4 Å²	43.4	47%	0.465	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-51.2	171.6	176.8	-104.8	0	0	0	113.5	S317 M321 A322 R323 H437	S317-F319 PolarHBondContact O-N 2.64Å; F319-M321 VanDerWaalsContact C-N 3.3Å; F319-M321 PolarHBondContact O-N 3.35Å; F319-A322 PolarHBondContact O-N 2.57Å; F319-R323 WeakPolarHBondContact O-CB 3.23Å; F319-R323 PolarHBondContact O-N 3.4Å; F319-H437 AromaticContact CD2-CE1 3.97Å; F319-H437 AromaticContact CD2-ND1 3.72Å
320	L	86.6	Confident	80.6	Confident	54 Å²	54	45.9 Å²	45.9	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-41	179.9	-69.3	172.3	0	0	0	110.6	L256 S317 R323 A324	L256-L320 HydrophobicContact CD1-CD2 3.52Å; L256-L320 HydrophobicContact CG-CD2 4.34Å; S317-L320 PolarHBondContact O-N 3.21Å; S317-L320 VanDerWaalsContact OG-CG 3.3Å; S317-L320 WeakPolarHBondContact OG-CG 3.31Å; S317-L320 PolarHBondContact OG-N 3.12Å; L320-R323 PolarHBondContact O-N 3.4Å; L320-A324 WeakPolarHBondContact O-CB 3.31Å; L320-A324 PolarHBondContact O-N 3.03Å
321	M	86.7	Confident	81.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-49.9	178	-169.3	59.5	130.8	0	0	111.9	V255 F308 F313 S317 F319 R323 A324 L325 T356 Q360 F438	V255-M321 HydrophobicContact CG1-SD 3.95Å; V255-M321 HydrophobicContact CG2-SD 4.43Å; F308-M321 HydrophobicContact CB-CE 4.15Å; F308-M321 HydrophobicContact CD1-CE 4.05Å; F308-M321 HydrophobicContact CD1-SD 4.02Å; F308-M321 WeakPolarHBondContact O-CE 3.46Å; F313-M321 HydrophobicContact CB-CE 4.29Å; S317-M321 PolarHBondContact O-N 3.41Å; F319-M321 VanDerWaalsContact C-N 3.3Å; F319-M321 PolarHBondContact O-N 3.35Å; M321-R323 VanDerWaalsContact C-N 3.27Å; M321-R323 PolarHBondContact O-N 3.49Å; M321-A324 PolarHBondContact O-N 3.46Å; M321-L325 HydrophobicContact CG-CD1 4.45Å; M321-L325 WeakPolarHBondContact O-CG 3.49Å; M321-L325 PolarHBondContact O-N 3.47Å; M321-T356 HydrophobicContact CE-CG2 3.24Å; M321-T356 HydrophobicContact CG-CG2 3.91Å; M321-T356 HydrophobicContact SD-CG2 3.91Å; M321-Q360 HydrophobicContact CG-CG 4.42Å; M321-F438 HydrophobicContact CB-CZ 4.1Å; M321-F438 HydrophobicContact CG-CE1 4.42Å; M321-F438 HydrophobicContact CG-CZ 3.98Å
322	A	89.2	Confident	82.2	Confident	3 Å²	3	38 Å²	38	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-40.6	176.9	0	0	0	0	0	111.8	G318 F319 D326 H437 F438	G318-A322 WeakPolarHBondContact O-CB 3.33Å; G318-A322 PolarHBondContact O-N 2.94Å; F319-A322 PolarHBondContact O-N 2.57Å; A322-D326 WeakPolarHBondContact O-CB 3.2Å; A322-D326 PolarHBondContact O-N 3.35Å; A322-H437 HydrophobicContact CB-CB 4.29Å; A322-F438 HydrophobicContact CB-CD1 4.06Å; A322-F438 HydrophobicContact CB-CD2 4.48Å; A322-F438 HydrophobicContact CB-CE1 4.16Å; A322-F438 HydrophobicContact CB-CG 4.22Å; A322-F438 HydrophobicContact CB-CZ 4.39Å
323	R	90.3	Very high	83.4	Confident	71 Å²	71	37.1 Å²	37.1	27%	0.268	18%	0.18	S	C	.	.	H	α-helix	trans	-69.7	-38.2	178.9	-165.8	58.2	161.3	151.5	-10.2	112.9	F319 L320 M321 D326 R327	F319-R323 WeakPolarHBondContact O-CB 3.23Å; F319-R323 PolarHBondContact O-N 3.4Å; L320-R323 PolarHBondContact O-N 3.4Å; M321-R323 VanDerWaalsContact C-N 3.27Å; M321-R323 PolarHBondContact O-N 3.49Å; R323-D326 IonicContact NH1-OD2 2.54Å; R323-D326 PolarHBondContact NH1-OD2 3.41Å; R323-D326 PolarHBondContact O-N 3.04Å; R323-R327 WeakPolarHBondContact O-CG 3.44Å; R323-R327 PolarHBondContact O-N 2.8Å
324	A	89.2	Confident	84.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-45.1	176.5	0	0	0	0	0	111.5	V255 L256 V259 L320 M321 D326 R327 F328	V255-A324 HydrophobicContact CB-CB 4.48Å; V255-A324 HydrophobicContact CG1-CB 3.44Å; V255-A324 VanDerWaalsContact CG1-CB 3.44Å; L256-A324 HydrophobicContact CD2-CB 3.93Å; V259-A324 HydrophobicContact CG2-CB 3.99Å; L320-A324 WeakPolarHBondContact O-CB 3.31Å; L320-A324 PolarHBondContact O-N 3.03Å; M321-A324 PolarHBondContact O-N 3.46Å; A324-D326 VanDerWaalsContact C-N 3.33Å; A324-D326 PolarHBondContact O-N 3.31Å; A324-R327 PolarHBondContact O-N 3.42Å; A324-F328 WeakPolarHBondContact O-CB 3.06Å; A324-F328 PolarHBondContact O-N 3.03Å
325	L	91.2	Very high	85.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-41.8	174.7	-69.6	176.8	0	0	0	112.1	F308 M321 F328 Y329 L352 I353 T356 F438 F445	F308-L325 HydrophobicContact CD2-CD2 4.26Å; F308-L325 HydrophobicContact CE2-CD2 4.16Å; F308-L325 HydrophobicContact CZ-CD2 4.3Å; M321-L325 HydrophobicContact CG-CD1 4.45Å; M321-L325 WeakPolarHBondContact O-CG 3.49Å; M321-L325 PolarHBondContact O-N 3.47Å; L325-F328 PolarHBondContact O-N 3.46Å; L325-Y329 VanDerWaalsContact O-CB 3.29Å; L325-Y329 WeakPolarHBondContact O-CB 3.32Å; L325-Y329 PolarHBondContact O-N 2.9Å; L325-L352 HydrophobicContact CD2-CD2 3.46Å; L325-L352 VanDerWaalsContact CD2-CD2 3.46Å; L325-I353 HydrophobicContact CB-CG1 4.42Å; L325-I353 HydrophobicContact CD1-CG2 4.35Å; L325-I353 HydrophobicContact CD2-CG1 4.49Å; L325-T356 HydrophobicContact CD1-CG2 3.9Å; L325-T356 HydrophobicContact CD2-CG2 4.43Å; L325-F438 HydrophobicContact CD1-CE1 3.81Å; L325-F445 HydrophobicContact CB-CE1 4.39Å
326	D	92.2	Very high	86.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-42.7	175.9	173.5	57.5	0	0	0	112.5	A322 R323 A324 Y329 R330 L443 S444 F445	A322-D326 WeakPolarHBondContact O-CB 3.2Å; A322-D326 PolarHBondContact O-N 3.35Å; R323-D326 IonicContact NH1-OD2 2.54Å; R323-D326 PolarHBondContact NH1-OD2 3.41Å; R323-D326 PolarHBondContact O-N 3.04Å; A324-D326 VanDerWaalsContact C-N 3.33Å; A324-D326 PolarHBondContact O-N 3.31Å; D326-Y329 PolarHBondContact O-N 2.87Å; D326-R330 VanDerWaalsContact CG-NE 3.29Å; D326-R330 WeakPolarHBondContact O-CB 3.47Å; D326-R330 VanDerWaalsContact O-CG 3.28Å; D326-R330 WeakPolarHBondContact O-CG 3.21Å; D326-R330 PolarHBondContact O-N 3.23Å; D326-R330 IonicContact OD1-CZ 2.81Å; D326-R330 IonicContact OD1-NE 2.73Å; D326-R330 PolarHBondContact OD1-NE 3.38Å; D326-R330 IonicContact OD1-NH2 2.8Å; D326-R330 PolarHBondContact OD1-NH2 3.23Å; D326-R330 IonicContact OD2-CZ 3.49Å; D326-R330 IonicContact OD2-NE 3.64Å; D326-R330 PolarHBondContact OD2-NE 3.11Å; D326-R330 IonicContact OD2-NH2 4Å; D326-R330 PolarHBondContact OD2-NH2 3.44Å; D326-L443 HydrophobicContact CB-CD2 3.68Å; D326-S444 WeakPolarHBondContact OD1-CB 3.46Å; D326-S444 PolarHBondContact OD1-N 2.94Å; D326-S444 PolarHBondContact OD1-OG 2.76Å; D326-F445 HydrophobicContact CB-CD1 4.06Å; D326-F445 HydrophobicContact CB-CE1 3.91Å
327	R	91.2	Very high	87.8	Confident	83 Å²	83	41.4 Å²	41.4	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-44.6	174.3	-74.6	-178.5	-176.3	-165.2	6.1	112.2	V259 D260 R323 A324 Y329 R330 R331	V259-R327 HydrophobicContact CG1-CB 4.08Å; D260-R327 VanDerWaalsContact CG-NH1 3.32Å; D260-R327 IonicContact OD1-NH1 2.87Å; D260-R327 PolarHBondContact OD1-NH1 3.44Å; D260-R327 IonicContact OD2-CZ 3.37Å; D260-R327 IonicContact OD2-NH1 2.86Å; D260-R327 PolarHBondContact OD2-NH1 3.32Å; R323-R327 WeakPolarHBondContact O-CG 3.44Å; R323-R327 PolarHBondContact O-N 2.8Å; A324-R327 PolarHBondContact O-N 3.42Å; R327-Y329 VanDerWaalsContact C-N 3.35Å; R327-R330 PolarHBondContact O-N 3.43Å; R327-R331 WeakPolarHBondContact O-CG 3.42Å; R327-R331 PolarHBondContact O-N 3.24Å
328	F	91	Very high	88.4	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-48.8	174.7	175.3	-98.2	0	0	0	110.8	V259 C263 L267 Y300 I301 C304 A324 L325 R330 R331 L332 L352	V259-F328 HydrophobicContact CG1-CB 4.19Å; C263-F328 HydrophobicContact CB-CD2 4.08Å; C263-F328 HydrophobicContact CB-CE2 4.49Å; L267-F328 HydrophobicContact CD1-CD2 4.4Å; L267-F328 HydrophobicContact CD1-CE2 4.34Å; Y300-F328 HydrophobicContact CE1-CE2 4.01Å; I301-F328 HydrophobicContact CG1-CE1 4.46Å; I301-F328 HydrophobicContact CG1-CZ 4.06Å; C304-F328 HydrophobicContact CB-CZ 4.48Å; A324-F328 WeakPolarHBondContact O-CB 3.06Å; A324-F328 PolarHBondContact O-N 3.03Å; L325-F328 PolarHBondContact O-N 3.46Å; F328-R330 PolarHBondContact O-N 2.86Å; F328-R331 PolarHBondContact O-N 2.91Å; F328-L332 PolarHBondContact O-N 3.36Å; F328-L332 VanDerWaalsContact O-N 3.09Å; F328-L352 HydrophobicContact CE1-CD1 4.32Å
329	Y	91.9	Very high	88.6	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-44.1	-180	-174.4	-113	0	0	0	113.1	L325 D326 R327 R331 L332 L333 A349 M350 I353 F445	L325-Y329 VanDerWaalsContact O-CB 3.29Å; L325-Y329 WeakPolarHBondContact O-CB 3.32Å; L325-Y329 PolarHBondContact O-N 2.9Å; D326-Y329 PolarHBondContact O-N 2.87Å; R327-Y329 VanDerWaalsContact C-N 3.35Å; Y329-R331 VanDerWaalsContact C-N 3.28Å; Y329-R331 PolarHBondContact O-N 3.48Å; Y329-L332 WeakPolarHBondContact O-CB 3.36Å; Y329-L332 PolarHBondContact O-N 2.87Å; Y329-L333 HydrophobicContact CD1-CD1 3.85Å; Y329-L333 HydrophobicContact CD1-CG 4.26Å; Y329-L333 HydrophobicContact CE1-CD1 3.41Å; Y329-L333 VanDerWaalsContact CE1-CD1 3.41Å; Y329-L333 HydrophobicContact CE1-CD2 4.28Å; Y329-L333 HydrophobicContact CE1-CG 3.86Å; Y329-L333 HydrophobicContact CE2-CD2 4.44Å; Y329-L333 HydrophobicContact CE2-CG 4.35Å; Y329-L333 WeakPolarHBondContact O-CG 3.36Å; Y329-L333 PolarHBondContact O-N 2.91Å; Y329-A349 HydrophobicContact CD2-CB 4.36Å; Y329-A349 HydrophobicContact CE2-CB 4.5Å; Y329-M350 HydrophobicContact CD1-CE 4.42Å; Y329-M350 HydrophobicContact CD2-CE 3.56Å; Y329-M350 HydrophobicContact CE1-CE 3.94Å; Y329-M350 HydrophobicContact CE2-CE 3.01Å; Y329-M350 HydrophobicContact CG-CE 4.24Å; Y329-M350 WeakPolarHBondContact OH-CE 3.3Å; Y329-I353 HydrophobicContact CD2-CD1 3.96Å; Y329-I353 HydrophobicContact CG-CD1 4.03Å; Y329-F445 HydrophobicContact CD1-CB 3.56Å; Y329-F445 VanDerWaalsContact CE1-CA 3.46Å; Y329-F445 HydrophobicContact CE1-CB 3.83Å; Y329-F445 HydrophobicContact CG-CB 4Å
330	R	90.9	Very high	88.7	Confident	96 Å²	96	39 Å²	39	36%	0.362	19%	0.191	S	C	.	.	H	α-helix	trans	-60	-36.7	176.4	-73.2	175.2	-160.4	-152.2	-3.6	112.7	D326 R327 F328 L333 A334 D442 S444	D326-R330 VanDerWaalsContact CG-NE 3.29Å; D326-R330 WeakPolarHBondContact O-CB 3.47Å; D326-R330 VanDerWaalsContact O-CG 3.28Å; D326-R330 WeakPolarHBondContact O-CG 3.21Å; D326-R330 PolarHBondContact O-N 3.23Å; D326-R330 IonicContact OD1-CZ 2.81Å; D326-R330 IonicContact OD1-NE 2.73Å; D326-R330 PolarHBondContact OD1-NE 3.38Å; D326-R330 IonicContact OD1-NH2 2.8Å; D326-R330 PolarHBondContact OD1-NH2 3.23Å; D326-R330 IonicContact OD2-CZ 3.49Å; D326-R330 IonicContact OD2-NE 3.64Å; D326-R330 PolarHBondContact OD2-NE 3.11Å; D326-R330 IonicContact OD2-NH2 4Å; D326-R330 PolarHBondContact OD2-NH2 3.44Å; R327-R330 PolarHBondContact O-N 3.43Å; F328-R330 PolarHBondContact O-N 2.86Å; R330-L333 PolarHBondContact O-N 3.2Å; R330-A334 PolarHBondContact O-N 3.29Å; R330-D442 PolarHBondContact NH2-O 3.05Å; R330-S444 WeakPolarHBondContact CG-OG 3.36Å; R330-S444 PolarHBondContact NE-OG 2.92Å; R330-S444 PolarHBondContact NH2-OG 2.99Å
331	R	89.1	Confident	88.8	Confident	70 Å²	70	37.3 Å²	37.3	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-70.1	-39.1	176.9	-72.4	179.2	-177.6	148.4	5.1	111.8	V259 D260 S264 L267 R327 F328 Y329 L333 A334 I335	V259-R331 PolarHBondContact O-NH1 3.37Å; D260-R331 IonicContact OD1-CZ 3.69Å; D260-R331 IonicContact OD1-NH1 3.66Å; D260-R331 IonicContact OD1-NH2 3.08Å; D260-R331 PolarHBondContact OD1-NH2 3.46Å; S264-R331 PolarHBondContact OG-NH1 2.81Å; S264-R331 PolarHBondContact OG-NH2 3.47Å; L267-R331 HydrophobicContact CD1-CB 3.8Å; R327-R331 WeakPolarHBondContact O-CG 3.42Å; R327-R331 PolarHBondContact O-N 3.24Å; F328-R331 PolarHBondContact O-N 2.91Å; Y329-R331 VanDerWaalsContact C-N 3.28Å; Y329-R331 PolarHBondContact O-N 3.48Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-A334 WeakPolarHBondContact O-CB 3.49Å; R331-A334 PolarHBondContact O-N 2.94Å; R331-I335 PolarHBondContact O-N 3.19Å; R331-I335 VanDerWaalsContact O-N 3.12Å
332	L	89.5	Confident	88.8	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-43.1	172.8	-169.7	70.8	0	0	0	111.4	L297 I301 F328 Y329 A334 I335 E336 V345 A349	L297-L332 HydrophobicContact CD1-CD1 4.24Å; L297-L332 HydrophobicContact CD2-CD1 4.44Å; I301-L332 HydrophobicContact CD1-CD2 4.15Å; F328-L332 PolarHBondContact O-N 3.36Å; F328-L332 VanDerWaalsContact O-N 3.09Å; Y329-L332 WeakPolarHBondContact O-CB 3.36Å; Y329-L332 PolarHBondContact O-N 2.87Å; L332-A334 VanDerWaalsContact C-N 3.3Å; L332-A334 PolarHBondContact O-N 2.78Å; L332-I335 PolarHBondContact O-N 3.04Å; L332-E336 PolarHBondContact O-N 3.3Å; L332-V345 HydrophobicContact CD1-CG1 3.99Å; L332-V345 HydrophobicContact CD2-CG1 4.17Å; L332-V345 HydrophobicContact CG-CG1 4.42Å; L332-A349 HydrophobicContact CD2-CB 3.3Å
333	L	89.2	Confident	88.7	Confident	42 Å²	42	44.4 Å²	44.4	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-37.2	173.2	-73	179.1	0	0	0	112.6	Y329 R330 R331 I335 E336 Q337	Y329-L333 HydrophobicContact CD1-CD1 3.85Å; Y329-L333 HydrophobicContact CD1-CG 4.26Å; Y329-L333 HydrophobicContact CE1-CD1 3.41Å; Y329-L333 VanDerWaalsContact CE1-CD1 3.41Å; Y329-L333 HydrophobicContact CE1-CD2 4.28Å; Y329-L333 HydrophobicContact CE1-CG 3.86Å; Y329-L333 HydrophobicContact CE2-CD2 4.44Å; Y329-L333 HydrophobicContact CE2-CG 4.35Å; Y329-L333 WeakPolarHBondContact O-CG 3.36Å; Y329-L333 PolarHBondContact O-N 2.91Å; R330-L333 PolarHBondContact O-N 3.2Å; R331-L333 VanDerWaalsContact C-N 3.33Å; L333-I335 VanDerWaalsContact C-N 3.32Å; L333-I335 PolarHBondContact O-N 3.46Å; L333-E336 PolarHBondContact O-N 3.31Å; L333-Q337 WeakPolarHBondContact O-CG 3.35Å; L333-Q337 PolarHBondContact O-N 2.87Å
334	A	88.8	Confident	88.7	Confident	50 Å²	50	46.6 Å²	46.6	41%	0.413	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-38.1	176.5	0	0	0	0	0	111.9	R330 R331 L332 Q337 V338	R330-A334 PolarHBondContact O-N 3.29Å; R331-A334 WeakPolarHBondContact O-CB 3.49Å; R331-A334 PolarHBondContact O-N 2.94Å; L332-A334 VanDerWaalsContact C-N 3.3Å; L332-A334 PolarHBondContact O-N 2.78Å; A334-Q337 PolarHBondContact O-N 3.25Å; A334-V338 PolarHBondContact O-N 3.28Å
335	I	87.7	Confident	88.7	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-42	173.3	-66.9	164.9	0	0	0	110.7	L267 I274 R331 L332 L333 Q337 V338 L339 L341	L267-I335 HydrophobicContact CB-CD1 3.89Å; L267-I335 HydrophobicContact CD2-CD1 3.74Å; L267-I335 HydrophobicContact CG-CD1 4.3Å; I274-I335 HydrophobicContact CD1-CG2 3.44Å; I274-I335 VanDerWaalsContact CD1-CG2 3.44Å; R331-I335 PolarHBondContact O-N 3.19Å; R331-I335 VanDerWaalsContact O-N 3.12Å; L332-I335 PolarHBondContact O-N 3.04Å; L333-I335 VanDerWaalsContact C-N 3.32Å; L333-I335 PolarHBondContact O-N 3.46Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 2.87Å; I335-V338 WeakPolarHBondContact O-CB 3.41Å; I335-V338 PolarHBondContact O-N 3.24Å; I335-V338 VanDerWaalsContact O-N 3.08Å; I335-L339 PolarHBondContact O-N 3.48Å; I335-L341 HydrophobicContact CG2-CD1 4.31Å
336	E	86.6	Confident	88.6	Confident	42 Å²	42	49.2 Å²	49.2	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-31.1	-180	-165.7	176.4	-176.1	0	0	113.3	L332 L333 V338 L339 Q346	L332-E336 PolarHBondContact O-N 3.3Å; L333-E336 PolarHBondContact O-N 3.31Å; E336-V338 VanDerWaalsContact C-N 3.26Å; E336-V338 PolarHBondContact O-N 3.28Å; E336-L339 WeakPolarHBondContact CA-O 3.34Å; E336-L339 CarbonylContact O-C 3.55Å; E336-L339 VanDerWaalsContact O-C 3.24Å; E336-Q346 VanDerWaalsContact OE1-CD 3.32Å; E336-Q346 PolarHBondContact OE1-NE2 3.11Å; E336-Q346 WeakPolarHBondContact OE2-CG 2.98Å; E336-Q346 PolarHBondContact OE2-NE2 2.77Å
337	Q	86.2	Confident	88.5	Confident	170 Å²	170	53 Å²	53	79%	0.794	28%	0.278	S	S	*	.	H	α-helix	trans	-64.3	-32.5	171.6	-75.2	-178.3	7.2	0	0	112.4	L333 A334 I335	L333-Q337 WeakPolarHBondContact O-CG 3.35Å; L333-Q337 PolarHBondContact O-N 2.87Å; A334-Q337 PolarHBondContact O-N 3.25Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 2.87Å
338	V	84.6	Confident	88.5	Confident	45 Å²	45	49.8 Å²	49.8	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-74.4	-63.9	172	-174.8	0	0	0	0	107.9	I274 T275 R278 A334 I335 E336	I274-V338 HydrophobicContact CG2-CB 4.37Å; I274-V338 HydrophobicContact CG2-CG1 3.56Å; T275-V338 HydrophobicContact CG2-CG1 4.44Å; R278-V338 PolarHBondContact NH1-O 2.99Å; R278-V338 PolarHBondContact NH2-O 3.22Å; A334-V338 PolarHBondContact O-N 3.28Å; I335-V338 WeakPolarHBondContact O-CB 3.41Å; I335-V338 PolarHBondContact O-N 3.24Å; I335-V338 VanDerWaalsContact O-N 3.08Å; E336-V338 VanDerWaalsContact C-N 3.26Å; E336-V338 PolarHBondContact O-N 3.28Å
339	L	84.2	Confident	88.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-115.1	116.3	-176.6	-176	70.7	0	0	0	111.2	I274 L289 I290 I293 I335 E336 L341	I274-L339 HydrophobicContact CD1-CB 4.29Å; I274-L339 HydrophobicContact CD1-CD2 4.29Å; I274-L339 HydrophobicContact CG1-CD2 4.23Å; I274-L339 HydrophobicContact CG2-CB 3.85Å; I274-L339 HydrophobicContact CG2-CD2 4.45Å; L289-L339 HydrophobicContact CD2-CD1 4.43Å; L289-L339 HydrophobicContact CD2-CD2 4.04Å; L289-L339 HydrophobicContact CG-CD2 4.24Å; I290-L339 HydrophobicContact CD1-CD1 4.26Å; I290-L339 HydrophobicContact CG1-CD1 3.8Å; I290-L339 HydrophobicContact CG1-CD2 4.05Å; I290-L339 HydrophobicContact CG1-CG 4Å; I293-L339 HydrophobicContact CD1-CD2 3.96Å; I335-L339 PolarHBondContact O-N 3.48Å; E336-L339 WeakPolarHBondContact CA-O 3.34Å; E336-L339 CarbonylContact O-C 3.55Å; E336-L339 VanDerWaalsContact O-C 3.24Å; L339-L341 HydrophobicContact CD2-CD2 4Å; L339-L341 HydrophobicContact CG-CD2 4.34Å; L339-L341 WeakPolarHBondContact O-CG 3.2Å; L339-L341 PolarHBondContact O-N 2.67Å
340	P	86.6	Confident	88.5	Confident	84 Å²	84	50.6 Å²	50.6	55%	0.545	27%	0.274	S	S	.	.			trans	-64.8	105.2	174.9	25.4	-32.5	0	0	0	110
341	L	88.2	Confident	88.5	Confident	17 Å²	17	51 Å²	51	9%	0.089	28%	0.28	C	S	.	.			trans	-79.7	171.7	-177.1	-63.1	174.4	0	0	0	111.5	I293 L297 I335 L339 V345	I293-L341 HydrophobicContact CB-CD2 4.39Å; I293-L341 HydrophobicContact CG2-CD2 3.75Å; L297-L341 HydrophobicContact CD1-CD1 3.45Å; L297-L341 VanDerWaalsContact CD1-CD1 3.45Å; L297-L341 HydrophobicContact CD1-CD2 4.42Å; I335-L341 HydrophobicContact CG2-CD1 4.31Å; L339-L341 HydrophobicContact CD2-CD2 4Å; L339-L341 HydrophobicContact CG-CD2 4.34Å; L339-L341 WeakPolarHBondContact O-CG 3.2Å; L339-L341 PolarHBondContact O-N 2.67Å; L341-V345 HydrophobicContact CB-CB 4.45Å; L341-V345 HydrophobicContact CB-CG2 4.2Å; L341-V345 HydrophobicContact CD1-CB 4.37Å; L341-V345 HydrophobicContact CD1-CG1 4.02Å; L341-V345 HydrophobicContact CD1-CG2 4.34Å
342	K	87.2	Confident	88.6	Confident	76 Å²	76	47.7 Å²	47.7	33%	0.33	27%	0.267	S	S	.	.			trans	-64.3	141.2	169.7	-67.2	-176.5	173.5	-174.2	0	110.1	I290 D291 S294 Q344 V345	I290-K342 HydrophobicContact CG2-CG 4.13Å; D291-K342 WeakPolarHBondContact OD1-CE 3.3Å; D291-K342 IonicContact OD1-NZ 3.92Å; D291-K342 PolarHBondContact OD1-NZ 2.9Å; S294-K342 PolarHBondContact OG-N 3.32Å; K342-Q344 PolarHBondContact O-N 3.48Å; K342-V345 PolarHBondContact O-N 3.31Å
343	A	87.2	Confident	88.8	Confident	77 Å²	77	47.6 Å²	47.6	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-54.5	-22.5	177.3	0	0	0	0	0	114.1	V345 Q346 S347	A343-V345 PolarHBondContact O-N 3.22Å; A343-Q346 PolarHBondContact O-N 2.8Å; A343-S347 PolarHBondContact O-N 3.28Å; A343-S347 VanDerWaalsContact O-N 3.07Å
344	Q	89.9	Confident	88.9	Confident	117 Å²	117	48 Å²	48	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-32.3	174.8	-68.2	160.5	-20.4	0	0	112.9	I298 K342 S347 A348	I298-Q344 HydrophobicContact CD1-CB 3.83Å; K342-Q344 PolarHBondContact O-N 3.48Å; Q344-S347 PolarHBondContact O-N 2.98Å; Q344-A348 WeakPolarHBondContact O-CB 3.38Å; Q344-A348 PolarHBondContact O-N 2.92Å
345	V	90.1	Very high	89	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-68.9	-46.7	179.7	-177.6	0	0	0	0	110.7	L297 I298 I301 L332 L341 K342 A343 S347 A348 A349	L297-V345 HydrophobicContact CB-CG1 4.1Å; L297-V345 HydrophobicContact CD1-CG1 4.27Å; I298-V345 HydrophobicContact CD1-CG2 4.41Å; I298-V345 HydrophobicContact CG1-CG2 4.2Å; I301-V345 HydrophobicContact CD1-CG1 3.96Å; L332-V345 HydrophobicContact CD1-CG1 3.99Å; L332-V345 HydrophobicContact CD2-CG1 4.17Å; L332-V345 HydrophobicContact CG-CG1 4.42Å; L341-V345 HydrophobicContact CB-CB 4.45Å; L341-V345 HydrophobicContact CB-CG2 4.2Å; L341-V345 HydrophobicContact CD1-CB 4.37Å; L341-V345 HydrophobicContact CD1-CG1 4.02Å; L341-V345 HydrophobicContact CD1-CG2 4.34Å; K342-V345 PolarHBondContact O-N 3.31Å; A343-V345 PolarHBondContact O-N 3.22Å; V345-S347 VanDerWaalsContact C-N 3.29Å; V345-S347 PolarHBondContact O-N 3.25Å; V345-A348 PolarHBondContact O-N 3.18Å; V345-A349 WeakPolarHBondContact O-CB 3.47Å; V345-A349 PolarHBondContact O-N 3.41Å
346	Q	88.4	Confident	89.1	Confident	53 Å²	53	46.7 Å²	46.7	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-41.1	174.1	-71.2	-169.6	-20.3	0	0	111.5	E336 A343 A349 M350	E336-Q346 VanDerWaalsContact OE1-CD 3.32Å; E336-Q346 PolarHBondContact OE1-NE2 3.11Å; E336-Q346 WeakPolarHBondContact OE2-CG 2.98Å; E336-Q346 PolarHBondContact OE2-NE2 2.77Å; A343-Q346 PolarHBondContact O-N 2.8Å; Q346-A349 PolarHBondContact O-N 3.03Å; Q346-M350 WeakPolarHBondContact O-CG 3.33Å; Q346-M350 PolarHBondContact O-N 2.84Å
347	S	90.4	Very high	89.2	Confident	79 Å²	79	44.7 Å²	44.7	55%	0.552	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-45.7	175.8	-172.7	0	0	0	0	111.9	A343 Q344 V345 M350 E351	A343-S347 PolarHBondContact O-N 3.28Å; A343-S347 VanDerWaalsContact O-N 3.07Å; Q344-S347 PolarHBondContact O-N 2.98Å; V345-S347 VanDerWaalsContact C-N 3.29Å; V345-S347 PolarHBondContact O-N 3.25Å; S347-M350 PolarHBondContact O-N 3.46Å; S347-E351 WeakPolarHBondContact O-CB 3.29Å; S347-E351 PolarHBondContact O-N 3.13Å
348	A	91.5	Very high	89.5	Confident	15 Å²	15	38.7 Å²	38.7	12%	0.124	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-40.9	178.2	0	0	0	0	0	111.7	I298 I301 Q344 V345 E351 L352	I298-A348 HydrophobicContact CG1-CB 4.43Å; I301-A348 HydrophobicContact CD1-CB 4.18Å; I301-A348 HydrophobicContact CG2-CB 3.99Å; I301-A348 WeakPolarHBondContact CG2-O 3.45Å; Q344-A348 WeakPolarHBondContact O-CB 3.38Å; Q344-A348 PolarHBondContact O-N 2.92Å; V345-A348 PolarHBondContact O-N 3.18Å; A348-E351 WeakPolarHBondContact O-CB 3.23Å; A348-E351 PolarHBondContact O-N 3.31Å; A348-L352 PolarHBondContact O-N 2.88Å
349	A	91.8	Very high	89.7	Confident	1 Å²	1	39 Å²	39	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-42.1	176.9	0	0	0	0	0	112.1	I301 Y329 L332 V345 Q346 E351 L352 I353	I301-A349 HydrophobicContact CD1-CB 4.19Å; Y329-A349 HydrophobicContact CD2-CB 4.36Å; Y329-A349 HydrophobicContact CE2-CB 4.5Å; L332-A349 HydrophobicContact CD2-CB 3.3Å; V345-A349 WeakPolarHBondContact O-CB 3.47Å; V345-A349 PolarHBondContact O-N 3.41Å; Q346-A349 PolarHBondContact O-N 3.03Å; A349-E351 VanDerWaalsContact C-N 3.34Å; A349-L352 WeakPolarHBondContact O-CB 3.37Å; A349-L352 PolarHBondContact O-N 3.43Å; A349-I353 WeakPolarHBondContact O-CG1 3.45Å; A349-I353 PolarHBondContact O-N 3.09Å
350	M	90.4	Very high	90	Very high	19 Å²	19	39.3 Å²	39.3	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-40.3	172.9	-76.4	-59.1	117.1	0	0	111.9	Y329 Q346 S347 L352 I353 K354 F445 Q448	Y329-M350 HydrophobicContact CD1-CE 4.42Å; Y329-M350 HydrophobicContact CD2-CE 3.56Å; Y329-M350 HydrophobicContact CE1-CE 3.94Å; Y329-M350 HydrophobicContact CE2-CE 3.01Å; Y329-M350 HydrophobicContact CG-CE 4.24Å; Y329-M350 WeakPolarHBondContact OH-CE 3.3Å; Q346-M350 WeakPolarHBondContact O-CG 3.33Å; Q346-M350 PolarHBondContact O-N 2.84Å; S347-M350 PolarHBondContact O-N 3.46Å; M350-L352 VanDerWaalsContact C-N 3.32Å; M350-L352 PolarHBondContact O-N 3.04Å; M350-I353 HydrophobicContact CE-CD1 3.74Å; M350-I353 PolarHBondContact O-N 3.07Å; M350-K354 VanDerWaalsContact O-CB 3.31Å; M350-K354 WeakPolarHBondContact O-CB 3.34Å; M350-K354 VanDerWaalsContact O-CG 3.26Å; M350-K354 WeakPolarHBondContact O-CG 3.47Å; M350-K354 PolarHBondContact O-N 3.03Å; M350-F445 HydrophobicContact CE-CB 3.91Å; M350-Q448 HydrophobicContact CE-CG 4.07Å; M350-Q448 HydrophobicContact CG-CG 4.41Å; M350-Q448 HydrophobicContact SD-CB 4.09Å; M350-Q448 HydrophobicContact SD-CG 3.96Å
351	E	91.4	Very high	90.2	Very high	105 Å²	105	35.3 Å²	35.3	49%	0.491	19%	0.19	S	C	.	.	H	α-helix	trans	-62.2	-40.7	176.3	-162.1	-157.5	142.5	0	0	111.5	K305 S347 A348 A349 S355	K305-E351 IonicContact NZ-OE1 3.67Å; K305-E351 PolarHBondContact NZ-OE1 2.67Å; S347-E351 WeakPolarHBondContact O-CB 3.29Å; S347-E351 PolarHBondContact O-N 3.13Å; A348-E351 WeakPolarHBondContact O-CB 3.23Å; A348-E351 PolarHBondContact O-N 3.31Å; A349-E351 VanDerWaalsContact C-N 3.34Å; E351-S355 VanDerWaalsContact O-CB 3.23Å; E351-S355 WeakPolarHBondContact O-CB 3.39Å; E351-S355 PolarHBondContact O-N 3.44Å; E351-S355 PolarHBondContact O-OG 2.96Å; E351-S355 VanDerWaalsContact O-OG 3.09Å
352	L	91.3	Very high	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-55.8	172.2	177	153.7	0	0	0	110.4	I301 C304 K305 F308 L325 F328 A348 A349 M350 K354 S355 T356	I301-L352 HydrophobicContact CG2-CB 4.01Å; I301-L352 HydrophobicContact CG2-CD1 3.89Å; I301-L352 WeakPolarHBondContact O-CD1 3.45Å; C304-L352 HydrophobicContact CB-CD1 3.67Å; K305-L352 HydrophobicContact CB-CD1 4.02Å; K305-L352 HydrophobicContact CB-CG 4.2Å; F308-L352 HydrophobicContact CD2-CD1 4.05Å; F308-L352 HydrophobicContact CD2-CD2 4.02Å; F308-L352 HydrophobicContact CD2-CG 4.3Å; F308-L352 HydrophobicContact CE2-CD1 4.25Å; F308-L352 HydrophobicContact CE2-CD2 4.14Å; L325-L352 HydrophobicContact CD2-CD2 3.46Å; L325-L352 VanDerWaalsContact CD2-CD2 3.46Å; F328-L352 HydrophobicContact CE1-CD1 4.32Å; A348-L352 PolarHBondContact O-N 2.88Å; A349-L352 WeakPolarHBondContact O-CB 3.37Å; A349-L352 PolarHBondContact O-N 3.43Å; M350-L352 VanDerWaalsContact C-N 3.32Å; M350-L352 PolarHBondContact O-N 3.04Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.01Å; L352-S355 PolarHBondContact O-N 3.49Å; L352-S355 PolarHBondContact O-OG 3.24Å; L352-T356 PolarHBondContact O-N 3.44Å; L352-T356 PolarHBondContact O-OG1 3.15Å
353	I	92.2	Very high	90.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-46.5	-177.7	-64.1	168.4	0	0	0	111	L325 Y329 A349 M350 T356 A357 F445 F451	L325-I353 HydrophobicContact CB-CG1 4.42Å; L325-I353 HydrophobicContact CD1-CG2 4.35Å; L325-I353 HydrophobicContact CD2-CG1 4.49Å; Y329-I353 HydrophobicContact CD2-CD1 3.96Å; Y329-I353 HydrophobicContact CG-CD1 4.03Å; A349-I353 WeakPolarHBondContact O-CG1 3.45Å; A349-I353 PolarHBondContact O-N 3.09Å; M350-I353 HydrophobicContact CE-CD1 3.74Å; M350-I353 PolarHBondContact O-N 3.07Å; I353-T356 PolarHBondContact O-N 3.23Å; I353-A357 VanDerWaalsContact O-CB 3.3Å; I353-A357 WeakPolarHBondContact O-CB 3.47Å; I353-A357 PolarHBondContact O-N 3.21Å; I353-F445 HydrophobicContact CD1-CB 3.71Å; I353-F445 HydrophobicContact CD1-CD1 4.05Å; I353-F445 HydrophobicContact CD1-CG 3.96Å; I353-F445 HydrophobicContact CG2-CD1 4.36Å; I353-F445 HydrophobicContact CG2-CD2 4.06Å; I353-F445 HydrophobicContact CG2-CE1 4.36Å; I353-F445 HydrophobicContact CG2-CE2 4.07Å; I353-F445 HydrophobicContact CG2-CG 4.2Å; I353-F445 HydrophobicContact CG2-CZ 4.19Å; I353-F451 HydrophobicContact CG2-CE2 3.92Å; I353-F451 HydrophobicContact CG2-CZ 4.24Å
354	K	91.6	Very high	90.6	Very high	50 Å²	50	35.2 Å²	35.2	22%	0.217	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-52.6	176.3	-75.1	-180	-178.3	-166.6	0	110.9	M350 L352 T356 A357 W358 F451 E454	M350-K354 VanDerWaalsContact O-CB 3.31Å; M350-K354 WeakPolarHBondContact O-CB 3.34Å; M350-K354 VanDerWaalsContact O-CG 3.26Å; M350-K354 WeakPolarHBondContact O-CG 3.47Å; M350-K354 PolarHBondContact O-N 3.03Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.01Å; K354-T356 VanDerWaalsContact C-N 3.32Å; K354-T356 PolarHBondContact O-N 3.45Å; K354-A357 PolarHBondContact O-N 2.93Å; K354-W358 HydrophobicContact CB-CZ2 4.26Å; K354-W358 HydrophobicContact CG-CZ2 4.23Å; K354-W358 VanDerWaalsContact O-CD2 3.3Å; K354-W358 PolarHBondContact O-N 3.08Å; K354-W358 PolarHBondContact O-NE1 3.37Å; K354-F451 HydrophobicContact CG-CD2 4Å; K354-F451 HydrophobicContact CG-CE2 3.95Å; K354-E454 VanDerWaalsContact CE-OE2 3.25Å; K354-E454 WeakPolarHBondContact CE-OE2 3.32Å; K354-E454 IonicContact NZ-OE1 2.64Å; K354-E454 PolarHBondContact NZ-OE1 3.43Å; K354-E454 IonicContact NZ-OE2 3.35Å; K354-E454 PolarHBondContact NZ-OE2 2.91Å
355	S	90.7	Very high	90.7	Very high	27 Å²	27	30.5 Å²	30.5	19%	0.189	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-41.6	-178.3	69.2	0	0	0	0	112.8	K305 E351 L352 W358 Q359	K305-S355 VanDerWaalsContact CE-OG 3.29Å; K305-S355 WeakPolarHBondContact CE-OG 3.2Å; E351-S355 VanDerWaalsContact O-CB 3.23Å; E351-S355 WeakPolarHBondContact O-CB 3.39Å; E351-S355 PolarHBondContact O-N 3.44Å; E351-S355 PolarHBondContact O-OG 2.96Å; E351-S355 VanDerWaalsContact O-OG 3.09Å; L352-S355 PolarHBondContact O-N 3.49Å; L352-S355 PolarHBondContact O-OG 3.24Å; S355-W358 PolarHBondContact O-N 3.29Å; S355-Q359 WeakPolarHBondContact O-CB 2.98Å; S355-Q359 PolarHBondContact O-N 2.88Å
356	T	89.4	Confident	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-42	176.6	-53.7	0	0	0	0	111.5	F308 M321 L325 L352 I353 K354 Q359 Q360	F308-T356 HydrophobicContact CB-CG2 4.32Å; M321-T356 HydrophobicContact CE-CG2 3.24Å; M321-T356 HydrophobicContact CG-CG2 3.91Å; M321-T356 HydrophobicContact SD-CG2 3.91Å; L325-T356 HydrophobicContact CD1-CG2 3.9Å; L325-T356 HydrophobicContact CD2-CG2 4.43Å; L352-T356 PolarHBondContact O-N 3.44Å; L352-T356 PolarHBondContact O-OG1 3.15Å; I353-T356 PolarHBondContact O-N 3.23Å; K354-T356 VanDerWaalsContact C-N 3.32Å; K354-T356 PolarHBondContact O-N 3.45Å; T356-Q359 PolarHBondContact O-N 3.27Å; T356-Q360 VanDerWaalsContact O-CG 3.31Å; T356-Q360 WeakPolarHBondContact O-CG 3.41Å; T356-Q360 PolarHBondContact O-N 3.46Å
357	A	90.5	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-44.3	175.3	0	0	0	0	0	111.7	I353 K354 Q360 I361 F438 F451 F455	I353-A357 VanDerWaalsContact O-CB 3.3Å; I353-A357 WeakPolarHBondContact O-CB 3.47Å; I353-A357 PolarHBondContact O-N 3.21Å; K354-A357 PolarHBondContact O-N 2.93Å; A357-Q360 WeakPolarHBondContact O-CB 3.34Å; A357-Q360 PolarHBondContact O-N 3.3Å; A357-I361 WeakPolarHBondContact O-CG1 3.4Å; A357-I361 PolarHBondContact O-N 2.95Å; A357-F438 HydrophobicContact CB-CD1 3.79Å; A357-F438 HydrophobicContact CB-CE1 4.07Å; A357-F438 HydrophobicContact CB-CG 4.31Å; A357-F451 HydrophobicContact CB-CZ 4.3Å; A357-F455 HydrophobicContact CB-CD2 4.41Å; A357-F455 HydrophobicContact CB-CE2 4.31Å
358	W	90.9	Very high	90.9	Very high	45 Å²	45	33 Å²	33	17%	0.17	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-42.8	176.5	-53.3	151.6	0	0	0	112.1	K354 S355 Q360 I361 H362 E454 F455 V458	K354-W358 HydrophobicContact CB-CZ2 4.26Å; K354-W358 HydrophobicContact CG-CZ2 4.23Å; K354-W358 VanDerWaalsContact O-CD2 3.3Å; K354-W358 PolarHBondContact O-N 3.08Å; K354-W358 PolarHBondContact O-NE1 3.37Å; S355-W358 PolarHBondContact O-N 3.29Å; W358-Q360 VanDerWaalsContact C-N 3.28Å; W358-Q360 PolarHBondContact O-N 2.82Å; W358-I361 HydrophobicContact CE3-CD1 3.65Å; W358-I361 HydrophobicContact CZ3-CD1 3.9Å; W358-I361 WeakPolarHBondContact O-CB 3.28Å; W358-I361 PolarHBondContact O-N 2.96Å; W358-I361 VanDerWaalsContact O-N 3.17Å; W358-H362 PolarHBondContact O-CD2 3.29Å; W358-H362 PolarHBondContact O-N 2.85Å; W358-E454 HydrophobicContact CH2-CB 4.33Å; W358-E454 HydrophobicContact CZ2-CB 4.33Å; W358-F455 HydrophobicContact CE3-CD2 4.35Å; W358-F455 HydrophobicContact CH2-CB 3.89Å; W358-F455 HydrophobicContact CH2-CD2 4.12Å; W358-F455 HydrophobicContact CH2-CG 4.42Å; W358-F455 HydrophobicContact CZ3-CB 3.97Å; W358-F455 AromaticContact CZ3-CD2 3.46Å; W358-F455 HydrophobicContact CZ3-CD2 3.46Å; W358-F455 VanDerWaalsContact CZ3-CD2 3.46Å; W358-F455 HydrophobicContact CZ3-CE2 4.26Å; W358-F455 HydrophobicContact CZ3-CG 4.01Å; W358-V458 HydrophobicContact CD2-CB 4.17Å; W358-V458 HydrophobicContact CD2-CG1 3.78Å; W358-V458 HydrophobicContact CD2-CG2 4.1Å; W358-V458 HydrophobicContact CE3-CB 3.66Å; W358-V458 HydrophobicContact CE3-CG1 3.42Å; W358-V458 VanDerWaalsContact CE3-CG1 3.42Å; W358-V458 HydrophobicContact CE3-CG2 4.04Å; W358-V458 HydrophobicContact CG-CG1 4.31Å; W358-V458 HydrophobicContact CH2-CB 3.96Å; W358-V458 HydrophobicContact CH2-CG2 3.83Å; W358-V458 HydrophobicContact CZ2-CB 4.41Å; W358-V458 HydrophobicContact CZ2-CG2 3.84Å; W358-V458 HydrophobicContact CZ3-CB 3.54Å; W358-V458 HydrophobicContact CZ3-CG1 3.87Å; W358-V458 HydrophobicContact CZ3-CG2 3.9Å
359	Q	89.7	Confident	91	Very high	50 Å²	50	33.5 Å²	33.5	23%	0.234	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-40.4	175.3	-171.6	178.4	1.9	0	0	111.6	S309 S355 T356 H362 L363	S309-Q359 VanDerWaalsContact CA-OE1 3.32Å; S309-Q359 PolarHBondContact O-NE2 3.22Å; S309-Q359 VanDerWaalsContact O-NE2 3.13Å; S309-Q359 PolarHBondContact OG-OE1 2.96Å; S355-Q359 WeakPolarHBondContact O-CB 2.98Å; S355-Q359 PolarHBondContact O-N 2.88Å; T356-Q359 PolarHBondContact O-N 3.27Å; Q359-H362 PolarHBondContact O-N 2.87Å; Q359-L363 HydrophobicContact CG-CD1 4.1Å; Q359-L363 WeakPolarHBondContact O-CD1 3.42Å; Q359-L363 VanDerWaalsContact O-CG 3.28Å; Q359-L363 WeakPolarHBondContact O-CG 3.34Å; Q359-L363 PolarHBondContact O-N 2.79Å
360	Q	90.2	Very high	90.9	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-39.1	175.5	-71.9	-66.6	-26.9	0	0	112.4	M321 T356 A357 W358 H362 L363 V364 L435 F438	M321-Q360 HydrophobicContact CG-CG 4.42Å; T356-Q360 VanDerWaalsContact O-CG 3.31Å; T356-Q360 WeakPolarHBondContact O-CG 3.41Å; T356-Q360 PolarHBondContact O-N 3.46Å; A357-Q360 WeakPolarHBondContact O-CB 3.34Å; A357-Q360 PolarHBondContact O-N 3.3Å; W358-Q360 VanDerWaalsContact C-N 3.28Å; W358-Q360 PolarHBondContact O-N 2.82Å; Q360-H362 VanDerWaalsContact C-N 3.34Å; Q360-H362 PolarHBondContact O-N 2.9Å; Q360-L363 PolarHBondContact O-N 3.37Å; Q360-V364 WeakPolarHBondContact O-CB 3.47Å; Q360-V364 WeakPolarHBondContact O-CG2 3.32Å; Q360-V364 PolarHBondContact O-N 3.02Å; Q360-L435 HydrophobicContact CB-CD2 4.49Å; Q360-F438 HydrophobicContact CB-CE2 4.08Å; Q360-F438 HydrophobicContact CB-CZ 4.13Å; Q360-F438 HydrophobicContact CG-CE2 4.25Å; Q360-F438 HydrophobicContact CG-CZ 3.88Å
361	I	91.3	Very high	90.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-46.9	172	-65.8	176.8	0	0	0	110.9	A357 W358 L363 V364 N365 L435 F455 V458 L459 D462 F463	A357-I361 WeakPolarHBondContact O-CG1 3.4Å; A357-I361 PolarHBondContact O-N 2.95Å; W358-I361 HydrophobicContact CE3-CD1 3.65Å; W358-I361 HydrophobicContact CZ3-CD1 3.9Å; W358-I361 WeakPolarHBondContact O-CB 3.28Å; W358-I361 PolarHBondContact O-N 2.96Å; W358-I361 VanDerWaalsContact O-N 3.17Å; I361-L363 PolarHBondContact O-N 3.31Å; I361-V364 PolarHBondContact O-N 3.11Å; I361-N365 WeakPolarHBondContact O-CB 3.48Å; I361-N365 PolarHBondContact O-N 2.56Å; I361-L435 HydrophobicContact CB-CD2 4.38Å; I361-L435 HydrophobicContact CG1-CD1 4.27Å; I361-L435 HydrophobicContact CG1-CD2 3.83Å; I361-F455 HydrophobicContact CD1-CD2 4.31Å; I361-F455 HydrophobicContact CD1-CE2 3.86Å; I361-F455 HydrophobicContact CD1-CZ 4.15Å; I361-F455 HydrophobicContact CG1-CE2 4.32Å; I361-F455 HydrophobicContact CG1-CZ 4.45Å; I361-V458 HydrophobicContact CD1-CB 4.43Å; I361-V458 HydrophobicContact CD1-CG1 3.98Å; I361-L459 HydrophobicContact CD1-CB 4.25Å; I361-L459 HydrophobicContact CD1-CD1 4.37Å; I361-L459 HydrophobicContact CG1-CD1 4.4Å; I361-L459 HydrophobicContact CG2-CD1 4.42Å; I361-D462 HydrophobicContact CG2-CB 4.11Å; I361-F463 HydrophobicContact CG2-CB 3.76Å
362	H	91.2	Very high	90.8	Very high	95 Å²	95	34.9 Å²	34.9	44%	0.44	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-41.3	178.9	-69.1	-60.1	0	0	0	112.9	W358 Q359 Q360 N365 Q366 D462	W358-H362 PolarHBondContact O-CD2 3.29Å; W358-H362 PolarHBondContact O-N 2.85Å; Q359-H362 PolarHBondContact O-N 2.87Å; Q360-H362 VanDerWaalsContact C-N 3.34Å; Q360-H362 PolarHBondContact O-N 2.9Å; H362-N365 PolarHBondContact O-N 3.46Å; H362-Q366 PolarHBondContact O-N 3.18Å; H362-D462 IonicContact CE1-OD2 3.53Å; H362-D462 PolarHBondContact CE1-OD2 2.87Å; H362-D462 IonicContact NE2-OD2 3.59Å
363	L	89.3	Confident	90.7	Very high	52 Å²	52	37.4 Å²	37.4	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-67.1	-44	178.6	-70	161.2	0	0	0	112.2	T314 Q359 Q360 I361 N365 Q366 S367	T314-L363 VanDerWaalsContact CB-CD1 3.47Å; T314-L363 HydrophobicContact CG2-CD1 3.68Å; Q359-L363 HydrophobicContact CG-CD1 4.1Å; Q359-L363 WeakPolarHBondContact O-CD1 3.42Å; Q359-L363 VanDerWaalsContact O-CG 3.28Å; Q359-L363 WeakPolarHBondContact O-CG 3.34Å; Q359-L363 PolarHBondContact O-N 2.79Å; Q360-L363 PolarHBondContact O-N 3.37Å; I361-L363 PolarHBondContact O-N 3.31Å; L363-N365 VanDerWaalsContact C-N 3.31Å; L363-N365 PolarHBondContact O-N 2.86Å; L363-Q366 PolarHBondContact O-N 3.02Å; L363-S367 WeakPolarHBondContact O-CB 3.41Å; L363-S367 PolarHBondContact O-N 3.36Å
364	V	90.4	Very high	90.4	Very high	21 Å²	21	41.7 Å²	41.7	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-37.8	176	171.6	0	0	0	0	110.8	Q360 I361 S367 A368 S431 A434 L435 F463	Q360-V364 WeakPolarHBondContact O-CB 3.47Å; Q360-V364 WeakPolarHBondContact O-CG2 3.32Å; Q360-V364 PolarHBondContact O-N 3.02Å; I361-V364 PolarHBondContact O-N 3.11Å; V364-S367 PolarHBondContact O-N 2.83Å; V364-A368 VanDerWaalsContact O-CB 3.26Å; V364-A368 WeakPolarHBondContact O-CB 3.45Å; V364-A368 PolarHBondContact O-N 3.34Å; V364-S431 VanDerWaalsContact CG1-CB 3.41Å; V364-A434 HydrophobicContact CG2-CB 4.33Å; V364-L435 HydrophobicContact CB-CD1 4.06Å; V364-L435 HydrophobicContact CB-CD2 3.99Å; V364-L435 HydrophobicContact CB-CG 4.11Å; V364-L435 HydrophobicContact CG1-CD1 3.81Å; V364-L435 HydrophobicContact CG1-CD2 4.43Å; V364-L435 HydrophobicContact CG1-CG 4Å; V364-L435 HydrophobicContact CG2-CD2 3.74Å; V364-L435 HydrophobicContact CG2-CG 4.1Å; V364-F463 HydrophobicContact CG1-CD2 4.48Å; V364-F463 HydrophobicContact CG1-CE2 4.17Å
365	N	92	Very high	90	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-48.3	172.3	-174.3	4.5	0	0	0	111.3	I361 H362 L363 S367 A368 N369 D462 F463	I361-N365 WeakPolarHBondContact O-CB 3.48Å; I361-N365 PolarHBondContact O-N 2.56Å; H362-N365 PolarHBondContact O-N 3.46Å; L363-N365 VanDerWaalsContact C-N 3.31Å; L363-N365 PolarHBondContact O-N 2.86Å; N365-S367 PolarHBondContact O-N 3.47Å; N365-A368 PolarHBondContact O-N 3.17Å; N365-N369 VanDerWaalsContact O-CG 3.27Å; N365-N369 PolarHBondContact O-N 3.18Å; N365-N369 PolarHBondContact O-ND2 3.02Å; N365-N369 VanDerWaalsContact O-ND2 3.11Å; N365-N369 PolarHBondContact OD1-ND2 3.22Å; N365-D462 PolarHBondContact ND2-O 2.85Å; N365-F463 HydrophobicContact CB-CD2 3.79Å
366	Q	91.7	Very high	89.7	Confident	117 Å²	117	40.4 Å²	40.4	55%	0.547	22%	0.219	S	C	.	.	H	α-helix	trans	-58.7	-47.4	177.2	-174.4	175.8	5.8	0	0	111.6	H362 L363 A368 N369 D370	H362-Q366 PolarHBondContact O-N 3.18Å; L363-Q366 PolarHBondContact O-N 3.02Å; Q366-A368 VanDerWaalsContact C-N 3.32Å; Q366-A368 PolarHBondContact O-N 3.11Å; Q366-N369 PolarHBondContact O-N 2.83Å; Q366-D370 VanDerWaalsContact O-CG 3.29Å; Q366-D370 PolarHBondContact O-N 3.39Å
367	S	89.9	Confident	89.4	Confident	68 Å²	68	45.5 Å²	45.5	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-37.4	177.2	179.2	0	0	0	0	112.7	L363 V364 N365 S371	L363-S367 WeakPolarHBondContact O-CB 3.41Å; L363-S367 PolarHBondContact O-N 3.36Å; V364-S367 PolarHBondContact O-N 2.83Å; N365-S367 PolarHBondContact O-N 3.47Å; S367-S371 VanDerWaalsContact O-CB 3.32Å; S367-S371 WeakPolarHBondContact O-CB 3.46Å; S367-S371 PolarHBondContact O-N 3.35Å; S367-S371 PolarHBondContact O-OG 3.29Å
368	A	91.7	Very high	88.7	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-42.5	175.7	0	0	0	0	0	111.3	V364 N365 Q366 S371 F372 N427 F463 F467	V364-A368 VanDerWaalsContact O-CB 3.26Å; V364-A368 WeakPolarHBondContact O-CB 3.45Å; V364-A368 PolarHBondContact O-N 3.34Å; N365-A368 PolarHBondContact O-N 3.17Å; Q366-A368 VanDerWaalsContact C-N 3.32Å; Q366-A368 PolarHBondContact O-N 3.11Å; A368-S371 PolarHBondContact O-N 3.2Å; A368-F372 WeakPolarHBondContact O-CB 3.39Å; A368-F372 PolarHBondContact O-N 3.23Å; A368-N427 PolarHBondContact O-ND2 3.31Å; A368-F463 HydrophobicContact CB-CE2 3.94Å; A368-F467 HydrophobicContact CB-CD2 3.86Å; A368-F467 HydrophobicContact CB-CE2 3.78Å
369	N	92.8	Very high	88	Confident	26 Å²	26	49 Å²	49	14%	0.139	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-48	175	-67.8	-33.1	0	0	0	111.2	N365 Q366 S371 F372 E373 F467 H470	N365-N369 VanDerWaalsContact O-CG 3.27Å; N365-N369 PolarHBondContact O-N 3.18Å; N365-N369 PolarHBondContact O-ND2 3.02Å; N365-N369 VanDerWaalsContact O-ND2 3.11Å; N365-N369 PolarHBondContact OD1-ND2 3.22Å; Q366-N369 PolarHBondContact O-N 2.83Å; N369-S371 VanDerWaalsContact C-N 3.29Å; N369-S371 PolarHBondContact O-N 3.37Å; N369-F372 WeakPolarHBondContact O-CB 3.48Å; N369-F372 PolarHBondContact O-N 3.44Å; N369-F372 VanDerWaalsContact O-N 3.12Å; N369-E373 PolarHBondContact O-N 2.89Å; N369-F467 VanDerWaalsContact OD1-CD2 3.31Å; N369-F467 WeakPolarHBondContact OD1-CD2 3.39Å; N369-H470 VanDerWaalsContact CG-CD2 3.48Å; N369-H470 WeakPolarHBondContact OD1-CB 3.26Å; N369-H470 PolarHBondContact OD1-CD2 3.26Å
370	D	91.3	Very high	87.5	Confident	90 Å²	90	49 Å²	49	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-41.7	177	-67.3	-21.7	0	0	0	111.4	Q366 E373 V374	Q366-D370 VanDerWaalsContact O-CG 3.29Å; Q366-D370 PolarHBondContact O-N 3.39Å; D370-E373 PolarHBondContact O-N 2.99Å; D370-V374 WeakPolarHBondContact O-CG2 3.41Å; D370-V374 PolarHBondContact O-N 3.49Å
371	S	89	Confident	86.8	Confident	54 Å²	54	54.7 Å²	54.7	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-38	176.8	-59.9	0	0	0	0	112.3	S367 A368 N369 A375	S367-S371 VanDerWaalsContact O-CB 3.32Å; S367-S371 WeakPolarHBondContact O-CB 3.46Å; S367-S371 PolarHBondContact O-N 3.35Å; S367-S371 PolarHBondContact O-OG 3.29Å; A368-S371 PolarHBondContact O-N 3.2Å; N369-S371 VanDerWaalsContact C-N 3.29Å; N369-S371 PolarHBondContact O-N 3.37Å; S371-A375 WeakPolarHBondContact O-CB 3.47Å; S371-A375 PolarHBondContact O-N 3.22Å
372	F	89.7	Confident	86	Confident	11 Å²	11	56.8 Å²	56.8	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-45.2	174	175	-98.8	0	0	0	111.2	A368 N369 V374 A375 F376 L424 F467 I471 M499	A368-F372 WeakPolarHBondContact O-CB 3.39Å; A368-F372 PolarHBondContact O-N 3.23Å; N369-F372 WeakPolarHBondContact O-CB 3.48Å; N369-F372 PolarHBondContact O-N 3.44Å; N369-F372 VanDerWaalsContact O-N 3.12Å; F372-V374 VanDerWaalsContact C-N 3.35Å; F372-V374 PolarHBondContact O-N 3Å; F372-A375 PolarHBondContact O-N 2.84Å; F372-F376 HydrophobicContact CZ-CD2 4.33Å; F372-F376 VanDerWaalsContact O-CB 3.22Å; F372-F376 WeakPolarHBondContact O-CB 3.2Å; F372-F376 PolarHBondContact O-N 2.78Å; F372-L424 HydrophobicContact CD2-CD1 4.33Å; F372-L424 HydrophobicContact CE2-CD1 4.07Å; F372-F467 HydrophobicContact CB-CE2 4.24Å; F372-F467 HydrophobicContact CB-CZ 4.48Å; F372-I471 HydrophobicContact CD1-CG1 4.27Å; F372-I471 HydrophobicContact CD2-CG1 4.05Å; F372-I471 HydrophobicContact CE1-CB 4.46Å; F372-I471 HydrophobicContact CE1-CG1 4.09Å; F372-I471 HydrophobicContact CE2-CG1 3.86Å; F372-I471 HydrophobicContact CE2-CG2 4.26Å; F372-I471 HydrophobicContact CG-CG1 4.25Å; F372-I471 HydrophobicContact CZ-CB 4.21Å; F372-I471 HydrophobicContact CZ-CG1 3.88Å; F372-I471 HydrophobicContact CZ-CG2 3.91Å; F372-M499 HydrophobicContact CZ-CE 4.49Å
373	E	88.4	Confident	85.2	Confident	52 Å²	52	52.4 Å²	52.4	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-40.5	177.1	-73.1	-61.7	148.8	0	0	112.3	N369 D370 F376 Q377 H470 S474	N369-E373 PolarHBondContact O-N 2.89Å; D370-E373 PolarHBondContact O-N 2.99Å; E373-F376 WeakPolarHBondContact O-CB 3.43Å; E373-F376 PolarHBondContact O-N 3.18Å; E373-Q377 VanDerWaalsContact O-CG 3.28Å; E373-Q377 WeakPolarHBondContact O-CG 3.43Å; E373-Q377 PolarHBondContact O-N 3.12Å; E373-H470 IonicContact OE1-CE1 2.67Å; E373-H470 IonicContact OE1-NE2 3.89Å; E373-H470 PolarHBondContact OE1-NE2 3.35Å; E373-S474 VanDerWaalsContact OE1-CB 3.27Å; E373-S474 WeakPolarHBondContact OE1-CB 3.38Å; E373-S474 PolarHBondContact OE1-OG 2.91Å
374	V	86.9	Confident	84.4	Confident	91 Å²	91	53.6 Å²	53.6	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-64.6	-45.3	173.9	172.2	0	0	0	0	111.3	D370 F372 F376 Q377 L378	D370-V374 WeakPolarHBondContact O-CG2 3.41Å; D370-V374 PolarHBondContact O-N 3.49Å; F372-V374 VanDerWaalsContact C-N 3.35Å; F372-V374 PolarHBondContact O-N 3Å; V374-F376 VanDerWaalsContact C-N 3.29Å; V374-F376 PolarHBondContact O-N 2.96Å; V374-Q377 PolarHBondContact O-N 3.5Å; V374-L378 WeakPolarHBondContact O-CB 3.31Å; V374-L378 PolarHBondContact O-N 2.54Å
375	A	83.4	Confident	83.5	Confident	32 Å²	32	57 Å²	57	26%	0.264	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-37.4	176.9	0	0	0	0	0	111.9	S371 F372 L378 G379	S371-A375 WeakPolarHBondContact O-CB 3.47Å; S371-A375 PolarHBondContact O-N 3.22Å; F372-A375 PolarHBondContact O-N 2.84Å; A375-L378 PolarHBondContact O-N 3.38Å; A375-G379 PolarHBondContact O-N 3.05Å
376	F	84.1	Confident	82.4	Confident	19 Å²	19	57.1 Å²	57.1	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-48.9	175.1	-176.7	-90.1	0	0	0	111.4	F372 E373 V374 G379 Q380 M420 C478 L492 L496	F372-F376 HydrophobicContact CZ-CD2 4.33Å; F372-F376 VanDerWaalsContact O-CB 3.22Å; F372-F376 WeakPolarHBondContact O-CB 3.2Å; F372-F376 PolarHBondContact O-N 2.78Å; E373-F376 WeakPolarHBondContact O-CB 3.43Å; E373-F376 PolarHBondContact O-N 3.18Å; V374-F376 VanDerWaalsContact C-N 3.29Å; V374-F376 PolarHBondContact O-N 2.96Å; F376-G379 PolarHBondContact O-N 2.72Å; F376-Q380 PolarHBondContact O-N 3.31Å; F376-M420 HydrophobicContact CD2-CE 4.36Å; F376-C478 VanDerWaalsContact CZ-SG 3.55Å; F376-L492 HydrophobicContact CZ-CD2 4.23Å; F376-L496 HydrophobicContact CD2-CD2 4.15Å; F376-L496 HydrophobicContact CE2-CD1 3.64Å; F376-L496 HydrophobicContact CE2-CD2 3.57Å; F376-L496 HydrophobicContact CE2-CG 4.21Å; F376-L496 HydrophobicContact CZ-CD1 3.92Å
377	Q	82.4	Confident	81.4	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-42.4	176.2	-71.5	174.2	15.8	0	0	112.5	E373 V374 G379 Q380 Q381	E373-Q377 VanDerWaalsContact O-CG 3.28Å; E373-Q377 WeakPolarHBondContact O-CG 3.43Å; E373-Q377 PolarHBondContact O-N 3.12Å; V374-Q377 PolarHBondContact O-N 3.5Å; Q377-G379 VanDerWaalsContact C-N 3.34Å; Q377-Q380 WeakPolarHBondContact O-CB 3.43Å; Q377-Q380 PolarHBondContact O-N 3.33Å; Q377-Q381 WeakPolarHBondContact O-CG 3.4Å; Q377-Q381 PolarHBondContact O-N 3.28Å; Q377-Q381 VanDerWaalsContact O-N 3.08Å
378	L	77.5	Confident	80.4	Confident	112 Å²	112	60.8 Å²	60.8	59%	0.586	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-40.2	176.6	-166.4	109.9	0	0	0	111.3	V374 A375 Q380 Q381 S382	V374-L378 WeakPolarHBondContact O-CB 3.31Å; V374-L378 PolarHBondContact O-N 2.54Å; A375-L378 PolarHBondContact O-N 3.38Å; L378-Q380 PolarHBondContact O-N 3.03Å; L378-Q381 WeakPolarHBondContact O-CB 3.37Å; L378-Q381 PolarHBondContact O-N 3.47Å; L378-S382 PolarHBondContact O-N 3.48Å
379	G	75.3	Confident	79.3	Confident	5 Å²	5	64.1 Å²	64.1	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-56.5	-48.3	172.4	0	0	0	0	0	111.5	A375 F376 Q377 Q381 S382 L383	A375-G379 PolarHBondContact O-N 3.05Å; F376-G379 PolarHBondContact O-N 2.72Å; Q377-G379 VanDerWaalsContact C-N 3.34Å; G379-Q381 VanDerWaalsContact C-N 3.3Å; G379-Q381 PolarHBondContact O-N 3.37Å; G379-S382 PolarHBondContact O-N 2.83Å; G379-S382 PolarHBondContact O-OG 3.02Å; G379-L383 VanDerWaalsContact O-CG 3.26Å; G379-L383 WeakPolarHBondContact O-CG 3.36Å; G379-L383 PolarHBondContact O-N 2.88Å
380	Q	78.8	Confident	78	Confident	51 Å²	51	64.7 Å²	64.7	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-38.6	175.9	-173.4	174.7	6.4	0	0	112.9	F376 Q377 L378 N384 L492	F376-Q380 PolarHBondContact O-N 3.31Å; Q377-Q380 WeakPolarHBondContact O-CB 3.43Å; Q377-Q380 PolarHBondContact O-N 3.33Å; L378-Q380 PolarHBondContact O-N 3.03Å; Q380-N384 PolarHBondContact O-N 3.16Å; Q380-N384 PolarHBondContact O-ND2 3.13Å; Q380-L492 HydrophobicContact CB-CD2 4.1Å; Q380-L492 HydrophobicContact CG-CD2 3.94Å
381	Q	76.3	Confident	76.8	Confident	127 Å²	127	65.3 Å²	65.3	59%	0.593	34%	0.336	S	S	*	.	H	α-helix	trans	-66.2	-48.6	175.4	-68.7	177.1	9.1	0	0	111.7	Q377 L378 G379 L383 N384	Q377-Q381 WeakPolarHBondContact O-CG 3.4Å; Q377-Q381 PolarHBondContact O-N 3.28Å; Q377-Q381 VanDerWaalsContact O-N 3.08Å; L378-Q381 WeakPolarHBondContact O-CB 3.37Å; L378-Q381 PolarHBondContact O-N 3.47Å; G379-Q381 VanDerWaalsContact C-N 3.3Å; G379-Q381 PolarHBondContact O-N 3.37Å; Q381-L383 PolarHBondContact O-N 3.17Å; Q381-N384 WeakPolarHBondContact O-CB 3.45Å; Q381-N384 PolarHBondContact O-N 2.83Å; Q381-N384 VanDerWaalsContact O-N 3.08Å
382	S	73	Confident	75.4	Confident	45 Å²	45	69.9 Å²	69.9	32%	0.315	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-30.4	178.8	74.3	0	0	0	0	113.1	L378 G379 N384 D385 C386	L378-S382 PolarHBondContact O-N 3.48Å; G379-S382 PolarHBondContact O-N 2.83Å; G379-S382 PolarHBondContact O-OG 3.02Å; S382-N384 VanDerWaalsContact C-N 3.33Å; S382-N384 PolarHBondContact O-N 3.23Å; S382-D385 WeakPolarHBondContact O-CB 3.34Å; S382-D385 PolarHBondContact O-N 3.35Å; S382-D385 VanDerWaalsContact O-N 3.16Å; S382-C386 PolarHBondContact O-N 3.13Å; S382-C386 PolarHBondContact O-SG 3.2Å
383	L	75.5	Confident	73.7	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-71.3	-28.3	177.9	-73.2	167.1	0	0	0	113.3	G379 Q381 D385 C386 K387 A416 L492 I495	G379-L383 VanDerWaalsContact O-CG 3.26Å; G379-L383 WeakPolarHBondContact O-CG 3.36Å; G379-L383 PolarHBondContact O-N 2.88Å; Q381-L383 PolarHBondContact O-N 3.17Å; L383-D385 PolarHBondContact O-N 2.99Å; L383-C386 PolarHBondContact O-N 3.39Å; L383-K387 WeakPolarHBondContact O-CB 3.33Å; L383-K387 PolarHBondContact O-N 3.23Å; L383-A416 HydrophobicContact CD2-CB 4.11Å; L383-L492 HydrophobicContact CD1-CB 3.79Å; L383-L492 HydrophobicContact CD1-CD1 3.6Å; L383-L492 HydrophobicContact CD1-CG 4.26Å; L383-I495 HydrophobicContact CD1-CD1 3.94Å; L383-I495 HydrophobicContact CD2-CD1 3.2Å; L383-I495 HydrophobicContact CG-CD1 4.14Å
384	N	73	Confident	72.1	Confident	78 Å²	78	76 Å²	76	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-33.7	171.4	-68.2	-39.9	0	0	0	111.2	Q380 Q381 S382 R388	Q380-N384 PolarHBondContact O-N 3.16Å; Q380-N384 PolarHBondContact O-ND2 3.13Å; Q381-N384 WeakPolarHBondContact O-CB 3.45Å; Q381-N384 PolarHBondContact O-N 2.83Å; Q381-N384 VanDerWaalsContact O-N 3.08Å; S382-N384 VanDerWaalsContact C-N 3.33Å; S382-N384 PolarHBondContact O-N 3.23Å; N384-R388 WeakPolarHBondContact O-CG 3.48Å; N384-R388 PolarHBondContact O-N 3.37Å
385	D	69.9	Low	70.2	Confident	91 Å²	91	75.9 Å²	75.9	49%	0.487	38%	0.38	S	S	.	.	H	α-helix	trans	-75.3	-39.5	174.8	-64.9	-32.3	0	0	0	111.8	S382 L383 K387 R388 Y389	S382-D385 WeakPolarHBondContact O-CB 3.34Å; S382-D385 PolarHBondContact O-N 3.35Å; S382-D385 VanDerWaalsContact O-N 3.16Å; L383-D385 PolarHBondContact O-N 2.99Å; D385-K387 VanDerWaalsContact C-N 3.3Å; D385-K387 PolarHBondContact O-N 3.37Å; D385-R388 WeakPolarHBondContact O-CB 3.39Å; D385-R388 PolarHBondContact O-N 3.03Å; D385-R388 VanDerWaalsContact O-N 3.1Å; D385-R388 IonicContact OD1-NH1 3.37Å; D385-R388 PolarHBondContact OD1-NH1 3.22Å; D385-Y389 PolarHBondContact O-N 3.04Å
386	C	68.7	Low	68.1	Low	21 Å²	21	82.4 Å²	82.4	14%	0.142	41%	0.409	C	S	.	.	H	α-helix	trans	-57.5	-44	171.1	-65.8	0	0	0	0	111.4	S382 L383 R388 Y389 I390 P412	S382-C386 PolarHBondContact O-N 3.13Å; S382-C386 PolarHBondContact O-SG 3.2Å; L383-C386 PolarHBondContact O-N 3.39Å; C386-R388 VanDerWaalsContact C-N 3.3Å; C386-R388 PolarHBondContact O-N 2.89Å; C386-Y389 WeakPolarHBondContact O-CB 3.3Å; C386-Y389 PolarHBondContact O-N 3.03Å; C386-I390 WeakPolarHBondContact O-CD1 3.31Å; C386-I390 VanDerWaalsContact O-CG1 3.27Å; C386-I390 WeakPolarHBondContact O-CG1 3.4Å; C386-I390 PolarHBondContact O-N 2.88Å; C386-P412 HydrophobicContact CB-CB 4.25Å
387	K	71.6	Confident	66.1	Low	98 Å²	98	85.3 Å²	85.3	43%	0.426	44%	0.436	S	S	.	.	H	α-helix	trans	-59.3	-41.6	175.9	-173.1	173.4	-178.4	172.6	0	111.6	L383 D385 V391 M491	L383-K387 WeakPolarHBondContact O-CB 3.33Å; L383-K387 PolarHBondContact O-N 3.23Å; D385-K387 VanDerWaalsContact C-N 3.3Å; D385-K387 PolarHBondContact O-N 3.37Å; K387-V391 VanDerWaalsContact O-CG2 3.24Å; K387-V391 WeakPolarHBondContact O-CG2 3.49Å; K387-V391 PolarHBondContact O-N 2.62Å; K387-V391 VanDerWaalsContact O-N 3.14Å; K387-M491 HydrophobicContact CB-CE 4.21Å; K387-M491 HydrophobicContact CB-SD 3.78Å; K387-M491 HydrophobicContact CG-CE 4Å; K387-M491 HydrophobicContact CG-SD 4.08Å
388	R	68.9	Low	63.9	Low	163 Å²	163	83.5 Å²	83.5	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-64.5	-44.1	175.4	-71.8	168.9	174.8	174.3	-3.7	111.6	N384 D385 C386 V391 Q392	N384-R388 WeakPolarHBondContact O-CG 3.48Å; N384-R388 PolarHBondContact O-N 3.37Å; D385-R388 WeakPolarHBondContact O-CB 3.39Å; D385-R388 PolarHBondContact O-N 3.03Å; D385-R388 VanDerWaalsContact O-N 3.1Å; D385-R388 IonicContact OD1-NH1 3.37Å; D385-R388 PolarHBondContact OD1-NH1 3.22Å; C386-R388 VanDerWaalsContact C-N 3.3Å; C386-R388 PolarHBondContact O-N 2.89Å; R388-V391 PolarHBondContact O-N 2.91Å; R388-Q392 WeakPolarHBondContact O-CB 3.13Å; R388-Q392 VanDerWaalsContact O-CG 3.29Å; R388-Q392 WeakPolarHBondContact O-CG 3.48Å; R388-Q392 PolarHBondContact O-N 2.97Å
389	Y	67.6	Low	61.8	Low	72 Å²	72	89 Å²	89	28%	0.282	44%	0.443	S	S	.	.	H	α-helix	trans	-59.6	-48.7	177.4	-178.9	-88	0	0	0	111.6	D385 C386 V391 Q392 H393 E410 P412	D385-Y389 PolarHBondContact O-N 3.04Å; C386-Y389 WeakPolarHBondContact O-CB 3.3Å; C386-Y389 PolarHBondContact O-N 3.03Å; Y389-V391 VanDerWaalsContact C-N 3.29Å; Y389-V391 PolarHBondContact O-N 3.45Å; Y389-Q392 PolarHBondContact O-N 3.23Å; Y389-Q392 VanDerWaalsContact O-N 3.12Å; Y389-H393 AromaticContact CD2-CD2 3.5Å; Y389-H393 AromaticContact CD2-NE2 3.83Å; Y389-H393 HydrophobicContact CE1-CB 4.23Å; Y389-H393 AromaticContact CE1-CD2 3.98Å; Y389-H393 AromaticContact CE2-CD2 3.38Å; Y389-H393 WeakPolarHBondContact CE2-CD2 3.23Å; Y389-H393 AromaticContact CE2-NE2 3.48Å; Y389-H393 WeakPolarHBondContact CE2-NE2 3.42Å; Y389-H393 AromaticContact CG-CD2 3.89Å; Y389-H393 AromaticContact CZ-CD2 3.63Å; Y389-H393 AromaticContact CZ-CG 3.97Å; Y389-H393 WeakPolarHBondContact O-CB 3.23Å; Y389-H393 PolarHBondContact O-CD2 3.08Å; Y389-H393 PolarHBondContact O-N 2.97Å; Y389-E410 PolarHBondContact OH-OE2 3.07Å; Y389-P412 HydrophobicContact CD1-CG 4.27Å
390	I	66.3	Low	60	Low	37 Å²	37	93.3 Å²	93.3	19%	0.19	47%	0.468	C	S	.	.	H	α-helix	trans	-61.5	-38.7	179.8	-66.1	162.1	0	0	0	111.4	C386 K394 P412 L413 M491	C386-I390 WeakPolarHBondContact O-CD1 3.31Å; C386-I390 VanDerWaalsContact O-CG1 3.27Å; C386-I390 WeakPolarHBondContact O-CG1 3.4Å; C386-I390 PolarHBondContact O-N 2.88Å; I390-K394 PolarHBondContact O-N 3.45Å; I390-P412 HydrophobicContact CD1-CG 4.21Å; I390-P412 HydrophobicContact CG1-CG 4.05Å; I390-L413 HydrophobicContact CD1-CD1 3.38Å; I390-M491 HydrophobicContact CD1-CE 3.83Å; I390-M491 HydrophobicContact CD1-SD 4.3Å
391	V	66.2	Low	57.8	Low	103 Å²	103	94.7 Å²	94.7	62%	0.624	50%	0.496	S	S	*	.	H	α-helix	trans	-68.8	-38.1	176.5	172.1	0	0	0	0	111.6	K387 R388 Y389	K387-V391 VanDerWaalsContact O-CG2 3.24Å; K387-V391 WeakPolarHBondContact O-CG2 3.49Å; K387-V391 PolarHBondContact O-N 2.62Å; K387-V391 VanDerWaalsContact O-N 3.14Å; R388-V391 PolarHBondContact O-N 2.91Å; Y389-V391 VanDerWaalsContact C-N 3.29Å; Y389-V391 PolarHBondContact O-N 3.45Å
392	Q	59.8	Low	55.5	Low	150 Å²	150	91.2 Å²	91.2	70%	0.701	49%	0.494	S	S	*	.	H	α-helix	trans	-72.5	-37.4	178.6	-73.7	175.9	8	0	0	112.7	R388 Y389	R388-Q392 WeakPolarHBondContact O-CB 3.13Å; R388-Q392 VanDerWaalsContact O-CG 3.29Å; R388-Q392 WeakPolarHBondContact O-CG 3.48Å; R388-Q392 PolarHBondContact O-N 2.97Å; Y389-Q392 PolarHBondContact O-N 3.23Å; Y389-Q392 VanDerWaalsContact O-N 3.12Å
393	H	54.6	Low	53.5	Low	111 Å²	111	97.2 Å²	97.2	51%	0.514	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	29.3	-179.3	-68.7	-86.8	0	0	0	112.4	Y389 P395	Y389-H393 AromaticContact CD2-CD2 3.5Å; Y389-H393 AromaticContact CD2-NE2 3.83Å; Y389-H393 HydrophobicContact CE1-CB 4.23Å; Y389-H393 AromaticContact CE1-CD2 3.98Å; Y389-H393 AromaticContact CE2-CD2 3.38Å; Y389-H393 WeakPolarHBondContact CE2-CD2 3.23Å; Y389-H393 AromaticContact CE2-NE2 3.48Å; Y389-H393 WeakPolarHBondContact CE2-NE2 3.42Å; Y389-H393 AromaticContact CG-CD2 3.89Å; Y389-H393 AromaticContact CZ-CD2 3.63Å; Y389-H393 AromaticContact CZ-CG 3.97Å; Y389-H393 WeakPolarHBondContact O-CB 3.23Å; Y389-H393 PolarHBondContact O-CD2 3.08Å; Y389-H393 PolarHBondContact O-N 2.97Å; H393-P395 WeakPolarHBondContact O-CD 3.39Å; H393-P395 VanDerWaalsContact O-N 3.1Å
394	K	53.4	Low	51.7	Low	80 Å²	80	105.4 Å²	105.4	35%	0.348	56%	0.561	S	S	.	*			trans	-50.8	120.3	179.2	-161.1	178.8	-171.1	-175.1	0	108.6	I390 L396 E588	I390-K394 PolarHBondContact O-N 3.45Å; K394-L396 PolarHBondContact O-N 3.24Å; K394-E588 IonicContact NZ-OE2 2.54Å; K394-E588 PolarHBondContact NZ-OE2 3.05Å
395	P	48.5	Very low	49.8	Very low	90 Å²	90	111.3 Å²	111.3	58%	0.584	58%	0.583	S	S	*	*			trans	-53.9	120.1	177.2	-24.1	32.1	0	0	0	108.8	H393 A397	H393-P395 WeakPolarHBondContact O-CD 3.39Å; H393-P395 VanDerWaalsContact O-N 3.1Å; P395-A397 PolarHBondContact O-N 2.9Å
396	L	39.4	Very low	48.3	Very low	169 Å²	169	112.5 Å²	112.5	89%	0.885	60%	0.598	S	S	*	*			trans	-61.5	105.9	-177.4	-82.1	158.4	0	0	0	109.6	K394	K394-L396 PolarHBondContact O-N 3.24Å
397	A	41.2	Very low	46.6	Very low	79 Å²	79	113.9 Å²	113.9	65%	0.653	62%	0.616	S	S	*	*			trans	48.7	124.8	158.5	0	0	0	0	0	117.6	P395 R399	P395-A397 PolarHBondContact O-N 2.9Å; A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 3.46Å
398	L	37	Very low	45.4	Very low	69 Å²	69	117.2 Å²	117.2	36%	0.361	64%	0.638	S	S	.	*			trans	-41.7	84.2	166.3	-73.7	151.2	0	0	0	112.5	V400 V587	L398-V400 PolarHBondContact O-N 3.47Å; L398-V587 HydrophobicContact CD1-CG1 3.8Å
399	R	33	Very low	44.7	Very low	227 Å²	227	115.1 Å²	115.1	86%	0.857	64%	0.643	S	S	*	*			trans	-87.4	106.8	167.1	-83.1	-170.9	174.3	-173.6	0.4	107.6	A397 G401	A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 3.46Å; R399-G401 PolarHBondContact O-N 3.17Å
400	V	37.3	Very low	44.6	Very low	97 Å²	97	117.7 Å²	117.7	59%	0.588	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	97.3	172.2	-177.6	0	0	0	0	108.9	L398	L398-V400 PolarHBondContact O-N 3.47Å
401	G	32.3	Very low	45.1	Very low	79 Å²	79	120.7 Å²	120.7	81%	0.814	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.8	29.7	166.4	0	0	0	0	0	117.9	R399	R399-G401 PolarHBondContact O-N 3.17Å
402	G	29	Very low	45.9	Very low	54 Å²	54	116.8 Å²	116.8	56%	0.557	65%	0.648	S	S	*	*			trans	-95.8	124.3	169.9	0	0	0	0	0	112.6	E404	G402-E404 VanDerWaalsContact C-N 3.33Å; G402-E404 PolarHBondContact O-N 2.92Å
403	N	30.8	Very low	47.1	Very low	172 Å²	172	109.6 Å²	109.6	92%	0.92	61%	0.614	S	S	*	*			trans	-59.7	93.7	164	-97.5	-2.5	0	0	0	108.9	K405	N403-K405 PolarHBondContact O-N 3.38Å; N403-K405 VanDerWaalsContact O-N 3.14Å
404	E	36.7	Very low	48.6	Very low	174 Å²	174	105.1 Å²	105.1	81%	0.813	60%	0.596	S	S	*	*			trans	-70.9	108.1	172.4	-72.4	-172.5	166.7	0	0	108.5	G402 S406	G402-E404 VanDerWaalsContact C-N 3.33Å; G402-E404 PolarHBondContact O-N 2.92Å; E404-S406 PolarHBondContact O-N 3.33Å; E404-S406 VanDerWaalsContact O-N 3.14Å
405	K	34.5	Very low	50.1	Low	202 Å²	202	105.2 Å²	105.2	88%	0.878	60%	0.604	S	S	*	*			trans	-59.4	115.4	164.9	-67.3	179.5	178	-179.4	0	106.4	N403 G407	N403-K405 PolarHBondContact O-N 3.38Å; N403-K405 VanDerWaalsContact O-N 3.14Å; K405-G407 PolarHBondContact O-N 3Å
406	S	37.7	Very low	51.8	Low	116 Å²	116	101.4 Å²	101.4	81%	0.811	58%	0.58	S	S	*	*			trans	-60.5	84.2	173.4	65.1	0	0	0	0	109.4	E404	E404-S406 PolarHBondContact O-N 3.33Å; E404-S406 VanDerWaalsContact O-N 3.14Å
407	G	33.4	Very low	54.2	Low	49 Å²	49	93.9 Å²	93.9	51%	0.505	54%	0.54	S	S	.	.			trans	-59.1	151	153.1	0	0	0	0	0	107.5	K405 V409	K405-G407 PolarHBondContact O-N 3Å; G407-V409 WeakPolarHBondContact O-CG2 3.34Å; G407-V409 PolarHBondContact O-N 3.33Å
408	N	45.6	Very low	56.4	Low	169 Å²	169	94.6 Å²	94.6	90%	0.904	53%	0.533	S	S	*	.			trans	-56.2	89.2	170.6	-80.6	-9.5	0	0	0	108.6	E410	N408-E410 PolarHBondContact O-N 3.13Å; N408-E410 VanDerWaalsContact O-N 3.12Å
409	V	55.3	Low	58.8	Low	118 Å²	118	95.5 Å²	95.5	72%	0.715	54%	0.541	S	S	*	.			trans	-72	108.4	173.9	-178.9	0	0	0	0	104.5	G407 Q411	G407-V409 WeakPolarHBondContact O-CG2 3.34Å; G407-V409 PolarHBondContact O-N 3.33Å; V409-Q411 PolarHBondContact O-N 3.43Å
410	E	64.1	Low	61.3	Low	127 Å²	127	85.7 Å²	85.7	59%	0.593	51%	0.506	S	S	*	.			trans	-53.3	126.5	172.2	-68.8	-179.6	160.6	0	0	108.1	Y389 N408 P412	Y389-E410 PolarHBondContact OH-OE2 3.07Å; N408-E410 PolarHBondContact O-N 3.13Å; N408-E410 VanDerWaalsContact O-N 3.12Å; E410-P412 VanDerWaalsContact C-CD 3.42Å; E410-P412 WeakPolarHBondContact O-CD 3.32Å
411	Q	78	Confident	63.9	Low	99 Å²	99	82.1 Å²	82.1	46%	0.463	48%	0.482	S	S	.	.			trans	-102.3	82.6	178.9	-65.9	-173.5	-10.1	0	0	109	V409 L413 A414 T415 Q599	V409-Q411 PolarHBondContact O-N 3.43Å; Q411-L413 VanDerWaalsContact C-N 3.34Å; Q411-L413 PolarHBondContact O-N 2.91Å; Q411-A414 HydrophobicContact CB-CB 3.89Å; Q411-A414 PolarHBondContact O-N 3.49Å; Q411-T415 PolarHBondContact O-N 3.3Å; Q411-T415 PolarHBondContact O-OG1 3.04Å; Q411-Q599 HydrophobicContact CB-CG 4.22Å; Q411-Q599 HydrophobicContact CG-CG 4.19Å
412	P	81.7	Confident	66.6	Low	21 Å²	21	83.1 Å²	83.1	14%	0.136	47%	0.469	C	S	.	.	H	α-helix	trans	-63.3	-36.9	-172.7	24.4	-35.1	0	0	0	112.7	C386 Y389 I390 E410 T415 A416	C386-P412 HydrophobicContact CB-CB 4.25Å; Y389-P412 HydrophobicContact CD1-CG 4.27Å; I390-P412 HydrophobicContact CD1-CG 4.21Å; I390-P412 HydrophobicContact CG1-CG 4.05Å; E410-P412 VanDerWaalsContact C-CD 3.42Å; E410-P412 WeakPolarHBondContact O-CD 3.32Å; P412-T415 PolarHBondContact O-N 3.06Å; P412-A416 WeakPolarHBondContact O-CB 3.29Å; P412-A416 PolarHBondContact O-N 2.74Å
413	L	84.9	Confident	69.4	Low	0 Å²	0	82.4 Å²	82.4	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-69.9	-43.4	179.8	-79.4	90.9	0	0	0	111.7	I390 Q411 T415 A416 L417 M491 L494 Q599 L600	I390-L413 HydrophobicContact CD1-CD1 3.38Å; Q411-L413 VanDerWaalsContact C-N 3.34Å; Q411-L413 PolarHBondContact O-N 2.91Å; L413-T415 PolarHBondContact O-N 3.03Å; L413-A416 PolarHBondContact O-N 3.06Å; L413-L417 PolarHBondContact O-N 3.4Å; L413-M491 HydrophobicContact CD2-CB 4.37Å; L413-M491 HydrophobicContact CD2-CG 4.44Å; L413-L494 HydrophobicContact CD2-CD2 4.39Å; L413-Q599 HydrophobicContact CB-CB 4.37Å; L413-L600 HydrophobicContact CB-CD1 4.19Å; L413-L600 HydrophobicContact CB-CD2 4.25Å; L413-L600 HydrophobicContact CB-CG 4.24Å; L413-L600 HydrophobicContact CD2-CD1 3.97Å
414	A	87	Confident	72.2	Confident	16 Å²	16	74.4 Å²	74.4	13%	0.132	42%	0.415	C	S	.	.	H	α-helix	trans	-60.4	-39.8	176.5	0	0	0	0	0	110.9	Q411 L417 L418 L600	Q411-A414 HydrophobicContact CB-CB 3.89Å; Q411-A414 PolarHBondContact O-N 3.49Å; A414-L417 PolarHBondContact O-N 3.03Å; A414-L418 WeakPolarHBondContact O-CB 3.38Å; A414-L418 VanDerWaalsContact O-CG 3.3Å; A414-L418 WeakPolarHBondContact O-CG 3.38Å; A414-L418 PolarHBondContact O-N 2.88Å; A414-L600 HydrophobicContact CB-CD2 4.45Å
415	T	85.4	Confident	74.7	Confident	83 Å²	83	67.4 Å²	67.4	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-66.9	-41.5	177.1	-52.1	0	0	0	0	111.6	Q411 P412 L413 L418 T419	Q411-T415 PolarHBondContact O-N 3.3Å; Q411-T415 PolarHBondContact O-OG1 3.04Å; P412-T415 PolarHBondContact O-N 3.06Å; L413-T415 PolarHBondContact O-N 3.03Å; T415-L418 PolarHBondContact O-N 3.46Å; T415-T419 WeakPolarHBondContact O-CB 3.31Å; T415-T419 PolarHBondContact O-N 3.49Å; T415-T419 PolarHBondContact O-OG1 3.24Å
416	A	84.4	Confident	77.4	Confident	10 Å²	10	60.1 Å²	60.1	8%	0.083	36%	0.361	C	S	.	.	H	α-helix	trans	-63.3	-45	176	0	0	0	0	0	111.9	L383 P412 L413 T419 M420 I495	L383-A416 HydrophobicContact CD2-CB 4.11Å; P412-A416 WeakPolarHBondContact O-CB 3.29Å; P412-A416 PolarHBondContact O-N 2.74Å; L413-A416 PolarHBondContact O-N 3.06Å; A416-T419 PolarHBondContact O-N 3.2Å; A416-M420 WeakPolarHBondContact O-CG 3.22Å; A416-M420 PolarHBondContact O-N 3.02Å; A416-I495 HydrophobicContact CB-CD1 4.04Å
417	L	88.5	Confident	79.9	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.058	33%	0.327	C	S	.	.	H	α-helix	trans	-57.2	-53.7	174.2	173.5	66.6	0	0	0	111.1	L413 A414 T419 M420 E421 I495 K498 M499 L600	L413-L417 PolarHBondContact O-N 3.4Å; A414-L417 PolarHBondContact O-N 3.03Å; L417-T419 PolarHBondContact O-N 3.15Å; L417-M420 PolarHBondContact O-N 2.93Å; L417-E421 HydrophobicContact CD1-CG 4.09Å; L417-E421 HydrophobicContact CG-CG 4.41Å; L417-E421 WeakPolarHBondContact O-CG 3.15Å; L417-E421 PolarHBondContact O-N 2.93Å; L417-I495 HydrophobicContact CB-CG2 4.26Å; L417-I495 HydrophobicContact CD1-CG2 3.95Å; L417-K498 HydrophobicContact CD2-CB 4.08Å; L417-K498 HydrophobicContact CD2-CG 3.43Å; L417-K498 VanDerWaalsContact CD2-CG 3.43Å; L417-M499 HydrophobicContact CD1-CB 3.71Å; L417-M499 HydrophobicContact CD1-CG 4.45Å; L417-L600 HydrophobicContact CB-CD2 4.1Å; L417-L600 HydrophobicContact CD2-CD2 3.82Å
418	L	88.7	Confident	82.7	Confident	93 Å²	93	53.2 Å²	53.2	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-35.9	179.1	-73.3	172.3	0	0	0	112.1	A414 T415 N422	A414-L418 WeakPolarHBondContact O-CB 3.38Å; A414-L418 VanDerWaalsContact O-CG 3.3Å; A414-L418 WeakPolarHBondContact O-CG 3.38Å; A414-L418 PolarHBondContact O-N 2.88Å; T415-L418 PolarHBondContact O-N 3.46Å; L418-N422 WeakPolarHBondContact O-CB 3.36Å; L418-N422 PolarHBondContact O-N 3.06Å; L418-N422 PolarHBondContact O-ND2 2.92Å
419	T	86.7	Confident	85	Confident	89 Å²	89	50.7 Å²	50.7	55%	0.546	28%	0.284	S	S	.	.	H	α-helix	trans	-66.8	-43.3	177.1	-55.5	0	0	0	0	111.2	T415 A416 L417 A423	T415-T419 WeakPolarHBondContact O-CB 3.31Å; T415-T419 PolarHBondContact O-N 3.49Å; T415-T419 PolarHBondContact O-OG1 3.24Å; A416-T419 PolarHBondContact O-N 3.2Å; L417-T419 PolarHBondContact O-N 3.15Å; T419-A423 WeakPolarHBondContact O-CB 3.49Å; T419-A423 PolarHBondContact O-N 2.76Å
420	M	85.5	Confident	86.7	Confident	21 Å²	21	49.2 Å²	49.2	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.8	-67.4	-174.7	94	0	0	111.7	F376 A416 L417 A423 L424 I495 M499	F376-M420 HydrophobicContact CD2-CE 4.36Å; A416-M420 WeakPolarHBondContact O-CG 3.22Å; A416-M420 PolarHBondContact O-N 3.02Å; L417-M420 PolarHBondContact O-N 2.93Å; M420-A423 PolarHBondContact O-N 3.35Å; M420-L424 WeakPolarHBondContact O-CB 3.28Å; M420-L424 PolarHBondContact O-N 3.04Å; M420-I495 HydrophobicContact SD-CG2 3.91Å; M420-M499 HydrophobicContact CB-SD 4.35Å
421	E	90.8	Very high	88	Confident	22 Å²	22	43.5 Å²	43.5	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-43	177.3	-70.3	-179.6	166.5	0	0	112.4	L417 A423 L424 L425 M499 D502 I507	L417-E421 HydrophobicContact CD1-CG 4.09Å; L417-E421 HydrophobicContact CG-CG 4.41Å; L417-E421 WeakPolarHBondContact O-CG 3.15Å; L417-E421 PolarHBondContact O-N 2.93Å; E421-A423 VanDerWaalsContact C-N 3.34Å; E421-L424 PolarHBondContact O-N 3.37Å; E421-L425 PolarHBondContact O-N 3.02Å; E421-M499 HydrophobicContact CG-CG 4.17Å; E421-D502 WeakPolarHBondContact OE1-CB 3.19Å; E421-I507 HydrophobicContact CB-CD1 4.09Å; E421-I507 HydrophobicContact CG-CD1 3.82Å
422	N	89.6	Confident	88.6	Confident	100 Å²	100	39.2 Å²	39.2	54%	0.535	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-38.1	176.1	-75.5	-37	0	0	0	111.7	L418 L425 A426	L418-N422 WeakPolarHBondContact O-CB 3.36Å; L418-N422 PolarHBondContact O-N 3.06Å; L418-N422 PolarHBondContact O-ND2 2.92Å; N422-L425 PolarHBondContact O-N 3.48Å; N422-A426 WeakPolarHBondContact O-CB 3.44Å; N422-A426 PolarHBondContact O-N 3.32Å
423	A	87.9	Confident	89	Confident	39 Å²	39	40.8 Å²	40.8	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-41.9	174.4	0	0	0	0	0	111.6	T419 M420 E421 A426 N427	T419-A423 WeakPolarHBondContact O-CB 3.49Å; T419-A423 PolarHBondContact O-N 2.76Å; M420-A423 PolarHBondContact O-N 3.35Å; E421-A423 VanDerWaalsContact C-N 3.34Å; A423-A426 PolarHBondContact O-N 2.96Å; A423-N427 VanDerWaalsContact O-CB 3.32Å; A423-N427 WeakPolarHBondContact O-CB 3.43Å; A423-N427 PolarHBondContact O-N 3.07Å
424	L	89.4	Confident	89.1	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-48.1	175.5	179.5	147.4	0	0	0	111.7	F372 M420 E421 A426 N427 V428 I471 I507	F372-L424 HydrophobicContact CD2-CD1 4.33Å; F372-L424 HydrophobicContact CE2-CD1 4.07Å; M420-L424 WeakPolarHBondContact O-CB 3.28Å; M420-L424 PolarHBondContact O-N 3.04Å; E421-L424 PolarHBondContact O-N 3.37Å; L424-A426 VanDerWaalsContact C-N 3.35Å; L424-A426 PolarHBondContact O-N 3.39Å; L424-N427 WeakPolarHBondContact O-CB 3.14Å; L424-N427 PolarHBondContact O-N 3.03Å; L424-V428 WeakPolarHBondContact O-CG2 3.46Å; L424-V428 PolarHBondContact O-N 3.22Å; L424-V428 VanDerWaalsContact O-N 3.07Å; L424-I471 HydrophobicContact CD1-CD1 3.53Å; L424-I471 HydrophobicContact CD1-CG1 4.29Å; L424-I471 HydrophobicContact CG-CD1 4.3Å; L424-I507 HydrophobicContact CD2-CG2 3.75Å
425	L	90.6	Very high	89.3	Confident	27 Å²	27	41.5 Å²	41.5	14%	0.141	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-39.5	176.4	-84.5	170	0	0	0	112.5	E421 N422 K429 I507 V511	E421-L425 PolarHBondContact O-N 3.02Å; N422-L425 PolarHBondContact O-N 3.48Å; L425-K429 WeakPolarHBondContact O-CB 3.14Å; L425-K429 VanDerWaalsContact O-CG 3.27Å; L425-K429 WeakPolarHBondContact O-CG 3.35Å; L425-K429 PolarHBondContact O-N 2.74Å; L425-I507 HydrophobicContact CD1-CG2 4.42Å; L425-I507 HydrophobicContact CD2-CG2 3.77Å; L425-I507 HydrophobicContact CG-CG2 3.9Å; L425-V511 HydrophobicContact CD2-CG2 4.05Å
426	A	90.9	Very high	89.6	Confident	49 Å²	49	38.5 Å²	38.5	41%	0.405	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-45	176.3	0	0	0	0	0	111	N422 A423 L424 K429 T430	N422-A426 WeakPolarHBondContact O-CB 3.44Å; N422-A426 PolarHBondContact O-N 3.32Å; A423-A426 PolarHBondContact O-N 2.96Å; L424-A426 VanDerWaalsContact C-N 3.35Å; L424-A426 PolarHBondContact O-N 3.39Å; A426-K429 PolarHBondContact O-N 3.05Å; A426-T430 WeakPolarHBondContact O-CG2 3.41Å; A426-T430 PolarHBondContact O-N 3.44Å; A426-T430 PolarHBondContact O-OG1 3.48Å; A426-T430 VanDerWaalsContact O-OG1 3.06Å
427	N	90.7	Very high	89.8	Confident	18 Å²	18	41.2 Å²	41.2	10%	0.096	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-51.3	177.8	-170	13.9	0	0	0	111.3	A368 A423 L424 K429 T430 S431	A368-N427 PolarHBondContact O-ND2 3.31Å; A423-N427 VanDerWaalsContact O-CB 3.32Å; A423-N427 WeakPolarHBondContact O-CB 3.43Å; A423-N427 PolarHBondContact O-N 3.07Å; L424-N427 WeakPolarHBondContact O-CB 3.14Å; L424-N427 PolarHBondContact O-N 3.03Å; N427-K429 VanDerWaalsContact C-N 3.34Å; N427-K429 PolarHBondContact O-N 2.95Å; N427-T430 WeakPolarHBondContact CA-OG1 3.46Å; N427-T430 PolarHBondContact O-N 3.26Å; N427-T430 PolarHBondContact O-OG1 3.49Å; N427-S431 PolarHBondContact O-N 3.4Å; N427-S431 PolarHBondContact O-OG 2.85Å
428	V	92.2	Very high	89.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-45	176.7	175.1	0	0	0	0	111.6	L424 T430 S431 F432 F467 V511	L424-V428 WeakPolarHBondContact O-CG2 3.46Å; L424-V428 PolarHBondContact O-N 3.22Å; L424-V428 VanDerWaalsContact O-N 3.07Å; V428-T430 PolarHBondContact O-N 2.95Å; V428-S431 PolarHBondContact O-N 2.89Å; V428-F432 HydrophobicContact CG1-CD2 3.98Å; V428-F432 HydrophobicContact CG1-CE1 4.44Å; V428-F432 HydrophobicContact CG1-CE2 3.76Å; V428-F432 HydrophobicContact CG1-CG 4.41Å; V428-F432 HydrophobicContact CG1-CZ 4Å; V428-F432 WeakPolarHBondContact O-CB 3.33Å; V428-F432 WeakPolarHBondContact O-CG 3.43Å; V428-F432 PolarHBondContact O-N 3Å; V428-F467 HydrophobicContact CG2-CD1 3.95Å; V428-F467 HydrophobicContact CG2-CE1 3.41Å; V428-F467 VanDerWaalsContact CG2-CE1 3.41Å; V428-F467 HydrophobicContact CG2-CZ 4.22Å; V428-V511 HydrophobicContact CG1-CB 4.5Å; V428-V511 HydrophobicContact CG1-CG1 3.67Å; V428-V511 HydrophobicContact CG1-CG2 3.97Å
429	K	92	Very high	89.8	Confident	117 Å²	117	37.5 Å²	37.5	51%	0.509	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-40.8	178.2	-76	174.8	179.8	-179.3	0	112.4	L425 A426 N427 F432 A433 L514	L425-K429 WeakPolarHBondContact O-CB 3.14Å; L425-K429 VanDerWaalsContact O-CG 3.27Å; L425-K429 WeakPolarHBondContact O-CG 3.35Å; L425-K429 PolarHBondContact O-N 2.74Å; A426-K429 PolarHBondContact O-N 3.05Å; N427-K429 VanDerWaalsContact C-N 3.34Å; N427-K429 PolarHBondContact O-N 2.95Å; K429-F432 PolarHBondContact O-N 2.91Å; K429-A433 WeakPolarHBondContact O-CB 3.08Å; K429-A433 PolarHBondContact O-N 2.84Å; K429-L514 HydrophobicContact CG-CD1 4.33Å
430	T	91	Very high	89.7	Confident	87 Å²	87	34.6 Å²	34.6	53%	0.534	21%	0.207	S	C	.	.	H	α-helix	trans	-68	-39.4	177.1	48	0	0	0	0	112.1	A426 N427 V428 A433 A434	A426-T430 WeakPolarHBondContact O-CG2 3.41Å; A426-T430 PolarHBondContact O-N 3.44Å; A426-T430 PolarHBondContact O-OG1 3.48Å; A426-T430 VanDerWaalsContact O-OG1 3.06Å; N427-T430 WeakPolarHBondContact CA-OG1 3.46Å; N427-T430 PolarHBondContact O-N 3.26Å; N427-T430 PolarHBondContact O-OG1 3.49Å; V428-T430 PolarHBondContact O-N 2.95Å; T430-A433 PolarHBondContact O-N 3.31Å; T430-A434 PolarHBondContact O-N 3.49Å
431	S	91.6	Very high	89.5	Confident	7 Å²	7	40.4 Å²	40.4	5%	0.049	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-46.2	174.2	-60.2	0	0	0	0	111.6	V364 N427 V428 A434 L435	V364-S431 VanDerWaalsContact CG1-CB 3.41Å; N427-S431 PolarHBondContact O-N 3.4Å; N427-S431 PolarHBondContact O-OG 2.85Å; V428-S431 PolarHBondContact O-N 2.89Å; S431-A434 PolarHBondContact O-N 3.38Å; S431-L435 VanDerWaalsContact O-CG 3.29Å; S431-L435 WeakPolarHBondContact O-CG 3.42Å; S431-L435 PolarHBondContact O-N 2.88Å
432	F	91.2	Very high	89.3	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-46.7	174	-82.2	-3.6	0	0	0	112.1	V428 K429 A434 L435 F436 L459 F463 L464 V511 L514	V428-F432 HydrophobicContact CG1-CD2 3.98Å; V428-F432 HydrophobicContact CG1-CE1 4.44Å; V428-F432 HydrophobicContact CG1-CE2 3.76Å; V428-F432 HydrophobicContact CG1-CG 4.41Å; V428-F432 HydrophobicContact CG1-CZ 4Å; V428-F432 WeakPolarHBondContact O-CB 3.33Å; V428-F432 WeakPolarHBondContact O-CG 3.43Å; V428-F432 PolarHBondContact O-N 3Å; K429-F432 PolarHBondContact O-N 2.91Å; F432-A434 VanDerWaalsContact C-N 3.29Å; F432-A434 PolarHBondContact O-N 3.44Å; F432-L435 PolarHBondContact O-N 3.45Å; F432-L435 VanDerWaalsContact O-N 3.17Å; F432-F436 VanDerWaalsContact C-CD2 3.48Å; F432-F436 HydrophobicContact CB-CD2 3.66Å; F432-F436 HydrophobicContact CB-CE2 3.42Å; F432-F436 VanDerWaalsContact CB-CE2 3.42Å; F432-F436 HydrophobicContact CB-CZ 4.46Å; F432-F436 AromaticContact CD1-CE2 3.99Å; F432-F436 HydrophobicContact CD1-CE2 3.99Å; F432-F436 HydrophobicContact CD1-CZ 4.24Å; F432-F436 AromaticContact CD2-CE2 3.86Å; F432-F436 HydrophobicContact CD2-CE2 3.86Å; F432-F436 HydrophobicContact CD2-CZ 4.45Å; F432-F436 HydrophobicContact CG-CD2 4.23Å; F432-F436 AromaticContact CG-CE2 3.5Å; F432-F436 HydrophobicContact CG-CE2 3.5Å; F432-F436 VanDerWaalsContact CG-CE2 3.5Å; F432-F436 HydrophobicContact CG-CZ 4.15Å; F432-F436 WeakPolarHBondContact O-CB 3.35Å; F432-F436 WeakPolarHBondContact O-CD2 3.44Å; F432-F436 VanDerWaalsContact O-CG 3.31Å; F432-F436 WeakPolarHBondContact O-CG 3.27Å; F432-F436 PolarHBondContact O-N 3.44Å; F432-L459 HydrophobicContact CE1-CD2 4.48Å; F432-F463 HydrophobicContact CD1-CD1 4.26Å; F432-F463 AromaticContact CD1-CE1 3.75Å; F432-F463 HydrophobicContact CD1-CE1 3.75Å; F432-F463 AromaticContact CE1-CD1 3.75Å; F432-F463 HydrophobicContact CE1-CD1 3.75Å; F432-F463 AromaticContact CE1-CE1 3.42Å; F432-F463 HydrophobicContact CE1-CE1 3.42Å; F432-F463 VanDerWaalsContact CE1-CE1 3.42Å; F432-F463 HydrophobicContact CZ-CE1 4.32Å; F432-L464 HydrophobicContact CZ-CD1 4.36Å; F432-V511 HydrophobicContact CE2-CG1 3.94Å; F432-V511 HydrophobicContact CZ-CG1 3.95Å; F432-L514 HydrophobicContact CD2-CB 4.46Å; F432-L514 HydrophobicContact CE2-CB 4.28Å
433	A	89.1	Confident	89.2	Confident	54 Å²	54	39.4 Å²	39.4	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-56.5	-44.1	176.3	0	0	0	0	0	111.8	K429 T430 L435 H437	K429-A433 WeakPolarHBondContact O-CB 3.08Å; K429-A433 PolarHBondContact O-N 2.84Å; T430-A433 PolarHBondContact O-N 3.31Å; A433-L435 PolarHBondContact O-N 3.46Å; A433-H437 PolarHBondContact O-CD2 2.91Å; A433-H437 PolarHBondContact O-NE2 2.85Å
434	A	88.9	Confident	89.2	Confident	30 Å²	30	39.1 Å²	39.1	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-38.8	178.1	0	0	0	0	0	113.2	V364 T430 S431 F432	V364-A434 HydrophobicContact CG2-CB 4.33Å; T430-A434 PolarHBondContact O-N 3.49Å; S431-A434 PolarHBondContact O-N 3.38Å; F432-A434 VanDerWaalsContact C-N 3.29Å; F432-A434 PolarHBondContact O-N 3.44Å
435	L	90.8	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-84.5	-34.8	-175.1	-66.1	175.3	0	0	0	113.2	Q360 I361 V364 S431 F432 A433 H437 F438 F455 L459 F463	Q360-L435 HydrophobicContact CB-CD2 4.49Å; I361-L435 HydrophobicContact CB-CD2 4.38Å; I361-L435 HydrophobicContact CG1-CD1 4.27Å; I361-L435 HydrophobicContact CG1-CD2 3.83Å; V364-L435 HydrophobicContact CB-CD1 4.06Å; V364-L435 HydrophobicContact CB-CD2 3.99Å; V364-L435 HydrophobicContact CB-CG 4.11Å; V364-L435 HydrophobicContact CG1-CD1 3.81Å; V364-L435 HydrophobicContact CG1-CD2 4.43Å; V364-L435 HydrophobicContact CG1-CG 4Å; V364-L435 HydrophobicContact CG2-CD2 3.74Å; V364-L435 HydrophobicContact CG2-CG 4.1Å; S431-L435 VanDerWaalsContact O-CG 3.29Å; S431-L435 WeakPolarHBondContact O-CG 3.42Å; S431-L435 PolarHBondContact O-N 2.88Å; F432-L435 PolarHBondContact O-N 3.45Å; F432-L435 VanDerWaalsContact O-N 3.17Å; A433-L435 PolarHBondContact O-N 3.46Å; L435-H437 PolarHBondContact O-N 2.89Å; L435-H437 VanDerWaalsContact O-N 3.15Å; L435-F438 WeakPolarHBondContact O-CD2 3.46Å; L435-F438 PolarHBondContact O-N 2.95Å; L435-F438 VanDerWaalsContact O-N 3.11Å; L435-F455 HydrophobicContact CB-CZ 4.27Å; L435-F455 WeakPolarHBondContact O-CZ 3.47Å; L435-L459 HydrophobicContact CB-CD1 4.3Å; L435-L459 HydrophobicContact CD1-CD1 3.4Å; L435-L459 VanDerWaalsContact CD1-CD1 3.4Å; L435-L459 HydrophobicContact CG-CD1 4.45Å; L435-F463 HydrophobicContact CD1-CD2 4.39Å; L435-F463 HydrophobicContact CD1-CG 4.31Å
436	F	90.5	Very high	88.9	Confident	20 Å²	20	39.5 Å²	39.5	9%	0.088	24%	0.237	C	C	.	.	H	α-helix	trans	-70.7	-10	-178.1	-70.1	-50.1	0	0	0	114.1	F432 F438 V439 A440 F455 L459 Q518	F432-F436 VanDerWaalsContact C-CD2 3.48Å; F432-F436 HydrophobicContact CB-CD2 3.66Å; F432-F436 HydrophobicContact CB-CE2 3.42Å; F432-F436 VanDerWaalsContact CB-CE2 3.42Å; F432-F436 HydrophobicContact CB-CZ 4.46Å; F432-F436 AromaticContact CD1-CE2 3.99Å; F432-F436 HydrophobicContact CD1-CE2 3.99Å; F432-F436 HydrophobicContact CD1-CZ 4.24Å; F432-F436 AromaticContact CD2-CE2 3.86Å; F432-F436 HydrophobicContact CD2-CE2 3.86Å; F432-F436 HydrophobicContact CD2-CZ 4.45Å; F432-F436 HydrophobicContact CG-CD2 4.23Å; F432-F436 AromaticContact CG-CE2 3.5Å; F432-F436 HydrophobicContact CG-CE2 3.5Å; F432-F436 VanDerWaalsContact CG-CE2 3.5Å; F432-F436 HydrophobicContact CG-CZ 4.15Å; F432-F436 WeakPolarHBondContact O-CB 3.35Å; F432-F436 WeakPolarHBondContact O-CD2 3.44Å; F432-F436 VanDerWaalsContact O-CG 3.31Å; F432-F436 WeakPolarHBondContact O-CG 3.27Å; F432-F436 PolarHBondContact O-N 3.44Å; F436-F438 PolarHBondContact O-N 3.07Å; F436-V439 PolarHBondContact O-N 3.18Å; F436-A440 PolarHBondContact O-N 3.31Å; F436-F455 HydrophobicContact CD1-CE1 4.47Å; F436-L459 HydrophobicContact CD1-CD2 4.4Å; F436-L459 HydrophobicContact CE1-CD2 3.52Å; F436-L459 HydrophobicContact CZ-CD2 3.83Å; F436-Q518 HydrophobicContact CB-CG 4Å; F436-Q518 HydrophobicContact CD1-CB 4.33Å; F436-Q518 HydrophobicContact CD1-CG 3.72Å; F436-Q518 HydrophobicContact CD2-CB 4.03Å; F436-Q518 HydrophobicContact CD2-CG 3.34Å; F436-Q518 HydrophobicContact CE1-CB 4.05Å; F436-Q518 HydrophobicContact CE1-CG 3.95Å; F436-Q518 HydrophobicContact CE2-CB 3.64Å; F436-Q518 HydrophobicContact CE2-CG 3.52Å; F436-Q518 HydrophobicContact CG-CB 4.34Å; F436-Q518 HydrophobicContact CG-CG 3.42Å; F436-Q518 VanDerWaalsContact CG-CG 3.42Å; F436-Q518 HydrophobicContact CZ-CB 3.68Å; F436-Q518 HydrophobicContact CZ-CG 3.85Å
437	H	89.5	Confident	88.5	Confident	67 Å²	67	42.4 Å²	42.4	31%	0.31	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-58	-26.6	166.8	-68.6	-52.9	0	0	0	113.3	F319 A322 A433 L435 V439 A440 L443	F319-H437 AromaticContact CD2-CE1 3.97Å; F319-H437 AromaticContact CD2-ND1 3.72Å; A322-H437 HydrophobicContact CB-CB 4.29Å; A433-H437 PolarHBondContact O-CD2 2.91Å; A433-H437 PolarHBondContact O-NE2 2.85Å; L435-H437 PolarHBondContact O-N 2.89Å; L435-H437 VanDerWaalsContact O-N 3.15Å; H437-V439 VanDerWaalsContact C-N 3.25Å; H437-V439 PolarHBondContact O-N 3.49Å; H437-A440 WeakPolarHBondContact O-CB 3.44Å; H437-A440 PolarHBondContact O-N 2.91Å; H437-L443 WeakPolarHBondContact O-CD1 3.21Å
438	F	89.3	Confident	87.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-75.2	-12.5	176.7	-71.9	-90.8	0	0	0	113.9	M321 A322 L325 A357 Q360 L435 F436 F445 F455	M321-F438 HydrophobicContact CB-CZ 4.1Å; M321-F438 HydrophobicContact CG-CE1 4.42Å; M321-F438 HydrophobicContact CG-CZ 3.98Å; A322-F438 HydrophobicContact CB-CD1 4.06Å; A322-F438 HydrophobicContact CB-CD2 4.48Å; A322-F438 HydrophobicContact CB-CE1 4.16Å; A322-F438 HydrophobicContact CB-CG 4.22Å; A322-F438 HydrophobicContact CB-CZ 4.39Å; L325-F438 HydrophobicContact CD1-CE1 3.81Å; A357-F438 HydrophobicContact CB-CD1 3.79Å; A357-F438 HydrophobicContact CB-CE1 4.07Å; A357-F438 HydrophobicContact CB-CG 4.31Å; Q360-F438 HydrophobicContact CB-CE2 4.08Å; Q360-F438 HydrophobicContact CB-CZ 4.13Å; Q360-F438 HydrophobicContact CG-CE2 4.25Å; Q360-F438 HydrophobicContact CG-CZ 3.88Å; L435-F438 WeakPolarHBondContact O-CD2 3.46Å; L435-F438 PolarHBondContact O-N 2.95Å; L435-F438 VanDerWaalsContact O-N 3.11Å; F436-F438 PolarHBondContact O-N 3.07Å; F438-F445 WeakPolarHBondContact O-CE2 3.39Å; F438-F455 HydrophobicContact CB-CD2 4.32Å; F438-F455 HydrophobicContact CB-CE2 3.72Å; F438-F455 HydrophobicContact CB-CZ 4.07Å; F438-F455 HydrophobicContact CG-CE2 4.27Å
439	V	87.3	Confident	86.8	Confident	27 Å²	27	50.5 Å²	50.5	16%	0.164	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-115.7	16.7	179.5	-168.5	0	0	0	0	111	F436 H437 T441 T452 F455	F436-V439 PolarHBondContact O-N 3.18Å; H437-V439 VanDerWaalsContact C-N 3.25Å; H437-V439 PolarHBondContact O-N 3.49Å; V439-T441 PolarHBondContact O-N 3.48Å; V439-T452 HydrophobicContact CG1-CG2 3.73Å; V439-F455 HydrophobicContact CG2-CB 4.32Å; V439-F455 HydrophobicContact CG2-CD1 3.29Å; V439-F455 HydrophobicContact CG2-CD2 4.4Å; V439-F455 HydrophobicContact CG2-CE1 3.58Å; V439-F455 HydrophobicContact CG2-CG 3.75Å; V439-F455 HydrophobicContact CG2-CZ 4.27Å
440	A	85.9	Confident	86.3	Confident	28 Å²	28	46 Å²	46	23%	0.231	29%	0.287	C	S	.	.			trans	-64.8	132.8	176.8	0	0	0	0	0	111	F436 H437 D442 L443 L446	F436-A440 PolarHBondContact O-N 3.31Å; H437-A440 WeakPolarHBondContact O-CB 3.44Å; H437-A440 PolarHBondContact O-N 2.91Å; A440-D442 VanDerWaalsContact CB-OD1 3.23Å; A440-D442 WeakPolarHBondContact CB-OD1 3.26Å; A440-D442 PolarHBondContact O-N 3.33Å; A440-L443 HydrophobicContact CB-CD1 4.01Å; A440-L443 HydrophobicContact CB-CG 4.18Å; A440-L443 WeakPolarHBondContact O-CB 3.06Å; A440-L443 VanDerWaalsContact O-CG 3.3Å; A440-L443 WeakPolarHBondContact O-CG 3.4Å; A440-L443 PolarHBondContact O-N 3.41Å; A440-L443 VanDerWaalsContact O-N 3.15Å; A440-L446 WeakPolarHBondContact O-CD1 3.13Å
441	T	81	Confident	86.2	Confident	143 Å²	143	42 Å²	42	88%	0.877	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.1	-170.2	52.9	0	0	0	0	114.8	V439	V439-T441 PolarHBondContact O-N 3.48Å
442	D	85.1	Confident	85.9	Confident	91 Å²	91	44.3 Å²	44.3	49%	0.487	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.7	-179.1	65.2	-48.4	0	0	0	114.1	R330 A440	R330-D442 PolarHBondContact NH2-O 3.05Å; A440-D442 VanDerWaalsContact CB-OD1 3.23Å; A440-D442 WeakPolarHBondContact CB-OD1 3.26Å; A440-D442 PolarHBondContact O-N 3.33Å
443	L	88.3	Confident	85.7	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.052	31%	0.305	C	S	.	.			trans	-83.8	129.7	-178	-59.3	171.8	0	0	0	111.7	D326 H437 A440 F445 L446	D326-L443 HydrophobicContact CB-CD2 3.68Å; H437-L443 WeakPolarHBondContact O-CD1 3.21Å; A440-L443 HydrophobicContact CB-CD1 4.01Å; A440-L443 HydrophobicContact CB-CG 4.18Å; A440-L443 WeakPolarHBondContact O-CB 3.06Å; A440-L443 VanDerWaalsContact O-CG 3.3Å; A440-L443 WeakPolarHBondContact O-CG 3.4Å; A440-L443 PolarHBondContact O-N 3.41Å; A440-L443 VanDerWaalsContact O-N 3.15Å; L443-F445 HydrophobicContact CB-CD1 4.43Å; L443-F445 HydrophobicContact CB-CE1 4.12Å; L443-F445 HydrophobicContact CB-CE2 4.41Å; L443-F445 HydrophobicContact CB-CZ 4.13Å; L443-F445 HydrophobicContact CD1-CE1 4.14Å; L443-F445 HydrophobicContact CD1-CE2 4.16Å; L443-F445 HydrophobicContact CD1-CZ 3.59Å; L443-F445 HydrophobicContact CD2-CE1 4.3Å; L443-F445 HydrophobicContact CG-CE1 4.43Å; L443-F445 HydrophobicContact CG-CZ 4.32Å; L443-L446 HydrophobicContact CB-CD1 4.08Å; L443-L446 HydrophobicContact CB-CG 4.04Å; L443-L446 PolarHBondContact O-N 3.47Å
444	S	87.4	Confident	85.7	Confident	33 Å²	33	52 Å²	52	23%	0.231	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-73.3	-29	-175.4	-61.9	0	0	0	0	113.3	D326 R330 L446 T447	D326-S444 WeakPolarHBondContact OD1-CB 3.46Å; D326-S444 PolarHBondContact OD1-N 2.94Å; D326-S444 PolarHBondContact OD1-OG 2.76Å; R330-S444 WeakPolarHBondContact CG-OG 3.36Å; R330-S444 PolarHBondContact NE-OG 2.92Å; R330-S444 PolarHBondContact NH2-OG 2.99Å; S444-L446 PolarHBondContact O-N 2.83Å; S444-T447 WeakPolarHBondContact O-CB 3.39Å; S444-T447 WeakPolarHBondContact O-CG2 3.24Å; S444-T447 PolarHBondContact O-N 3.01Å; S444-T447 PolarHBondContact O-OG1 3.01Å
445	F	88.1	Confident	85.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.2	178	58.5	-107.2	0	0	0	113.7	L325 D326 Y329 M350 I353 F438 L443 T447 Q448 F451	L325-F445 HydrophobicContact CB-CE1 4.39Å; D326-F445 HydrophobicContact CB-CD1 4.06Å; D326-F445 HydrophobicContact CB-CE1 3.91Å; Y329-F445 HydrophobicContact CD1-CB 3.56Å; Y329-F445 VanDerWaalsContact CE1-CA 3.46Å; Y329-F445 HydrophobicContact CE1-CB 3.83Å; Y329-F445 HydrophobicContact CG-CB 4Å; M350-F445 HydrophobicContact CE-CB 3.91Å; I353-F445 HydrophobicContact CD1-CB 3.71Å; I353-F445 HydrophobicContact CD1-CD1 4.05Å; I353-F445 HydrophobicContact CD1-CG 3.96Å; I353-F445 HydrophobicContact CG2-CD1 4.36Å; I353-F445 HydrophobicContact CG2-CD2 4.06Å; I353-F445 HydrophobicContact CG2-CE1 4.36Å; I353-F445 HydrophobicContact CG2-CE2 4.07Å; I353-F445 HydrophobicContact CG2-CG 4.2Å; I353-F445 HydrophobicContact CG2-CZ 4.19Å; F438-F445 WeakPolarHBondContact O-CE2 3.39Å; L443-F445 HydrophobicContact CB-CD1 4.43Å; L443-F445 HydrophobicContact CB-CE1 4.12Å; L443-F445 HydrophobicContact CB-CE2 4.41Å; L443-F445 HydrophobicContact CB-CZ 4.13Å; L443-F445 HydrophobicContact CD1-CE1 4.14Å; L443-F445 HydrophobicContact CD1-CE2 4.16Å; L443-F445 HydrophobicContact CD1-CZ 3.59Å; L443-F445 HydrophobicContact CD2-CE1 4.3Å; L443-F445 HydrophobicContact CG-CE1 4.43Å; L443-F445 HydrophobicContact CG-CZ 4.32Å; F445-T447 PolarHBondContact O-N 3.45Å; F445-Q448 PolarHBondContact O-N 3.27Å; F445-F451 HydrophobicContact CD2-CD1 4.46Å; F445-F451 HydrophobicContact CD2-CE1 4.37Å; F445-F451 HydrophobicContact CD2-CZ 4.49Å; F445-F451 HydrophobicContact CE2-CD1 4.29Å; F445-F451 AromaticContact CE2-CE1 3.81Å; F445-F451 HydrophobicContact CE2-CE1 3.81Å; F445-F451 AromaticContact CE2-CZ 3.97Å; F445-F451 HydrophobicContact CE2-CZ 3.97Å
446	L	85.2	Confident	85.7	Confident	39 Å²	39	50.6 Å²	50.6	20%	0.204	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-71	-10.6	174	-61.9	-178.4	0	0	0	113.5	A440 L443 S444 Q448 F451 T452	A440-L446 WeakPolarHBondContact O-CD1 3.13Å; L443-L446 HydrophobicContact CB-CD1 4.08Å; L443-L446 HydrophobicContact CB-CG 4.04Å; L443-L446 PolarHBondContact O-N 3.47Å; S444-L446 PolarHBondContact O-N 2.83Å; L446-Q448 PolarHBondContact O-N 2.81Å; L446-F451 HydrophobicContact CD2-CD1 3.36Å; L446-F451 HydrophobicContact CD2-CE1 3.89Å; L446-F451 HydrophobicContact CD2-CG 4.26Å; L446-T452 HydrophobicContact CD2-CG2 3.91Å
447	T	82.5	Confident	85.6	Confident	110 Å²	110	53 Å²	53	68%	0.675	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-65.4	-22.1	172.6	57.4	0	0	0	0	112.5	S444 F445 S449	S444-T447 WeakPolarHBondContact O-CB 3.39Å; S444-T447 WeakPolarHBondContact O-CG2 3.24Å; S444-T447 PolarHBondContact O-N 3.01Å; S444-T447 PolarHBondContact O-OG1 3.01Å; F445-T447 PolarHBondContact O-N 3.45Å; T447-S449 PolarHBondContact O-N 3.36Å
448	Q	76.8	Confident	85.8	Confident	68 Å²	68	50.3 Å²	50.3	32%	0.318	30%	0.299	S	S	.	.	S	Bend	trans	-75.2	119.9	172.5	-70.2	-70.9	-15.4	0	0	109.9	M350 F445 L446 G450	M350-Q448 HydrophobicContact CE-CG 4.07Å; M350-Q448 HydrophobicContact CG-CG 4.41Å; M350-Q448 HydrophobicContact SD-CB 4.09Å; M350-Q448 HydrophobicContact SD-CG 3.96Å; F445-Q448 PolarHBondContact O-N 3.27Å; L446-Q448 PolarHBondContact O-N 2.81Å; Q448-G450 PolarHBondContact O-N 2.78Å
449	S	71.1	Confident	85.9	Confident	121 Å²	121	50.3 Å²	50.3	85%	0.846	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	131.7	-176.7	56.2	0	0	0	0	111.8	T447	T447-S449 PolarHBondContact O-N 3.36Å
450	G	82.3	Confident	86.1	Confident	22 Å²	22	50.5 Å²	50.5	23%	0.227	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	-12.9	170.4	0	0	0	0	0	115.9	Q448 T452 E453 E454	Q448-G450 PolarHBondContact O-N 2.78Å; G450-T452 VanDerWaalsContact C-N 3.34Å; G450-T452 PolarHBondContact O-N 3.23Å; G450-E453 PolarHBondContact O-N 3.41Å; G450-E454 WeakPolarHBondContact O-CB 3.33Å; G450-E454 WeakPolarHBondContact O-CG 3.46Å; G450-E454 PolarHBondContact O-N 3.13Å
451	F	87.6	Confident	86.3	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-43.5	179.3	179.5	-89	0	0	0	112.4	I353 K354 A357 F445 L446 E454 F455	I353-F451 HydrophobicContact CG2-CE2 3.92Å; I353-F451 HydrophobicContact CG2-CZ 4.24Å; K354-F451 HydrophobicContact CG-CD2 4Å; K354-F451 HydrophobicContact CG-CE2 3.95Å; A357-F451 HydrophobicContact CB-CZ 4.3Å; F445-F451 HydrophobicContact CD2-CD1 4.46Å; F445-F451 HydrophobicContact CD2-CE1 4.37Å; F445-F451 HydrophobicContact CD2-CZ 4.49Å; F445-F451 HydrophobicContact CE2-CD1 4.29Å; F445-F451 AromaticContact CE2-CE1 3.81Å; F445-F451 HydrophobicContact CE2-CE1 3.81Å; F445-F451 AromaticContact CE2-CZ 3.97Å; F445-F451 HydrophobicContact CE2-CZ 3.97Å; L446-F451 HydrophobicContact CD2-CD1 3.36Å; L446-F451 HydrophobicContact CD2-CE1 3.89Å; L446-F451 HydrophobicContact CD2-CG 4.26Å; F451-E454 PolarHBondContact O-N 2.9Å; F451-F455 HydrophobicContact CD1-CB 4.48Å; F451-F455 HydrophobicContact CE1-CB 4.22Å; F451-F455 HydrophobicContact CE1-CD2 4.26Å; F451-F455 HydrophobicContact CE1-CG 4.47Å; F451-F455 HydrophobicContact CZ-CD2 4.25Å; F451-F455 WeakPolarHBondContact O-CB 3.43Å; F451-F455 PolarHBondContact O-N 2.89Å
452	T	86.6	Confident	86.9	Confident	54 Å²	54	50 Å²	50	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-40.8	-179.2	51.8	0	0	0	0	112.4	V439 L446 G450 F455 A456	V439-T452 HydrophobicContact CG1-CG2 3.73Å; L446-T452 HydrophobicContact CD2-CG2 3.91Å; G450-T452 VanDerWaalsContact C-N 3.34Å; G450-T452 PolarHBondContact O-N 3.23Å; T452-F455 PolarHBondContact O-N 3.21Å; T452-A456 WeakPolarHBondContact O-CB 3.5Å; T452-A456 PolarHBondContact O-N 3.32Å
453	E	85.7	Confident	87.3	Confident	140 Å²	140	45.7 Å²	45.7	65%	0.654	25%	0.252	S	S	*	.	H	α-helix	trans	-68.7	-44.4	178	-65.4	178.1	-179.1	0	0	111.3	G450 F455 A456 S457	G450-E453 PolarHBondContact O-N 3.41Å; E453-F455 VanDerWaalsContact C-N 3.3Å; E453-F455 PolarHBondContact O-N 3.47Å; E453-A456 PolarHBondContact O-N 2.94Å; E453-S457 WeakPolarHBondContact O-CB 3.48Å; E453-S457 PolarHBondContact O-N 3.18Å
454	E	89.5	Confident	87.5	Confident	83 Å²	83	45.2 Å²	45.2	39%	0.388	25%	0.25	S	C	.	.	H	α-helix	trans	-61.5	-41.3	172.7	-73.6	-176.5	-140.7	0	0	111.1	K354 W358 G450 F451 S457 V458	K354-E454 VanDerWaalsContact CE-OE2 3.25Å; K354-E454 WeakPolarHBondContact CE-OE2 3.32Å; K354-E454 IonicContact NZ-OE1 2.64Å; K354-E454 PolarHBondContact NZ-OE1 3.43Å; K354-E454 IonicContact NZ-OE2 3.35Å; K354-E454 PolarHBondContact NZ-OE2 2.91Å; W358-E454 HydrophobicContact CH2-CB 4.33Å; W358-E454 HydrophobicContact CZ2-CB 4.33Å; G450-E454 WeakPolarHBondContact O-CB 3.33Å; G450-E454 WeakPolarHBondContact O-CG 3.46Å; G450-E454 PolarHBondContact O-N 3.13Å; F451-E454 PolarHBondContact O-N 2.9Å; E454-S457 PolarHBondContact O-N 2.8Å; E454-V458 WeakPolarHBondContact O-CG2 3.19Å; E454-V458 PolarHBondContact O-N 3.11Å
455	F	90.5	Very high	87.8	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-45.9	179.4	-176	-84.3	0	0	0	112.5	A357 W358 I361 L435 F436 F438 V439 F451 T452 E453 S457 V458 L459	A357-F455 HydrophobicContact CB-CD2 4.41Å; A357-F455 HydrophobicContact CB-CE2 4.31Å; W358-F455 HydrophobicContact CE3-CD2 4.35Å; W358-F455 HydrophobicContact CH2-CB 3.89Å; W358-F455 HydrophobicContact CH2-CD2 4.12Å; W358-F455 HydrophobicContact CH2-CG 4.42Å; W358-F455 HydrophobicContact CZ3-CB 3.97Å; W358-F455 AromaticContact CZ3-CD2 3.46Å; W358-F455 HydrophobicContact CZ3-CD2 3.46Å; W358-F455 VanDerWaalsContact CZ3-CD2 3.46Å; W358-F455 HydrophobicContact CZ3-CE2 4.26Å; W358-F455 HydrophobicContact CZ3-CG 4.01Å; I361-F455 HydrophobicContact CD1-CD2 4.31Å; I361-F455 HydrophobicContact CD1-CE2 3.86Å; I361-F455 HydrophobicContact CD1-CZ 4.15Å; I361-F455 HydrophobicContact CG1-CE2 4.32Å; I361-F455 HydrophobicContact CG1-CZ 4.45Å; L435-F455 HydrophobicContact CB-CZ 4.27Å; L435-F455 WeakPolarHBondContact O-CZ 3.47Å; F436-F455 HydrophobicContact CD1-CE1 4.47Å; F438-F455 HydrophobicContact CB-CD2 4.32Å; F438-F455 HydrophobicContact CB-CE2 3.72Å; F438-F455 HydrophobicContact CB-CZ 4.07Å; F438-F455 HydrophobicContact CG-CE2 4.27Å; V439-F455 HydrophobicContact CG2-CB 4.32Å; V439-F455 HydrophobicContact CG2-CD1 3.29Å; V439-F455 HydrophobicContact CG2-CD2 4.4Å; V439-F455 HydrophobicContact CG2-CE1 3.58Å; V439-F455 HydrophobicContact CG2-CG 3.75Å; V439-F455 HydrophobicContact CG2-CZ 4.27Å; F451-F455 HydrophobicContact CD1-CB 4.48Å; F451-F455 HydrophobicContact CE1-CB 4.22Å; F451-F455 HydrophobicContact CE1-CD2 4.26Å; F451-F455 HydrophobicContact CE1-CG 4.47Å; F451-F455 HydrophobicContact CZ-CD2 4.25Å; F451-F455 WeakPolarHBondContact O-CB 3.43Å; F451-F455 PolarHBondContact O-N 2.89Å; T452-F455 PolarHBondContact O-N 3.21Å; E453-F455 VanDerWaalsContact C-N 3.3Å; E453-F455 PolarHBondContact O-N 3.47Å; F455-S457 VanDerWaalsContact C-N 3.33Å; F455-S457 PolarHBondContact O-N 3.4Å; F455-V458 PolarHBondContact O-N 3.26Å; F455-L459 HydrophobicContact CE1-CB 4.42Å; F455-L459 HydrophobicContact CE1-CD2 4.09Å; F455-L459 WeakPolarHBondContact O-CB 3.49Å; F455-L459 PolarHBondContact O-N 2.98Å
456	A	89.2	Confident	88.1	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-57.3	-48.4	172.7	0	0	0	0	0	110.8	T452 E453 V458 L459 K460 Y515 C519 L521	T452-A456 WeakPolarHBondContact O-CB 3.5Å; T452-A456 PolarHBondContact O-N 3.32Å; E453-A456 PolarHBondContact O-N 2.94Å; A456-V458 PolarHBondContact O-N 3.28Å; A456-L459 PolarHBondContact O-N 3.45Å; A456-K460 WeakPolarHBondContact O-CB 3.32Å; A456-K460 PolarHBondContact O-N 3Å; A456-Y515 VanDerWaalsContact C-OH 3.25Å; A456-Y515 PolarHBondContact O-OH 3.41Å; A456-C519 HydrophobicContact CB-CB 4.04Å; A456-L521 HydrophobicContact CB-CD1 4.2Å; A456-L521 HydrophobicContact CB-CD2 3.94Å; A456-L521 HydrophobicContact CB-CG 4.4Å
457	S	89.5	Confident	88.5	Confident	70 Å²	70	43.8 Å²	43.8	49%	0.49	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-43.2	178.9	-177.6	0	0	0	0	113	E453 E454 F455 R461	E453-S457 WeakPolarHBondContact O-CB 3.48Å; E453-S457 PolarHBondContact O-N 3.18Å; E454-S457 PolarHBondContact O-N 2.8Å; F455-S457 VanDerWaalsContact C-N 3.33Å; F455-S457 PolarHBondContact O-N 3.4Å; S457-R461 WeakPolarHBondContact O-CB 3.34Å; S457-R461 PolarHBondContact O-N 3.47Å
458	V	91.9	Very high	89.1	Confident	12 Å²	12	38.5 Å²	38.5	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-72.9	-40	179.5	177.5	0	0	0	0	110.8	W358 I361 E454 F455 A456 K460 R461 D462	W358-V458 HydrophobicContact CD2-CB 4.17Å; W358-V458 HydrophobicContact CD2-CG1 3.78Å; W358-V458 HydrophobicContact CD2-CG2 4.1Å; W358-V458 HydrophobicContact CE3-CB 3.66Å; W358-V458 HydrophobicContact CE3-CG1 3.42Å; W358-V458 VanDerWaalsContact CE3-CG1 3.42Å; W358-V458 HydrophobicContact CE3-CG2 4.04Å; W358-V458 HydrophobicContact CG-CG1 4.31Å; W358-V458 HydrophobicContact CH2-CB 3.96Å; W358-V458 HydrophobicContact CH2-CG2 3.83Å; W358-V458 HydrophobicContact CZ2-CB 4.41Å; W358-V458 HydrophobicContact CZ2-CG2 3.84Å; W358-V458 HydrophobicContact CZ3-CB 3.54Å; W358-V458 HydrophobicContact CZ3-CG1 3.87Å; W358-V458 HydrophobicContact CZ3-CG2 3.9Å; I361-V458 HydrophobicContact CD1-CB 4.43Å; I361-V458 HydrophobicContact CD1-CG1 3.98Å; E454-V458 WeakPolarHBondContact O-CG2 3.19Å; E454-V458 PolarHBondContact O-N 3.11Å; F455-V458 PolarHBondContact O-N 3.26Å; A456-V458 PolarHBondContact O-N 3.28Å; V458-K460 VanDerWaalsContact C-N 3.3Å; V458-K460 PolarHBondContact O-N 2.71Å; V458-R461 PolarHBondContact O-N 2.88Å; V458-D462 HydrophobicContact CG1-CB 4.25Å; V458-D462 WeakPolarHBondContact CG1-OD2 3.23Å; V458-D462 WeakPolarHBondContact O-CB 3.48Å; V458-D462 PolarHBondContact O-N 3.5Å
459	L	92.1	Very high	89.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-42.7	174.9	-177.5	67.3	0	0	0	111.3	I361 F432 L435 F436 F455 A456 F463 L464 Y515	I361-L459 HydrophobicContact CD1-CB 4.25Å; I361-L459 HydrophobicContact CD1-CD1 4.37Å; I361-L459 HydrophobicContact CG1-CD1 4.4Å; I361-L459 HydrophobicContact CG2-CD1 4.42Å; F432-L459 HydrophobicContact CE1-CD2 4.48Å; L435-L459 HydrophobicContact CB-CD1 4.3Å; L435-L459 HydrophobicContact CD1-CD1 3.4Å; L435-L459 VanDerWaalsContact CD1-CD1 3.4Å; L435-L459 HydrophobicContact CG-CD1 4.45Å; F436-L459 HydrophobicContact CD1-CD2 4.4Å; F436-L459 HydrophobicContact CE1-CD2 3.52Å; F436-L459 HydrophobicContact CZ-CD2 3.83Å; F455-L459 HydrophobicContact CE1-CB 4.42Å; F455-L459 HydrophobicContact CE1-CD2 4.09Å; F455-L459 WeakPolarHBondContact O-CB 3.49Å; F455-L459 PolarHBondContact O-N 2.98Å; A456-L459 PolarHBondContact O-N 3.45Å; L459-F463 HydrophobicContact CD1-CB 3.95Å; L459-F463 HydrophobicContact CD1-CD1 4.08Å; L459-F463 HydrophobicContact CD1-CG 4.22Å; L459-F463 WeakPolarHBondContact O-CA 3.47Å; L459-F463 WeakPolarHBondContact O-CB 3.31Å; L459-F463 PolarHBondContact O-N 3.33Å; L459-F463 VanDerWaalsContact O-N 3.08Å; L459-L464 PolarHBondContact O-N 3.42Å; L459-Y515 HydrophobicContact CB-CE2 4.32Å; L459-Y515 HydrophobicContact CD2-CD2 3.83Å; L459-Y515 HydrophobicContact CD2-CE2 3.88Å; L459-Y515 HydrophobicContact CG-CD2 4.37Å; L459-Y515 HydrophobicContact CG-CE2 4.21Å
460	K	91.4	Very high	91	Very high	30 Å²	30	37.3 Å²	37.3	13%	0.13	19%	0.185	C	C	.	.	I	π-helix	trans	-60.8	-51.3	173.2	-179.5	-172	171.6	-149.4	0	111.5	A456 V458 L465 Y515 D528 D530 Y531	A456-K460 WeakPolarHBondContact O-CB 3.32Å; A456-K460 PolarHBondContact O-N 3Å; V458-K460 VanDerWaalsContact C-N 3.3Å; V458-K460 PolarHBondContact O-N 2.71Å; K460-L465 HydrophobicContact CG-CD1 4.27Å; K460-L465 HydrophobicContact CG-CG 4.33Å; K460-L465 WeakPolarHBondContact O-CG 3.46Å; K460-L465 PolarHBondContact O-N 2.93Å; K460-Y515 HydrophobicContact CB-CE2 4.48Å; K460-D528 WeakPolarHBondContact CE-OD2 3.31Å; K460-D528 IonicContact NZ-OD1 2.64Å; K460-D528 PolarHBondContact NZ-OD1 2.86Å; K460-D528 IonicContact NZ-OD2 2.93Å; K460-D528 PolarHBondContact NZ-OD2 3.18Å; K460-D530 IonicContact NZ-OD2 3.93Å; K460-Y531 HydrophobicContact CD-CE1 4.15Å; K460-Y531 WeakPolarHBondContact CD-OH 3.11Å; K460-Y531 VanDerWaalsContact CE-CE1 3.48Å; K460-Y531 HydrophobicContact CG-CE1 4.1Å
461	R	91.1	Very high	91.5	Very high	138 Å²	138	36.2 Å²	36.2	52%	0.521	17%	0.174	S	C	.	.	I	π-helix	trans	-69.4	-39.7	-172.9	-171.8	-170.2	68.4	-155.3	-4.7	113.2	S457 V458 P466	S457-R461 WeakPolarHBondContact O-CB 3.34Å; S457-R461 PolarHBondContact O-N 3.47Å; V458-R461 PolarHBondContact O-N 2.88Å; R461-P466 WeakPolarHBondContact O-CD 3.49Å; R461-P466 WeakPolarHBondContact O-CG 3.46Å
462	D	92.7	Very high	91.7	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.123	18%	0.181	C	C	.	.	I	π-helix	trans	-111.1	-11.3	-165.2	-64.2	-8.8	0	0	0	113.5	I361 H362 N365 V458	I361-D462 HydrophobicContact CG2-CB 4.11Å; H362-D462 IonicContact CE1-OD2 3.53Å; H362-D462 PolarHBondContact CE1-OD2 2.87Å; H362-D462 IonicContact NE2-OD2 3.59Å; N365-D462 PolarHBondContact ND2-O 2.85Å; V458-D462 HydrophobicContact CG1-CB 4.25Å; V458-D462 WeakPolarHBondContact CG1-OD2 3.23Å; V458-D462 WeakPolarHBondContact O-CB 3.48Å; V458-D462 PolarHBondContact O-N 3.5Å
463	F	94.1	Very high	92	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.187	C	C	.	.	I	π-helix	trans	-122.6	-62.7	172.8	173	-95.3	0	0	0	112.6	I361 V364 N365 A368 F432 L435 L459 P466 F467	I361-F463 HydrophobicContact CG2-CB 3.76Å; V364-F463 HydrophobicContact CG1-CD2 4.48Å; V364-F463 HydrophobicContact CG1-CE2 4.17Å; N365-F463 HydrophobicContact CB-CD2 3.79Å; A368-F463 HydrophobicContact CB-CE2 3.94Å; F432-F463 HydrophobicContact CD1-CD1 4.26Å; F432-F463 AromaticContact CD1-CE1 3.75Å; F432-F463 HydrophobicContact CD1-CE1 3.75Å; F432-F463 AromaticContact CE1-CD1 3.75Å; F432-F463 HydrophobicContact CE1-CD1 3.75Å; F432-F463 AromaticContact CE1-CE1 3.42Å; F432-F463 HydrophobicContact CE1-CE1 3.42Å; F432-F463 VanDerWaalsContact CE1-CE1 3.42Å; F432-F463 HydrophobicContact CZ-CE1 4.32Å; L435-F463 HydrophobicContact CD1-CD2 4.39Å; L435-F463 HydrophobicContact CD1-CG 4.31Å; L459-F463 HydrophobicContact CD1-CB 3.95Å; L459-F463 HydrophobicContact CD1-CD1 4.08Å; L459-F463 HydrophobicContact CD1-CG 4.22Å; L459-F463 WeakPolarHBondContact O-CA 3.47Å; L459-F463 WeakPolarHBondContact O-CB 3.31Å; L459-F463 PolarHBondContact O-N 3.33Å; L459-F463 VanDerWaalsContact O-N 3.08Å; F463-P466 WeakPolarHBondContact O-CD 3.36Å; F463-F467 WeakPolarHBondContact O-CB 3.36Å; F463-F467 PolarHBondContact O-N 2.92Å
464	L	92.3	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-60.5	-56.5	-170	179.2	62.6	0	0	0	112.1	F432 L459 F468 F508 V511 Y515 Y531	F432-L464 HydrophobicContact CZ-CD1 4.36Å; L459-L464 PolarHBondContact O-N 3.42Å; L464-F468 HydrophobicContact CD1-CD2 4.05Å; L464-F468 HydrophobicContact CD1-CE2 3.85Å; L464-F468 WeakPolarHBondContact O-CD2 3.33Å; L464-F468 PolarHBondContact O-N 2.95Å; L464-F508 HydrophobicContact CD1-CE2 4.48Å; L464-V511 HydrophobicContact CD1-CG1 3.5Å; L464-V511 VanDerWaalsContact CD1-CG1 3.5Å; L464-Y515 HydrophobicContact CD2-CD1 4.36Å; L464-Y515 HydrophobicContact CD2-CG 4.31Å; L464-Y531 HydrophobicContact CD2-CE1 3.86Å
465	L	93.5	Very high	92.1	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-46.3	180	-63	172.4	0	0	0	112.3	K460 F467 F468 R469 D530 Y531 L534	K460-L465 HydrophobicContact CG-CD1 4.27Å; K460-L465 HydrophobicContact CG-CG 4.33Å; K460-L465 WeakPolarHBondContact O-CG 3.46Å; K460-L465 PolarHBondContact O-N 2.93Å; L465-F467 PolarHBondContact O-N 3.06Å; L465-F468 PolarHBondContact O-N 3.32Å; L465-R469 WeakPolarHBondContact O-CB 3.41Å; L465-R469 VanDerWaalsContact O-CG 3.24Å; L465-R469 WeakPolarHBondContact O-CG 3.5Å; L465-R469 PolarHBondContact O-N 3.21Å; L465-D530 HydrophobicContact CD1-CB 3.67Å; L465-D530 HydrophobicContact CD2-CB 4.02Å; L465-Y531 HydrophobicContact CD2-CD1 3.8Å; L465-Y531 HydrophobicContact CD2-CE1 3.96Å; L465-L534 HydrophobicContact CD2-CD2 4.07Å
466	P	94.3	Very high	92	Very high	34 Å²	34	31.9 Å²	31.9	22%	0.221	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-37.5	178.8	-27.8	38.9	0	0	0	114.2	R461 F463 R469 H470	R461-P466 WeakPolarHBondContact O-CD 3.49Å; R461-P466 WeakPolarHBondContact O-CG 3.46Å; F463-P466 WeakPolarHBondContact O-CD 3.36Å; P466-R469 PolarHBondContact O-N 2.64Å; P466-H470 WeakPolarHBondContact O-CB 3.27Å; P466-H470 PolarHBondContact O-N 3.34Å
467	F	94.8	Very high	91.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-47.8	178.9	178.4	-107.4	0	0	0	111.5	A368 N369 F372 V428 F463 L465 R469 H470 I471	A368-F467 HydrophobicContact CB-CD2 3.86Å; A368-F467 HydrophobicContact CB-CE2 3.78Å; N369-F467 VanDerWaalsContact OD1-CD2 3.31Å; N369-F467 WeakPolarHBondContact OD1-CD2 3.39Å; F372-F467 HydrophobicContact CB-CE2 4.24Å; F372-F467 HydrophobicContact CB-CZ 4.48Å; V428-F467 HydrophobicContact CG2-CD1 3.95Å; V428-F467 HydrophobicContact CG2-CE1 3.41Å; V428-F467 VanDerWaalsContact CG2-CE1 3.41Å; V428-F467 HydrophobicContact CG2-CZ 4.22Å; F463-F467 WeakPolarHBondContact O-CB 3.36Å; F463-F467 PolarHBondContact O-N 2.92Å; L465-F467 PolarHBondContact O-N 3.06Å; F467-R469 PolarHBondContact O-N 3.12Å; F467-H470 WeakPolarHBondContact O-CB 3.3Å; F467-H470 PolarHBondContact O-N 3.38Å; F467-I471 HydrophobicContact CD1-CD1 3.86Å; F467-I471 HydrophobicContact CE1-CD1 3.46Å; F467-I471 VanDerWaalsContact CE1-CD1 3.46Å; F467-I471 HydrophobicContact CE1-CG1 4.47Å; F467-I471 HydrophobicContact CZ-CD1 3.86Å; F467-I471 HydrophobicContact CZ-CG1 4.48Å; F467-I471 WeakPolarHBondContact O-CG1 3.32Å; F467-I471 PolarHBondContact O-N 2.82Å
468	F	94.2	Very high	91.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69	-34	175.6	-81.5	-85.8	0	0	0	113	L464 L465 H470 I471 V472 F508 V511 L534	L464-F468 HydrophobicContact CD1-CD2 4.05Å; L464-F468 HydrophobicContact CD1-CE2 3.85Å; L464-F468 WeakPolarHBondContact O-CD2 3.33Å; L464-F468 PolarHBondContact O-N 2.95Å; L465-F468 PolarHBondContact O-N 3.32Å; F468-H470 VanDerWaalsContact C-N 3.27Å; F468-H470 PolarHBondContact O-N 2.92Å; F468-I471 HydrophobicContact CD1-CD1 4.07Å; F468-I471 HydrophobicContact CE1-CD1 4.39Å; F468-I471 HydrophobicContact CG-CD1 4.43Å; F468-I471 WeakPolarHBondContact O-CB 3.2Å; F468-I471 PolarHBondContact O-N 3.02Å; F468-V472 WeakPolarHBondContact O-CG2 3.14Å; F468-V472 PolarHBondContact O-N 2.89Å; F468-F508 AromaticContact CD1-CD2 3.91Å; F468-F508 HydrophobicContact CD1-CD2 3.91Å; F468-F508 HydrophobicContact CD1-CE2 4.42Å; F468-F508 AromaticContact CD2-CD2 3.79Å; F468-F508 HydrophobicContact CD2-CD2 3.79Å; F468-F508 AromaticContact CD2-CE2 3.72Å; F468-F508 HydrophobicContact CD2-CE2 3.72Å; F468-F508 HydrophobicContact CE1-CB 4.41Å; F468-F508 AromaticContact CE1-CD2 3.79Å; F468-F508 HydrophobicContact CE1-CD2 3.79Å; F468-F508 AromaticContact CE2-CD2 3.67Å; F468-F508 HydrophobicContact CE2-CD2 3.67Å; F468-F508 AromaticContact CE2-CE2 3.97Å; F468-F508 HydrophobicContact CE2-CE2 3.97Å; F468-F508 AromaticContact CG-CD2 3.91Å; F468-F508 HydrophobicContact CG-CD2 3.91Å; F468-F508 AromaticContact CG-CE2 3.97Å; F468-F508 HydrophobicContact CG-CE2 3.97Å; F468-F508 AromaticContact CZ-CD2 3.67Å; F468-F508 HydrophobicContact CZ-CD2 3.67Å; F468-F508 HydrophobicContact CZ-CE2 4.42Å; F468-V511 HydrophobicContact CE2-CB 4.41Å; F468-V511 HydrophobicContact CE2-CG1 4.01Å; F468-V511 HydrophobicContact CZ-CB 4.33Å; F468-V511 HydrophobicContact CZ-CG1 4.4Å; F468-V511 HydrophobicContact CZ-CG2 4.16Å; F468-L534 HydrophobicContact CB-CD1 4.13Å; F468-L534 HydrophobicContact CB-CD2 3.39Å; F468-L534 HydrophobicContact CB-CG 4.17Å; F468-L534 HydrophobicContact CG-CD2 4.15Å
469	R	94.3	Very high	90.4	Very high	114 Å²	114	34.4 Å²	34.4	43%	0.43	16%	0.16	S	C	.	.	H	α-helix	trans	-63.7	-34.7	170.8	-74.4	174.4	-177.5	155.9	3	111.9	L465 P466 F467 V472 H473 D530 L534	L465-R469 WeakPolarHBondContact O-CB 3.41Å; L465-R469 VanDerWaalsContact O-CG 3.24Å; L465-R469 WeakPolarHBondContact O-CG 3.5Å; L465-R469 PolarHBondContact O-N 3.21Å; P466-R469 PolarHBondContact O-N 2.64Å; F467-R469 PolarHBondContact O-N 3.12Å; R469-V472 PolarHBondContact O-N 2.91Å; R469-H473 WeakPolarHBondContact O-CB 3.24Å; R469-H473 PolarHBondContact O-N 2.97Å; R469-D530 IonicContact NH2-OD1 2.78Å; R469-L534 HydrophobicContact CG-CD1 4.01Å
470	H	93.6	Very high	89.4	Confident	49 Å²	49	39.7 Å²	39.7	23%	0.227	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-45.6	173.2	-178	68	0	0	0	110.8	N369 E373 P466 F467 F468 V472 H473 S474	N369-H470 VanDerWaalsContact CG-CD2 3.48Å; N369-H470 WeakPolarHBondContact OD1-CB 3.26Å; N369-H470 PolarHBondContact OD1-CD2 3.26Å; E373-H470 IonicContact OE1-CE1 2.67Å; E373-H470 IonicContact OE1-NE2 3.89Å; E373-H470 PolarHBondContact OE1-NE2 3.35Å; P466-H470 WeakPolarHBondContact O-CB 3.27Å; P466-H470 PolarHBondContact O-N 3.34Å; F467-H470 WeakPolarHBondContact O-CB 3.3Å; F467-H470 PolarHBondContact O-N 3.38Å; F468-H470 VanDerWaalsContact C-N 3.27Å; F468-H470 PolarHBondContact O-N 2.92Å; H470-V472 VanDerWaalsContact C-N 3.34Å; H470-V472 PolarHBondContact O-N 3.1Å; H470-H473 CarbonylContact O-C 3.55Å; H470-H473 WeakPolarHBondContact O-CA 3.48Å; H470-H473 WeakPolarHBondContact O-CB 3.46Å; H470-H473 PolarHBondContact O-N 2.98Å; H470-S474 PolarHBondContact O-N 2.87Å; H470-S474 PolarHBondContact O-OG 3.05Å; H470-S474 VanDerWaalsContact O-OG 3.1Å
471	I	91.6	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.9	-47.9	173.5	-66.3	158.8	0	0	0	111.5	F372 L424 F467 F468 H473 S474 C475 M499	F372-I471 HydrophobicContact CD1-CG1 4.27Å; F372-I471 HydrophobicContact CD2-CG1 4.05Å; F372-I471 HydrophobicContact CE1-CB 4.46Å; F372-I471 HydrophobicContact CE1-CG1 4.09Å; F372-I471 HydrophobicContact CE2-CG1 3.86Å; F372-I471 HydrophobicContact CE2-CG2 4.26Å; F372-I471 HydrophobicContact CG-CG1 4.25Å; F372-I471 HydrophobicContact CZ-CB 4.21Å; F372-I471 HydrophobicContact CZ-CG1 3.88Å; F372-I471 HydrophobicContact CZ-CG2 3.91Å; L424-I471 HydrophobicContact CD1-CD1 3.53Å; L424-I471 HydrophobicContact CD1-CG1 4.29Å; L424-I471 HydrophobicContact CG-CD1 4.3Å; F467-I471 HydrophobicContact CD1-CD1 3.86Å; F467-I471 HydrophobicContact CE1-CD1 3.46Å; F467-I471 VanDerWaalsContact CE1-CD1 3.46Å; F467-I471 HydrophobicContact CE1-CG1 4.47Å; F467-I471 HydrophobicContact CZ-CD1 3.86Å; F467-I471 HydrophobicContact CZ-CG1 4.48Å; F467-I471 WeakPolarHBondContact O-CG1 3.32Å; F467-I471 PolarHBondContact O-N 2.82Å; F468-I471 HydrophobicContact CD1-CD1 4.07Å; F468-I471 HydrophobicContact CE1-CD1 4.39Å; F468-I471 HydrophobicContact CG-CD1 4.43Å; F468-I471 WeakPolarHBondContact O-CB 3.2Å; F468-I471 PolarHBondContact O-N 3.02Å; I471-H473 VanDerWaalsContact C-N 3.31Å; I471-H473 PolarHBondContact O-N 3.35Å; I471-S474 PolarHBondContact O-N 3.06Å; I471-C475 VanDerWaalsContact O-CB 3.31Å; I471-C475 WeakPolarHBondContact O-CB 3.25Å; I471-C475 PolarHBondContact O-N 3.47Å; I471-C475 PolarHBondContact O-SG 2.69Å; I471-M499 HydrophobicContact CG2-CE 4.46Å
472	V	93.2	Very high	86.1	Confident	25 Å²	25	39.9 Å²	39.9	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-45.9	175.4	169.1	0	0	0	0	110.4	F468 R469 H470 N476 L534 L538 L541	F468-V472 WeakPolarHBondContact O-CG2 3.14Å; F468-V472 PolarHBondContact O-N 2.89Å; R469-V472 PolarHBondContact O-N 2.91Å; H470-V472 VanDerWaalsContact C-N 3.34Å; H470-V472 PolarHBondContact O-N 3.1Å; V472-N476 WeakPolarHBondContact O-CB 3.35Å; V472-N476 PolarHBondContact O-N 3.47Å; V472-L534 HydrophobicContact CG2-CD1 4.23Å; V472-L538 HydrophobicContact CG2-CD2 3.56Å; V472-L538 HydrophobicContact CG2-CG 3.81Å; V472-L541 HydrophobicContact CB-CD2 4.31Å; V472-L541 HydrophobicContact CG1-CD2 4.04Å; V472-L541 VanDerWaalsContact O-CD2 3.31Å; V472-L541 WeakPolarHBondContact O-CD2 3.26Å
473	H	92.1	Very high	84.2	Confident	102 Å²	102	45.8 Å²	45.8	47%	0.472	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-51	179.3	-176.3	73.6	0	0	0	112.2	R469 H470 I471 C475 N476 Q477	R469-H473 WeakPolarHBondContact O-CB 3.24Å; R469-H473 PolarHBondContact O-N 2.97Å; H470-H473 CarbonylContact O-C 3.55Å; H470-H473 WeakPolarHBondContact O-CA 3.48Å; H470-H473 WeakPolarHBondContact O-CB 3.46Å; H470-H473 PolarHBondContact O-N 2.98Å; I471-H473 VanDerWaalsContact C-N 3.31Å; I471-H473 PolarHBondContact O-N 3.35Å; H473-C475 PolarHBondContact O-N 3.35Å; H473-N476 PolarHBondContact O-N 3.47Å; H473-N476 VanDerWaalsContact O-N 3.14Å; H473-Q477 PolarHBondContact CD2-NE2 3.38Å; H473-Q477 PolarHBondContact NE2-NE2 3.38Å; H473-Q477 WeakPolarHBondContact O-CG 3.38Å; H473-Q477 PolarHBondContact O-N 3.46Å
474	S	88.6	Confident	82	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-43	-179.6	-56.9	0	0	0	0	111.6	E373 H470 I471 N476 Q477	E373-S474 VanDerWaalsContact OE1-CB 3.27Å; E373-S474 WeakPolarHBondContact OE1-CB 3.38Å; E373-S474 PolarHBondContact OE1-OG 2.91Å; H470-S474 PolarHBondContact O-N 2.87Å; H470-S474 PolarHBondContact O-OG 3.05Å; H470-S474 VanDerWaalsContact O-OG 3.1Å; I471-S474 PolarHBondContact O-N 3.06Å; S474-N476 VanDerWaalsContact C-N 3.33Å; S474-N476 PolarHBondContact O-N 3.35Å; S474-Q477 WeakPolarHBondContact O-CB 3.18Å; S474-Q477 PolarHBondContact O-N 2.8Å
475	C	88.9	Confident	79.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-34.2	175.4	-67.3	0	0	0	0	112.2	I471 H473 Q477 C478 L541	I471-C475 VanDerWaalsContact O-CB 3.31Å; I471-C475 WeakPolarHBondContact O-CB 3.25Å; I471-C475 PolarHBondContact O-N 3.47Å; I471-C475 PolarHBondContact O-SG 2.69Å; H473-C475 PolarHBondContact O-N 3.35Å; C475-Q477 VanDerWaalsContact C-N 3.34Å; C475-C478 WeakPolarHBondContact O-CB 3.36Å; C475-C478 PolarHBondContact O-N 3.23Å; C475-L541 HydrophobicContact CB-CD2 3.64Å
476	N	87.8	Confident	77.8	Confident	58 Å²	58	66.9 Å²	66.9	31%	0.31	33%	0.326	S	S	.	.	H	α-helix	trans	-71.4	-25.9	176.2	-167.5	34.8	0	0	0	113.1	V472 H473 S474 C478 C479 N480 L541	V472-N476 WeakPolarHBondContact O-CB 3.35Å; V472-N476 PolarHBondContact O-N 3.47Å; H473-N476 PolarHBondContact O-N 3.47Å; H473-N476 VanDerWaalsContact O-N 3.14Å; S474-N476 VanDerWaalsContact C-N 3.33Å; S474-N476 PolarHBondContact O-N 3.35Å; N476-C478 PolarHBondContact O-N 2.95Å; N476-C479 VanDerWaalsContact O-CB 3.31Å; N476-C479 WeakPolarHBondContact O-CB 3.35Å; N476-C479 PolarHBondContact O-N 2.87Å; N476-N480 PolarHBondContact O-N 3.39Å; N476-L541 HydrophobicContact CB-CD1 3.87Å
477	Q	84.8	Confident	76.2	Confident	108 Å²	108	69.7 Å²	69.7	51%	0.505	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-34.4	172.6	-67.9	-173.7	13.7	0	0	111.5	H473 S474 C475 C479 N480 E481	H473-Q477 PolarHBondContact CD2-NE2 3.38Å; H473-Q477 PolarHBondContact NE2-NE2 3.38Å; H473-Q477 WeakPolarHBondContact O-CG 3.38Å; H473-Q477 PolarHBondContact O-N 3.46Å; S474-Q477 WeakPolarHBondContact O-CB 3.18Å; S474-Q477 PolarHBondContact O-N 2.8Å; C475-Q477 VanDerWaalsContact C-N 3.34Å; Q477-C479 VanDerWaalsContact C-N 3.26Å; Q477-C479 PolarHBondContact O-N 3.47Å; Q477-N480 PolarHBondContact O-N 3.38Å; Q477-E481 PolarHBondContact O-N 3.44Å
478	C	78	Confident	74.9	Confident	12 Å²	12	70.2 Å²	70.2	8%	0.081	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-25.5	173.6	-61.7	0	0	0	0	113.9	F376 C475 N476 T488 L496	F376-C478 VanDerWaalsContact CZ-SG 3.55Å; C475-C478 WeakPolarHBondContact O-CB 3.36Å; C475-C478 PolarHBondContact O-N 3.23Å; N476-C478 PolarHBondContact O-N 2.95Å; C478-T488 HydrophobicContact CB-CG2 4.17Å; C478-L496 HydrophobicContact CB-CD1 4.21Å
479	C	74.5	Confident	74.2	Confident	16 Å²	16	70.9 Å²	70.9	11%	0.108	35%	0.354	C	S	.	.	H	α-helix	trans	-72.7	-39.2	173.2	-66.4	0	0	0	0	111.8	N476 Q477 L545	N476-C479 VanDerWaalsContact O-CB 3.31Å; N476-C479 WeakPolarHBondContact O-CB 3.35Å; N476-C479 PolarHBondContact O-N 2.87Å; Q477-C479 VanDerWaalsContact C-N 3.26Å; Q477-C479 PolarHBondContact O-N 3.47Å; C479-L545 WeakPolarHBondContact SG-CD2 3.37Å
480	N	71	Confident	73.9	Confident	112 Å²	112	66.1 Å²	66.1	60%	0.599	34%	0.338	S	S	*	.	H	α-helix	trans	-83.9	-12.8	-169.2	-71.4	-26.7	0	0	0	114.4	N476 Q477 S482	N476-N480 PolarHBondContact O-N 3.39Å; Q477-N480 PolarHBondContact O-N 3.38Å; N480-S482 PolarHBondContact O-N 3.45Å
481	E	62.8	Low	73.5	Confident	76 Å²	76	65 Å²	65	36%	0.355	33%	0.333	S	S	.	.	S	Bend	trans	-58.7	109.4	173.5	-70.9	-165.4	156.8	0	0	110.4	Q477 S486 T488 R548	Q477-E481 PolarHBondContact O-N 3.44Å; E481-S486 WeakPolarHBondContact OE2-CA 3.46Å; E481-T488 PolarHBondContact OE2-OG1 3.35Å; E481-R548 PolarHBondContact O-NH2 3.12Å
482	S	50.8	Low	73.2	Confident	96 Å²	96	65 Å²	65	67%	0.671	33%	0.333	S	S	*	.			trans	-49.9	141.6	-177.3	-48.4	0	0	0	0	112.4	N480 E484 R485	N480-S482 PolarHBondContact O-N 3.45Å; S482-E484 PolarHBondContact O-N 3.1Å; S482-R485 PolarHBondContact O-N 2.58Å
483	Q	53	Low	73	Confident	147 Å²	147	63.9 Å²	63.9	69%	0.687	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-24.2	-177.4	-87	177.5	-16.2	0	0	116.1
484	E	47.1	Very low	73	Confident	182 Å²	182	59.1 Å²	59.1	85%	0.85	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-19.1	-171.2	-65	-172.4	163.1	0	0	114.5	S482	S482-E484 PolarHBondContact O-N 3.1Å
485	R	47.4	Very low	73	Confident	231 Å²	231	58.9 Å²	58.9	87%	0.872	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.2	20	-174.2	-66.3	-171.4	-177	168.7	1.8	115.9	S482 S487	S482-R485 PolarHBondContact O-N 2.58Å; R485-S487 PolarHBondContact O-N 2.81Å
486	S	52.1	Low	73.1	Confident	37 Å²	37	58.9 Å²	58.9	26%	0.259	30%	0.302	S	S	.	.			trans	-61.8	107.7	179.8	69.2	0	0	0	0	110.1	E481 T488	E481-S486 WeakPolarHBondContact OE2-CA 3.46Å; S486-T488 PolarHBondContact O-N 3.07Å
487	S	60.4	Low	73.4	Confident	92 Å²	92	56.1 Å²	56.1	64%	0.643	29%	0.288	S	S	*	.			trans	-70	-14.8	172.8	70.2	0	0	0	0	111.4	R485 S489	R485-S487 PolarHBondContact O-N 2.81Å; S487-S489 PolarHBondContact O-N 2.81Å
488	T	66.9	Low	73.8	Confident	12 Å²	12	53.1 Å²	53.1	7%	0.074	27%	0.273	C	S	.	.			trans	-63.7	119.3	-178.8	-56.8	0	0	0	0	111.5	C478 E481 S486 L492 I493	C478-T488 HydrophobicContact CB-CG2 4.17Å; E481-T488 PolarHBondContact OE2-OG1 3.35Å; S486-T488 PolarHBondContact O-N 3.07Å; T488-L492 HydrophobicContact CG2-CD2 4.09Å; T488-I493 HydrophobicContact CG2-CD1 4.27Å; T488-I493 HydrophobicContact CG2-CG1 3.85Å
489	S	80.5	Confident	74.4	Confident	14 Å²	14	52.7 Å²	52.7	10%	0.098	27%	0.269	C	S	.	.			trans	-66	137.2	176.9	-177.6	0	0	0	0	111.1	S487 M491 L492 I493	S487-S489 PolarHBondContact O-N 2.81Å; S489-M491 PolarHBondContact O-N 3Å; S489-L492 WeakPolarHBondContact O-CB 3.32Å; S489-L492 PolarHBondContact O-N 2.95Å; S489-I493 PolarHBondContact O-N 3.02Å
490	T	86.3	Confident	75.4	Confident	15 Å²	15	52 Å²	52	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-31.2	176.1	49.3	0	0	0	0	112.6	L492 I493 L494 F549 L552 E553	T490-L492 VanDerWaalsContact C-N 3.31Å; T490-L492 PolarHBondContact O-N 3.36Å; T490-I493 PolarHBondContact O-N 2.72Å; T490-L494 PolarHBondContact O-N 3.48Å; T490-L494 VanDerWaalsContact O-N 3.08Å; T490-F549 VanDerWaalsContact O-CD2 3.31Å; T490-F549 WeakPolarHBondContact O-CD2 3.39Å; T490-L552 HydrophobicContact CG2-CB 3.9Å; T490-L552 HydrophobicContact CG2-CD1 4.26Å; T490-E553 WeakPolarHBondContact CB-OE1 2.98Å; T490-E553 HydrophobicContact CG2-CG 4.43Å; T490-E553 WeakPolarHBondContact CG2-OE1 3.38Å; T490-E553 PolarHBondContact OG1-OE1 2.93Å
491	M	86.5	Confident	76.4	Confident	25 Å²	25	48 Å²	48	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-36.1	172.8	-66.5	176.6	176	0	0	112.4	K387 I390 L413 S489 L494 I495	K387-M491 HydrophobicContact CB-CE 4.21Å; K387-M491 HydrophobicContact CB-SD 3.78Å; K387-M491 HydrophobicContact CG-CE 4Å; K387-M491 HydrophobicContact CG-SD 4.08Å; I390-M491 HydrophobicContact CD1-CE 3.83Å; I390-M491 HydrophobicContact CD1-SD 4.3Å; L413-M491 HydrophobicContact CD2-CB 4.37Å; L413-M491 HydrophobicContact CD2-CG 4.44Å; S489-M491 PolarHBondContact O-N 3Å; M491-L494 PolarHBondContact O-N 3Å; M491-I495 WeakPolarHBondContact O-CG1 3.22Å; M491-I495 PolarHBondContact O-N 3.24Å; M491-I495 VanDerWaalsContact O-N 3.09Å
492	L	85.4	Confident	77.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-45.1	175.4	176.3	61.5	0	0	0	110.2	F376 Q380 L383 T488 S489 T490 L494 I495 L496	F376-L492 HydrophobicContact CZ-CD2 4.23Å; Q380-L492 HydrophobicContact CB-CD2 4.1Å; Q380-L492 HydrophobicContact CG-CD2 3.94Å; L383-L492 HydrophobicContact CD1-CB 3.79Å; L383-L492 HydrophobicContact CD1-CD1 3.6Å; L383-L492 HydrophobicContact CD1-CG 4.26Å; T488-L492 HydrophobicContact CG2-CD2 4.09Å; S489-L492 WeakPolarHBondContact O-CB 3.32Å; S489-L492 PolarHBondContact O-N 2.95Å; T490-L492 VanDerWaalsContact C-N 3.31Å; T490-L492 PolarHBondContact O-N 3.36Å; L492-L494 PolarHBondContact O-N 3.48Å; L492-I495 PolarHBondContact O-N 2.93Å; L492-I495 VanDerWaalsContact O-N 3.11Å; L492-L496 HydrophobicContact CD1-CD1 4.03Å; L492-L496 HydrophobicContact CD1-CD2 4.11Å; L492-L496 HydrophobicContact CD1-CG 3.84Å; L492-L496 HydrophobicContact CG-CD1 3.89Å; L492-L496 HydrophobicContact CG-CG 4.14Å; L492-L496 VanDerWaalsContact O-CG 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.33Å; L492-L496 PolarHBondContact O-N 2.96Å
493	I	89.1	Confident	79.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-41.8	177.2	-60.7	174.8	0	0	0	110.8	T488 S489 T490 L496 C497 L545 R548 F549 L552	T488-I493 HydrophobicContact CG2-CD1 4.27Å; T488-I493 HydrophobicContact CG2-CG1 3.85Å; S489-I493 PolarHBondContact O-N 3.02Å; T490-I493 PolarHBondContact O-N 2.72Å; I493-L496 PolarHBondContact O-N 3.39Å; I493-C497 VanDerWaalsContact O-CB 3.25Å; I493-C497 WeakPolarHBondContact O-CB 3.43Å; I493-C497 PolarHBondContact O-N 3.24Å; I493-L545 HydrophobicContact CG2-CB 4.26Å; I493-L545 HydrophobicContact CG2-CD2 3.97Å; I493-L545 VanDerWaalsContact CG2-O 3.28Å; I493-L545 WeakPolarHBondContact CG2-O 3.46Å; I493-R548 HydrophobicContact CD1-CG 4.41Å; I493-F549 HydrophobicContact CG2-CB 3.98Å; I493-L552 HydrophobicContact CD1-CD1 3.43Å; I493-L552 VanDerWaalsContact CD1-CD1 3.43Å
494	L	90.5	Very high	81.8	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.7	-174.1	65.5	0	0	0	112.7	L413 T490 M491 L492 C497 K498 F549 V597 L600	L413-L494 HydrophobicContact CD2-CD2 4.39Å; T490-L494 PolarHBondContact O-N 3.48Å; T490-L494 VanDerWaalsContact O-N 3.08Å; M491-L494 PolarHBondContact O-N 3Å; L492-L494 PolarHBondContact O-N 3.48Å; L494-C497 WeakPolarHBondContact O-CB 3.41Å; L494-C497 PolarHBondContact O-N 2.91Å; L494-K498 PolarHBondContact O-N 2.9Å; L494-K498 VanDerWaalsContact O-N 3.12Å; L494-F549 HydrophobicContact CB-CD2 3.93Å; L494-F549 HydrophobicContact CB-CE2 3.95Å; L494-F549 HydrophobicContact CB-CG 4.44Å; L494-F549 HydrophobicContact CB-CZ 4.47Å; L494-F549 HydrophobicContact CD1-CD1 4.09Å; L494-F549 HydrophobicContact CD1-CE1 4.1Å; L494-F549 HydrophobicContact CD1-CG 4.32Å; L494-F549 HydrophobicContact CD1-CZ 4.32Å; L494-F549 HydrophobicContact CD2-CE2 4.23Å; L494-F549 HydrophobicContact CD2-CZ 4.03Å; L494-F549 HydrophobicContact CG-CE2 4.47Å; L494-V597 HydrophobicContact CD2-CG2 4.08Å; L494-L600 HydrophobicContact CD2-CD1 3.85Å; L494-L600 HydrophobicContact CG-CD1 3.76Å
495	I	90	Very high	83.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-45.4	176.1	-73.1	173	0	0	0	111	L383 A416 L417 M420 M491 L492 C497 K498 M499 L600	L383-I495 HydrophobicContact CD1-CD1 3.94Å; L383-I495 HydrophobicContact CD2-CD1 3.2Å; L383-I495 HydrophobicContact CG-CD1 4.14Å; A416-I495 HydrophobicContact CB-CD1 4.04Å; L417-I495 HydrophobicContact CB-CG2 4.26Å; L417-I495 HydrophobicContact CD1-CG2 3.95Å; M420-I495 HydrophobicContact SD-CG2 3.91Å; M491-I495 WeakPolarHBondContact O-CG1 3.22Å; M491-I495 PolarHBondContact O-N 3.24Å; M491-I495 VanDerWaalsContact O-N 3.09Å; L492-I495 PolarHBondContact O-N 2.93Å; L492-I495 VanDerWaalsContact O-N 3.11Å; I495-C497 VanDerWaalsContact C-N 3.28Å; I495-C497 PolarHBondContact O-N 3.21Å; I495-K498 PolarHBondContact O-N 2.94Å; I495-M499 WeakPolarHBondContact O-CB 3.27Å; I495-M499 PolarHBondContact O-N 2.99Å; I495-L600 HydrophobicContact CG1-CD1 3.86Å
496	L	90.8	Very high	86	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-37.5	177.8	-64	178	0	0	0	111.7	F376 C478 L492 I493 M499 C500 L545	F376-L496 HydrophobicContact CD2-CD2 4.15Å; F376-L496 HydrophobicContact CE2-CD1 3.64Å; F376-L496 HydrophobicContact CE2-CD2 3.57Å; F376-L496 HydrophobicContact CE2-CG 4.21Å; F376-L496 HydrophobicContact CZ-CD1 3.92Å; C478-L496 HydrophobicContact CB-CD1 4.21Å; L492-L496 HydrophobicContact CD1-CD1 4.03Å; L492-L496 HydrophobicContact CD1-CD2 4.11Å; L492-L496 HydrophobicContact CD1-CG 3.84Å; L492-L496 HydrophobicContact CG-CD1 3.89Å; L492-L496 HydrophobicContact CG-CG 4.14Å; L492-L496 VanDerWaalsContact O-CG 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.33Å; L492-L496 PolarHBondContact O-N 2.96Å; I493-L496 PolarHBondContact O-N 3.39Å; L496-M499 HydrophobicContact CD2-CE 3.75Å; L496-C500 WeakPolarHBondContact O-CB 3.46Å; L496-C500 PolarHBondContact O-N 3.3Å; L496-C500 PolarHBondContact O-SG 3.43Å; L496-L545 HydrophobicContact CB-CD1 4.01Å
497	C	92.9	Very high	87.9	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56	-53.2	172.6	170.5	0	0	0	0	110.9	I493 L494 I495 C500 S501 S542 L545 F661	I493-C497 VanDerWaalsContact O-CB 3.25Å; I493-C497 WeakPolarHBondContact O-CB 3.43Å; I493-C497 PolarHBondContact O-N 3.24Å; L494-C497 WeakPolarHBondContact O-CB 3.41Å; L494-C497 PolarHBondContact O-N 2.91Å; I495-C497 VanDerWaalsContact C-N 3.28Å; I495-C497 PolarHBondContact O-N 3.21Å; C497-C500 PolarHBondContact O-N 2.78Å; C497-S501 PolarHBondContact O-N 2.78Å; C497-S501 VanDerWaalsContact O-N 3.1Å; C497-S542 WeakPolarHBondContact O-CB 3.31Å; C497-S542 PolarHBondContact SG-O 2.91Å; C497-L545 HydrophobicContact CB-CB 3.73Å; C497-F661 VanDerWaalsContact SG-CE1 3.59Å
498	K	93.2	Very high	89.4	Confident	45 Å²	45	14.2 Å²	14.2	20%	0.196	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-43.9	-179.4	-175	53.9	174.1	128.8	0	112	L417 L494 I495 C500 S501 D502 L600 L601	L417-K498 HydrophobicContact CD2-CB 4.08Å; L417-K498 HydrophobicContact CD2-CG 3.43Å; L417-K498 VanDerWaalsContact CD2-CG 3.43Å; L494-K498 PolarHBondContact O-N 2.9Å; L494-K498 VanDerWaalsContact O-N 3.12Å; I495-K498 PolarHBondContact O-N 2.94Å; K498-C500 VanDerWaalsContact C-N 3.34Å; K498-C500 PolarHBondContact O-N 3.34Å; K498-S501 CarbonylContact O-C 3.44Å; K498-S501 WeakPolarHBondContact O-CA 3.42Å; K498-S501 WeakPolarHBondContact O-CB 3.49Å; K498-S501 PolarHBondContact O-N 3.39Å; K498-D502 WeakPolarHBondContact CD-OD2 3.43Å; K498-D502 WeakPolarHBondContact CE-OD2 3.46Å; K498-D502 WeakPolarHBondContact CG-OD2 3.47Å; K498-D502 IonicContact NZ-OD1 3.63Å; K498-D502 PolarHBondContact NZ-OD1 3.44Å; K498-D502 IonicContact NZ-OD2 2.83Å; K498-D502 PolarHBondContact NZ-OD2 3.3Å; K498-D502 PolarHBondContact O-N 3.48Å; K498-L600 VanDerWaalsContact CE-O 3.25Å; K498-L600 WeakPolarHBondContact CE-O 3.31Å; K498-L600 HydrophobicContact CG-CB 4.46Å; K498-L601 HydrophobicContact CD-CD2 4.2Å
499	M	92.1	Very high	90.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-57.6	-43.4	174.7	-172.9	-174.1	73.4	0	0	112	F372 L417 M420 E421 I471 I495 L496 S501 D502 C503	F372-M499 HydrophobicContact CZ-CE 4.49Å; L417-M499 HydrophobicContact CD1-CB 3.71Å; L417-M499 HydrophobicContact CD1-CG 4.45Å; M420-M499 HydrophobicContact CB-SD 4.35Å; E421-M499 HydrophobicContact CG-CG 4.17Å; I471-M499 HydrophobicContact CG2-CE 4.46Å; I495-M499 WeakPolarHBondContact O-CB 3.27Å; I495-M499 PolarHBondContact O-N 2.99Å; L496-M499 HydrophobicContact CD2-CE 3.75Å; M499-S501 VanDerWaalsContact C-N 3.31Å; M499-S501 PolarHBondContact O-N 3.44Å; M499-D502 PolarHBondContact O-N 3.23Å; M499-C503 VanDerWaalsContact O-CB 3.23Å; M499-C503 WeakPolarHBondContact O-CB 3.39Å; M499-C503 PolarHBondContact O-N 2.73Å; M499-C503 PolarHBondContact O-SG 3.12Å
500	C	94.1	Very high	91.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-37	176.5	-69.5	0	0	0	0	111.8	L496 C497 K498 C503 A504 L538	L496-C500 WeakPolarHBondContact O-CB 3.46Å; L496-C500 PolarHBondContact O-N 3.3Å; L496-C500 PolarHBondContact O-SG 3.43Å; C497-C500 PolarHBondContact O-N 2.78Å; K498-C500 VanDerWaalsContact C-N 3.34Å; K498-C500 PolarHBondContact O-N 3.34Å; C500-C503 WeakPolarHBondContact O-CB 3.32Å; C500-A504 PolarHBondContact O-N 3.2Å; C500-L538 HydrophobicContact CB-CD2 4.48Å
501	S	93.4	Very high	91.3	Very high	30 Å²	30	20 Å²	20	21%	0.21	11%	0.111	C	C	.	.	H	α-helix	trans	-67.5	-41.8	174.7	179.4	0	0	0	0	112.2	C497 K498 M499 C503 A504 S505	C497-S501 PolarHBondContact O-N 2.78Å; C497-S501 VanDerWaalsContact O-N 3.1Å; K498-S501 CarbonylContact O-C 3.44Å; K498-S501 WeakPolarHBondContact O-CA 3.42Å; K498-S501 WeakPolarHBondContact O-CB 3.49Å; K498-S501 PolarHBondContact O-N 3.39Å; M499-S501 VanDerWaalsContact C-N 3.31Å; M499-S501 PolarHBondContact O-N 3.44Å; S501-C503 VanDerWaalsContact C-N 3.35Å; S501-A504 PolarHBondContact O-N 2.85Å; S501-S505 WeakPolarHBondContact O-CB 3.45Å; S501-S505 PolarHBondContact O-N 3.46Å; S501-S505 PolarHBondContact O-OG 2.91Å
502	D	93.5	Very high	91.4	Very high	30 Å²	30	19.3 Å²	19.3	16%	0.16	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-33.4	176	-72.2	-35.6	0	0	0	112.1	E421 K498 M499 S505 S506 I507	E421-D502 WeakPolarHBondContact OE1-CB 3.19Å; K498-D502 WeakPolarHBondContact CD-OD2 3.43Å; K498-D502 WeakPolarHBondContact CE-OD2 3.46Å; K498-D502 WeakPolarHBondContact CG-OD2 3.47Å; K498-D502 IonicContact NZ-OD1 3.63Å; K498-D502 PolarHBondContact NZ-OD1 3.44Å; K498-D502 IonicContact NZ-OD2 2.83Å; K498-D502 PolarHBondContact NZ-OD2 3.3Å; K498-D502 PolarHBondContact O-N 3.48Å; M499-D502 PolarHBondContact O-N 3.23Å; D502-S505 WeakPolarHBondContact CA-OG 3.49Å; D502-S505 PolarHBondContact O-OG 2.91Å; D502-S506 PolarHBondContact O-N 3.13Å; D502-I507 HydrophobicContact CB-CD1 4.17Å; D502-I507 PolarHBondContact O-N 2.88Å
503	C	93.1	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-57.5	-53.9	167.8	-80.3	0	0	0	0	112	M499 C500 S501 S505 F508 L538	M499-C503 VanDerWaalsContact O-CB 3.23Å; M499-C503 WeakPolarHBondContact O-CB 3.39Å; M499-C503 PolarHBondContact O-N 2.73Å; M499-C503 PolarHBondContact O-SG 3.12Å; C500-C503 WeakPolarHBondContact O-CB 3.32Å; S501-C503 VanDerWaalsContact C-N 3.35Å; C503-S505 VanDerWaalsContact C-N 3.35Å; C503-S505 PolarHBondContact O-N 3.4Å; C503-F508 WeakPolarHBondContact O-CB 3.39Å; C503-F508 PolarHBondContact O-N 3.14Å; C503-L538 HydrophobicContact CB-CD1 4.09Å; C503-L538 HydrophobicContact CB-CD2 4.06Å
504	A	93.5	Very high	91.5	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.041	15%	0.15	C	C	.	.	I	π-helix	trans	-64.5	-37.2	-179.4	0	0	0	0	0	113.4	C500 S501 L538 E539	C500-A504 PolarHBondContact O-N 3.2Å; S501-A504 PolarHBondContact O-N 2.85Å; A504-L538 HydrophobicContact CB-CB 3.87Å; A504-E539 HydrophobicContact CB-CG 3.72Å
505	S	91	Very high	91.4	Very high	70 Å²	70	27.6 Å²	27.6	49%	0.49	15%	0.151	S	C	.	.	I	π-helix	trans	-89.5	-29.1	-169.9	59.4	0	0	0	0	115.3	S501 D502 C503	S501-S505 WeakPolarHBondContact O-CB 3.45Å; S501-S505 PolarHBondContact O-N 3.46Å; S501-S505 PolarHBondContact O-OG 2.91Å; D502-S505 WeakPolarHBondContact CA-OG 3.49Å; D502-S505 PolarHBondContact O-OG 2.91Å; C503-S505 VanDerWaalsContact C-N 3.35Å; C503-S505 PolarHBondContact O-N 3.4Å
506	S	91.4	Very high	91.2	Very high	40 Å²	40	30.3 Å²	30.3	28%	0.28	16%	0.164	S	C	.	.	I	π-helix	trans	-146.1	-44.2	-174.1	132.1	0	0	0	0	114.2	D502 F508 D509 K510	D502-S506 PolarHBondContact O-N 3.13Å; S506-F508 PolarHBondContact O-N 3.5Å; S506-D509 PolarHBondContact O-N 2.85Å; S506-K510 WeakPolarHBondContact O-CG 3.35Å; S506-K510 PolarHBondContact O-N 3.38Å; S506-K510 WeakPolarHBondContact OG-CE 3.29Å; S506-K510 PolarHBondContact OG-NZ 3.32Å
507	I	91.4	Very high	90.8	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	20%	0.198	C	C	.	.	I	π-helix	trans	-67.5	-41.9	-172.3	-58.5	168.6	0	0	0	110.4	E421 L424 L425 D502 D509 K510 V511	E421-I507 HydrophobicContact CB-CD1 4.09Å; E421-I507 HydrophobicContact CG-CD1 3.82Å; L424-I507 HydrophobicContact CD2-CG2 3.75Å; L425-I507 HydrophobicContact CD1-CG2 4.42Å; L425-I507 HydrophobicContact CD2-CG2 3.77Å; L425-I507 HydrophobicContact CG-CG2 3.9Å; D502-I507 HydrophobicContact CB-CD1 4.17Å; D502-I507 PolarHBondContact O-N 2.88Å; I507-D509 VanDerWaalsContact C-N 3.35Å; I507-D509 PolarHBondContact O-N 2.95Å; I507-K510 PolarHBondContact O-N 2.87Å; I507-V511 WeakPolarHBondContact O-CG2 3.23Å; I507-V511 PolarHBondContact O-N 3.33Å
508	F	92	Very high	90.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-40.9	178.9	-171.9	-125.3	0	0	0	111.9	L464 F468 C503 S506 V511 I512 Y531 L534 K535	L464-F508 HydrophobicContact CD1-CE2 4.48Å; F468-F508 AromaticContact CD1-CD2 3.91Å; F468-F508 HydrophobicContact CD1-CD2 3.91Å; F468-F508 HydrophobicContact CD1-CE2 4.42Å; F468-F508 AromaticContact CD2-CD2 3.79Å; F468-F508 HydrophobicContact CD2-CD2 3.79Å; F468-F508 AromaticContact CD2-CE2 3.72Å; F468-F508 HydrophobicContact CD2-CE2 3.72Å; F468-F508 HydrophobicContact CE1-CB 4.41Å; F468-F508 AromaticContact CE1-CD2 3.79Å; F468-F508 HydrophobicContact CE1-CD2 3.79Å; F468-F508 AromaticContact CE2-CD2 3.67Å; F468-F508 HydrophobicContact CE2-CD2 3.67Å; F468-F508 AromaticContact CE2-CE2 3.97Å; F468-F508 HydrophobicContact CE2-CE2 3.97Å; F468-F508 AromaticContact CG-CD2 3.91Å; F468-F508 HydrophobicContact CG-CD2 3.91Å; F468-F508 AromaticContact CG-CE2 3.97Å; F468-F508 HydrophobicContact CG-CE2 3.97Å; F468-F508 AromaticContact CZ-CD2 3.67Å; F468-F508 HydrophobicContact CZ-CD2 3.67Å; F468-F508 HydrophobicContact CZ-CE2 4.42Å; C503-F508 WeakPolarHBondContact O-CB 3.39Å; C503-F508 PolarHBondContact O-N 3.14Å; S506-F508 PolarHBondContact O-N 3.5Å; F508-V511 PolarHBondContact O-N 2.92Å; F508-V511 VanDerWaalsContact O-N 3.16Å; F508-I512 HydrophobicContact CD1-CD1 3.72Å; F508-I512 HydrophobicContact CE1-CD1 3.49Å; F508-I512 VanDerWaalsContact CE1-CD1 3.49Å; F508-I512 HydrophobicContact CE1-CG1 4.41Å; F508-I512 HydrophobicContact CE2-CD1 4.33Å; F508-I512 HydrophobicContact CE2-CG1 4.42Å; F508-I512 HydrophobicContact CG-CD1 4.25Å; F508-I512 HydrophobicContact CZ-CD1 3.8Å; F508-I512 HydrophobicContact CZ-CG1 4.29Å; F508-I512 WeakPolarHBondContact O-CG1 3.28Å; F508-I512 PolarHBondContact O-N 3.44Å; F508-Y531 HydrophobicContact CE1-CD1 4.22Å; F508-Y531 HydrophobicContact CE1-CG 4.36Å; F508-Y531 AromaticContact CZ-CD1 3.77Å; F508-Y531 HydrophobicContact CZ-CD1 3.77Å; F508-Y531 HydrophobicContact CZ-CE1 4.44Å; F508-Y531 HydrophobicContact CZ-CG 4.36Å; F508-L534 HydrophobicContact CD2-CD2 4.44Å; F508-L534 HydrophobicContact CE1-CD2 4.17Å; F508-L534 HydrophobicContact CE2-CD2 3.58Å; F508-L534 HydrophobicContact CZ-CB 4.45Å; F508-L534 HydrophobicContact CZ-CD2 3.42Å; F508-L534 VanDerWaalsContact CZ-CD2 3.42Å; F508-L534 HydrophobicContact CZ-CG 4.26Å; F508-K535 HydrophobicContact CD1-CD 4.42Å; F508-K535 HydrophobicContact CD1-CG 3.74Å; F508-K535 HydrophobicContact CE1-CG 4.12Å
509	D	91.1	Very high	89.5	Confident	54 Å²	54	41.3 Å²	41.3	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-45.2	175.4	-72.6	-33.6	0	0	0	112.1	S506 I507 V511 I512 D513 K535	S506-D509 PolarHBondContact O-N 2.85Å; I507-D509 VanDerWaalsContact C-N 3.35Å; I507-D509 PolarHBondContact O-N 2.95Å; D509-V511 PolarHBondContact O-N 3.14Å; D509-I512 PolarHBondContact O-N 3.21Å; D509-I512 VanDerWaalsContact O-N 3.13Å; D509-D513 VanDerWaalsContact O-CG 3.28Å; D509-D513 PolarHBondContact O-N 2.97Å; D509-K535 WeakPolarHBondContact OD1-CE 3.25Å; D509-K535 IonicContact OD1-NZ 3.21Å; D509-K535 PolarHBondContact OD1-NZ 3.07Å; D509-K535 IonicContact OD2-NZ 3.79Å; D509-K535 PolarHBondContact OD2-NZ 3.11Å
510	K	91	Very high	88.5	Confident	108 Å²	108	45.2 Å²	45.2	47%	0.47	25%	0.25	S	C	.	.	H	α-helix	trans	-58.2	-35.8	173.9	-72.4	167.6	-179.5	161.1	0	112.5	S506 I507 L514	S506-K510 WeakPolarHBondContact O-CG 3.35Å; S506-K510 PolarHBondContact O-N 3.38Å; S506-K510 WeakPolarHBondContact OG-CE 3.29Å; S506-K510 PolarHBondContact OG-NZ 3.32Å; I507-K510 PolarHBondContact O-N 2.87Å; K510-L514 VanDerWaalsContact O-CG 3.23Å; K510-L514 WeakPolarHBondContact O-CG 3.47Å; K510-L514 PolarHBondContact O-N 3.14Å; K510-L514 VanDerWaalsContact O-N 3.13Å
511	V	91.1	Very high	87.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73.6	-39.5	177.9	171.3	0	0	0	0	111.3	L425 V428 F432 L464 F468 I507 F508 D509 L514 Y515	L425-V511 HydrophobicContact CD2-CG2 4.05Å; V428-V511 HydrophobicContact CG1-CB 4.5Å; V428-V511 HydrophobicContact CG1-CG1 3.67Å; V428-V511 HydrophobicContact CG1-CG2 3.97Å; F432-V511 HydrophobicContact CE2-CG1 3.94Å; F432-V511 HydrophobicContact CZ-CG1 3.95Å; L464-V511 HydrophobicContact CD1-CG1 3.5Å; L464-V511 VanDerWaalsContact CD1-CG1 3.5Å; F468-V511 HydrophobicContact CE2-CB 4.41Å; F468-V511 HydrophobicContact CE2-CG1 4.01Å; F468-V511 HydrophobicContact CZ-CB 4.33Å; F468-V511 HydrophobicContact CZ-CG1 4.4Å; F468-V511 HydrophobicContact CZ-CG2 4.16Å; I507-V511 WeakPolarHBondContact O-CG2 3.23Å; I507-V511 PolarHBondContact O-N 3.33Å; F508-V511 PolarHBondContact O-N 2.92Å; F508-V511 VanDerWaalsContact O-N 3.16Å; D509-V511 PolarHBondContact O-N 3.14Å; V511-L514 PolarHBondContact O-N 2.92Å; V511-Y515 WeakPolarHBondContact O-CB 3.42Å; V511-Y515 PolarHBondContact O-N 3.41Å
512	I	89.5	Confident	85.2	Confident	12 Å²	12	58 Å²	58	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-48.2	173.3	-69.5	166.5	0	0	0	109.9	F508 D509 L514 Y515 E516 Y531	F508-I512 HydrophobicContact CD1-CD1 3.72Å; F508-I512 HydrophobicContact CE1-CD1 3.49Å; F508-I512 VanDerWaalsContact CE1-CD1 3.49Å; F508-I512 HydrophobicContact CE1-CG1 4.41Å; F508-I512 HydrophobicContact CE2-CD1 4.33Å; F508-I512 HydrophobicContact CE2-CG1 4.42Å; F508-I512 HydrophobicContact CG-CD1 4.25Å; F508-I512 HydrophobicContact CZ-CD1 3.8Å; F508-I512 HydrophobicContact CZ-CG1 4.29Å; F508-I512 WeakPolarHBondContact O-CG1 3.28Å; F508-I512 PolarHBondContact O-N 3.44Å; D509-I512 PolarHBondContact O-N 3.21Å; D509-I512 VanDerWaalsContact O-N 3.13Å; I512-L514 VanDerWaalsContact C-N 3.29Å; I512-L514 PolarHBondContact O-N 3.27Å; I512-Y515 CarbonylContact O-C 3.46Å; I512-Y515 WeakPolarHBondContact O-CA 3.31Å; I512-Y515 WeakPolarHBondContact O-CB 3.28Å; I512-Y515 PolarHBondContact O-N 3.28Å; I512-E516 HydrophobicContact CG2-CG 4.1Å; I512-E516 WeakPolarHBondContact CG2-OE1 3.39Å; I512-E516 WeakPolarHBondContact O-CG 3.47Å; I512-E516 PolarHBondContact O-N 3.38Å; I512-Y531 HydrophobicContact CD1-CD1 4.18Å; I512-Y531 HydrophobicContact CD1-CD2 3.87Å; I512-Y531 HydrophobicContact CD1-CE2 4.26Å; I512-Y531 HydrophobicContact CD1-CG 3.85Å; I512-Y531 HydrophobicContact CG1-CD2 4.47Å; I512-Y531 HydrophobicContact CG1-CE1 4.49Å; I512-Y531 HydrophobicContact CG1-CE2 4.38Å; I512-Y531 HydrophobicContact CG2-CE2 4.21Å
513	D	88.6	Confident	83	Confident	100 Å²	100	64 Å²	64	54%	0.535	32%	0.324	S	S	.	.	H	α-helix	trans	-56.4	-43.9	177.7	-69.8	-19	0	0	0	111.6	D509 H517	D509-D513 VanDerWaalsContact O-CG 3.28Å; D509-D513 PolarHBondContact O-N 2.97Å; D513-H517 WeakPolarHBondContact O-CB 3.4Å; D513-H517 PolarHBondContact O-N 2.96Å
514	L	87.1	Confident	80.7	Confident	71 Å²	71	70.8 Å²	70.8	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.7	-75.8	170.8	0	0	0	112.1	K429 F432 K510 V511 I512 Q518	K429-L514 HydrophobicContact CG-CD1 4.33Å; F432-L514 HydrophobicContact CD2-CB 4.46Å; F432-L514 HydrophobicContact CE2-CB 4.28Å; K510-L514 VanDerWaalsContact O-CG 3.23Å; K510-L514 WeakPolarHBondContact O-CG 3.47Å; K510-L514 PolarHBondContact O-N 3.14Å; K510-L514 VanDerWaalsContact O-N 3.13Å; V511-L514 PolarHBondContact O-N 2.92Å; I512-L514 VanDerWaalsContact C-N 3.29Å; I512-L514 PolarHBondContact O-N 3.27Å; L514-Q518 WeakPolarHBondContact O-CB 3.48Å; L514-Q518 PolarHBondContact O-N 2.84Å
515	Y	88.7	Confident	78.8	Confident	7 Å²	7	76.1 Å²	76.1	3%	0.027	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-47.2	177.6	160.3	-98	0	0	0	111.8	A456 L459 K460 L464 V511 I512 Q518 C519 L521	A456-Y515 VanDerWaalsContact C-OH 3.25Å; A456-Y515 PolarHBondContact O-OH 3.41Å; L459-Y515 HydrophobicContact CB-CE2 4.32Å; L459-Y515 HydrophobicContact CD2-CD2 3.83Å; L459-Y515 HydrophobicContact CD2-CE2 3.88Å; L459-Y515 HydrophobicContact CG-CD2 4.37Å; L459-Y515 HydrophobicContact CG-CE2 4.21Å; K460-Y515 HydrophobicContact CB-CE2 4.48Å; L464-Y515 HydrophobicContact CD2-CD1 4.36Å; L464-Y515 HydrophobicContact CD2-CG 4.31Å; V511-Y515 WeakPolarHBondContact O-CB 3.42Å; V511-Y515 PolarHBondContact O-N 3.41Å; I512-Y515 CarbonylContact O-C 3.46Å; I512-Y515 WeakPolarHBondContact O-CA 3.31Å; I512-Y515 WeakPolarHBondContact O-CB 3.28Å; I512-Y515 PolarHBondContact O-N 3.28Å; Y515-Q518 PolarHBondContact O-N 3.23Å; Y515-C519 WeakPolarHBondContact O-CB 3.43Å; Y515-C519 PolarHBondContact O-N 3.21Å; Y515-C519 PolarHBondContact O-SG 3.03Å; Y515-C519 VanDerWaalsContact O-SG 3.37Å; Y515-L521 HydrophobicContact CE1-CD1 3.74Å
516	E	85.4	Confident	77.1	Confident	56 Å²	56	79 Å²	79	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-67.7	-42.9	-178.4	-70.1	-174.8	176.5	0	0	112	I512 Q518 A520 L521	I512-E516 HydrophobicContact CG2-CG 4.1Å; I512-E516 WeakPolarHBondContact CG2-OE1 3.39Å; I512-E516 WeakPolarHBondContact O-CG 3.47Å; I512-E516 PolarHBondContact O-N 3.38Å; E516-Q518 VanDerWaalsContact C-N 3.34Å; E516-Q518 PolarHBondContact O-N 3.33Å; E516-A520 PolarHBondContact O-N 3.33Å; E516-L521 PolarHBondContact O-N 2.93Å
517	H	83.4	Confident	75.9	Confident	157 Å²	157	85 Å²	85	73%	0.727	42%	0.422	S	S	*	.	H	α-helix	trans	-60.3	-44.3	177.7	-173.6	71	0	0	0	111.8	D513 A520	D513-H517 WeakPolarHBondContact O-CB 3.4Å; D513-H517 PolarHBondContact O-N 2.96Å; H517-A520 PolarHBondContact O-N 3.06Å
518	Q	80.8	Confident	75.3	Confident	106 Å²	106	87.2 Å²	87.2	50%	0.495	44%	0.435	S	S	.	.	H	α-helix	trans	-78.2	-30.9	-175.2	-163.2	69.3	25.8	0	0	113.1	F436 L514 Y515 E516 A520	F436-Q518 HydrophobicContact CB-CG 4Å; F436-Q518 HydrophobicContact CD1-CB 4.33Å; F436-Q518 HydrophobicContact CD1-CG 3.72Å; F436-Q518 HydrophobicContact CD2-CB 4.03Å; F436-Q518 HydrophobicContact CD2-CG 3.34Å; F436-Q518 HydrophobicContact CE1-CB 4.05Å; F436-Q518 HydrophobicContact CE1-CG 3.95Å; F436-Q518 HydrophobicContact CE2-CB 3.64Å; F436-Q518 HydrophobicContact CE2-CG 3.52Å; F436-Q518 HydrophobicContact CG-CB 4.34Å; F436-Q518 HydrophobicContact CG-CG 3.42Å; F436-Q518 VanDerWaalsContact CG-CG 3.42Å; F436-Q518 HydrophobicContact CZ-CB 3.68Å; F436-Q518 HydrophobicContact CZ-CG 3.85Å; L514-Q518 WeakPolarHBondContact O-CB 3.48Å; L514-Q518 PolarHBondContact O-N 2.84Å; Y515-Q518 PolarHBondContact O-N 3.23Å; E516-Q518 VanDerWaalsContact C-N 3.34Å; E516-Q518 PolarHBondContact O-N 3.33Å; Q518-A520 PolarHBondContact O-N 2.77Å
519	C	77	Confident	75	Confident	13 Å²	13	95.9 Å²	95.9	9%	0.088	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4	173.6	-70.2	0	0	0	0	113.5	A456 Y515 L521	A456-C519 HydrophobicContact CB-CB 4.04Å; Y515-C519 WeakPolarHBondContact O-CB 3.43Å; Y515-C519 PolarHBondContact O-N 3.21Å; Y515-C519 PolarHBondContact O-SG 3.03Å; Y515-C519 VanDerWaalsContact O-SG 3.37Å; C519-L521 HydrophobicContact CB-CD1 3.96Å; C519-L521 HydrophobicContact CB-CD2 4.44Å; C519-L521 HydrophobicContact CB-CG 3.69Å; C519-L521 PolarHBondContact O-N 2.93Å; C519-L521 VanDerWaalsContact O-N 3.11Å
520	A	71.4	Confident	74.9	Confident	85 Å²	85	96.5 Å²	96.5	70%	0.702	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.8	-174.5	0	0	0	0	0	113.5	E516 H517 Q518 R522	E516-A520 PolarHBondContact O-N 3.33Å; H517-A520 PolarHBondContact O-N 3.06Å; Q518-A520 PolarHBondContact O-N 2.77Å; A520-R522 PolarHBondContact O-N 3.23Å
521	L	63.7	Low	74.9	Confident	66 Å²	66	92.4 Å²	92.4	35%	0.346	46%	0.457	S	S	.	.			trans	-65.2	133.7	179.5	-66.7	170.4	0	0	0	108.8	A456 Y515 E516 C519 H523	A456-L521 HydrophobicContact CB-CD1 4.2Å; A456-L521 HydrophobicContact CB-CD2 3.94Å; A456-L521 HydrophobicContact CB-CG 4.4Å; Y515-L521 HydrophobicContact CE1-CD1 3.74Å; E516-L521 PolarHBondContact O-N 2.93Å; C519-L521 HydrophobicContact CB-CD1 3.96Å; C519-L521 HydrophobicContact CB-CD2 4.44Å; C519-L521 HydrophobicContact CB-CG 3.69Å; C519-L521 PolarHBondContact O-N 2.93Å; C519-L521 VanDerWaalsContact O-N 3.11Å; L521-H523 PolarHBondContact O-N 2.78Å
522	R	54.3	Low	74.8	Confident	233 Å²	233	94.9 Å²	94.9	88%	0.879	47%	0.474	S	S	*	.			trans	-64	127.4	172.1	-74.5	-177.8	178.9	175.3	1.7	107.9	A520 E524	A520-R522 PolarHBondContact O-N 3.23Å; R522-E524 PolarHBondContact O-N 3.16Å
523	H	47.9	Very low	75	Confident	156 Å²	156	99.2 Å²	99.2	72%	0.722	50%	0.495	S	S	*	.			trans	-66.7	77.8	178.4	-146.3	-49.5	0	0	0	109.5	L521	L521-H523 PolarHBondContact O-N 2.78Å
524	E	45.4	Very low	75.2	Confident	142 Å²	142	94.5 Å²	94.5	66%	0.664	47%	0.469	S	S	*	.			trans	-87.6	117.1	161.2	-73.9	-161.6	174.7	0	0	107.3	R522 I526	R522-E524 PolarHBondContact O-N 3.16Å; E524-I526 HydrophobicContact CB-CD1 4.48Å; E524-I526 HydrophobicContact CB-CG1 4.4Å; E524-I526 PolarHBondContact O-N 2.85Å
525	P	51.6	Low	75.5	Confident	118 Å²	118	93.7 Å²	93.7	77%	0.766	46%	0.463	S	S	*	.			trans	-75.9	43.4	-173.7	33.4	-37	0	0	0	112	E527	P525-E527 PolarHBondContact O-N 3.04Å
526	I	57.3	Low	75.8	Confident	129 Å²	129	96.7 Å²	96.7	66%	0.662	48%	0.482	S	S	*	.			trans	-80.3	107	173.1	-57.5	175.2	0	0	0	105.9	E524 D528	E524-I526 HydrophobicContact CB-CD1 4.48Å; E524-I526 HydrophobicContact CB-CG1 4.4Å; E524-I526 PolarHBondContact O-N 2.85Å; I526-D528 PolarHBondContact O-N 2.84Å
527	E	64.9	Low	76.2	Confident	166 Å²	166	96.7 Å²	96.7	78%	0.776	48%	0.484	S	S	*	.			trans	-52.8	113.6	172.6	-78.6	-174.1	171.8	0	0	109.8	P525 K529	P525-E527 PolarHBondContact O-N 3.04Å; E527-K529 PolarHBondContact O-N 3.46Å
528	D	79.6	Confident	76.7	Confident	53 Å²	53	89.2 Å²	89.2	28%	0.283	45%	0.449	S	S	.	.			trans	-73.7	118.8	-179.4	-157.9	-63.7	0	0	0	109.9	K460 I526 D530 Y531 S532	K460-D528 WeakPolarHBondContact CE-OD2 3.31Å; K460-D528 IonicContact NZ-OD1 2.64Å; K460-D528 PolarHBondContact NZ-OD1 2.86Å; K460-D528 IonicContact NZ-OD2 2.93Å; K460-D528 PolarHBondContact NZ-OD2 3.18Å; I526-D528 PolarHBondContact O-N 2.84Å; D528-D530 PolarHBondContact O-N 3.48Å; D528-D530 VanDerWaalsContact O-N 3.15Å; D528-D530 WeakPolarHBondContact OD1-CB 3.29Å; D528-D530 PolarHBondContact OD1-N 3.33Å; D528-D530 VanDerWaalsContact OD1-N 3.12Å; D528-Y531 HydrophobicContact CB-CD2 3.38Å; D528-Y531 HydrophobicContact CB-CE2 3.88Å; D528-Y531 HydrophobicContact CB-CG 3.85Å; D528-Y531 PolarHBondContact O-N 3.01Å; D528-S532 PolarHBondContact O-N 3.09Å; D528-S532 PolarHBondContact O-OG 3.1Å
529	K	85.7	Confident	77.4	Confident	181 Å²	181	88 Å²	88	79%	0.787	44%	0.443	S	S	*	.	H	α-helix	trans	-57.2	-33	-177.9	-69.1	-175.8	178.4	179.6	0	112.6	E527 Q533	E527-K529 PolarHBondContact O-N 3.46Å; K529-Q533 WeakPolarHBondContact O-CB 3.21Å; K529-Q533 PolarHBondContact O-N 3.08Å
530	D	88.2	Confident	78.1	Confident	67 Å²	67	90.9 Å²	90.9	36%	0.358	46%	0.46	S	S	.	.	H	α-helix	trans	-70.5	-38.1	179.5	-71.3	-43.1	0	0	0	111.7	K460 L465 R469 D528 L534	K460-D530 IonicContact NZ-OD2 3.93Å; L465-D530 HydrophobicContact CD1-CB 3.67Å; L465-D530 HydrophobicContact CD2-CB 4.02Å; R469-D530 IonicContact NH2-OD1 2.78Å; D528-D530 PolarHBondContact O-N 3.48Å; D528-D530 VanDerWaalsContact O-N 3.15Å; D528-D530 WeakPolarHBondContact OD1-CB 3.29Å; D528-D530 PolarHBondContact OD1-N 3.33Å; D528-D530 VanDerWaalsContact OD1-N 3.12Å; D530-L534 WeakPolarHBondContact O-CB 3.5Å; D530-L534 PolarHBondContact O-N 3.3Å
531	Y	90.8	Very high	79.2	Confident	22 Å²	22	87.2 Å²	87.2	9%	0.086	43%	0.429	C	S	.	.	H	α-helix	trans	-67	-45.5	175.7	-62.8	-24.6	0	0	0	110.8	K460 L464 L465 F508 I512 D528 Q533 L534 K535	K460-Y531 HydrophobicContact CD-CE1 4.15Å; K460-Y531 WeakPolarHBondContact CD-OH 3.11Å; K460-Y531 VanDerWaalsContact CE-CE1 3.48Å; K460-Y531 HydrophobicContact CG-CE1 4.1Å; L464-Y531 HydrophobicContact CD2-CE1 3.86Å; L465-Y531 HydrophobicContact CD2-CD1 3.8Å; L465-Y531 HydrophobicContact CD2-CE1 3.96Å; F508-Y531 HydrophobicContact CE1-CD1 4.22Å; F508-Y531 HydrophobicContact CE1-CG 4.36Å; F508-Y531 AromaticContact CZ-CD1 3.77Å; F508-Y531 HydrophobicContact CZ-CD1 3.77Å; F508-Y531 HydrophobicContact CZ-CE1 4.44Å; F508-Y531 HydrophobicContact CZ-CG 4.36Å; I512-Y531 HydrophobicContact CD1-CD1 4.18Å; I512-Y531 HydrophobicContact CD1-CD2 3.87Å; I512-Y531 HydrophobicContact CD1-CE2 4.26Å; I512-Y531 HydrophobicContact CD1-CG 3.85Å; I512-Y531 HydrophobicContact CG1-CD2 4.47Å; I512-Y531 HydrophobicContact CG1-CE1 4.49Å; I512-Y531 HydrophobicContact CG1-CE2 4.38Å; I512-Y531 HydrophobicContact CG2-CE2 4.21Å; D528-Y531 HydrophobicContact CB-CD2 3.38Å; D528-Y531 HydrophobicContact CB-CE2 3.88Å; D528-Y531 HydrophobicContact CB-CG 3.85Å; D528-Y531 PolarHBondContact O-N 3.01Å; Y531-Q533 PolarHBondContact O-N 2.96Å; Y531-L534 PolarHBondContact O-N 2.98Å; Y531-K535 WeakPolarHBondContact O-CG 3.4Å; Y531-K535 PolarHBondContact O-N 2.66Å
532	S	90.2	Very high	80.7	Confident	52 Å²	52	84.2 Å²	84.2	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-42.9	176.8	-60	0	0	0	0	111.9	D528 K535 V536	D528-S532 PolarHBondContact O-N 3.09Å; D528-S532 PolarHBondContact O-OG 3.1Å; S532-K535 PolarHBondContact O-N 3.23Å; S532-V536 WeakPolarHBondContact O-CG2 2.9Å; S532-V536 PolarHBondContact O-N 3.09Å; S532-V536 VanDerWaalsContact O-N 3.07Å
533	Q	93.1	Very high	82.4	Confident	104 Å²	104	79.7 Å²	79.7	49%	0.486	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-44.2	176.9	-176.5	59.6	42.9	0	0	111.9	K529 Y531 K535 V536 D537	K529-Q533 WeakPolarHBondContact O-CB 3.21Å; K529-Q533 PolarHBondContact O-N 3.08Å; Y531-Q533 PolarHBondContact O-N 2.96Å; Q533-K535 VanDerWaalsContact C-N 3.34Å; Q533-K535 PolarHBondContact O-N 2.84Å; Q533-V536 WeakPolarHBondContact O-CB 3.39Å; Q533-V536 PolarHBondContact O-N 3.27Å; Q533-D537 PolarHBondContact NE2-OD1 3.23Å; Q533-D537 VanDerWaalsContact O-CG 3.24Å; Q533-D537 PolarHBondContact O-N 3.13Å
534	L	92.7	Very high	84.5	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-65.8	-36.6	-179.5	-177.2	60.3	0	0	0	112.3	L465 F468 R469 V472 F508 D530 Y531 D537 L538	L465-L534 HydrophobicContact CD2-CD2 4.07Å; F468-L534 HydrophobicContact CB-CD1 4.13Å; F468-L534 HydrophobicContact CB-CD2 3.39Å; F468-L534 HydrophobicContact CB-CG 4.17Å; F468-L534 HydrophobicContact CG-CD2 4.15Å; R469-L534 HydrophobicContact CG-CD1 4.01Å; V472-L534 HydrophobicContact CG2-CD1 4.23Å; F508-L534 HydrophobicContact CD2-CD2 4.44Å; F508-L534 HydrophobicContact CE1-CD2 4.17Å; F508-L534 HydrophobicContact CE2-CD2 3.58Å; F508-L534 HydrophobicContact CZ-CB 4.45Å; F508-L534 HydrophobicContact CZ-CD2 3.42Å; F508-L534 VanDerWaalsContact CZ-CD2 3.42Å; F508-L534 HydrophobicContact CZ-CG 4.26Å; D530-L534 WeakPolarHBondContact O-CB 3.5Å; D530-L534 PolarHBondContact O-N 3.3Å; Y531-L534 PolarHBondContact O-N 2.98Å; L534-D537 PolarHBondContact O-N 2.87Å; L534-L538 HydrophobicContact CG-CD1 4.49Å; L534-L538 WeakPolarHBondContact O-CG 3.09Å; L534-L538 PolarHBondContact O-N 3.45Å
535	K	93.8	Very high	86.7	Confident	54 Å²	54	68.6 Å²	68.6	24%	0.235	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-45.8	170.8	-74.4	-172.6	179.4	-168.6	0	111.5	F508 D509 Y531 S532 Q533 D537 L538 E539	F508-K535 HydrophobicContact CD1-CD 4.42Å; F508-K535 HydrophobicContact CD1-CG 3.74Å; F508-K535 HydrophobicContact CE1-CG 4.12Å; D509-K535 WeakPolarHBondContact OD1-CE 3.25Å; D509-K535 IonicContact OD1-NZ 3.21Å; D509-K535 PolarHBondContact OD1-NZ 3.07Å; D509-K535 IonicContact OD2-NZ 3.79Å; D509-K535 PolarHBondContact OD2-NZ 3.11Å; Y531-K535 WeakPolarHBondContact O-CG 3.4Å; Y531-K535 PolarHBondContact O-N 2.66Å; S532-K535 PolarHBondContact O-N 3.23Å; Q533-K535 VanDerWaalsContact C-N 3.34Å; Q533-K535 PolarHBondContact O-N 2.84Å; K535-D537 VanDerWaalsContact C-N 3.29Å; K535-D537 PolarHBondContact O-N 3.03Å; K535-L538 PolarHBondContact O-N 3.46Å; K535-E539 WeakPolarHBondContact O-CG 3.5Å; K535-E539 PolarHBondContact O-N 2.92Å
536	V	94.3	Very high	88.6	Confident	70 Å²	70	63 Å²	63	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-40.3	176	171.4	0	0	0	0	111.3	S532 Q533 E539 T540	S532-V536 WeakPolarHBondContact O-CG2 2.9Å; S532-V536 PolarHBondContact O-N 3.09Å; S532-V536 VanDerWaalsContact O-N 3.07Å; Q533-V536 WeakPolarHBondContact O-CB 3.39Å; Q533-V536 PolarHBondContact O-N 3.27Å; V536-E539 PolarHBondContact O-N 3.39Å; V536-T540 VanDerWaalsContact O-CB 3.24Å; V536-T540 WeakPolarHBondContact O-CB 2.97Å; V536-T540 PolarHBondContact O-N 3.45Å; V536-T540 PolarHBondContact O-OG1 3.39Å
537	D	94.3	Very high	90.2	Very high	56 Å²	56	59.2 Å²	59.2	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.5	-65.7	-17.3	0	0	0	111.3	Q533 L534 K535 T540 L541	Q533-D537 PolarHBondContact NE2-OD1 3.23Å; Q533-D537 VanDerWaalsContact O-CG 3.24Å; Q533-D537 PolarHBondContact O-N 3.13Å; L534-D537 PolarHBondContact O-N 2.87Å; K535-D537 VanDerWaalsContact C-N 3.29Å; K535-D537 PolarHBondContact O-N 3.03Å; D537-T540 PolarHBondContact O-N 3.08Å; D537-L541 VanDerWaalsContact O-CB 3.27Å; D537-L541 WeakPolarHBondContact O-CB 3.22Å; D537-L541 PolarHBondContact O-N 3.3Å
538	L	94.7	Very high	91.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-44.6	175.5	-77.1	164	0	0	0	112.3	V472 C500 C503 A504 L534 K535 L541 S542	V472-L538 HydrophobicContact CG2-CD2 3.56Å; V472-L538 HydrophobicContact CG2-CG 3.81Å; C500-L538 HydrophobicContact CB-CD2 4.48Å; C503-L538 HydrophobicContact CB-CD1 4.09Å; C503-L538 HydrophobicContact CB-CD2 4.06Å; A504-L538 HydrophobicContact CB-CB 3.87Å; L534-L538 HydrophobicContact CG-CD1 4.49Å; L534-L538 WeakPolarHBondContact O-CG 3.09Å; L534-L538 PolarHBondContact O-N 3.45Å; K535-L538 PolarHBondContact O-N 3.46Å; L538-L541 PolarHBondContact O-N 2.95Å; L538-S542 WeakPolarHBondContact O-CB 3.5Å; L538-S542 PolarHBondContact O-N 2.83Å; L538-S542 PolarHBondContact O-OG 3.19Å
539	E	94.1	Very high	91.8	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-44.1	175.7	-73.5	-177.3	-175.1	0	0	111.5	A504 K535 V536 L541 S542 R543	A504-E539 HydrophobicContact CB-CG 3.72Å; K535-E539 WeakPolarHBondContact O-CG 3.5Å; K535-E539 PolarHBondContact O-N 2.92Å; V536-E539 PolarHBondContact O-N 3.39Å; E539-L541 VanDerWaalsContact C-N 3.33Å; E539-L541 PolarHBondContact O-N 2.94Å; E539-S542 WeakPolarHBondContact CA-OG 3.33Å; E539-S542 PolarHBondContact O-N 3.42Å; E539-S542 PolarHBondContact O-OG 3.34Å; E539-R543 WeakPolarHBondContact O-CG 3.32Å; E539-R543 PolarHBondContact O-N 3.04Å; E539-R543 IonicContact OE2-NH2 2.83Å
540	T	93.1	Very high	92.1	Very high	73 Å²	73	41.7 Å²	41.7	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-40.9	178.2	-58.2	0	0	0	0	111.1	V536 D537 R543 T544	V536-T540 VanDerWaalsContact O-CB 3.24Å; V536-T540 WeakPolarHBondContact O-CB 2.97Å; V536-T540 PolarHBondContact O-N 3.45Å; V536-T540 PolarHBondContact O-OG1 3.39Å; D537-T540 PolarHBondContact O-N 3.08Å; T540-R543 PolarHBondContact O-N 3.17Å; T540-T544 WeakPolarHBondContact O-CB 3.47Å; T540-T544 PolarHBondContact O-N 3.18Å; T540-T544 PolarHBondContact O-OG1 2.88Å
541	L	94.1	Very high	92.1	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-45.3	175.9	179.1	58.8	0	0	0	111.6	V472 C475 N476 D537 L538 E539 R543 T544 L545	V472-L541 HydrophobicContact CB-CD2 4.31Å; V472-L541 HydrophobicContact CG1-CD2 4.04Å; V472-L541 VanDerWaalsContact O-CD2 3.31Å; V472-L541 WeakPolarHBondContact O-CD2 3.26Å; C475-L541 HydrophobicContact CB-CD2 3.64Å; N476-L541 HydrophobicContact CB-CD1 3.87Å; D537-L541 VanDerWaalsContact O-CB 3.27Å; D537-L541 WeakPolarHBondContact O-CB 3.22Å; D537-L541 PolarHBondContact O-N 3.3Å; L538-L541 PolarHBondContact O-N 2.95Å; E539-L541 VanDerWaalsContact C-N 3.33Å; E539-L541 PolarHBondContact O-N 2.94Å; L541-R543 VanDerWaalsContact C-N 3.29Å; L541-R543 PolarHBondContact O-N 2.71Å; L541-T544 PolarHBondContact O-N 3.37Å; L541-T544 VanDerWaalsContact O-N 3.14Å; L541-L545 HydrophobicContact CD1-CD1 4.12Å; L541-L545 HydrophobicContact CD1-CG 4.15Å; L541-L545 HydrophobicContact CG-CD1 3.91Å; L541-L545 HydrophobicContact CG-CG 4.43Å; L541-L545 WeakPolarHBondContact O-CG 3.23Å; L541-L545 PolarHBondContact O-N 2.69Å
542	S	93.8	Very high	92	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-43.5	177	71.7	0	0	0	0	111.6	C497 L538 E539 L545 L546 F661	C497-S542 WeakPolarHBondContact O-CB 3.31Å; C497-S542 PolarHBondContact SG-O 2.91Å; L538-S542 WeakPolarHBondContact O-CB 3.5Å; L538-S542 PolarHBondContact O-N 2.83Å; L538-S542 PolarHBondContact O-OG 3.19Å; E539-S542 WeakPolarHBondContact CA-OG 3.33Å; E539-S542 PolarHBondContact O-N 3.42Å; E539-S542 PolarHBondContact O-OG 3.34Å; S542-L545 PolarHBondContact O-N 3.35Å; S542-L546 PolarHBondContact O-N 3.14Å; S542-F661 WeakPolarHBondContact OG-CZ 3.43Å
543	R	91.3	Very high	92	Very high	139 Å²	139	41.2 Å²	41.2	53%	0.525	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-46	174.9	-73.2	172.1	-169.4	176.1	9.2	112.1	E539 T540 L541 L545 L546 D547 F661	E539-R543 WeakPolarHBondContact O-CG 3.32Å; E539-R543 PolarHBondContact O-N 3.04Å; E539-R543 IonicContact OE2-NH2 2.83Å; T540-R543 PolarHBondContact O-N 3.17Å; L541-R543 VanDerWaalsContact C-N 3.29Å; L541-R543 PolarHBondContact O-N 2.71Å; R543-L545 VanDerWaalsContact C-N 3.31Å; R543-L545 PolarHBondContact O-N 3.1Å; R543-L546 WeakPolarHBondContact O-CB 3.41Å; R543-L546 PolarHBondContact O-N 2.73Å; R543-L546 VanDerWaalsContact O-N 3.14Å; R543-D547 PolarHBondContact O-N 3.08Å; R543-F661 HydrophobicContact CG-CE2 3.55Å; R543-F661 HydrophobicContact CG-CZ 4.05Å
544	T	91	Very high	91.9	Very high	64 Å²	64	36.3 Å²	36.3	39%	0.393	18%	0.181	S	C	.	.	H	α-helix	trans	-60.8	-41.7	178.7	-56	0	0	0	0	111.4	T540 L541 R548	T540-T544 WeakPolarHBondContact O-CB 3.47Å; T540-T544 PolarHBondContact O-N 3.18Å; T540-T544 PolarHBondContact O-OG1 2.88Å; L541-T544 PolarHBondContact O-N 3.37Å; L541-T544 VanDerWaalsContact O-N 3.14Å; T544-R548 VanDerWaalsContact O-CB 3.29Å; T544-R548 WeakPolarHBondContact O-CB 3.49Å; T544-R548 PolarHBondContact O-N 2.84Å
545	L	91.6	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-40.4	175	-73	164.1	0	0	0	111.6	C479 I493 L496 C497 L541 S542 R543 R548 F549	C479-L545 WeakPolarHBondContact SG-CD2 3.37Å; I493-L545 HydrophobicContact CG2-CB 4.26Å; I493-L545 HydrophobicContact CG2-CD2 3.97Å; I493-L545 VanDerWaalsContact CG2-O 3.28Å; I493-L545 WeakPolarHBondContact CG2-O 3.46Å; L496-L545 HydrophobicContact CB-CD1 4.01Å; C497-L545 HydrophobicContact CB-CB 3.73Å; L541-L545 HydrophobicContact CD1-CD1 4.12Å; L541-L545 HydrophobicContact CD1-CG 4.15Å; L541-L545 HydrophobicContact CG-CD1 3.91Å; L541-L545 HydrophobicContact CG-CG 4.43Å; L541-L545 WeakPolarHBondContact O-CG 3.23Å; L541-L545 PolarHBondContact O-N 2.69Å; S542-L545 PolarHBondContact O-N 3.35Å; R543-L545 VanDerWaalsContact C-N 3.31Å; R543-L545 PolarHBondContact O-N 3.1Å; L545-R548 PolarHBondContact O-N 2.95Å; L545-F549 WeakPolarHBondContact O-CB 3.41Å; L545-F549 PolarHBondContact O-N 2.62Å
546	L	92.2	Very high	91.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-49.3	176.4	-168.5	62.5	0	0	0	111.9	S542 R543 R548 F549 V550 L601 A659 F661 V666	S542-L546 PolarHBondContact O-N 3.14Å; R543-L546 WeakPolarHBondContact O-CB 3.41Å; R543-L546 PolarHBondContact O-N 2.73Å; R543-L546 VanDerWaalsContact O-N 3.14Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.14Å; L546-F549 WeakPolarHBondContact O-CB 3.42Å; L546-F549 PolarHBondContact O-N 2.91Å; L546-V550 WeakPolarHBondContact O-CG2 3.28Å; L546-V550 PolarHBondContact O-N 3.38Å; L546-L601 HydrophobicContact CD1-CD1 4.17Å; L546-A659 HydrophobicContact CD2-CB 4.35Å; L546-F661 HydrophobicContact CD2-CD1 4.06Å; L546-F661 HydrophobicContact CD2-CD2 4.23Å; L546-F661 HydrophobicContact CD2-CE1 4.13Å; L546-F661 HydrophobicContact CD2-CE2 4.3Å; L546-F661 HydrophobicContact CD2-CG 4.11Å; L546-F661 HydrophobicContact CD2-CZ 4.23Å; L546-V666 HydrophobicContact CD1-CG2 3.65Å; L546-V666 HydrophobicContact CD2-CG2 4.31Å; L546-V666 HydrophobicContact CG-CG2 4.22Å
547	D	89.9	Confident	91.4	Very high	49 Å²	49	40 Å²	40	26%	0.262	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-40.4	177.3	-74.9	-20.9	0	0	0	110.8	R543 V550 M551	R543-D547 PolarHBondContact O-N 3.08Å; D547-V550 PolarHBondContact O-N 2.89Å; D547-M551 WeakPolarHBondContact O-CB 3.31Å; D547-M551 WeakPolarHBondContact O-CG 3.34Å; D547-M551 PolarHBondContact O-N 2.68Å
548	R	88.3	Confident	91.2	Very high	27 Å²	27	37.4 Å²	37.4	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-42.8	175.7	-174.9	59.5	167.7	140.8	0.5	112	E481 I493 T544 L545 L546 M551 L552	E481-R548 PolarHBondContact O-NH2 3.12Å; I493-R548 HydrophobicContact CD1-CG 4.41Å; T544-R548 VanDerWaalsContact O-CB 3.29Å; T544-R548 WeakPolarHBondContact O-CB 3.49Å; T544-R548 PolarHBondContact O-N 2.84Å; L545-R548 PolarHBondContact O-N 2.95Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.14Å; R548-M551 PolarHBondContact O-N 2.94Å; R548-L552 HydrophobicContact CG-CD1 4.05Å; R548-L552 WeakPolarHBondContact O-CB 3.42Å; R548-L552 WeakPolarHBondContact O-CG 3.46Å; R548-L552 PolarHBondContact O-N 3.16Å
549	F	91	Very high	91.1	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-51	175	172.6	-98.2	0	0	0	111.3	T490 I493 L494 L545 L546 M551 L552 E553 I593 V597 V666 I670	T490-F549 VanDerWaalsContact O-CD2 3.31Å; T490-F549 WeakPolarHBondContact O-CD2 3.39Å; I493-F549 HydrophobicContact CG2-CB 3.98Å; L494-F549 HydrophobicContact CB-CD2 3.93Å; L494-F549 HydrophobicContact CB-CE2 3.95Å; L494-F549 HydrophobicContact CB-CG 4.44Å; L494-F549 HydrophobicContact CB-CZ 4.47Å; L494-F549 HydrophobicContact CD1-CD1 4.09Å; L494-F549 HydrophobicContact CD1-CE1 4.1Å; L494-F549 HydrophobicContact CD1-CG 4.32Å; L494-F549 HydrophobicContact CD1-CZ 4.32Å; L494-F549 HydrophobicContact CD2-CE2 4.23Å; L494-F549 HydrophobicContact CD2-CZ 4.03Å; L494-F549 HydrophobicContact CG-CE2 4.47Å; L545-F549 WeakPolarHBondContact O-CB 3.41Å; L545-F549 PolarHBondContact O-N 2.62Å; L546-F549 WeakPolarHBondContact O-CB 3.42Å; L546-F549 PolarHBondContact O-N 2.91Å; F549-M551 VanDerWaalsContact C-N 3.3Å; F549-M551 PolarHBondContact O-N 3.2Å; F549-L552 PolarHBondContact O-N 3.39Å; F549-E553 HydrophobicContact CD2-CG 4.14Å; F549-E553 HydrophobicContact CE1-CG 4.24Å; F549-E553 HydrophobicContact CE2-CG 3.66Å; F549-E553 HydrophobicContact CZ-CG 3.72Å; F549-E553 PolarHBondContact O-N 3.49Å; F549-I593 HydrophobicContact CZ-CG2 4.27Å; F549-V597 HydrophobicContact CE1-CG2 3.69Å; F549-V597 HydrophobicContact CZ-CG2 3.85Å; F549-V666 HydrophobicContact CD1-CG1 4.03Å; F549-V666 HydrophobicContact CE1-CG1 3.77Å; F549-I670 HydrophobicContact CE1-CD1 4.33Å
550	V	91.9	Very high	91	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-44.6	177.3	170.3	0	0	0	0	111.1	L546 D547 G554 I657 A659 V666 I670 I673	L546-V550 WeakPolarHBondContact O-CG2 3.28Å; L546-V550 PolarHBondContact O-N 3.38Å; D547-V550 PolarHBondContact O-N 2.89Å; V550-G554 WeakPolarHBondContact O-CA 3.43Å; V550-G554 PolarHBondContact O-N 3.31Å; V550-I657 HydrophobicContact CG1-CG2 4.43Å; V550-A659 HydrophobicContact CG2-CB 4.09Å; V550-V666 HydrophobicContact CG2-CB 4.37Å; V550-V666 HydrophobicContact CG2-CG1 3.89Å; V550-V666 HydrophobicContact CG2-CG2 4.47Å; V550-I670 HydrophobicContact CB-CG1 4.46Å; V550-I670 HydrophobicContact CG1-CG1 4.12Å; V550-I673 HydrophobicContact CG1-CD1 3.99Å
551	M	88.8	Confident	90.9	Very high	91 Å²	91	36 Å²	36	45%	0.448	17%	0.169	S	C	.	.	H	α-helix	trans	-63.5	-44.4	177.3	-77.2	-167.1	-71.3	0	0	112.9	D547 R548 F549 F555 I673	D547-M551 WeakPolarHBondContact O-CB 3.31Å; D547-M551 WeakPolarHBondContact O-CG 3.34Å; D547-M551 PolarHBondContact O-N 2.68Å; R548-M551 PolarHBondContact O-N 2.94Å; F549-M551 VanDerWaalsContact C-N 3.3Å; F549-M551 PolarHBondContact O-N 3.2Å; M551-F555 WeakPolarHBondContact O-CB 3.33Å; M551-F555 PolarHBondContact O-N 3.39Å; M551-I673 HydrophobicContact CG-CD1 4.47Å
552	L	87.9	Confident	90.8	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.11	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-47.5	-177.8	-76	172	0	0	0	112	T490 I493 R548 F549 F555 Q556	T490-L552 HydrophobicContact CG2-CB 3.9Å; T490-L552 HydrophobicContact CG2-CD1 4.26Å; I493-L552 HydrophobicContact CD1-CD1 3.43Å; I493-L552 VanDerWaalsContact CD1-CD1 3.43Å; R548-L552 HydrophobicContact CG-CD1 4.05Å; R548-L552 WeakPolarHBondContact O-CB 3.42Å; R548-L552 WeakPolarHBondContact O-CG 3.46Å; R548-L552 PolarHBondContact O-N 3.16Å; F549-L552 PolarHBondContact O-N 3.39Å; L552-F555 PolarHBondContact O-N 3.46Å; L552-Q556 VanDerWaalsContact O-CG 3.29Å; L552-Q556 WeakPolarHBondContact O-CG 3.45Å; L552-Q556 PolarHBondContact O-N 2.75Å
553	E	90.3	Very high	90.8	Very high	20 Å²	20	43 Å²	43	9%	0.093	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-43.1	177	-71	-62.7	161.9	0	0	111.3	T490 F549 F555 Q556 L557 I593 I670	T490-E553 WeakPolarHBondContact CB-OE1 2.98Å; T490-E553 HydrophobicContact CG2-CG 4.43Å; T490-E553 WeakPolarHBondContact CG2-OE1 3.38Å; T490-E553 PolarHBondContact OG1-OE1 2.93Å; F549-E553 HydrophobicContact CD2-CG 4.14Å; F549-E553 HydrophobicContact CE1-CG 4.24Å; F549-E553 HydrophobicContact CE2-CG 3.66Å; F549-E553 HydrophobicContact CZ-CG 3.72Å; F549-E553 PolarHBondContact O-N 3.49Å; E553-F555 VanDerWaalsContact C-N 3.31Å; E553-F555 PolarHBondContact O-N 3.08Å; E553-Q556 PolarHBondContact O-N 3.18Å; E553-L557 PolarHBondContact O-N 3.22Å; E553-I593 HydrophobicContact CB-CD1 4.22Å; E553-I593 HydrophobicContact CG-CD1 4.44Å; E553-I593 VanDerWaalsContact OE2-CD1 3.32Å; E553-I593 WeakPolarHBondContact OE2-CD1 3.24Å; E553-I670 HydrophobicContact CB-CD1 3.8Å; E553-I670 HydrophobicContact CB-CG1 4.24Å
554	G	91.1	Very high	90.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-41.9	174.3	0	0	0	0	0	112.8	V550 S558	V550-G554 WeakPolarHBondContact O-CA 3.43Å; V550-G554 PolarHBondContact O-N 3.31Å; G554-S558 VanDerWaalsContact O-CB 3.25Å; G554-S558 WeakPolarHBondContact O-CB 3.48Å; G554-S558 PolarHBondContact O-N 2.96Å; G554-S558 PolarHBondContact O-OG 3.41Å
555	F	88.9	Confident	90.7	Very high	100 Å²	100	34.1 Å²	34.1	44%	0.439	16%	0.163	S	C	.	.	H	α-helix	trans	-70.5	-38.5	176.8	-176.8	-112.4	0	0	0	112.9	M551 L552 E553 S558 Q559	M551-F555 WeakPolarHBondContact O-CB 3.33Å; M551-F555 PolarHBondContact O-N 3.39Å; L552-F555 PolarHBondContact O-N 3.46Å; E553-F555 VanDerWaalsContact C-N 3.31Å; E553-F555 PolarHBondContact O-N 3.08Å; F555-S558 WeakPolarHBondContact CA-OG 3.27Å; F555-S558 PolarHBondContact O-N 3.04Å; F555-S558 PolarHBondContact O-OG 3.07Å; F555-S558 VanDerWaalsContact O-OG 3.12Å; F555-Q559 HydrophobicContact CD1-CG 4.31Å; F555-Q559 HydrophobicContact CE1-CG 4.07Å; F555-Q559 HydrophobicContact CE2-CG 4.23Å; F555-Q559 HydrophobicContact CZ-CG 4Å; F555-Q559 WeakPolarHBondContact O-CB 3.29Å; F555-Q559 WeakPolarHBondContact O-CG 3.4Å; F555-Q559 PolarHBondContact O-N 3.47Å
556	Q	89.2	Confident	90.5	Very high	95 Å²	95	39.6 Å²	39.6	44%	0.444	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-47.2	175.7	-76	177.7	34.7	0	0	111.4	L552 E553	L552-Q556 VanDerWaalsContact O-CG 3.29Å; L552-Q556 WeakPolarHBondContact O-CG 3.45Å; L552-Q556 PolarHBondContact O-N 2.75Å; E553-Q556 PolarHBondContact O-N 3.18Å
557	L	91.7	Very high	90.4	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-41.6	175.7	-65.6	-176.7	0	0	0	111.9	E553 Q559 M560 D589 L590 I593 I670	E553-L557 PolarHBondContact O-N 3.22Å; L557-Q559 PolarHBondContact O-N 2.83Å; L557-M560 WeakPolarHBondContact O-CB 3.49Å; L557-M560 PolarHBondContact O-N 3.11Å; L557-D589 HydrophobicContact CD2-CB 3.66Å; L557-L590 HydrophobicContact CD1-CB 4.45Å; L557-L590 HydrophobicContact CD1-CD1 4.33Å; L557-I593 HydrophobicContact CD1-CD1 3.97Å; L557-I593 HydrophobicContact CD2-CD1 4.44Å; L557-I593 HydrophobicContact CG-CD1 4.29Å; L557-I670 HydrophobicContact CD1-CG2 3.66Å
558	S	91	Very high	90.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-33.8	-179	78.2	0	0	0	0	112.9	G554 F555 M560 L561 V562	G554-S558 VanDerWaalsContact O-CB 3.25Å; G554-S558 WeakPolarHBondContact O-CB 3.48Å; G554-S558 PolarHBondContact O-N 2.96Å; G554-S558 PolarHBondContact O-OG 3.41Å; F555-S558 WeakPolarHBondContact CA-OG 3.27Å; F555-S558 PolarHBondContact O-N 3.04Å; F555-S558 PolarHBondContact O-OG 3.07Å; F555-S558 VanDerWaalsContact O-OG 3.12Å; S558-M560 PolarHBondContact O-N 2.83Å; S558-L561 WeakPolarHBondContact O-CB 3.39Å; S558-L561 PolarHBondContact O-N 3.35Å; S558-V562 WeakPolarHBondContact O-CG2 3.3Å; S558-V562 PolarHBondContact O-N 3.39Å
559	Q	91.8	Very high	90.4	Very high	69 Å²	69	50.1 Å²	50.1	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-58.1	-34.2	172.1	-84.7	-162.3	13.2	0	0	112.5	F555 L557 L561 V562 K563	F555-Q559 HydrophobicContact CD1-CG 4.31Å; F555-Q559 HydrophobicContact CE1-CG 4.07Å; F555-Q559 HydrophobicContact CE2-CG 4.23Å; F555-Q559 HydrophobicContact CZ-CG 4Å; F555-Q559 WeakPolarHBondContact O-CB 3.29Å; F555-Q559 WeakPolarHBondContact O-CG 3.4Å; F555-Q559 PolarHBondContact O-N 3.47Å; L557-Q559 PolarHBondContact O-N 2.83Å; Q559-L561 VanDerWaalsContact C-N 3.32Å; Q559-V562 PolarHBondContact O-N 2.94Å; Q559-K563 WeakPolarHBondContact O-CB 3.29Å; Q559-K563 WeakPolarHBondContact O-CG 3.32Å; Q559-K563 PolarHBondContact O-N 3.23Å
560	M	92.1	Very high	90.5	Very high	53 Å²	53	50.4 Å²	50.4	26%	0.261	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-41.6	175.7	-60.7	-179.6	62	0	0	111	L557 S558 S564 V582 R585	L557-M560 WeakPolarHBondContact O-CB 3.49Å; L557-M560 PolarHBondContact O-N 3.11Å; S558-M560 PolarHBondContact O-N 2.83Å; M560-S564 VanDerWaalsContact O-CB 3.24Å; M560-S564 WeakPolarHBondContact O-CB 3.48Å; M560-S564 PolarHBondContact O-N 3.31Å; M560-S564 PolarHBondContact O-OG 3.49Å; M560-V582 HydrophobicContact CB-CG1 4.03Å; M560-R585 HydrophobicContact CE-CB 3.99Å; M560-R585 HydrophobicContact CE-CG 3.34Å
561	L	91.3	Very high	90.5	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-48	175.1	-69.4	176.6	0	0	0	111.9	S558 Q559 S564 A565 V582 I583 I586 C674 F678	S558-L561 WeakPolarHBondContact O-CB 3.39Å; S558-L561 PolarHBondContact O-N 3.35Å; Q559-L561 VanDerWaalsContact C-N 3.32Å; L561-S564 PolarHBondContact O-N 3.35Å; L561-S564 PolarHBondContact O-OG 3.48Å; L561-A565 WeakPolarHBondContact O-CB 3.4Å; L561-A565 PolarHBondContact O-N 3.31Å; L561-V582 HydrophobicContact CD2-CG1 4.39Å; L561-I583 HydrophobicContact CD2-CD1 3.67Å; L561-I586 HydrophobicContact CD1-CD1 4.02Å; L561-I586 HydrophobicContact CD2-CD1 3.22Å; L561-I586 HydrophobicContact CG-CD1 3.37Å; L561-C674 VanDerWaalsContact CD1-SG 3.5Å; L561-F678 HydrophobicContact CD1-CB 3.71Å; L561-F678 HydrophobicContact CD1-CD2 4.17Å; L561-F678 HydrophobicContact CD1-CG 3.9Å; L561-F678 HydrophobicContact CD2-CD2 4.32Å; L561-F678 HydrophobicContact CD2-CE2 4.48Å
562	V	91.5	Very high	90.6	Very high	37 Å²	37	53.9 Å²	53.9	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-55.1	-55.2	178.2	174.9	0	0	0	0	110.1	S558 Q559 S564 A565 E566 T677 V681	S558-V562 WeakPolarHBondContact O-CG2 3.3Å; S558-V562 PolarHBondContact O-N 3.39Å; Q559-V562 PolarHBondContact O-N 2.94Å; V562-S564 VanDerWaalsContact C-N 3.33Å; V562-S564 PolarHBondContact O-N 3.05Å; V562-A565 PolarHBondContact O-N 3.17Å; V562-A565 VanDerWaalsContact O-N 3.11Å; V562-E566 WeakPolarHBondContact CG1-OE1 3.29Å; V562-E566 WeakPolarHBondContact O-CG 3.04Å; V562-E566 PolarHBondContact O-N 2.58Å; V562-T677 HydrophobicContact CG2-CG2 3.72Å; V562-V681 HydrophobicContact CB-CG2 4.22Å; V562-V681 HydrophobicContact CG2-CG2 3.52Å
563	K	93	Very high	90.6	Very high	121 Å²	121	53.4 Å²	53.4	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-44.2	178.9	-72.4	176.1	-178	170.5	0	111.5	Q559 A565 E566 T567	Q559-K563 WeakPolarHBondContact O-CB 3.29Å; Q559-K563 WeakPolarHBondContact O-CG 3.32Å; Q559-K563 PolarHBondContact O-N 3.23Å; K563-A565 PolarHBondContact O-N 3Å; K563-E566 PolarHBondContact O-N 3.36Å; K563-T567 WeakPolarHBondContact O-CG2 3.29Å; K563-T567 PolarHBondContact O-N 3.19Å; K563-T567 PolarHBondContact O-OG1 2.59Å
564	S	91.3	Very high	90.6	Very high	14 Å²	14	58 Å²	58	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-32.4	179.2	81.5	0	0	0	0	113.5	M560 L561 V562 R580	M560-S564 VanDerWaalsContact O-CB 3.24Å; M560-S564 WeakPolarHBondContact O-CB 3.48Å; M560-S564 PolarHBondContact O-N 3.31Å; M560-S564 PolarHBondContact O-OG 3.49Å; L561-S564 PolarHBondContact O-N 3.35Å; L561-S564 PolarHBondContact O-OG 3.48Å; V562-S564 VanDerWaalsContact C-N 3.33Å; V562-S564 PolarHBondContact O-N 3.05Å; S564-R580 PolarHBondContact OG-NH1 3.36Å; S564-R580 VanDerWaalsContact OG-NH1 3.08Å
565	A	89.3	Confident	90.6	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-86.2	-25.1	-180	0	0	0	0	0	112.7	L561 V562 K563 W570 V681	L561-A565 WeakPolarHBondContact O-CB 3.4Å; L561-A565 PolarHBondContact O-N 3.31Å; V562-A565 PolarHBondContact O-N 3.17Å; V562-A565 VanDerWaalsContact O-N 3.11Å; K563-A565 PolarHBondContact O-N 3Å; A565-W570 HydrophobicContact CB-CZ2 4.1Å; A565-W570 PolarHBondContact O-NE1 3.34Å; A565-V681 HydrophobicContact CB-CG1 3.18Å
566	E	88.9	Confident	90.6	Very high	115 Å²	115	58.3 Å²	58.3	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-74.6	-41.6	172.7	-80.7	172	175.9	0	0	112.7	V562 K563 R568 R685	V562-E566 WeakPolarHBondContact CG1-OE1 3.29Å; V562-E566 WeakPolarHBondContact O-CG 3.04Å; V562-E566 PolarHBondContact O-N 2.58Å; K563-E566 PolarHBondContact O-N 3.36Å; E566-R568 VanDerWaalsContact C-N 3.33Å; E566-R568 PolarHBondContact O-N 3.15Å; E566-R685 IonicContact OE1-NH2 3.89Å
567	T	88.6	Confident	90.6	Very high	121 Å²	121	63 Å²	63	74%	0.742	32%	0.32	S	S	*	.	S	Bend	trans	-79.2	-15.7	-174.7	56.3	0	0	0	0	113.8	K563	K563-T567 WeakPolarHBondContact O-CG2 3.29Å; K563-T567 PolarHBondContact O-N 3.19Å; K563-T567 PolarHBondContact O-OG1 2.59Å
568	R	88.5	Confident	90.6	Very high	79 Å²	79	66.3 Å²	66.3	30%	0.298	34%	0.341	S	S	.	.	S	Bend	trans	-94.9	132.4	-175.7	-172.2	174.9	-177.7	129.9	-8.7	111.2	E566 W570	E566-R568 VanDerWaalsContact C-N 3.33Å; E566-R568 PolarHBondContact O-N 3.15Å; R568-W570 VanDerWaalsContact O-CD1 3.25Å; R568-W570 PolarHBondContact O-N 3.48Å
569	D	90.1	Very high	90.5	Very high	99 Å²	99	66.3 Å²	66.3	53%	0.529	34%	0.341	S	S	.	.			trans	-76.8	101.2	165.7	-171.4	-14.2	0	0	0	110.3	M571 A572 S573	D569-M571 VanDerWaalsContact C-N 3.27Å; D569-M571 PolarHBondContact O-N 3.02Å; D569-M571 WeakPolarHBondContact OD1-CB 3.38Å; D569-M571 PolarHBondContact OD1-N 2.88Å; D569-A572 HydrophobicContact CB-CB 4.3Å; D569-A572 PolarHBondContact OD1-N 3.48Å; D569-A572 VanDerWaalsContact OD2-CB 3.3Å; D569-A572 WeakPolarHBondContact OD2-CB 3.34Å; D569-S573 PolarHBondContact O-N 3.44Å; D569-S573 PolarHBondContact O-OG 3.33Å
570	W	93.5	Very high	90.5	Very high	10 Å²	10	63.9 Å²	63.9	4%	0.038	33%	0.329	C	S	.	.	S	Bend	trans	-73.5	-17.1	179.1	-65.8	101.1	0	0	0	113.6	A565 R568 T686 Y687 S688 L695	A565-W570 HydrophobicContact CB-CZ2 4.1Å; A565-W570 PolarHBondContact O-NE1 3.34Å; R568-W570 VanDerWaalsContact O-CD1 3.25Å; R568-W570 PolarHBondContact O-N 3.48Å; W570-T686 WeakPolarHBondContact CB-O 3.29Å; W570-Y687 HydrophobicContact CB-CD1 4Å; W570-Y687 HydrophobicContact CB-CE1 4.33Å; W570-Y687 AromaticContact CD2-CD1 3.76Å; W570-Y687 HydrophobicContact CD2-CD1 3.76Å; W570-Y687 AromaticContact CD2-CE1 3.4Å; W570-Y687 HydrophobicContact CD2-CE1 3.4Å; W570-Y687 AromaticContact CE2-CE1 3.87Å; W570-Y687 AromaticContact CE3-CD1 3.5Å; W570-Y687 HydrophobicContact CE3-CD1 3.5Å; W570-Y687 AromaticContact CE3-CE1 3.37Å; W570-Y687 HydrophobicContact CE3-CE1 3.37Å; W570-Y687 HydrophobicContact CG-CD1 4Å; W570-Y687 AromaticContact CG-CE1 3.85Å; W570-Y687 HydrophobicContact CG-CE1 3.85Å; W570-Y687 HydrophobicContact CH2-CE1 4.16Å; W570-Y687 HydrophobicContact CZ2-CE1 4.23Å; W570-Y687 HydrophobicContact CZ3-CD1 4.15Å; W570-Y687 AromaticContact CZ3-CE1 3.76Å; W570-Y687 HydrophobicContact CZ3-CE1 3.76Å; W570-S688 PolarHBondContact O-N 3.02Å; W570-S688 PolarHBondContact O-OG 3.18Å; W570-L695 HydrophobicContact CH2-CD1 4.18Å
571	M	90.9	Very high	90.5	Very high	93 Å²	93	65.7 Å²	65.7	46%	0.458	35%	0.346	S	S	.	.	S	Bend	trans	-85.3	-40.1	177.9	-67.8	-58.3	-64.3	0	0	110.9	D569 S573 S688 V732	D569-M571 VanDerWaalsContact C-N 3.27Å; D569-M571 PolarHBondContact O-N 3.02Å; D569-M571 WeakPolarHBondContact OD1-CB 3.38Å; D569-M571 PolarHBondContact OD1-N 2.88Å; M571-S573 VanDerWaalsContact C-N 3.29Å; M571-S573 PolarHBondContact O-N 2.93Å; M571-S688 VanDerWaalsContact O-CB 3.22Å; M571-S688 WeakPolarHBondContact O-CB 3.39Å; M571-S688 PolarHBondContact O-OG 3.27Å; M571-V732 HydrophobicContact CE-CG2 3.78Å; M571-V732 HydrophobicContact SD-CG2 4.3Å
572	A	90.8	Very high	90.6	Very high	71 Å²	71	67.1 Å²	67.1	59%	0.587	36%	0.355	S	S	*	.	S	Bend	trans	-90.8	26.1	176.8	0	0	0	0	0	114	D569	D569-A572 HydrophobicContact CB-CB 4.3Å; D569-A572 PolarHBondContact OD1-N 3.48Å; D569-A572 VanDerWaalsContact OD2-CB 3.3Å; D569-A572 WeakPolarHBondContact OD2-CB 3.34Å
573	S	88.6	Confident	90.6	Very high	11 Å²	11	65.3 Å²	65.3	8%	0.077	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-69	138.2	-178.7	-78.3	0	0	0	0	112.9	D569 M571 F690	D569-S573 PolarHBondContact O-N 3.44Å; D569-S573 PolarHBondContact O-OG 3.33Å; M571-S573 VanDerWaalsContact C-N 3.29Å; M571-S573 PolarHBondContact O-N 2.93Å; S573-F690 WeakPolarHBondContact O-CB 3.35Å; S573-F690 WeakPolarHBondContact O-CD2 3.31Å
574	V	90.2	Very high	90.6	Very high	117 Å²	117	61.8 Å²	61.8	71%	0.709	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-83.9	157.3	175.6	-142.9	0	0	0	0	110.6
575	E	91.3	Very high	90.6	Very high	99 Å²	99	66.3 Å²	66.3	46%	0.463	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-51.5	122.4	175.2	-174.1	-178.1	-156.3	0	0	111.2	F690	E575-F690 HydrophobicContact CB-CD1 3.98Å; E575-F690 HydrophobicContact CB-CE1 3.86Å; E575-F690 HydrophobicContact CB-CG 4.5Å; E575-F690 HydrophobicContact CB-CZ 4.3Å; E575-F690 HydrophobicContact CG-CD1 4.21Å; E575-F690 HydrophobicContact CG-CE1 3.97Å
576	P	89	Confident	90.7	Very high	7 Å²	7	66.4 Å²	66.4	5%	0.045	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.4	129.9	-171.1	32	-36	0	0	0	111.2	Q693 Q694 I697 M737	P576-Q693 HydrophobicContact CG-CB 3.68Å; P576-Q694 HydrophobicContact CB-CB 3.98Å; P576-Q694 HydrophobicContact CB-CG 4.5Å; P576-Q694 HydrophobicContact CG-CB 4.48Å; P576-I697 HydrophobicContact CB-CD1 3.64Å; P576-I697 HydrophobicContact CG-CD1 3.67Å; P576-M737 HydrophobicContact CG-CE 3.76Å
577	R	89.4	Confident	90.8	Very high	194 Å²	194	61 Å²	61	73%	0.732	32%	0.319	S	S	*	.			trans	-121.2	-10.9	179.8	-64.1	-174.6	178.9	-172.8	-0.9	114.1
578	T	91	Very high	90.9	Very high	77 Å²	77	59 Å²	59	47%	0.472	30%	0.302	S	S	.	.	S	Bend	trans	-145.6	159.4	-174.6	54.5	0	0	0	0	109.8	Q694 E749	T578-Q694 PolarHBondContact O-NE2 3.05Å; T578-E749 VanDerWaalsContact CB-OE1 3.26Å; T578-E749 WeakPolarHBondContact CB-OE1 3.22Å; T578-E749 WeakPolarHBondContact CG2-OE1 3.47Å
579	V	90.3	Very high	91	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.018	30%	0.296	C	S	.	.			trans	-75	140.6	172	178.6	0	0	0	0	109	S581 I583 K584 I697 Y701 E749	V579-S581 PolarHBondContact O-N 2.97Å; V579-I583 HydrophobicContact CG1-CB 3.96Å; V579-I583 HydrophobicContact CG1-CG2 3.94Å; V579-K584 HydrophobicContact CG1-CG 4.17Å; V579-I697 HydrophobicContact CB-CG2 4.44Å; V579-I697 HydrophobicContact CG2-CG2 3.69Å; V579-Y701 HydrophobicContact CB-CD2 4.27Å; V579-Y701 HydrophobicContact CB-CG 4.37Å; V579-Y701 HydrophobicContact CG1-CD1 3.96Å; V579-Y701 HydrophobicContact CG1-CD2 4.05Å; V579-Y701 HydrophobicContact CG1-CG 3.68Å; V579-Y701 HydrophobicContact CG2-CD2 3.61Å; V579-Y701 HydrophobicContact CG2-CE2 4.34Å; V579-Y701 HydrophobicContact CG2-CG 3.92Å; V579-E749 HydrophobicContact CG2-CG 4.34Å
580	R	91.8	Very high	91.1	Very high	17 Å²	17	52.2 Å²	52.2	6%	0.064	27%	0.271	C	S	.	.			trans	-58.1	135.6	177.8	-79.7	-168.6	-70.4	152.4	3.6	110.9	S564 V582 I583 K584 Q694 D698	S564-R580 PolarHBondContact OG-NH1 3.36Å; S564-R580 VanDerWaalsContact OG-NH1 3.08Å; R580-V582 PolarHBondContact O-N 3.19Å; R580-V582 VanDerWaalsContact O-N 3.17Å; R580-I583 HydrophobicContact CB-CG1 3.93Å; R580-I583 WeakPolarHBondContact O-CB 3.47Å; R580-I583 PolarHBondContact O-N 3.34Å; R580-K584 PolarHBondContact O-N 3.3Å; R580-Q694 HydrophobicContact CG-CG 4.08Å; R580-D698 IonicContact CZ-OD2 3.13Å; R580-D698 PolarHBondContact N-OD1 2.9Å; R580-D698 IonicContact NE-OD1 3.96Å; R580-D698 IonicContact NE-OD2 2.63Å; R580-D698 PolarHBondContact NE-OD2 3.42Å; R580-D698 IonicContact NH2-OD2 2.76Å; R580-D698 PolarHBondContact NH2-OD2 2.91Å
581	S	91.1	Very high	90.9	Very high	91 Å²	91	53.1 Å²	53.1	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-54.9	-36.8	179.2	52.6	0	0	0	0	113.2	V579 I583 K584 R585	V579-S581 PolarHBondContact O-N 2.97Å; S581-I583 VanDerWaalsContact C-N 3.28Å; S581-I583 PolarHBondContact O-N 2.89Å; S581-K584 PolarHBondContact O-N 2.94Å; S581-R585 WeakPolarHBondContact O-CB 3.4Å; S581-R585 PolarHBondContact O-N 2.9Å
582	V	92.7	Very high	90.7	Very high	32 Å²	32	50 Å²	50	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-36.3	176.4	173.2	0	0	0	0	112.1	M560 L561 R580 R585 I586	M560-V582 HydrophobicContact CB-CG1 4.03Å; L561-V582 HydrophobicContact CD2-CG1 4.39Å; R580-V582 PolarHBondContact O-N 3.19Å; R580-V582 VanDerWaalsContact O-N 3.17Å; V582-R585 PolarHBondContact O-N 3.42Å; V582-I586 HydrophobicContact CG1-CD1 3.99Å; V582-I586 WeakPolarHBondContact O-CD1 3.46Å; V582-I586 VanDerWaalsContact O-CG1 3.29Å; V582-I586 WeakPolarHBondContact O-CG1 3.43Å; V582-I586 PolarHBondContact O-N 3.24Å
583	I	93	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-44.2	-179.4	-59.6	-66.5	0	0	0	110.5	L561 V579 R580 S581 R585 I586 V587 D698 Y701 L702	L561-I583 HydrophobicContact CD2-CD1 3.67Å; V579-I583 HydrophobicContact CG1-CB 3.96Å; V579-I583 HydrophobicContact CG1-CG2 3.94Å; R580-I583 HydrophobicContact CB-CG1 3.93Å; R580-I583 WeakPolarHBondContact O-CB 3.47Å; R580-I583 PolarHBondContact O-N 3.34Å; S581-I583 VanDerWaalsContact C-N 3.28Å; S581-I583 PolarHBondContact O-N 2.89Å; I583-R585 VanDerWaalsContact C-N 3.28Å; I583-R585 PolarHBondContact O-N 3.02Å; I583-I586 PolarHBondContact O-N 3.47Å; I583-V587 PolarHBondContact O-N 3.04Å; I583-D698 HydrophobicContact CD1-CB 4.12Å; I583-D698 HydrophobicContact CG1-CB 3.82Å; I583-D698 HydrophobicContact CG2-CB 4.48Å; I583-Y701 HydrophobicContact CG2-CD1 3.74Å; I583-Y701 HydrophobicContact CG2-CE1 4.43Å; I583-L702 HydrophobicContact CD1-CD1 4.31Å; I583-L702 HydrophobicContact CG2-CD1 4.42Å; I583-L702 HydrophobicContact CG2-CD2 3.67Å; I583-L702 HydrophobicContact CG2-CG 3.71Å
584	K	91.8	Very high	90.7	Very high	47 Å²	47	47.6 Å²	47.6	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-44.5	172.3	-57.2	-177.5	-169.9	172.5	0	110.9	V579 R580 S581 I586 V587 E588 Y701 E749	V579-K584 HydrophobicContact CG1-CG 4.17Å; R580-K584 PolarHBondContact O-N 3.3Å; S581-K584 PolarHBondContact O-N 2.94Å; K584-I586 VanDerWaalsContact C-N 3.34Å; K584-I586 PolarHBondContact O-N 2.92Å; K584-V587 PolarHBondContact O-N 2.99Å; K584-E588 WeakPolarHBondContact O-CG 3.16Å; K584-E588 PolarHBondContact O-N 3.25Å; K584-Y701 HydrophobicContact CG-CE1 4.22Å; K584-E749 WeakPolarHBondContact CE-OE2 3.3Å; K584-E749 IonicContact NZ-OE1 2.77Å; K584-E749 PolarHBondContact NZ-OE1 3.07Å; K584-E749 IonicContact NZ-OE2 2.55Å; K584-E749 PolarHBondContact NZ-OE2 2.91Å
585	R	91.2	Very high	90.5	Very high	108 Å²	108	45.2 Å²	45.2	41%	0.408	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-37.3	179.5	-176.6	59.5	-172.5	-165.7	5.3	113	M560 S581 V582 I583 E588 D589	M560-R585 HydrophobicContact CE-CB 3.99Å; M560-R585 HydrophobicContact CE-CG 3.34Å; S581-R585 WeakPolarHBondContact O-CB 3.4Å; S581-R585 PolarHBondContact O-N 2.9Å; V582-R585 PolarHBondContact O-N 3.42Å; I583-R585 VanDerWaalsContact C-N 3.28Å; I583-R585 PolarHBondContact O-N 3.02Å; R585-E588 IonicContact NH1-OE2 2.8Å; R585-E588 PolarHBondContact O-N 3.49Å; R585-D589 IonicContact CZ-OD1 3.51Å; R585-D589 IonicContact CZ-OD2 2.62Å; R585-D589 IonicContact NE-OD1 3.37Å; R585-D589 PolarHBondContact NE-OD1 2.89Å; R585-D589 IonicContact NE-OD2 2.91Å; R585-D589 PolarHBondContact NE-OD2 3.25Å; R585-D589 IonicContact NH1-OD1 3.48Å; R585-D589 IonicContact NH2-OD1 2.76Å; R585-D589 PolarHBondContact NH2-OD1 3.39Å; R585-D589 IonicContact NH2-OD2 3.99Å; R585-D589 PolarHBondContact NH2-OD2 2.83Å; R585-D589 WeakPolarHBondContact O-CB 3.32Å; R585-D589 PolarHBondContact O-N 3.22Å
586	I	93	Very high	90.4	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-44	174.3	-72.7	160.4	0	0	0	111.1	L561 V582 I583 K584 E588 D589 L590	L561-I586 HydrophobicContact CD1-CD1 4.02Å; L561-I586 HydrophobicContact CD2-CD1 3.22Å; L561-I586 HydrophobicContact CG-CD1 3.37Å; V582-I586 HydrophobicContact CG1-CD1 3.99Å; V582-I586 WeakPolarHBondContact O-CD1 3.46Å; V582-I586 VanDerWaalsContact O-CG1 3.29Å; V582-I586 WeakPolarHBondContact O-CG1 3.43Å; V582-I586 PolarHBondContact O-N 3.24Å; I583-I586 PolarHBondContact O-N 3.47Å; K584-I586 VanDerWaalsContact C-N 3.34Å; K584-I586 PolarHBondContact O-N 2.92Å; I586-E588 VanDerWaalsContact C-N 3.33Å; I586-E588 PolarHBondContact O-N 3.1Å; I586-D589 PolarHBondContact O-N 2.84Å; I586-L590 WeakPolarHBondContact O-CB 3.24Å; I586-L590 PolarHBondContact O-N 2.83Å
587	V	90.9	Very high	90.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-41.4	176.7	176.5	0	0	0	0	110.8	L398 I583 K584 T591 Y701 L702 F705	L398-V587 HydrophobicContact CD1-CG1 3.8Å; I583-V587 PolarHBondContact O-N 3.04Å; K584-V587 PolarHBondContact O-N 2.99Å; V587-T591 WeakPolarHBondContact O-CB 3.48Å; V587-T591 PolarHBondContact O-N 3.12Å; V587-T591 PolarHBondContact O-OG1 3.33Å; V587-Y701 HydrophobicContact CB-CE1 4.48Å; V587-Y701 HydrophobicContact CG2-CD1 4.39Å; V587-Y701 HydrophobicContact CG2-CE1 3.91Å; V587-L702 HydrophobicContact CG2-CD2 4Å; V587-F705 HydrophobicContact CG1-CB 3.66Å; V587-F705 HydrophobicContact CG1-CD1 4.34Å; V587-F705 HydrophobicContact CG1-CG 4Å; V587-F705 HydrophobicContact CG2-CB 4.08Å
588	E	89.4	Confident	90.4	Very high	80 Å²	80	33.1 Å²	33.1	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-63.2	-46.9	175.2	-72.3	177.3	-152.1	0	0	113	K394 K584 R585 I586 T591 G592	K394-E588 IonicContact NZ-OE2 2.54Å; K394-E588 PolarHBondContact NZ-OE2 3.05Å; K584-E588 WeakPolarHBondContact O-CG 3.16Å; K584-E588 PolarHBondContact O-N 3.25Å; R585-E588 IonicContact NH1-OE2 2.8Å; R585-E588 PolarHBondContact O-N 3.49Å; I586-E588 VanDerWaalsContact C-N 3.33Å; I586-E588 PolarHBondContact O-N 3.1Å; E588-T591 WeakPolarHBondContact O-CB 3.38Å; E588-T591 PolarHBondContact O-N 3.33Å; E588-G592 PolarHBondContact O-N 3.14Å
589	D	91	Very high	90.3	Very high	32 Å²	32	31.1 Å²	31.1	17%	0.171	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-37.4	-178.2	-73.3	-15.2	0	0	0	110.5	L557 R585 I586 T591 G592 I593	L557-D589 HydrophobicContact CD2-CB 3.66Å; R585-D589 IonicContact CZ-OD1 3.51Å; R585-D589 IonicContact CZ-OD2 2.62Å; R585-D589 IonicContact NE-OD1 3.37Å; R585-D589 PolarHBondContact NE-OD1 2.89Å; R585-D589 IonicContact NE-OD2 2.91Å; R585-D589 PolarHBondContact NE-OD2 3.25Å; R585-D589 IonicContact NH1-OD1 3.48Å; R585-D589 IonicContact NH2-OD1 2.76Å; R585-D589 PolarHBondContact NH2-OD1 3.39Å; R585-D589 IonicContact NH2-OD2 3.99Å; R585-D589 PolarHBondContact NH2-OD2 2.83Å; R585-D589 WeakPolarHBondContact O-CB 3.32Å; R585-D589 PolarHBondContact O-N 3.22Å; I586-D589 PolarHBondContact O-N 2.84Å; D589-T591 VanDerWaalsContact C-N 3.33Å; D589-T591 PolarHBondContact O-N 3.3Å; D589-G592 WeakPolarHBondContact O-CA 3.44Å; D589-G592 PolarHBondContact O-N 2.89Å; D589-G592 VanDerWaalsContact O-N 3.13Å; D589-I593 VanDerWaalsContact O-CG1 3.32Å; D589-I593 WeakPolarHBondContact O-CG1 3.4Å; D589-I593 PolarHBondContact O-N 3.19Å
590	L	91.9	Very high	90.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-38.7	171.3	-174.2	63.3	0	0	0	112.1	L557 I586 G592 I593 D594 I670 V671 L706 F709	L557-L590 HydrophobicContact CD1-CB 4.45Å; L557-L590 HydrophobicContact CD1-CD1 4.33Å; I586-L590 WeakPolarHBondContact O-CB 3.24Å; I586-L590 PolarHBondContact O-N 2.83Å; L590-G592 VanDerWaalsContact C-N 3.31Å; L590-G592 PolarHBondContact O-N 2.95Å; L590-I593 PolarHBondContact O-N 3.36Å; L590-D594 VanDerWaalsContact O-CB 3.3Å; L590-D594 WeakPolarHBondContact O-CB 3.38Å; L590-D594 PolarHBondContact O-N 2.84Å; L590-I670 HydrophobicContact CD1-CG2 4.01Å; L590-V671 HydrophobicContact CD1-CG2 4.15Å; L590-V671 HydrophobicContact CD2-CG2 3.48Å; L590-V671 VanDerWaalsContact CD2-CG2 3.48Å; L590-V671 HydrophobicContact CG-CG2 4.47Å; L590-L706 HydrophobicContact CD2-CD2 3.5Å; L590-L706 VanDerWaalsContact CD2-CD2 3.5Å; L590-F709 HydrophobicContact CD2-CB 3.92Å; L590-F709 HydrophobicContact CD2-CD1 4.31Å; L590-F709 HydrophobicContact CD2-CD2 3.3Å; L590-F709 HydrophobicContact CD2-CE2 3.82Å; L590-F709 HydrophobicContact CD2-CG 3.59Å; L590-F709 HydrophobicContact CG-CB 4.38Å; L590-F709 HydrophobicContact CG-CD1 4.07Å; L590-F709 HydrophobicContact CG-CD2 3.89Å; L590-F709 HydrophobicContact CG-CE1 4.32Å; L590-F709 HydrophobicContact CG-CE2 4.14Å; L590-F709 HydrophobicContact CG-CG 3.85Å; L590-F709 HydrophobicContact CG-CZ 4.35Å
591	T	89.7	Confident	90.2	Very high	29 Å²	29	31.6 Å²	31.6	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-38.8	172.7	-53	0	0	0	0	111.2	V587 E588 D589 D594 N595 F709	V587-T591 WeakPolarHBondContact O-CB 3.48Å; V587-T591 PolarHBondContact O-N 3.12Å; V587-T591 PolarHBondContact O-OG1 3.33Å; E588-T591 WeakPolarHBondContact O-CB 3.38Å; E588-T591 PolarHBondContact O-N 3.33Å; D589-T591 VanDerWaalsContact C-N 3.33Å; D589-T591 PolarHBondContact O-N 3.3Å; T591-D594 PolarHBondContact O-N 2.78Å; T591-N595 VanDerWaalsContact O-CG 3.31Å; T591-N595 PolarHBondContact O-N 3.07Å; T591-N595 PolarHBondContact O-ND2 2.86Å; T591-F709 WeakPolarHBondContact OG1-CZ 3.45Å
592	G	86.8	Confident	90	Very high	27 Å²	27	34.9 Å²	34.9	28%	0.278	18%	0.184	S	C	.	.	H	α-helix	trans	-63.2	-45.3	174.1	0	0	0	0	0	112.4	E588 D589 L590 N595 C596	E588-G592 PolarHBondContact O-N 3.14Å; D589-G592 WeakPolarHBondContact O-CA 3.44Å; D589-G592 PolarHBondContact O-N 2.89Å; D589-G592 VanDerWaalsContact O-N 3.13Å; L590-G592 VanDerWaalsContact C-N 3.31Å; L590-G592 PolarHBondContact O-N 2.95Å; G592-N595 PolarHBondContact O-N 3.06Å; G592-C596 PolarHBondContact O-N 2.88Å; G592-C596 PolarHBondContact O-SG 3.1Å
593	I	89.3	Confident	89.4	Confident	17 Å²	17	37.2 Å²	37.2	9%	0.087	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-45.2	175.9	-65.4	159.3	0	0	0	110.4	F549 E553 L557 D589 L590 N595 C596 V597 I670	F549-I593 HydrophobicContact CZ-CG2 4.27Å; E553-I593 HydrophobicContact CB-CD1 4.22Å; E553-I593 HydrophobicContact CG-CD1 4.44Å; E553-I593 VanDerWaalsContact OE2-CD1 3.32Å; E553-I593 WeakPolarHBondContact OE2-CD1 3.24Å; L557-I593 HydrophobicContact CD1-CD1 3.97Å; L557-I593 HydrophobicContact CD2-CD1 4.44Å; L557-I593 HydrophobicContact CG-CD1 4.29Å; D589-I593 VanDerWaalsContact O-CG1 3.32Å; D589-I593 WeakPolarHBondContact O-CG1 3.4Å; D589-I593 PolarHBondContact O-N 3.19Å; L590-I593 PolarHBondContact O-N 3.36Å; I593-N595 VanDerWaalsContact C-N 3.3Å; I593-N595 PolarHBondContact O-N 3.06Å; I593-C596 PolarHBondContact O-N 2.71Å; I593-C596 VanDerWaalsContact O-N 3.11Å; I593-V597 HydrophobicContact CG2-CG2 4.01Å; I593-V597 WeakPolarHBondContact O-CB 3.41Å; I593-V597 VanDerWaalsContact O-CG2 3.29Å; I593-V597 WeakPolarHBondContact O-CG2 3.48Å; I593-V597 PolarHBondContact O-N 3.34Å; I593-I670 HydrophobicContact CG2-CD1 3.75Å
594	D	89.6	Confident	88.7	Confident	16 Å²	16	38.5 Å²	38.5	9%	0.086	21%	0.206	C	C	.	.	H	α-helix	trans	-54.3	-46.2	176.7	-172.2	76.6	0	0	0	111.6	L590 T591 V597 G598 K663 T667 F709	L590-D594 VanDerWaalsContact O-CB 3.3Å; L590-D594 WeakPolarHBondContact O-CB 3.38Å; L590-D594 PolarHBondContact O-N 2.84Å; T591-D594 PolarHBondContact O-N 2.78Å; D594-V597 PolarHBondContact O-N 2.87Å; D594-G598 PolarHBondContact O-N 3.49Å; D594-K663 VanDerWaalsContact O-CE 3.22Å; D594-K663 WeakPolarHBondContact O-CE 3.36Å; D594-K663 WeakPolarHBondContact OD1-CE 3.35Å; D594-K663 IonicContact OD1-NZ 2.85Å; D594-K663 WeakPolarHBondContact OD2-CE 3.44Å; D594-K663 IonicContact OD2-NZ 2.56Å; D594-K663 PolarHBondContact OD2-NZ 3.45Å; D594-T667 HydrophobicContact CB-CG2 4.23Å; D594-F709 HydrophobicContact CB-CD1 3.89Å; D594-F709 HydrophobicContact CB-CE1 3.66Å
595	N	86.8	Confident	87.9	Confident	67 Å²	67	44.6 Å²	44.6	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-65.5	-40.5	176.4	-70.8	-25.7	0	0	0	112.9	T591 G592 I593 Q599	T591-N595 VanDerWaalsContact O-CG 3.31Å; T591-N595 PolarHBondContact O-N 3.07Å; T591-N595 PolarHBondContact O-ND2 2.86Å; G592-N595 PolarHBondContact O-N 3.06Å; I593-N595 VanDerWaalsContact C-N 3.3Å; I593-N595 PolarHBondContact O-N 3.06Å; N595-Q599 WeakPolarHBondContact O-CG 3.12Å; N595-Q599 PolarHBondContact O-N 2.96Å
596	C	88	Confident	87	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.081	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-45.1	176.6	-70.9	0	0	0	0	111.6	G592 I593 Q599	G592-C596 PolarHBondContact O-N 2.88Å; G592-C596 PolarHBondContact O-SG 3.1Å; I593-C596 PolarHBondContact O-N 2.71Å; I593-C596 VanDerWaalsContact O-N 3.11Å; C596-Q599 PolarHBondContact O-N 3.13Å
597	V	91	Very high	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-39.8	178.2	178.3	0	0	0	0	110.7	L494 F549 I593 D594 Q599 L600 L601 K663 V666	L494-V597 HydrophobicContact CD2-CG2 4.08Å; F549-V597 HydrophobicContact CE1-CG2 3.69Å; F549-V597 HydrophobicContact CZ-CG2 3.85Å; I593-V597 HydrophobicContact CG2-CG2 4.01Å; I593-V597 WeakPolarHBondContact O-CB 3.41Å; I593-V597 VanDerWaalsContact O-CG2 3.29Å; I593-V597 WeakPolarHBondContact O-CG2 3.48Å; I593-V597 PolarHBondContact O-N 3.34Å; D594-V597 PolarHBondContact O-N 2.87Å; V597-Q599 PolarHBondContact O-N 3.26Å; V597-L600 PolarHBondContact O-N 3.46Å; V597-L601 HydrophobicContact CG1-CB 4.19Å; V597-L601 HydrophobicContact CG1-CD1 3.77Å; V597-L601 HydrophobicContact CG1-CG 4.19Å; V597-L601 PolarHBondContact O-N 2.96Å; V597-K663 HydrophobicContact CB-CG 4.26Å; V597-K663 HydrophobicContact CG1-CB 4.01Å; V597-K663 HydrophobicContact CG1-CG 3.9Å; V597-V666 HydrophobicContact CG1-CB 4.24Å; V597-V666 HydrophobicContact CG1-CG1 4.12Å; V597-V666 HydrophobicContact CG2-CG1 4.02Å
598	G	88.8	Confident	84	Confident	33 Å²	33	57.9 Å²	57.9	34%	0.34	30%	0.295	S	S	.	.	H	α-helix	trans	-67.9	-11.3	177.6	0	0	0	0	0	115.6	D594 L600	D594-G598 PolarHBondContact O-N 3.49Å; G598-L600 VanDerWaalsContact C-N 3.31Å
599	Q	88.7	Confident	82.1	Confident	36 Å²	36	59.6 Å²	59.6	17%	0.168	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.6	169.4	-72.9	178	43	0	0	112.7	Q411 L413 N595 C596 V597	Q411-Q599 HydrophobicContact CB-CG 4.22Å; Q411-Q599 HydrophobicContact CG-CG 4.19Å; L413-Q599 HydrophobicContact CB-CB 4.37Å; N595-Q599 WeakPolarHBondContact O-CG 3.12Å; N595-Q599 PolarHBondContact O-N 2.96Å; C596-Q599 PolarHBondContact O-N 3.13Å; V597-Q599 PolarHBondContact O-N 3.26Å
600	L	88.7	Confident	79.5	Confident	15 Å²	15	64 Å²	64	8%	0.079	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-31.8	-169.2	-61.6	178.2	0	0	0	113.7	L413 A414 L417 L494 I495 K498 V597 G598	L413-L600 HydrophobicContact CB-CD1 4.19Å; L413-L600 HydrophobicContact CB-CD2 4.25Å; L413-L600 HydrophobicContact CB-CG 4.24Å; L413-L600 HydrophobicContact CD2-CD1 3.97Å; A414-L600 HydrophobicContact CB-CD2 4.45Å; L417-L600 HydrophobicContact CB-CD2 4.1Å; L417-L600 HydrophobicContact CD2-CD2 3.82Å; L494-L600 HydrophobicContact CD2-CD1 3.85Å; L494-L600 HydrophobicContact CG-CD1 3.76Å; I495-L600 HydrophobicContact CG1-CD1 3.86Å; K498-L600 VanDerWaalsContact CE-O 3.25Å; K498-L600 WeakPolarHBondContact CE-O 3.31Å; K498-L600 HydrophobicContact CG-CB 4.46Å; V597-L600 PolarHBondContact O-N 3.46Å; G598-L600 VanDerWaalsContact C-N 3.31Å
601	L	90.1	Very high	77.2	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	36%	0.356	C	S	.	.	S	Bend	trans	-113.7	149.4	-178.9	-57.9	-177	0	0	0	111.2	K498 L546 V597 F661 K663 V666	K498-L601 HydrophobicContact CD-CD2 4.2Å; L546-L601 HydrophobicContact CD1-CD1 4.17Å; V597-L601 HydrophobicContact CG1-CB 4.19Å; V597-L601 HydrophobicContact CG1-CD1 3.77Å; V597-L601 HydrophobicContact CG1-CG 4.19Å; V597-L601 PolarHBondContact O-N 2.96Å; L601-F661 HydrophobicContact CD2-CD1 4.32Å; L601-K663 HydrophobicContact CB-CB 4.49Å; L601-V666 HydrophobicContact CD1-CG2 3.81Å
602	E	87.7	Confident	74.7	Confident	161 Å²	161	73.9 Å²	73.9	75%	0.752	39%	0.388	S	S	*	.			trans	-65.9	149.3	174.9	-60.6	-176	173	0	0	111.5	G604 T662 K663	E602-G604 VanDerWaalsContact C-N 3.26Å; E602-G604 PolarHBondContact O-N 3.15Å; E602-T662 CarbonylContact O-C 3.55Å; E602-T662 WeakPolarHBondContact O-CA 3.27Å; E602-K663 VanDerWaalsContact O-CB 3.32Å; E602-K663 WeakPolarHBondContact O-CB 3.48Å; E602-K663 PolarHBondContact O-N 3.07Å
603	E	79.7	Confident	72.4	Confident	80 Å²	80	75.4 Å²	75.4	37%	0.374	39%	0.394	S	S	.	.			trans	-58	-37.2	-174.3	-172.2	74.1	-162.4	0	0	112.5	R606 K663 I664	E603-R606 IonicContact OE1-CZ 2.89Å; E603-R606 IonicContact OE1-NH1 3.81Å; E603-R606 IonicContact OE1-NH2 2.97Å; E603-R606 PolarHBondContact OE1-NH2 2.85Å; E603-K663 IonicContact OE1-NZ 2.93Å; E603-K663 WeakPolarHBondContact OE2-CD 3.38Å; E603-K663 WeakPolarHBondContact OE2-CE 3.49Å; E603-K663 IonicContact OE2-NZ 3.42Å; E603-K663 PolarHBondContact OE2-NZ 3.16Å; E603-I664 WeakPolarHBondContact O-CB 3.47Å; E603-I664 WeakPolarHBondContact O-CG2 3.41Å; E603-I664 PolarHBondContact O-N 3.31Å; E603-I664 VanDerWaalsContact O-N 3.16Å
604	G	79.7	Confident	70.2	Confident	27 Å²	27	75.4 Å²	75.4	28%	0.278	40%	0.396	S	S	.	.			trans	77.2	-179.2	-172.1	0	0	0	0	0	113.3	E602	E602-G604 VanDerWaalsContact C-N 3.26Å; E602-G604 PolarHBondContact O-N 3.15Å
605	H	75	Confident	68	Low	176 Å²	176	83.7 Å²	83.7	82%	0.815	43%	0.426	S	S	*	.			trans	-106	129.2	-176.1	-65	87.4	0	0	0	111.5
606	R	72.3	Confident	65.9	Low	99 Å²	99	90.9 Å²	90.9	37%	0.374	45%	0.448	S	S	.	.			trans	-83.9	145.6	168.4	-76.1	179.7	-172.2	106.4	10.5	109.6	E603 E608 I664 R708	E603-R606 IonicContact OE1-CZ 2.89Å; E603-R606 IonicContact OE1-NH1 3.81Å; E603-R606 IonicContact OE1-NH2 2.97Å; E603-R606 PolarHBondContact OE1-NH2 2.85Å; R606-E608 PolarHBondContact O-N 2.97Å; R606-I664 HydrophobicContact CB-CD1 4.26Å; R606-I664 HydrophobicContact CG-CD1 3.02Å; R606-I664 VanDerWaalsContact NE-CD1 3.34Å; R606-R708 VanDerWaalsContact CZ-O 3.23Å; R606-R708 PolarHBondContact NE-O 2.55Å; R606-R708 PolarHBondContact NH2-O 3.23Å
607	K	67.2	Low	63.7	Low	131 Å²	131	92.9 Å²	92.9	57%	0.57	46%	0.46	S	S	*	.			trans	-70	98.8	162.7	-71	-175.4	-171.6	169.6	0	107.7	L609 V711 D712	K607-L609 PolarHBondContact O-N 3.33Å; K607-V711 PolarHBondContact N-O 3.26Å; K607-V711 VanDerWaalsContact N-O 3.09Å; K607-D712 HydrophobicContact CD-CB 4.36Å; K607-D712 IonicContact NZ-OD2 2.9Å; K607-D712 PolarHBondContact NZ-OD2 3.06Å
608	E	52.9	Low	61.4	Low	161 Å²	161	95.1 Å²	95.1	75%	0.752	48%	0.475	S	S	*	.			trans	-65.9	99.3	175.7	-67.2	-171.8	177.1	0	0	110	R606	R606-E608 PolarHBondContact O-N 2.97Å
609	L	48.5	Very low	59.2	Low	117 Å²	117	97.7 Å²	97.7	61%	0.613	48%	0.484	S	S	*	.	S	Bend	trans	-92.9	80.7	155.1	-71.6	171	0	0	0	107.2	K607 S611	K607-L609 PolarHBondContact O-N 3.33Å; L609-S611 PolarHBondContact O-N 2.92Å
610	N	37.9	Very low	57	Low	125 Å²	125	98 Å²	98	67%	0.668	49%	0.493	S	S	*	.			trans	41.6	71.2	169.1	-64.4	1.6	0	0	0	114.6	D612 S613	N610-D612 PolarHBondContact O-N 3.45Å; N610-S613 PolarHBondContact O-N 3.25Å
611	S	43.1	Very low	54.8	Low	78 Å²	78	100.2 Å²	100.2	55%	0.545	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-15.4	-175.5	-64.9	0	0	0	0	116.5	L609	L609-S611 PolarHBondContact O-N 2.92Å
612	D	36.3	Very low	52.5	Low	160 Å²	160	99.9 Å²	99.9	86%	0.856	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-21.9	175.1	-159.4	33.1	0	0	0	112.8	N610	N610-D612 PolarHBondContact O-N 3.45Å
613	S	38.6	Very low	50.5	Low	58 Å²	58	95.2 Å²	95.2	41%	0.406	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-13.4	177.9	-80.1	0	0	0	0	114	N610 R615 R616 T617	N610-S613 PolarHBondContact O-N 3.25Å; S613-R615 PolarHBondContact O-N 3.03Å; S613-R616 CarbonylContact O-C 3.43Å; S613-R616 PolarHBondContact O-N 3.37Å; S613-T617 PolarHBondContact O-N 3.39Å; S613-T617 PolarHBondContact O-OG1 3.38Å; S613-T617 VanDerWaalsContact O-OG1 3.07Å
614	S	43.9	Very low	48.8	Very low	18 Å²	18	100.2 Å²	100.2	13%	0.126	50%	0.503	C	S	.	.	H	α-helix	trans	-56.4	-26	-177.2	-55.9	0	0	0	0	114.4	T617 S618	S614-T617 VanDerWaalsContact CA-OG1 3.27Å; S614-T617 WeakPolarHBondContact CA-OG1 3.48Å; S614-S618 WeakPolarHBondContact O-CB 3.43Å; S614-S618 PolarHBondContact O-N 3.43Å; S614-S618 PolarHBondContact O-OG 3.07Å; S614-S618 VanDerWaalsContact O-OG 3.06Å
615	R	43.6	Very low	47.2	Very low	190 Å²	190	99.6 Å²	99.6	72%	0.717	50%	0.495	S	S	*	.	H	α-helix	trans	-67.9	-33.5	171.6	-80	-175.8	151.7	-164.6	-6.7	113.6	S613	S613-R615 PolarHBondContact O-N 3.03Å
616	R	43.1	Very low	45.7	Very low	218 Å²	218	91.9 Å²	91.9	82%	0.823	46%	0.459	S	S	*	.	H	α-helix	trans	-95.7	-29.9	179	-63.1	-175.2	108.9	172.5	4.1	111.7	S613 A620	S613-R616 CarbonylContact O-C 3.43Å; S613-R616 PolarHBondContact O-N 3.37Å; R616-A620 WeakPolarHBondContact O-CB 3.43Å; R616-A620 PolarHBondContact O-N 3.37Å; R616-A620 VanDerWaalsContact O-N 3.15Å
617	T	41.8	Very low	44.5	Very low	54 Å²	54	97.1 Å²	97.1	33%	0.331	48%	0.479	S	S	.	.	H	α-helix	trans	-85.4	-19.2	177	61	0	0	0	0	113.1	S613 S614 V619 A620 N621	S613-T617 PolarHBondContact O-N 3.39Å; S613-T617 PolarHBondContact O-OG1 3.38Å; S613-T617 VanDerWaalsContact O-OG1 3.07Å; S614-T617 VanDerWaalsContact CA-OG1 3.27Å; S614-T617 WeakPolarHBondContact CA-OG1 3.48Å; T617-V619 VanDerWaalsContact C-N 3.33Å; T617-A620 CarbonylContact O-C 3.57Å; T617-A620 PolarHBondContact O-N 2.94Å; T617-N621 WeakPolarHBondContact O-CA 3.2Å; T617-N621 WeakPolarHBondContact O-CB 3.16Å; T617-N621 PolarHBondContact O-N 3.25Å
618	S	42.2	Very low	43.5	Very low	46 Å²	46	94.3 Å²	94.3	32%	0.322	48%	0.476	S	S	.	.	H	α-helix	trans	-64.3	-43.1	168.6	66	0	0	0	0	110.1	S614 Y622	S614-S618 WeakPolarHBondContact O-CB 3.43Å; S614-S618 PolarHBondContact O-N 3.43Å; S614-S618 PolarHBondContact O-OG 3.07Å; S614-S618 VanDerWaalsContact O-OG 3.06Å; S618-Y622 WeakPolarHBondContact O-CA 3.32Å; S618-Y622 WeakPolarHBondContact O-CB 3.32Å; S618-Y622 PolarHBondContact O-N 3.45Å
619	V	42.8	Very low	43.1	Very low	87 Å²	87	87.1 Å²	87.1	53%	0.527	44%	0.442	S	S	.	.	H	α-helix	trans	-65.1	-42	173	-174.9	0	0	0	0	110.9	T617 S623	T617-V619 VanDerWaalsContact C-N 3.33Å; V619-S623 WeakPolarHBondContact O-CB 3.44Å; V619-S623 PolarHBondContact O-N 2.92Å
620	A	42.4	Very low	42.7	Very low	42 Å²	42	86.8 Å²	86.8	35%	0.347	44%	0.441	S	S	.	.	H	α-helix	trans	-72.4	-38.5	179.7	0	0	0	0	0	113.8	R616 T617 S623 R624	R616-A620 WeakPolarHBondContact O-CB 3.43Å; R616-A620 PolarHBondContact O-N 3.37Å; R616-A620 VanDerWaalsContact O-N 3.15Å; T617-A620 CarbonylContact O-C 3.57Å; T617-A620 PolarHBondContact O-N 2.94Å; A620-S623 PolarHBondContact O-N 3.49Å; A620-S623 PolarHBondContact O-OG 3.02Å; A620-R624 PolarHBondContact O-N 3.49Å; A620-R624 VanDerWaalsContact O-N 3.15Å
621	N	42.6	Very low	42.9	Very low	63 Å²	63	86.1 Å²	86.1	34%	0.337	44%	0.441	S	S	.	.	H	α-helix	trans	-74.7	-33.8	174.2	-80.6	13.2	0	0	0	110.5	T617 S623 R624 S625	T617-N621 WeakPolarHBondContact O-CA 3.2Å; T617-N621 WeakPolarHBondContact O-CB 3.16Å; T617-N621 PolarHBondContact O-N 3.25Å; N621-S623 VanDerWaalsContact C-N 3.31Å; N621-R624 CarbonylContact O-C 3.54Å; N621-R624 WeakPolarHBondContact O-CA 3.29Å; N621-R624 WeakPolarHBondContact O-CB 3.34Å; N621-R624 PolarHBondContact O-N 3.24Å; N621-S625 PolarHBondContact O-N 3.41Å
622	Y	42.2	Very low	42.6	Very low	7 Å²	7	84.7 Å²	84.7	3%	0.027	44%	0.439	C	S	.	.	H	α-helix	trans	-62.5	-40.9	168.5	-170.9	-112.5	0	0	0	110.3	S618 R624 S625 L626 W629 H700 P739	S618-Y622 WeakPolarHBondContact O-CA 3.32Å; S618-Y622 WeakPolarHBondContact O-CB 3.32Å; S618-Y622 PolarHBondContact O-N 3.45Å; Y622-R624 PolarHBondContact O-N 3.01Å; Y622-R624 VanDerWaalsContact O-N 3.16Å; Y622-S625 PolarHBondContact O-N 2.86Å; Y622-L626 HydrophobicContact CD1-CD1 4.23Å; Y622-L626 HydrophobicContact CD2-CD1 4.34Å; Y622-L626 HydrophobicContact CE1-CD1 3.58Å; Y622-L626 HydrophobicContact CE2-CD1 3.67Å; Y622-L626 WeakPolarHBondContact O-CB 3.32Å; Y622-L626 PolarHBondContact O-N 3.47Å; Y622-L626 VanDerWaalsContact OH-CD1 3.31Å; Y622-L626 WeakPolarHBondContact OH-CD1 3.27Å; Y622-W629 HydrophobicContact CE2-CH2 4.28Å; Y622-W629 HydrophobicContact CE2-CZ3 4.13Å; Y622-H700 AromaticContact CD1-CE1 3.96Å; Y622-H700 AromaticContact CD2-CE1 3.73Å; Y622-H700 AromaticContact CD2-ND1 3.48Å; Y622-H700 WeakPolarHBondContact CD2-ND1 3.39Å; Y622-H700 AromaticContact CE1-CE1 3.9Å; Y622-H700 HydrophobicContact CE2-CB 4.43Å; Y622-H700 AromaticContact CE2-CE1 3.71Å; Y622-H700 AromaticContact CE2-CG 3.97Å; Y622-H700 AromaticContact CE2-ND1 3.15Å; Y622-H700 WeakPolarHBondContact CE2-ND1 3.46Å; Y622-H700 AromaticContact CG-CE1 3.86Å; Y622-H700 AromaticContact CZ-CE1 3.79Å; Y622-H700 AromaticContact CZ-CG 3.98Å; Y622-H700 AromaticContact CZ-ND1 3.47Å; Y622-P739 HydrophobicContact CD1-CB 4.18Å; Y622-P739 HydrophobicContact CE1-CB 3.54Å
623	S	43.9	Very low	42.4	Very low	62 Å²	62	83.6 Å²	83.6	43%	0.434	44%	0.438	S	S	.	.	H	α-helix	trans	-63.7	-19	171.5	80	0	0	0	0	113.6	V619 A620 N621 R627	V619-S623 WeakPolarHBondContact O-CB 3.44Å; V619-S623 PolarHBondContact O-N 2.92Å; A620-S623 PolarHBondContact O-N 3.49Å; A620-S623 PolarHBondContact O-OG 3.02Å; N621-S623 VanDerWaalsContact C-N 3.31Å; S623-R627 WeakPolarHBondContact O-CG 3.39Å
624	R	45.1	Very low	42.2	Very low	186 Å²	186	85.3 Å²	85.3	70%	0.702	45%	0.45	S	S	*	.	H	α-helix	trans	-85.5	-46.2	169	-71.3	179.6	178.9	173.2	-0.6	112.6	A620 N621 Y622 L626 R627	A620-R624 PolarHBondContact O-N 3.49Å; A620-R624 VanDerWaalsContact O-N 3.15Å; N621-R624 CarbonylContact O-C 3.54Å; N621-R624 WeakPolarHBondContact O-CA 3.29Å; N621-R624 WeakPolarHBondContact O-CB 3.34Å; N621-R624 PolarHBondContact O-N 3.24Å; Y622-R624 PolarHBondContact O-N 3.01Å; Y622-R624 VanDerWaalsContact O-N 3.16Å; R624-L626 VanDerWaalsContact C-N 3.33Å; R624-L626 PolarHBondContact O-N 2.94Å; R624-R627 WeakPolarHBondContact O-CB 3.42Å; R624-R627 PolarHBondContact O-N 2.96Å
625	S	46.6	Very low	41.7	Very low	14 Å²	14	88.2 Å²	88.2	10%	0.098	48%	0.475	C	S	.	.	H	α-helix	trans	-59.8	-40.8	174.2	-99.7	0	0	0	0	111.6	N621 Y622 R627 S628 W629 D721	N621-S625 PolarHBondContact O-N 3.41Å; Y622-S625 PolarHBondContact O-N 2.86Å; S625-R627 VanDerWaalsContact C-N 3.28Å; S625-R627 PolarHBondContact O-N 3.2Å; S625-S628 VanDerWaalsContact O-CA 3.3Å; S625-S628 WeakPolarHBondContact O-CA 3.47Å; S625-S628 WeakPolarHBondContact O-CB 3.25Å; S625-S628 PolarHBondContact O-N 3.31Å; S625-W629 PolarHBondContact O-N 3.36Å; S625-D721 PolarHBondContact OG-OD1 3.23Å; S625-D721 VanDerWaalsContact OG-OD1 3.12Å; S625-D721 PolarHBondContact OG-OD2 2.88Å
626	L	43.4	Very low	41.1	Very low	13 Å²	13	91.1 Å²	91.1	7%	0.068	49%	0.487	C	S	.	.	H	α-helix	trans	-70	-26.4	-178.6	-133.5	90.5	0	0	0	113.5	Y622 R624 S628 W629 N630 P739	Y622-L626 HydrophobicContact CD1-CD1 4.23Å; Y622-L626 HydrophobicContact CD2-CD1 4.34Å; Y622-L626 HydrophobicContact CE1-CD1 3.58Å; Y622-L626 HydrophobicContact CE2-CD1 3.67Å; Y622-L626 WeakPolarHBondContact O-CB 3.32Å; Y622-L626 PolarHBondContact O-N 3.47Å; Y622-L626 VanDerWaalsContact OH-CD1 3.31Å; Y622-L626 WeakPolarHBondContact OH-CD1 3.27Å; R624-L626 VanDerWaalsContact C-N 3.33Å; R624-L626 PolarHBondContact O-N 2.94Å; L626-S628 PolarHBondContact O-N 3.19Å; L626-W629 HydrophobicContact CD1-CD2 4.3Å; L626-W629 HydrophobicContact CD1-CE3 3.63Å; L626-W629 HydrophobicContact CD1-CZ3 4.06Å; L626-W629 HydrophobicContact CG-CE3 4.47Å; L626-W629 PolarHBondContact O-N 3.36Å; L626-N630 PolarHBondContact O-N 3.21Å; L626-P739 HydrophobicContact CD1-CB 4.37Å; L626-P739 HydrophobicContact CD2-CB 3.43Å; L626-P739 VanDerWaalsContact CD2-CB 3.43Å; L626-P739 HydrophobicContact CD2-CG 3.34Å; L626-P739 HydrophobicContact CG-CB 4.48Å
627	R	46.7	Very low	40.9	Very low	210 Å²	210	84.3 Å²	84.3	79%	0.792	49%	0.485	S	S	*	.	H	α-helix	trans	-62.1	-25.2	168.4	-72.6	177.9	-170.8	-160.2	1.5	111.3	S623 R624 S625	S623-R627 WeakPolarHBondContact O-CG 3.39Å; R624-R627 WeakPolarHBondContact O-CB 3.42Å; R624-R627 PolarHBondContact O-N 2.96Å; S625-R627 VanDerWaalsContact C-N 3.28Å; S625-R627 PolarHBondContact O-N 3.2Å
628	S	46.9	Very low	40.3	Very low	72 Å²	72	86.3 Å²	86.3	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-76.1	-35.8	170.3	-162.8	0	0	0	0	112.2	S625 L626	S625-S628 VanDerWaalsContact O-CA 3.3Å; S625-S628 WeakPolarHBondContact O-CA 3.47Å; S625-S628 WeakPolarHBondContact O-CB 3.25Å; S625-S628 PolarHBondContact O-N 3.31Å; L626-S628 PolarHBondContact O-N 3.19Å
629	W	42.9	Very low	39.9	Very low	10 Å²	10	88 Å²	88	4%	0.038	51%	0.508	C	S	.	.	H	α-helix	trans	-80.7	-24	-175.9	-62.7	3.7	0	0	0	114.1	Y622 S625 L626 V631 Q696 D721 V724 L736	Y622-W629 HydrophobicContact CE2-CH2 4.28Å; Y622-W629 HydrophobicContact CE2-CZ3 4.13Å; S625-W629 PolarHBondContact O-N 3.36Å; L626-W629 HydrophobicContact CD1-CD2 4.3Å; L626-W629 HydrophobicContact CD1-CE3 3.63Å; L626-W629 HydrophobicContact CD1-CZ3 4.06Å; L626-W629 HydrophobicContact CG-CE3 4.47Å; L626-W629 PolarHBondContact O-N 3.36Å; W629-V631 PolarHBondContact O-N 2.94Å; W629-Q696 HydrophobicContact CE3-CG 4.23Å; W629-Q696 HydrophobicContact CZ3-CG 3.86Å; W629-D721 WeakPolarHBondContact CZ2-OD1 3.26Å; W629-D721 PolarHBondContact NE1-OD1 2.89Å; W629-V724 HydrophobicContact CD2-CB 4.14Å; W629-V724 HydrophobicContact CD2-CG1 3.73Å; W629-V724 HydrophobicContact CE3-CB 4.36Å; W629-V724 HydrophobicContact CE3-CG1 3.76Å; W629-V724 HydrophobicContact CE3-CG2 4.39Å; W629-V724 HydrophobicContact CG-CG1 4.22Å; W629-V724 HydrophobicContact CH2-CB 4.21Å; W629-V724 HydrophobicContact CH2-CG1 4.43Å; W629-V724 HydrophobicContact CH2-CG2 3.59Å; W629-V724 HydrophobicContact CZ2-CB 3.95Å; W629-V724 HydrophobicContact CZ2-CG1 4.39Å; W629-V724 HydrophobicContact CZ2-CG2 3.73Å; W629-V724 HydrophobicContact CZ3-CB 4.4Å; W629-V724 HydrophobicContact CZ3-CG1 4.12Å; W629-V724 HydrophobicContact CZ3-CG2 3.94Å; W629-L736 HydrophobicContact CB-CD1 3.66Å; W629-L736 WeakPolarHBondContact O-CD1 3.42Å
630	N	40	Very low	40	Very low	110 Å²	110	88 Å²	88	59%	0.588	52%	0.516	S	S	*	.			trans	-65.8	96	175.3	-93.4	6.5	0	0	0	111.1	L626 G632	L626-N630 PolarHBondContact O-N 3.21Å; N630-G632 PolarHBondContact O-N 3.01Å
631	V	42	Very low	39.6	Very low	111 Å²	111	92.9 Å²	92.9	67%	0.673	53%	0.53	S	S	*	.			trans	-74.3	42.5	161.6	-171.1	0	0	0	0	109.8	W629 T633 V728	W629-V631 PolarHBondContact O-N 2.94Å; V631-T633 PolarHBondContact O-N 2.88Å; V631-T633 VanDerWaalsContact O-N 3.09Å; V631-V728 HydrophobicContact CG2-CG1 3.74Å
632	G	37.1	Very low	39.5	Very low	48 Å²	48	94.9 Å²	94.9	50%	0.495	54%	0.544	S	S	.	.			trans	-74.7	101.8	-179.5	0	0	0	0	0	109.4	N630 S634	N630-G632 PolarHBondContact O-N 3.01Å; G632-S634 PolarHBondContact O-N 2.97Å
633	T	33.3	Very low	39.8	Very low	136 Å²	136	99.6 Å²	99.6	83%	0.834	57%	0.57	S	S	*	*			trans	43	65.7	155	51.2	0	0	0	0	113.6	V631 A635	V631-T633 PolarHBondContact O-N 2.88Å; V631-T633 VanDerWaalsContact O-N 3.09Å; T633-A635 PolarHBondContact O-N 2.68Å
634	S	33.8	Very low	39.8	Very low	95 Å²	95	99.9 Å²	99.9	66%	0.664	57%	0.57	S	S	*	*			trans	-66	96.1	160.9	-72.2	0	0	0	0	107	G632 Y636 T638	G632-S634 PolarHBondContact O-N 2.97Å; S634-Y636 PolarHBondContact O-N 3.41Å; S634-T638 WeakPolarHBondContact CB-OG1 3.25Å; S634-T638 PolarHBondContact OG-OG1 3.04Å
635	A	33.7	Very low	39.5	Very low	79 Å²	79	93.7 Å²	93.7	65%	0.653	55%	0.55	S	S	*	.			trans	-39.2	130.2	158.5	0	0	0	0	0	107.9	T633 G637	T633-A635 PolarHBondContact O-N 2.68Å; A635-G637 PolarHBondContact O-N 3.21Å
636	Y	31.6	Very low	39.6	Very low	250 Å²	250	94.7 Å²	94.7	98%	0.98	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-24.4	108.6	172.3	-77.8	-95.7	0	0	0	112.3	S634	S634-Y636 PolarHBondContact O-N 3.41Å
637	G	37.1	Very low	39.8	Very low	75 Å²	75	97.6 Å²	97.6	77%	0.773	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.6	-5.3	163.3	0	0	0	0	0	119.1	A635 P639	A635-G637 PolarHBondContact O-N 3.21Å; G637-P639 WeakPolarHBondContact O-CD 3.41Å
638	T	30.1	Very low	39.5	Very low	96 Å²	96	92.9 Å²	92.9	59%	0.589	56%	0.564	S	S	*	*			trans	-86.3	114	169.3	47.4	0	0	0	0	110.1	S634 A640	S634-T638 WeakPolarHBondContact CB-OG1 3.25Å; S634-T638 PolarHBondContact OG-OG1 3.04Å; T638-A640 PolarHBondContact O-N 3.41Å
639	P	34.1	Very low	39.4	Very low	83 Å²	83	97.3 Å²	97.3	54%	0.539	57%	0.57	S	S	.	*			trans	-71.6	137.8	-169.7	30.2	-33.2	0	0	0	109.4	G637 F641	G637-P639 WeakPolarHBondContact O-CD 3.41Å; P639-F641 HydrophobicContact CB-CB 4.21Å; P639-F641 HydrophobicContact CG-CB 4.33Å; P639-F641 PolarHBondContact O-N 3.33Å
640	A	44.9	Very low	39.6	Very low	85 Å²	85	100.3 Å²	100.3	70%	0.702	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	-5.9	172.8	0	0	0	0	0	114.9	T638 T642 T644	T638-A640 PolarHBondContact O-N 3.41Å; A640-T642 PolarHBondContact O-N 2.89Å; A640-T644 PolarHBondContact O-N 2.83Å; A640-T644 PolarHBondContact O-OG1 3.49Å
641	F	34.1	Very low	39.8	Very low	145 Å²	145	100.6 Å²	100.6	64%	0.636	59%	0.585	S	S	*	*	H	α-helix	trans	-57.6	-32.8	178	-121.8	-93.7	0	0	0	114.8	P639 T644 L645	P639-F641 HydrophobicContact CB-CB 4.21Å; P639-F641 HydrophobicContact CG-CB 4.33Å; P639-F641 PolarHBondContact O-N 3.33Å; F641-T644 VanDerWaalsContact CA-OG1 3.25Å; F641-T644 WeakPolarHBondContact CA-OG1 3.37Å; F641-T644 PolarHBondContact O-OG1 2.96Å; F641-T644 VanDerWaalsContact O-OG1 3.12Å; F641-L645 HydrophobicContact CD1-CD1 3.49Å; F641-L645 VanDerWaalsContact CD1-CD1 3.49Å; F641-L645 HydrophobicContact CE1-CD1 3.93Å; F641-L645 WeakPolarHBondContact O-CD1 3.42Å; F641-L645 PolarHBondContact O-N 2.93Å
642	T	39.9	Very low	39.7	Very low	105 Å²	105	104.8 Å²	104.8	64%	0.644	59%	0.589	S	S	*	*	H	α-helix	trans	-74.4	-35.9	-177.1	56.1	0	0	0	0	112.7	A640 G646	A640-T642 PolarHBondContact O-N 2.89Å; T642-G646 PolarHBondContact O-N 2.9Å
643	N	48	Very low	40.2	Very low	106 Å²	106	104 Å²	104	57%	0.567	57%	0.574	S	S	*	*	H	α-helix	trans	-74.1	-32.3	175	-78.8	3.5	0	0	0	111.9	K647	N643-K647 WeakPolarHBondContact O-CG 3.47Å; N643-K647 PolarHBondContact O-N 3.33Å
644	T	44.1	Very low	40.8	Very low	69 Å²	69	103.9 Å²	103.9	42%	0.423	57%	0.568	S	S	.	*	H	α-helix	trans	-72.8	-31.2	173.4	33.2	0	0	0	0	113.2	A640 F641 K647 L648	A640-T644 PolarHBondContact O-N 2.83Å; A640-T644 PolarHBondContact O-OG1 3.49Å; F641-T644 VanDerWaalsContact CA-OG1 3.25Å; F641-T644 WeakPolarHBondContact CA-OG1 3.37Å; F641-T644 PolarHBondContact O-OG1 2.96Å; F641-T644 VanDerWaalsContact O-OG1 3.12Å; T644-K647 WeakPolarHBondContact O-CB 3.4Å; T644-K647 PolarHBondContact O-N 3.15Å; T644-L648 PolarHBondContact O-N 2.75Å
645	L	40.6	Very low	41.3	Very low	55 Å²	55	107.4 Å²	107.4	29%	0.288	57%	0.568	S	S	.	*	H	α-helix	trans	-70.4	-40.4	173.3	-103.3	115.1	0	0	0	112.9	F641 K647 L648 W649	F641-L645 HydrophobicContact CD1-CD1 3.49Å; F641-L645 VanDerWaalsContact CD1-CD1 3.49Å; F641-L645 HydrophobicContact CE1-CD1 3.93Å; F641-L645 WeakPolarHBondContact O-CD1 3.42Å; F641-L645 PolarHBondContact O-N 2.93Å; L645-K647 PolarHBondContact O-N 2.65Å; L645-L648 PolarHBondContact O-N 3.42Å; L645-W649 HydrophobicContact CB-CE3 4.18Å; L645-W649 HydrophobicContact CB-CZ3 3.92Å; L645-W649 HydrophobicContact CD2-CE3 3.95Å; L645-W649 HydrophobicContact CD2-CH2 3.08Å; L645-W649 HydrophobicContact CD2-CZ2 3.73Å; L645-W649 HydrophobicContact CD2-CZ3 3.19Å; L645-W649 HydrophobicContact CG-CH2 4.39Å; L645-W649 HydrophobicContact CG-CZ3 4.14Å; L645-W649 VanDerWaalsContact O-CE3 3.25Å; L645-W649 PolarHBondContact O-N 3.12Å; L645-W649 VanDerWaalsContact O-N 3.1Å
646	G	48.5	Very low	42.1	Very low	35 Å²	35	108.4 Å²	108.4	36%	0.361	56%	0.563	S	S	.	*	H	α-helix	trans	-57.6	-38.9	170.6	0	0	0	0	0	111.9	T642 W649 N650	T642-G646 PolarHBondContact O-N 2.9Å; G646-W649 PolarHBondContact O-N 3.12Å; G646-N650 WeakPolarHBondContact O-CB 3.29Å; G646-N650 PolarHBondContact O-N 3.45Å
647	K	47.5	Very low	43.4	Very low	75 Å²	75	100.1 Å²	100.1	33%	0.326	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-48.7	172.2	-74.9	179.4	177.4	-169.7	0	112.6	N643 T644 L645 W649 N650 E651	N643-K647 WeakPolarHBondContact O-CG 3.47Å; N643-K647 PolarHBondContact O-N 3.33Å; T644-K647 WeakPolarHBondContact O-CB 3.4Å; T644-K647 PolarHBondContact O-N 3.15Å; L645-K647 PolarHBondContact O-N 2.65Å; K647-W649 PolarHBondContact O-N 3.3Å; K647-N650 PolarHBondContact O-N 2.82Å; K647-E651 VanDerWaalsContact O-CB 3.24Å; K647-E651 WeakPolarHBondContact O-CB 3.47Å; K647-E651 PolarHBondContact O-N 3.42Å
648	L	39.1	Very low	44.7	Very low	110 Å²	110	105.3 Å²	105.3	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-29	179.7	-78.8	166	0	0	0	113.8	T644 L645	T644-L648 PolarHBondContact O-N 2.75Å; L645-L648 PolarHBondContact O-N 3.42Å
649	W	45.5	Very low	46.6	Very low	166 Å²	166	101.3 Å²	101.3	63%	0.629	51%	0.507	S	S	*	.	H	α-helix	trans	-87.8	-31.3	176.6	-75.2	-52.2	0	0	0	113.8	L645 G646 K647	L645-W649 HydrophobicContact CB-CE3 4.18Å; L645-W649 HydrophobicContact CB-CZ3 3.92Å; L645-W649 HydrophobicContact CD2-CE3 3.95Å; L645-W649 HydrophobicContact CD2-CH2 3.08Å; L645-W649 HydrophobicContact CD2-CZ2 3.73Å; L645-W649 HydrophobicContact CD2-CZ3 3.19Å; L645-W649 HydrophobicContact CG-CH2 4.39Å; L645-W649 HydrophobicContact CG-CZ3 4.14Å; L645-W649 VanDerWaalsContact O-CE3 3.25Å; L645-W649 PolarHBondContact O-N 3.12Å; L645-W649 VanDerWaalsContact O-N 3.1Å; G646-W649 PolarHBondContact O-N 3.12Å; K647-W649 PolarHBondContact O-N 3.3Å
650	N	47.6	Very low	48.8	Very low	72 Å²	72	102.9 Å²	102.9	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-79.7	-23.2	174	-80.6	-0.7	0	0	0	113.4	G646 K647 R652 V653 N718	G646-N650 WeakPolarHBondContact O-CB 3.29Å; G646-N650 PolarHBondContact O-N 3.45Å; K647-N650 PolarHBondContact O-N 2.82Å; N650-R652 PolarHBondContact O-N 3.22Å; N650-V653 WeakPolarHBondContact O-CG2 3.32Å; N650-V653 PolarHBondContact O-N 3.23Å; N650-N718 PolarHBondContact ND2-OD1 2.76Å
651	E	43.2	Very low	50.7	Low	117 Å²	117	101.8 Å²	101.8	55%	0.547	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.7	179.3	-165.5	171.7	-158	0	0	113.1	K647 V653	K647-E651 VanDerWaalsContact O-CB 3.24Å; K647-E651 WeakPolarHBondContact O-CB 3.47Å; K647-E651 PolarHBondContact O-N 3.42Å; E651-V653 PolarHBondContact O-N 2.93Å
652	R	40	Very low	53.3	Low	199 Å²	199	96.5 Å²	96.5	75%	0.751	47%	0.47	S	S	*	.			trans	-73.4	31.8	171.8	-59.8	-171.7	-179.2	-164.9	-0.6	113.8	N650 D654	N650-R652 PolarHBondContact O-N 3.22Å; R652-D654 PolarHBondContact O-N 3.17Å
653	V	47.1	Very low	55.8	Low	31 Å²	31	92.2 Å²	92.2	19%	0.188	44%	0.443	C	S	.	.			trans	-70.9	102.2	168.3	-178.5	0	0	0	0	107	N650 E651 Y655 L715	N650-V653 WeakPolarHBondContact O-CG2 3.32Å; N650-V653 PolarHBondContact O-N 3.23Å; E651-V653 PolarHBondContact O-N 2.93Å; V653-Y655 PolarHBondContact O-N 2.98Å; V653-Y655 VanDerWaalsContact O-N 3.17Å; V653-L715 HydrophobicContact CG1-CD1 3.57Å; V653-L715 HydrophobicContact CG2-CD1 4.5Å
654	D	46.9	Very low	57.7	Low	134 Å²	134	87.3 Å²	87.3	72%	0.717	42%	0.417	S	S	*	.			trans	-41.1	123.8	179	-76.3	-40.7	0	0	0	110.6	R652 D656 K672	R652-D654 PolarHBondContact O-N 3.17Å; D654-D656 PolarHBondContact O-N 3.4Å; D654-D656 VanDerWaalsContact O-N 3.1Å; D654-K672 PolarHBondContact O-NZ 3.29Å
655	Y	44.3	Very low	59.9	Low	169 Å²	169	84.8 Å²	84.8	66%	0.663	40%	0.402	S	S	*	.			trans	-71	-1	-175.4	-69.9	-88.5	0	0	0	113	V653 I657	V653-Y655 PolarHBondContact O-N 2.98Å; V653-Y655 VanDerWaalsContact O-N 3.17Å; Y655-I657 PolarHBondContact O-N 3.16Å; Y655-I657 VanDerWaalsContact O-N 3.08Å
656	D	51.1	Low	62.3	Low	100 Å²	100	82.2 Å²	82.2	54%	0.535	39%	0.388	S	S	.	.			trans	-67.9	114.6	-178.8	-137.5	-11.5	0	0	0	109.3	D654 R658 K672	D654-D656 PolarHBondContact O-N 3.4Å; D654-D656 VanDerWaalsContact O-N 3.1Å; D656-R658 VanDerWaalsContact C-N 3.29Å; D656-R658 WeakPolarHBondContact OD1-CB 3.11Å; D656-R658 WeakPolarHBondContact OD1-CD 3.47Å; D656-R658 WeakPolarHBondContact OD1-CG 3.48Å; D656-R658 IonicContact OD1-NE 3.36Å; D656-K672 PolarHBondContact O-NZ 3.15Å
657	I	58.7	Low	64.4	Low	75 Å²	75	80.5 Å²	80.5	39%	0.385	37%	0.371	S	S	.	.			trans	-90.6	-5.8	173	-63.1	164.9	0	0	0	109.1	V550 Y655 A659 I673	V550-I657 HydrophobicContact CG1-CG2 4.43Å; Y655-I657 PolarHBondContact O-N 3.16Å; Y655-I657 VanDerWaalsContact O-N 3.08Å; I657-A659 PolarHBondContact O-N 2.75Å; I657-I673 HydrophobicContact CG2-CD1 4.35Å
658	R	63.6	Low	66.5	Low	184 Å²	184	77.9 Å²	77.9	69%	0.694	36%	0.361	S	S	*	.			trans	-55.6	112.1	179.4	-72.6	176.1	-174	-155	-1.6	109.4	D656	D656-R658 VanDerWaalsContact C-N 3.29Å; D656-R658 WeakPolarHBondContact OD1-CB 3.11Å; D656-R658 WeakPolarHBondContact OD1-CD 3.47Å; D656-R658 WeakPolarHBondContact OD1-CG 3.48Å; D656-R658 IonicContact OD1-NE 3.36Å
659	A	69.6	Low	68.9	Low	12 Å²	12	73 Å²	73	10%	0.099	34%	0.337	C	S	.	.			trans	-83.5	129.2	175.3	0	0	0	0	0	108.3	L546 V550 I657 S665 V666	L546-A659 HydrophobicContact CD2-CB 4.35Å; V550-A659 HydrophobicContact CG2-CB 4.09Å; I657-A659 PolarHBondContact O-N 2.75Å; A659-S665 VanDerWaalsContact CA-OG 3.31Å; A659-S665 WeakPolarHBondContact CA-OG 3.4Å; A659-V666 HydrophobicContact CB-CG2 4.2Å
660	D	80.7	Confident	71.2	Confident	116 Å²	116	65 Å²	65	62%	0.62	31%	0.307	S	S	*	.			trans	-63.5	158.6	163.8	-65	-37.7	0	0	0	109.5	T662 S665	D660-T662 PolarHBondContact O-N 2.62Å; D660-S665 PolarHBondContact N-OG 3.36Å; D660-S665 WeakPolarHBondContact O-CB 2.98Å
661	F	84.7	Confident	73.3	Confident	63 Å²	63	61.8 Å²	61.8	28%	0.276	29%	0.289	S	S	.	.	S	Bend	trans	-71.9	54.1	176.8	-81.3	-93	0	0	0	112.6	C497 S542 R543 L546 L601	C497-F661 VanDerWaalsContact SG-CE1 3.59Å; S542-F661 WeakPolarHBondContact OG-CZ 3.43Å; R543-F661 HydrophobicContact CG-CE2 3.55Å; R543-F661 HydrophobicContact CG-CZ 4.05Å; L546-F661 HydrophobicContact CD2-CD1 4.06Å; L546-F661 HydrophobicContact CD2-CD2 4.23Å; L546-F661 HydrophobicContact CD2-CE1 4.13Å; L546-F661 HydrophobicContact CD2-CE2 4.3Å; L546-F661 HydrophobicContact CD2-CG 4.11Å; L546-F661 HydrophobicContact CD2-CZ 4.23Å; L601-F661 HydrophobicContact CD2-CD1 4.32Å
662	T	89	Confident	75.5	Confident	33 Å²	33	57.1 Å²	57.1	20%	0.202	27%	0.267	C	S	.	.	S	Bend	trans	-133.3	144	174	61.6	0	0	0	0	108.9	E602 D660 I664 S665 V666	E602-T662 CarbonylContact O-C 3.55Å; E602-T662 WeakPolarHBondContact O-CA 3.27Å; D660-T662 PolarHBondContact O-N 2.62Å; T662-I664 PolarHBondContact O-N 3.03Å; T662-S665 PolarHBondContact O-N 3.41Å; T662-S665 VanDerWaalsContact O-N 3.1Å; T662-S665 VanDerWaalsContact OG1-CB 3.23Å; T662-S665 WeakPolarHBondContact OG1-CB 3.22Å; T662-S665 PolarHBondContact OG1-N 2.93Å; T662-V666 WeakPolarHBondContact O-CG2 3.5Å; T662-V666 PolarHBondContact O-N 3.46Å; T662-V666 VanDerWaalsContact O-N 3.07Å
663	K	91.3	Very high	77.9	Confident	16 Å²	16	49 Å²	49	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-52.2	-42.9	177.1	178.4	-165	167	-175.9	0	111.6	D594 V597 L601 E602 E603 V666 T667	D594-K663 VanDerWaalsContact O-CE 3.22Å; D594-K663 WeakPolarHBondContact O-CE 3.36Å; D594-K663 WeakPolarHBondContact OD1-CE 3.35Å; D594-K663 IonicContact OD1-NZ 2.85Å; D594-K663 WeakPolarHBondContact OD2-CE 3.44Å; D594-K663 IonicContact OD2-NZ 2.56Å; D594-K663 PolarHBondContact OD2-NZ 3.45Å; V597-K663 HydrophobicContact CB-CG 4.26Å; V597-K663 HydrophobicContact CG1-CB 4.01Å; V597-K663 HydrophobicContact CG1-CG 3.9Å; L601-K663 HydrophobicContact CB-CB 4.49Å; E602-K663 VanDerWaalsContact O-CB 3.32Å; E602-K663 WeakPolarHBondContact O-CB 3.48Å; E602-K663 PolarHBondContact O-N 3.07Å; E603-K663 IonicContact OE1-NZ 2.93Å; E603-K663 WeakPolarHBondContact OE2-CD 3.38Å; E603-K663 WeakPolarHBondContact OE2-CE 3.49Å; E603-K663 IonicContact OE2-NZ 3.42Å; E603-K663 PolarHBondContact OE2-NZ 3.16Å; K663-V666 PolarHBondContact O-N 3.2Å; K663-T667 PolarHBondContact O-N 3.49Å; K663-T667 PolarHBondContact O-OG1 3.29Å
664	I	88.9	Confident	80	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-36.1	179.9	-163.9	162.3	0	0	0	113.7	E603 R606 T662 T667 T668 V711	E603-I664 WeakPolarHBondContact O-CB 3.47Å; E603-I664 WeakPolarHBondContact O-CG2 3.41Å; E603-I664 PolarHBondContact O-N 3.31Å; E603-I664 VanDerWaalsContact O-N 3.16Å; R606-I664 HydrophobicContact CB-CD1 4.26Å; R606-I664 HydrophobicContact CG-CD1 3.02Å; R606-I664 VanDerWaalsContact NE-CD1 3.34Å; T662-I664 PolarHBondContact O-N 3.03Å; I664-T667 WeakPolarHBondContact CA-OG1 3.39Å; I664-T667 PolarHBondContact O-OG1 3.12Å; I664-T667 VanDerWaalsContact O-OG1 3.13Å; I664-T668 VanDerWaalsContact O-CB 3.23Å; I664-T668 WeakPolarHBondContact O-CB 3.36Å; I664-T668 PolarHBondContact O-N 2.77Å; I664-T668 PolarHBondContact O-OG1 2.9Å; I664-V711 HydrophobicContact CB-CG2 4.34Å; I664-V711 HydrophobicContact CD1-CG2 4.21Å; I664-V711 HydrophobicContact CG1-CG2 3.81Å; I664-V711 HydrophobicContact CG2-CG2 3.8Å
665	S	89.7	Confident	82.1	Confident	16 Å²	16	41.7 Å²	41.7	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-69.1	-39.7	177.6	-172.3	0	0	0	0	111.2	A659 D660 T662 T668 G669	A659-S665 VanDerWaalsContact CA-OG 3.31Å; A659-S665 WeakPolarHBondContact CA-OG 3.4Å; D660-S665 PolarHBondContact N-OG 3.36Å; D660-S665 WeakPolarHBondContact O-CB 2.98Å; T662-S665 PolarHBondContact O-N 3.41Å; T662-S665 VanDerWaalsContact O-N 3.1Å; T662-S665 VanDerWaalsContact OG1-CB 3.23Å; T662-S665 WeakPolarHBondContact OG1-CB 3.22Å; T662-S665 PolarHBondContact OG1-N 2.93Å; S665-T668 WeakPolarHBondContact O-CB 3.48Å; S665-T668 PolarHBondContact O-N 3.01Å; S665-G669 PolarHBondContact O-N 3.48Å
666	V	92.5	Very high	84.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-51.4	176	170.8	0	0	0	0	110.8	L546 F549 V550 V597 L601 A659 T662 K663 T668 G669 I670	L546-V666 HydrophobicContact CD1-CG2 3.65Å; L546-V666 HydrophobicContact CD2-CG2 4.31Å; L546-V666 HydrophobicContact CG-CG2 4.22Å; F549-V666 HydrophobicContact CD1-CG1 4.03Å; F549-V666 HydrophobicContact CE1-CG1 3.77Å; V550-V666 HydrophobicContact CG2-CB 4.37Å; V550-V666 HydrophobicContact CG2-CG1 3.89Å; V550-V666 HydrophobicContact CG2-CG2 4.47Å; V597-V666 HydrophobicContact CG1-CB 4.24Å; V597-V666 HydrophobicContact CG1-CG1 4.12Å; V597-V666 HydrophobicContact CG2-CG1 4.02Å; L601-V666 HydrophobicContact CD1-CG2 3.81Å; A659-V666 HydrophobicContact CB-CG2 4.2Å; T662-V666 WeakPolarHBondContact O-CG2 3.5Å; T662-V666 PolarHBondContact O-N 3.46Å; T662-V666 VanDerWaalsContact O-N 3.07Å; K663-V666 PolarHBondContact O-N 3.2Å; V666-T668 VanDerWaalsContact C-N 3.32Å; V666-T668 PolarHBondContact O-N 3.22Å; V666-G669 PolarHBondContact O-N 3.04Å; V666-I670 HydrophobicContact CG1-CD1 4.15Å; V666-I670 WeakPolarHBondContact O-CG1 3.37Å; V666-I670 PolarHBondContact O-N 2.98Å
667	T	91.9	Very high	86.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-35.7	178.6	48.7	0	0	0	0	112.2	D594 K663 I664 G669 I670 V671 F709	D594-T667 HydrophobicContact CB-CG2 4.23Å; K663-T667 PolarHBondContact O-N 3.49Å; K663-T667 PolarHBondContact O-OG1 3.29Å; I664-T667 WeakPolarHBondContact CA-OG1 3.39Å; I664-T667 PolarHBondContact O-OG1 3.12Å; I664-T667 VanDerWaalsContact O-OG1 3.13Å; T667-G669 PolarHBondContact O-N 3.36Å; T667-I670 PolarHBondContact O-N 3.23Å; T667-V671 VanDerWaalsContact O-CG2 3.29Å; T667-V671 WeakPolarHBondContact O-CG2 3.17Å; T667-V671 PolarHBondContact O-N 2.91Å; T667-F709 CarbonylContact C-O 3.53Å; T667-F709 WeakPolarHBondContact CB-O 3.26Å; T667-F709 PolarHBondContact OG1-O 3.2Å; T667-F709 VanDerWaalsContact OG1-O 3.05Å
668	T	90.4	Very high	87.8	Confident	20 Å²	20	30.4 Å²	30.4	12%	0.123	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-46.8	170.6	-62.3	0	0	0	0	111.8	I664 S665 V666 I670 V671 K672 F709 V710 V711 L715	I664-T668 VanDerWaalsContact O-CB 3.23Å; I664-T668 WeakPolarHBondContact O-CB 3.36Å; I664-T668 PolarHBondContact O-N 2.77Å; I664-T668 PolarHBondContact O-OG1 2.9Å; S665-T668 WeakPolarHBondContact O-CB 3.48Å; S665-T668 PolarHBondContact O-N 3.01Å; V666-T668 VanDerWaalsContact C-N 3.32Å; V666-T668 PolarHBondContact O-N 3.22Å; T668-I670 PolarHBondContact O-N 2.89Å; T668-V671 PolarHBondContact O-N 3.44Å; T668-K672 WeakPolarHBondContact O-CB 3.24Å; T668-K672 PolarHBondContact O-N 2.94Å; T668-F709 PolarHBondContact N-O 2.91Å; T668-V710 HydrophobicContact CG2-CG1 3.93Å; T668-V710 VanDerWaalsContact OG1-CA 3.29Å; T668-V710 WeakPolarHBondContact OG1-CA 3.46Å; T668-V711 PolarHBondContact OG1-N 3.12Å; T668-L715 HydrophobicContact CG2-CD2 4.03Å
669	G	90.7	Very high	89.1	Confident	6 Å²	6	23.4 Å²	23.4	6%	0.062	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-45.7	177.6	0	0	0	0	0	112.1	S665 V666 T667 K672 I673	S665-G669 PolarHBondContact O-N 3.48Å; V666-G669 PolarHBondContact O-N 3.04Å; T667-G669 PolarHBondContact O-N 3.36Å; G669-K672 PolarHBondContact O-N 2.86Å; G669-I673 WeakPolarHBondContact O-CG1 3.47Å; G669-I673 PolarHBondContact O-N 3.12Å
670	I	92.5	Very high	90.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-47	177.3	-66.8	171.4	0	0	0	111	F549 V550 E553 L557 L590 I593 V666 T667 T668 K672 I673 C674	F549-I670 HydrophobicContact CE1-CD1 4.33Å; V550-I670 HydrophobicContact CB-CG1 4.46Å; V550-I670 HydrophobicContact CG1-CG1 4.12Å; E553-I670 HydrophobicContact CB-CD1 3.8Å; E553-I670 HydrophobicContact CB-CG1 4.24Å; L557-I670 HydrophobicContact CD1-CG2 3.66Å; L590-I670 HydrophobicContact CD1-CG2 4.01Å; I593-I670 HydrophobicContact CG2-CD1 3.75Å; V666-I670 HydrophobicContact CG1-CD1 4.15Å; V666-I670 WeakPolarHBondContact O-CG1 3.37Å; V666-I670 PolarHBondContact O-N 2.98Å; T667-I670 PolarHBondContact O-N 3.23Å; T668-I670 PolarHBondContact O-N 2.89Å; I670-K672 VanDerWaalsContact C-N 3.34Å; I670-K672 PolarHBondContact O-N 3.38Å; I670-I673 PolarHBondContact O-N 2.87Å; I670-C674 WeakPolarHBondContact O-CB 3.35Å; I670-C674 PolarHBondContact O-N 3.49Å
671	V	91.9	Very high	90.6	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-42.2	177.3	171.4	0	0	0	0	111.2	L590 T667 T668 I673 C674 L675 L706 F709 V710	L590-V671 HydrophobicContact CD1-CG2 4.15Å; L590-V671 HydrophobicContact CD2-CG2 3.48Å; L590-V671 VanDerWaalsContact CD2-CG2 3.48Å; L590-V671 HydrophobicContact CG-CG2 4.47Å; T667-V671 VanDerWaalsContact O-CG2 3.29Å; T667-V671 WeakPolarHBondContact O-CG2 3.17Å; T667-V671 PolarHBondContact O-N 2.91Å; T668-V671 PolarHBondContact O-N 3.44Å; V671-I673 PolarHBondContact O-N 3.12Å; V671-C674 PolarHBondContact O-N 3Å; V671-L675 HydrophobicContact CG1-CD1 3.79Å; V671-L675 HydrophobicContact CG1-CG 4.08Å; V671-L675 WeakPolarHBondContact O-CB 3.37Å; V671-L675 WeakPolarHBondContact O-CG 3.42Å; V671-L675 PolarHBondContact O-N 3.47Å; V671-L706 HydrophobicContact CG1-CD1 4.09Å; V671-L706 HydrophobicContact CG2-CD2 4.28Å; V671-F709 HydrophobicContact CG2-CB 4.18Å; V671-V710 HydrophobicContact CB-CG2 3.96Å; V671-V710 HydrophobicContact CG1-CG2 3.76Å; V671-V710 HydrophobicContact CG2-CG2 4.13Å
672	K	89.9	Confident	91	Very high	19 Å²	19	18.8 Å²	18.8	8%	0.083	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-44	177.9	-173	178.1	-179.3	178.4	0	111.5	D654 D656 T668 G669 I670 K676	D654-K672 PolarHBondContact O-NZ 3.29Å; D656-K672 PolarHBondContact O-NZ 3.15Å; T668-K672 WeakPolarHBondContact O-CB 3.24Å; T668-K672 PolarHBondContact O-N 2.94Å; G669-K672 PolarHBondContact O-N 2.86Å; I670-K672 VanDerWaalsContact C-N 3.34Å; I670-K672 PolarHBondContact O-N 3.38Å; K672-K676 HydrophobicContact CG-CD 4.22Å; K672-K676 VanDerWaalsContact O-CB 3.27Å; K672-K676 WeakPolarHBondContact O-CB 3.46Å; K672-K676 VanDerWaalsContact O-CG 3.25Å; K672-K676 WeakPolarHBondContact O-CG 3.39Å; K672-K676 PolarHBondContact O-N 2.67Å
673	I	89.8	Confident	91	Very high	29 Å²	29	23.2 Å²	23.2	15%	0.149	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-50.5	174.1	-66.4	171.6	0	0	0	109.8	V550 M551 I657 G669 I670 V671 L675 K676 T677	V550-I673 HydrophobicContact CG1-CD1 3.99Å; M551-I673 HydrophobicContact CG-CD1 4.47Å; I657-I673 HydrophobicContact CG2-CD1 4.35Å; G669-I673 WeakPolarHBondContact O-CG1 3.47Å; G669-I673 PolarHBondContact O-N 3.12Å; I670-I673 PolarHBondContact O-N 2.87Å; V671-I673 PolarHBondContact O-N 3.12Å; I673-L675 PolarHBondContact O-N 2.9Å; I673-K676 PolarHBondContact O-N 3.4Å; I673-T677 PolarHBondContact O-N 3.44Å; I673-T677 PolarHBondContact O-OG1 3.28Å
674	C	91.8	Very high	91	Very high	8 Å²	8	27 Å²	27	5%	0.054	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-50.3	-178	-168.5	0	0	0	0	112.5	L561 I670 V671 T677 F678	L561-C674 VanDerWaalsContact CD1-SG 3.5Å; I670-C674 WeakPolarHBondContact O-CB 3.35Å; I670-C674 PolarHBondContact O-N 3.49Å; V671-C674 PolarHBondContact O-N 3Å; C674-T677 PolarHBondContact O-N 3.41Å; C674-F678 WeakPolarHBondContact O-CB 3.24Å; C674-F678 PolarHBondContact O-N 3.48Å
675	L	91.8	Very high	91.1	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-69.8	-36.9	-178.9	-67.7	-176.3	0	0	0	112.9	V671 I673 F678 L679 L702 L706 L719 L720	V671-L675 HydrophobicContact CG1-CD1 3.79Å; V671-L675 HydrophobicContact CG1-CG 4.08Å; V671-L675 WeakPolarHBondContact O-CB 3.37Å; V671-L675 WeakPolarHBondContact O-CG 3.42Å; V671-L675 PolarHBondContact O-N 3.47Å; I673-L675 PolarHBondContact O-N 2.9Å; L675-F678 WeakPolarHBondContact O-CB 3.45Å; L675-F678 PolarHBondContact O-N 2.76Å; L675-L679 PolarHBondContact O-N 3.37Å; L675-L702 HydrophobicContact CD2-CD1 4.21Å; L675-L706 HydrophobicContact CD1-CD1 4.11Å; L675-L706 HydrophobicContact CD2-CD1 3.94Å; L675-L706 HydrophobicContact CG-CD1 4.29Å; L675-L719 HydrophobicContact CB-CB 4.23Å; L675-L719 HydrophobicContact CB-CD1 4.02Å; L675-L719 HydrophobicContact CD1-CB 4.12Å; L675-L719 HydrophobicContact CD1-CD1 4.15Å; L675-L720 HydrophobicContact CD1-CG 4.49Å; L675-L720 HydrophobicContact CD2-CD2 3.69Å; L675-L720 HydrophobicContact CD2-CG 4.47Å
676	K	90.5	Very high	91.3	Very high	66 Å²	66	32.9 Å²	32.9	29%	0.287	16%	0.16	S	C	.	.	H	α-helix	trans	-66.6	-41.8	174.7	-75.7	-174.9	174.6	-165.1	0	111.7	K672 I673 F678 L679 E680 L719	K672-K676 HydrophobicContact CG-CD 4.22Å; K672-K676 VanDerWaalsContact O-CB 3.27Å; K672-K676 WeakPolarHBondContact O-CB 3.46Å; K672-K676 VanDerWaalsContact O-CG 3.25Å; K672-K676 WeakPolarHBondContact O-CG 3.39Å; K672-K676 PolarHBondContact O-N 2.67Å; I673-K676 PolarHBondContact O-N 3.4Å; K676-F678 VanDerWaalsContact C-N 3.28Å; K676-F678 PolarHBondContact O-N 2.74Å; K676-L679 PolarHBondContact O-N 3.02Å; K676-E680 PolarHBondContact O-N 2.88Å; K676-E680 VanDerWaalsContact O-N 3.12Å; K676-L719 HydrophobicContact CG-CD2 4.16Å
677	T	90.6	Very high	91.4	Very high	39 Å²	39	32.9 Å²	32.9	24%	0.239	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-39.2	171.6	-54.5	0	0	0	0	110.8	V562 I673 C674 L679 E680 V681	V562-T677 HydrophobicContact CG2-CG2 3.72Å; I673-T677 PolarHBondContact O-N 3.44Å; I673-T677 PolarHBondContact O-OG1 3.28Å; C674-T677 PolarHBondContact O-N 3.41Å; T677-L679 PolarHBondContact O-N 3.37Å; T677-E680 PolarHBondContact O-N 3.08Å; T677-V681 HydrophobicContact CG2-CG2 4.19Å; T677-V681 WeakPolarHBondContact O-CB 3.41Å; T677-V681 VanDerWaalsContact O-CG2 3.22Å; T677-V681 WeakPolarHBondContact O-CG2 3.22Å; T677-V681 PolarHBondContact O-N 3.12Å
678	F	92.9	Very high	91.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-46.1	177.3	-167.8	-154.4	0	0	0	112.4	L561 C674 L675 K676 E680 V681 V682 L695 L702 V723	L561-F678 HydrophobicContact CD1-CB 3.71Å; L561-F678 HydrophobicContact CD1-CD2 4.17Å; L561-F678 HydrophobicContact CD1-CG 3.9Å; L561-F678 HydrophobicContact CD2-CD2 4.32Å; L561-F678 HydrophobicContact CD2-CE2 4.48Å; C674-F678 WeakPolarHBondContact O-CB 3.24Å; C674-F678 PolarHBondContact O-N 3.48Å; L675-F678 WeakPolarHBondContact O-CB 3.45Å; L675-F678 PolarHBondContact O-N 2.76Å; K676-F678 VanDerWaalsContact C-N 3.28Å; K676-F678 PolarHBondContact O-N 2.74Å; F678-E680 VanDerWaalsContact C-N 3.32Å; F678-E680 PolarHBondContact O-N 3.24Å; F678-V681 PolarHBondContact O-N 3.36Å; F678-V682 HydrophobicContact CD2-CG2 3.92Å; F678-V682 HydrophobicContact CE2-CG2 3.73Å; F678-V682 HydrophobicContact CZ-CG2 4.37Å; F678-V682 WeakPolarHBondContact O-CB 3.4Å; F678-V682 VanDerWaalsContact O-CG2 3.26Å; F678-V682 WeakPolarHBondContact O-CG2 3.37Å; F678-V682 PolarHBondContact O-N 3.38Å; F678-L695 HydrophobicContact CE2-CD1 3.77Å; F678-L695 HydrophobicContact CZ-CD1 3.46Å; F678-L695 VanDerWaalsContact CZ-CD1 3.46Å; F678-L695 HydrophobicContact CZ-CG 4.25Å; F678-L702 HydrophobicContact CD1-CD1 4.41Å; F678-L702 HydrophobicContact CE1-CD1 4.2Å; F678-V723 HydrophobicContact CD1-CG1 3.95Å; F678-V723 HydrophobicContact CD1-CG2 4.12Å; F678-V723 HydrophobicContact CE1-CG1 3.79Å; F678-V723 HydrophobicContact CZ-CG1 4.22Å
679	L	90.7	Very high	91.7	Very high	36 Å²	36	35.3 Å²	35.3	19%	0.188	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-46.9	175.5	176.1	62	0	0	0	111.6	L675 K676 T677 V682 R683 E722 V723	L675-L679 PolarHBondContact O-N 3.37Å; K676-L679 PolarHBondContact O-N 3.02Å; T677-L679 PolarHBondContact O-N 3.37Å; L679-V682 PolarHBondContact O-N 3.34Å; L679-R683 WeakPolarHBondContact O-CB 3.22Å; L679-R683 PolarHBondContact O-N 2.8Å; L679-E722 HydrophobicContact CD1-CB 4.04Å; L679-E722 WeakPolarHBondContact CD1-O 3.44Å; L679-E722 HydrophobicContact CD2-CB 4.19Å; L679-E722 WeakPolarHBondContact CD2-OE2 3.09Å; L679-V723 HydrophobicContact CB-CG2 3.83Å; L679-V723 HydrophobicContact CD1-CG2 4.12Å
680	E	90.2	Very high	91.8	Very high	80 Å²	80	38.2 Å²	38.2	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-43.7	180	-178.4	57.9	-164.8	0	0	112.1	K676 T677 F678 V682 R683 L684	K676-E680 PolarHBondContact O-N 2.88Å; K676-E680 VanDerWaalsContact O-N 3.12Å; T677-E680 PolarHBondContact O-N 3.08Å; F678-E680 VanDerWaalsContact C-N 3.32Å; F678-E680 PolarHBondContact O-N 3.24Å; E680-V682 PolarHBondContact O-N 3.37Å; E680-R683 WeakPolarHBondContact O-CB 3.47Å; E680-R683 PolarHBondContact O-N 3.43Å; E680-R683 IonicContact OE1-CZ 3.9Å; E680-R683 IonicContact OE1-NE 2.84Å; E680-R683 IonicContact OE1-NH2 3.5Å; E680-R683 PolarHBondContact OE1-NH2 2.95Å; E680-R683 IonicContact OE2-CZ 3.49Å; E680-R683 IonicContact OE2-NE 3.76Å; E680-R683 PolarHBondContact OE2-NE 3.37Å; E680-R683 IonicContact OE2-NH2 2.67Å; E680-R683 PolarHBondContact OE2-NH2 3.36Å; E680-L684 HydrophobicContact CG-CD1 4.39Å; E680-L684 WeakPolarHBondContact O-CG 3.36Å; E680-L684 PolarHBondContact O-N 3.35Å
681	V	91.8	Very high	91.9	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.085	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-42.5	174.3	167.5	0	0	0	0	110.8	V562 A565 T677 F678 L684 R685	V562-V681 HydrophobicContact CB-CG2 4.22Å; V562-V681 HydrophobicContact CG2-CG2 3.52Å; A565-V681 HydrophobicContact CB-CG1 3.18Å; T677-V681 HydrophobicContact CG2-CG2 4.19Å; T677-V681 WeakPolarHBondContact O-CB 3.41Å; T677-V681 VanDerWaalsContact O-CG2 3.22Å; T677-V681 WeakPolarHBondContact O-CG2 3.22Å; T677-V681 PolarHBondContact O-N 3.12Å; F678-V681 PolarHBondContact O-N 3.36Å; V681-L684 PolarHBondContact O-N 2.92Å; V681-R685 WeakPolarHBondContact O-CG 3.25Å
682	V	91.4	Very high	91.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-41.2	178.9	167.9	0	0	0	0	111.7	F678 L679 E680 L684 R685 Y687 L695 V723 A727	F678-V682 HydrophobicContact CD2-CG2 3.92Å; F678-V682 HydrophobicContact CE2-CG2 3.73Å; F678-V682 HydrophobicContact CZ-CG2 4.37Å; F678-V682 WeakPolarHBondContact O-CB 3.4Å; F678-V682 VanDerWaalsContact O-CG2 3.26Å; F678-V682 WeakPolarHBondContact O-CG2 3.37Å; F678-V682 PolarHBondContact O-N 3.38Å; L679-V682 PolarHBondContact O-N 3.34Å; E680-V682 PolarHBondContact O-N 3.37Å; V682-L684 PolarHBondContact O-N 2.93Å; V682-R685 PolarHBondContact O-N 2.78Å; V682-R685 VanDerWaalsContact O-N 3.16Å; V682-Y687 VanDerWaalsContact CA-OH 3.26Å; V682-Y687 WeakPolarHBondContact CA-OH 3.44Å; V682-Y687 HydrophobicContact CG1-CE2 3.93Å; V682-Y687 WeakPolarHBondContact CG2-OH 3.36Å; V682-Y687 WeakPolarHBondContact O-CE2 3.29Å; V682-L695 HydrophobicContact CG1-CD2 3.87Å; V682-L695 HydrophobicContact CG2-CD1 3.89Å; V682-L695 HydrophobicContact CG2-CD2 3.93Å; V682-V723 HydrophobicContact CG2-CG1 4.05Å; V682-A727 HydrophobicContact CG1-CB 3.71Å
683	R	89.9	Confident	92.1	Very high	125 Å²	125	37.8 Å²	37.8	47%	0.472	18%	0.181	S	C	.	.	H	α-helix	trans	-58.2	-32.5	177.7	-166.4	-176.9	71	84	0.8	112.7	L679 E680 R730	L679-R683 WeakPolarHBondContact O-CB 3.22Å; L679-R683 PolarHBondContact O-N 2.8Å; E680-R683 WeakPolarHBondContact O-CB 3.47Å; E680-R683 PolarHBondContact O-N 3.43Å; E680-R683 IonicContact OE1-CZ 3.9Å; E680-R683 IonicContact OE1-NE 2.84Å; E680-R683 IonicContact OE1-NH2 3.5Å; E680-R683 PolarHBondContact OE1-NH2 2.95Å; E680-R683 IonicContact OE2-CZ 3.49Å; E680-R683 IonicContact OE2-NE 3.76Å; E680-R683 PolarHBondContact OE2-NE 3.37Å; E680-R683 IonicContact OE2-NH2 2.67Å; E680-R683 PolarHBondContact OE2-NH2 3.36Å; R683-R730 PolarHBondContact O-NE 2.93Å
684	L	91.4	Very high	92.3	Very high	95 Å²	95	36.9 Å²	36.9	50%	0.497	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.8	-177.5	-63.9	175.5	0	0	0	114.6	E680 V681 V682	E680-L684 HydrophobicContact CG-CD1 4.39Å; E680-L684 WeakPolarHBondContact O-CG 3.36Å; E680-L684 PolarHBondContact O-N 3.35Å; V681-L684 PolarHBondContact O-N 2.92Å; V682-L684 PolarHBondContact O-N 2.93Å
685	R	91.7	Very high	92.3	Very high	74 Å²	74	36.5 Å²	36.5	28%	0.279	17%	0.174	S	C	.	.			trans	-114.8	171.6	-179.4	-65.4	-68.7	177.2	-97.6	-2.6	111.6	E566 V681 V682 Y687 R730	E566-R685 IonicContact OE1-NH2 3.89Å; V681-R685 WeakPolarHBondContact O-CG 3.25Å; V682-R685 PolarHBondContact O-N 2.78Å; V682-R685 VanDerWaalsContact O-N 3.16Å; R685-Y687 HydrophobicContact CB-CE2 3.83Å; R685-R730 WeakPolarHBondContact O-CB 3.46Å; R685-R730 PolarHBondContact O-NE 3.05Å; R685-R730 PolarHBondContact O-NH2 3.24Å
686	T	93.1	Very high	92.3	Very high	69 Å²	69	36.3 Å²	36.3	42%	0.423	17%	0.173	S	C	.	.			trans	-126.5	139.3	172.7	48.4	0	0	0	0	108.3	W570 R730	W570-T686 WeakPolarHBondContact CB-O 3.29Å; T686-R730 WeakPolarHBondContact CA-O 3.5Å
687	Y	94.3	Very high	92.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-120.4	140.4	-169.1	-63.2	-87.6	0	0	0	111.9	W570 V682 R685 A727 R730 C731 V732	W570-Y687 HydrophobicContact CB-CD1 4Å; W570-Y687 HydrophobicContact CB-CE1 4.33Å; W570-Y687 AromaticContact CD2-CD1 3.76Å; W570-Y687 HydrophobicContact CD2-CD1 3.76Å; W570-Y687 AromaticContact CD2-CE1 3.4Å; W570-Y687 HydrophobicContact CD2-CE1 3.4Å; W570-Y687 AromaticContact CE2-CE1 3.87Å; W570-Y687 AromaticContact CE3-CD1 3.5Å; W570-Y687 HydrophobicContact CE3-CD1 3.5Å; W570-Y687 AromaticContact CE3-CE1 3.37Å; W570-Y687 HydrophobicContact CE3-CE1 3.37Å; W570-Y687 HydrophobicContact CG-CD1 4Å; W570-Y687 AromaticContact CG-CE1 3.85Å; W570-Y687 HydrophobicContact CG-CE1 3.85Å; W570-Y687 HydrophobicContact CH2-CE1 4.16Å; W570-Y687 HydrophobicContact CZ2-CE1 4.23Å; W570-Y687 HydrophobicContact CZ3-CD1 4.15Å; W570-Y687 AromaticContact CZ3-CE1 3.76Å; W570-Y687 HydrophobicContact CZ3-CE1 3.76Å; V682-Y687 VanDerWaalsContact CA-OH 3.26Å; V682-Y687 WeakPolarHBondContact CA-OH 3.44Å; V682-Y687 HydrophobicContact CG1-CE2 3.93Å; V682-Y687 WeakPolarHBondContact CG2-OH 3.36Å; V682-Y687 WeakPolarHBondContact O-CE2 3.29Å; R685-Y687 HydrophobicContact CB-CE2 3.83Å; Y687-A727 HydrophobicContact CD2-CB 4.39Å; Y687-A727 HydrophobicContact CE2-CB 4.36Å; Y687-R730 HydrophobicContact CD2-CB 4.01Å; Y687-R730 HydrophobicContact CE2-CB 4.37Å; Y687-R730 PolarHBondContact N-O 3Å; Y687-C731 VanDerWaalsContact O-CA 3.25Å; Y687-C731 WeakPolarHBondContact O-CA 3.33Å; Y687-C731 PolarHBondContact O-SG 3.46Å; Y687-V732 PolarHBondContact O-N 3Å
688	S	94.6	Very high	92.4	Very high	18 Å²	18	31.3 Å²	31.3	13%	0.126	15%	0.147	C	C	.	.			trans	-78.4	171.6	158.9	72.3	0	0	0	0	110.9	W570 M571 F690 G691 L692 C731	W570-S688 PolarHBondContact O-N 3.02Å; W570-S688 PolarHBondContact O-OG 3.18Å; M571-S688 VanDerWaalsContact O-CB 3.22Å; M571-S688 WeakPolarHBondContact O-CB 3.39Å; M571-S688 PolarHBondContact O-OG 3.27Å; S688-F690 VanDerWaalsContact C-N 3.33Å; S688-F690 PolarHBondContact O-N 2.9Å; S688-G691 PolarHBondContact O-N 3.47Å; S688-G691 VanDerWaalsContact O-N 3.14Å; S688-G691 PolarHBondContact OG-N 2.95Å; S688-L692 PolarHBondContact O-N 3.27Å; S688-C731 VanDerWaalsContact C-SG 3.58Å; S688-C731 PolarHBondContact O-SG 3.33Å
689	K	93.5	Very high	92.4	Very high	53 Å²	53	31.2 Å²	31.2	23%	0.23	15%	0.147	C	C	.	.	H	α-helix	trans	-48.3	-52.5	172.8	169	177	165.4	178.9	0	112.3	L692 Q693 Q735	K689-L692 PolarHBondContact O-N 3.46Å; K689-Q693 WeakPolarHBondContact O-CG 3.48Å; K689-Q693 PolarHBondContact O-N 3Å; K689-Q735 HydrophobicContact CD-CB 4.09Å; K689-Q735 HydrophobicContact CG-CB 4.15Å
690	F	94.2	Very high	92.1	Very high	68 Å²	68	30 Å²	30	30%	0.298	14%	0.14	S	C	.	.	H	α-helix	trans	-72.8	-28.6	-178.6	-61.9	-52.3	0	0	0	112.8	S573 E575 S688 Q693 Q694	S573-F690 WeakPolarHBondContact O-CB 3.35Å; S573-F690 WeakPolarHBondContact O-CD2 3.31Å; E575-F690 HydrophobicContact CB-CD1 3.98Å; E575-F690 HydrophobicContact CB-CE1 3.86Å; E575-F690 HydrophobicContact CB-CG 4.5Å; E575-F690 HydrophobicContact CB-CZ 4.3Å; E575-F690 HydrophobicContact CG-CD1 4.21Å; E575-F690 HydrophobicContact CG-CE1 3.97Å; S688-F690 VanDerWaalsContact C-N 3.33Å; S688-F690 PolarHBondContact O-N 2.9Å; F690-Q693 PolarHBondContact O-N 3.29Å; F690-Q694 PolarHBondContact O-N 3.18Å
691	G	93.9	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-43.3	170.6	0	0	0	0	0	112.4	S688 Q694 L695	S688-G691 PolarHBondContact O-N 3.47Å; S688-G691 VanDerWaalsContact O-N 3.14Å; S688-G691 PolarHBondContact OG-N 2.95Å; G691-Q694 PolarHBondContact O-N 2.86Å; G691-L695 PolarHBondContact O-N 3.44Å
692	L	92.8	Very high	92	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-45.7	174.7	174.3	64.2	0	0	0	111.8	S688 K689 Q694 L695 Q696 A727 V728 C731 P734 L736	S688-L692 PolarHBondContact O-N 3.27Å; K689-L692 PolarHBondContact O-N 3.46Å; L692-Q694 VanDerWaalsContact C-N 3.31Å; L692-Q694 PolarHBondContact O-N 3.34Å; L692-L695 WeakPolarHBondContact O-CB 3.5Å; L692-L695 PolarHBondContact O-N 2.98Å; L692-L695 VanDerWaalsContact O-N 3.14Å; L692-Q696 PolarHBondContact O-N 2.74Å; L692-A727 HydrophobicContact CD1-CB 3.62Å; L692-V728 HydrophobicContact CD1-CG2 3.89Å; L692-V728 HydrophobicContact CD2-CG2 4.09Å; L692-C731 HydrophobicContact CB-CB 4.41Å; L692-C731 HydrophobicContact CD2-CB 4.03Å; L692-P734 HydrophobicContact CD2-CB 4.27Å; L692-L736 HydrophobicContact CD1-CD2 4.27Å; L692-L736 HydrophobicContact CD2-CD2 3.95Å; L692-L736 HydrophobicContact CG-CD2 4.01Å
693	Q	93.5	Very high	91.8	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.056	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-36.4	178.9	-69.3	178.8	-3	0	0	112.5	P576 K689 F690 L695 Q696 I697 Q735 M737	P576-Q693 HydrophobicContact CG-CB 3.68Å; K689-Q693 WeakPolarHBondContact O-CG 3.48Å; K689-Q693 PolarHBondContact O-N 3Å; F690-Q693 PolarHBondContact O-N 3.29Å; Q693-L695 VanDerWaalsContact C-N 3.34Å; Q693-Q696 WeakPolarHBondContact O-CB 3.15Å; Q693-Q696 PolarHBondContact O-N 3.05Å; Q693-I697 PolarHBondContact O-N 3.25Å; Q693-I697 VanDerWaalsContact O-N 3.09Å; Q693-Q735 WeakPolarHBondContact CG-O 3.47Å; Q693-Q735 PolarHBondContact NE2-O 3.29Å; Q693-M737 HydrophobicContact CB-CB 4.37Å; Q693-M737 HydrophobicContact CB-CE 4.3Å; Q693-M737 HydrophobicContact CG-CB 4.03Å
694	Q	93.6	Very high	91.5	Very high	9 Å²	9	23.8 Å²	23.8	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-44	173.5	-178	66.9	67.3	0	0	110.9	P576 T578 R580 F690 G691 L692 Q696 I697 D698	P576-Q694 HydrophobicContact CB-CB 3.98Å; P576-Q694 HydrophobicContact CB-CG 4.5Å; P576-Q694 HydrophobicContact CG-CB 4.48Å; T578-Q694 PolarHBondContact O-NE2 3.05Å; R580-Q694 HydrophobicContact CG-CG 4.08Å; F690-Q694 PolarHBondContact O-N 3.18Å; G691-Q694 PolarHBondContact O-N 2.86Å; L692-Q694 VanDerWaalsContact C-N 3.31Å; L692-Q694 PolarHBondContact O-N 3.34Å; Q694-Q696 VanDerWaalsContact C-N 3.29Å; Q694-Q696 PolarHBondContact O-N 3.15Å; Q694-I697 PolarHBondContact O-N 2.93Å; Q694-D698 PolarHBondContact NE2-OD1 2.93Å; Q694-D698 VanDerWaalsContact NE2-OD1 3.17Å; Q694-D698 PolarHBondContact O-N 3.36Å
695	L	92.3	Very high	91.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-37.4	178.3	-160.3	84.2	0	0	0	111.7	W570 F678 V682 G691 L692 Q693 D698 C699 V723 A727	W570-L695 HydrophobicContact CH2-CD1 4.18Å; F678-L695 HydrophobicContact CE2-CD1 3.77Å; F678-L695 HydrophobicContact CZ-CD1 3.46Å; F678-L695 VanDerWaalsContact CZ-CD1 3.46Å; F678-L695 HydrophobicContact CZ-CG 4.25Å; V682-L695 HydrophobicContact CG1-CD2 3.87Å; V682-L695 HydrophobicContact CG2-CD1 3.89Å; V682-L695 HydrophobicContact CG2-CD2 3.93Å; G691-L695 PolarHBondContact O-N 3.44Å; L692-L695 WeakPolarHBondContact O-CB 3.5Å; L692-L695 PolarHBondContact O-N 2.98Å; L692-L695 VanDerWaalsContact O-N 3.14Å; Q693-L695 VanDerWaalsContact C-N 3.34Å; L695-D698 PolarHBondContact O-N 3.11Å; L695-C699 WeakPolarHBondContact O-CB 3.24Å; L695-C699 PolarHBondContact O-N 3.41Å; L695-C699 PolarHBondContact O-SG 2.84Å; L695-V723 HydrophobicContact CD2-CG1 4.01Å; L695-A727 HydrophobicContact CD2-CB 3.2Å
696	Q	90.9	Very high	91.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-45	174.4	-173.2	-173.4	-6.9	0	0	111.6	W629 L692 Q693 Q694 H700 M737 V742	W629-Q696 HydrophobicContact CE3-CG 4.23Å; W629-Q696 HydrophobicContact CZ3-CG 3.86Å; L692-Q696 PolarHBondContact O-N 2.74Å; Q693-Q696 WeakPolarHBondContact O-CB 3.15Å; Q693-Q696 PolarHBondContact O-N 3.05Å; Q694-Q696 VanDerWaalsContact C-N 3.29Å; Q694-Q696 PolarHBondContact O-N 3.15Å; Q696-H700 WeakPolarHBondContact O-CB 3.3Å; Q696-H700 PolarHBondContact O-N 3Å; Q696-M737 PolarHBondContact NE2-O 3.14Å; Q696-V742 HydrophobicContact CG-CG2 4.29Å
697	I	91.3	Very high	90.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-47	175.4	-72.7	160.9	0	0	0	110.9	P576 V579 Q693 Q694 C699 H700 Y701 M737 V742 V745	P576-I697 HydrophobicContact CB-CD1 3.64Å; P576-I697 HydrophobicContact CG-CD1 3.67Å; V579-I697 HydrophobicContact CB-CG2 4.44Å; V579-I697 HydrophobicContact CG2-CG2 3.69Å; Q693-I697 PolarHBondContact O-N 3.25Å; Q693-I697 VanDerWaalsContact O-N 3.09Å; Q694-I697 PolarHBondContact O-N 2.93Å; I697-C699 PolarHBondContact O-N 3.18Å; I697-H700 PolarHBondContact O-N 3.39Å; I697-Y701 PolarHBondContact O-N 3.33Å; I697-M737 HydrophobicContact CD1-CE 4.26Å; I697-M737 HydrophobicContact CD1-SD 3.94Å; I697-M737 HydrophobicContact CG1-SD 4.39Å; I697-V742 HydrophobicContact CG1-CG1 4.12Å; I697-V742 HydrophobicContact CG1-CG2 4.25Å; I697-V745 HydrophobicContact CD1-CG1 4.31Å; I697-V745 HydrophobicContact CG2-CG1 3.91Å
698	D	93	Very high	90.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-42.2	-179.6	-62.8	-31	0	0	0	112.5	R580 I583 Q694 L695 Y701 L702	R580-D698 IonicContact CZ-OD2 3.13Å; R580-D698 PolarHBondContact N-OD1 2.9Å; R580-D698 IonicContact NE-OD1 3.96Å; R580-D698 IonicContact NE-OD2 2.63Å; R580-D698 PolarHBondContact NE-OD2 3.42Å; R580-D698 IonicContact NH2-OD2 2.76Å; R580-D698 PolarHBondContact NH2-OD2 2.91Å; I583-D698 HydrophobicContact CD1-CB 4.12Å; I583-D698 HydrophobicContact CG1-CB 3.82Å; I583-D698 HydrophobicContact CG2-CB 4.48Å; Q694-D698 PolarHBondContact NE2-OD1 2.93Å; Q694-D698 VanDerWaalsContact NE2-OD1 3.17Å; Q694-D698 PolarHBondContact O-N 3.36Å; L695-D698 PolarHBondContact O-N 3.11Å; D698-Y701 PolarHBondContact O-N 3.43Å; D698-L702 WeakPolarHBondContact O-CG 3.42Å; D698-L702 PolarHBondContact O-N 2.9Å
699	C	91.7	Very high	89.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-40.9	176.9	-66.2	0	0	0	0	111	L695 I697 L702 Q703 L720 V724	L695-C699 WeakPolarHBondContact O-CB 3.24Å; L695-C699 PolarHBondContact O-N 3.41Å; L695-C699 PolarHBondContact O-SG 2.84Å; I697-C699 PolarHBondContact O-N 3.18Å; C699-L702 PolarHBondContact O-N 3.11Å; C699-Q703 WeakPolarHBondContact O-CB 3.34Å; C699-Q703 PolarHBondContact O-N 3.19Å; C699-L720 HydrophobicContact CB-CD2 4.28Å; C699-L720 WeakPolarHBondContact O-CD1 3.4Å; C699-V724 HydrophobicContact CB-CG2 3.77Å
700	H	86	Confident	89.5	Confident	9 Å²	9	20.3 Å²	20.3	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-41.7	175.9	-170.9	57.4	0	0	0	111.9	Y622 Q696 I697 Q703 L704 V742 S743	Y622-H700 AromaticContact CD1-CE1 3.96Å; Y622-H700 AromaticContact CD2-CE1 3.73Å; Y622-H700 AromaticContact CD2-ND1 3.48Å; Y622-H700 WeakPolarHBondContact CD2-ND1 3.39Å; Y622-H700 AromaticContact CE1-CE1 3.9Å; Y622-H700 HydrophobicContact CE2-CB 4.43Å; Y622-H700 AromaticContact CE2-CE1 3.71Å; Y622-H700 AromaticContact CE2-CG 3.97Å; Y622-H700 AromaticContact CE2-ND1 3.15Å; Y622-H700 WeakPolarHBondContact CE2-ND1 3.46Å; Y622-H700 AromaticContact CG-CE1 3.86Å; Y622-H700 AromaticContact CZ-CE1 3.79Å; Y622-H700 AromaticContact CZ-CG 3.98Å; Y622-H700 AromaticContact CZ-ND1 3.47Å; Q696-H700 WeakPolarHBondContact O-CB 3.3Å; Q696-H700 PolarHBondContact O-N 3Å; I697-H700 PolarHBondContact O-N 3.39Å; H700-Q703 PolarHBondContact ND1-OE1 3.36Å; H700-Q703 WeakPolarHBondContact O-CB 3.02Å; H700-Q703 PolarHBondContact O-N 3.28Å; H700-L704 WeakPolarHBondContact O-CG 3.47Å; H700-L704 PolarHBondContact O-N 3.19Å; H700-L704 VanDerWaalsContact O-N 3.12Å; H700-V742 HydrophobicContact CB-CG1 3.61Å; H700-S743 PolarHBondContact NE2-OG 2.94Å; H700-S743 VanDerWaalsContact NE2-OG 3.08Å
701	Y	88.9	Confident	88.9	Confident	15 Å²	15	19 Å²	19	6%	0.059	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-47.2	174.6	-174.5	-88.6	0	0	0	111.5	V579 I583 K584 V587 I697 D698 Q703 L704 F705 C746 E749	V579-Y701 HydrophobicContact CB-CD2 4.27Å; V579-Y701 HydrophobicContact CB-CG 4.37Å; V579-Y701 HydrophobicContact CG1-CD1 3.96Å; V579-Y701 HydrophobicContact CG1-CD2 4.05Å; V579-Y701 HydrophobicContact CG1-CG 3.68Å; V579-Y701 HydrophobicContact CG2-CD2 3.61Å; V579-Y701 HydrophobicContact CG2-CE2 4.34Å; V579-Y701 HydrophobicContact CG2-CG 3.92Å; I583-Y701 HydrophobicContact CG2-CD1 3.74Å; I583-Y701 HydrophobicContact CG2-CE1 4.43Å; K584-Y701 HydrophobicContact CG-CE1 4.22Å; V587-Y701 HydrophobicContact CB-CE1 4.48Å; V587-Y701 HydrophobicContact CG2-CD1 4.39Å; V587-Y701 HydrophobicContact CG2-CE1 3.91Å; I697-Y701 PolarHBondContact O-N 3.33Å; D698-Y701 PolarHBondContact O-N 3.43Å; Y701-Q703 VanDerWaalsContact C-N 3.3Å; Y701-Q703 PolarHBondContact O-N 3.34Å; Y701-L704 WeakPolarHBondContact O-CB 3.39Å; Y701-L704 PolarHBondContact O-N 3.5Å; Y701-L704 VanDerWaalsContact O-N 3.12Å; Y701-F705 AromaticContact CD1-CD2 3.98Å; Y701-F705 HydrophobicContact CD1-CD2 3.98Å; Y701-F705 HydrophobicContact CD1-CE2 4.32Å; Y701-F705 HydrophobicContact CD2-CD2 4.23Å; Y701-F705 AromaticContact CD2-CE2 3.8Å; Y701-F705 HydrophobicContact CD2-CE2 3.8Å; Y701-F705 AromaticContact CE1-CD2 3.69Å; Y701-F705 HydrophobicContact CE1-CD2 3.69Å; Y701-F705 AromaticContact CE1-CE2 3.91Å; Y701-F705 HydrophobicContact CE1-CE2 3.91Å; Y701-F705 AromaticContact CE2-CD2 3.99Å; Y701-F705 HydrophobicContact CE2-CD2 3.99Å; Y701-F705 AromaticContact CE2-CE2 3.36Å; Y701-F705 HydrophobicContact CE2-CE2 3.36Å; Y701-F705 HydrophobicContact CE2-CZ 4.23Å; Y701-F705 HydrophobicContact CG-CD2 4.26Å; Y701-F705 HydrophobicContact CG-CE2 4.29Å; Y701-F705 AromaticContact CZ-CD2 3.7Å; Y701-F705 AromaticContact CZ-CE2 3.41Å; Y701-F705 VanDerWaalsContact CZ-CE2 3.41Å; Y701-F705 VanDerWaalsContact O-CD2 3.32Å; Y701-F705 WeakPolarHBondContact O-CD2 3.31Å; Y701-F705 PolarHBondContact O-N 3.31Å; Y701-C746 HydrophobicContact CD2-CB 4.44Å; Y701-E749 HydrophobicContact CE2-CB 4.28Å
702	L	91.3	Very high	88.3	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-58.1	-42.4	175.3	-72.8	178.4	0	0	0	112	I583 V587 L675 F678 D698 C699 L704 F705 L706 L720	I583-L702 HydrophobicContact CD1-CD1 4.31Å; I583-L702 HydrophobicContact CG2-CD1 4.42Å; I583-L702 HydrophobicContact CG2-CD2 3.67Å; I583-L702 HydrophobicContact CG2-CG 3.71Å; V587-L702 HydrophobicContact CG2-CD2 4Å; L675-L702 HydrophobicContact CD2-CD1 4.21Å; F678-L702 HydrophobicContact CD1-CD1 4.41Å; F678-L702 HydrophobicContact CE1-CD1 4.2Å; D698-L702 WeakPolarHBondContact O-CG 3.42Å; D698-L702 PolarHBondContact O-N 2.9Å; C699-L702 PolarHBondContact O-N 3.11Å; L702-L704 VanDerWaalsContact C-N 3.26Å; L702-L704 PolarHBondContact O-N 3.49Å; L702-F705 PolarHBondContact O-N 2.81Å; L702-L706 HydrophobicContact CB-CD1 3.85Å; L702-L706 HydrophobicContact CB-CG 4.18Å; L702-L706 HydrophobicContact CD2-CD1 4.07Å; L702-L706 HydrophobicContact CD2-CD2 4.44Å; L702-L706 HydrophobicContact CD2-CG 4.17Å; L702-L706 HydrophobicContact CG-CD1 4.37Å; L702-L706 WeakPolarHBondContact O-CB 3.49Å; L702-L706 VanDerWaalsContact O-CG 3.22Å; L702-L706 WeakPolarHBondContact O-CG 3.44Å; L702-L706 PolarHBondContact O-N 3.38Å; L702-L720 HydrophobicContact CB-CD1 4.18Å; L702-L720 HydrophobicContact CB-CD2 4.33Å; L702-L720 HydrophobicContact CD1-CD2 4.22Å
703	Q	85.4	Confident	87.7	Confident	23 Å²	23	23.2 Å²	23.2	11%	0.107	11%	0.105	C	C	.	.	H	α-helix	trans	-57.7	-38	176.7	-171.8	-175.4	7.5	0	0	112.5	C699 H700 Y701 F705 L717 L720	C699-Q703 WeakPolarHBondContact O-CB 3.34Å; C699-Q703 PolarHBondContact O-N 3.19Å; H700-Q703 PolarHBondContact ND1-OE1 3.36Å; H700-Q703 WeakPolarHBondContact O-CB 3.02Å; H700-Q703 PolarHBondContact O-N 3.28Å; Y701-Q703 VanDerWaalsContact C-N 3.3Å; Y701-Q703 PolarHBondContact O-N 3.34Å; Q703-F705 VanDerWaalsContact C-N 3.33Å; Q703-F705 PolarHBondContact O-N 3.21Å; Q703-L717 HydrophobicContact CG-CD2 3.98Å; Q703-L720 HydrophobicContact CB-CD1 3.82Å
704	L	84.6	Confident	86.9	Confident	50 Å²	50	25 Å²	25	26%	0.262	12%	0.119	S	C	.	.	H	α-helix	trans	-69.8	-25.8	-179.2	-69.8	171.8	0	0	0	114	H700 Y701 L702 W707 C746	H700-L704 WeakPolarHBondContact O-CG 3.47Å; H700-L704 PolarHBondContact O-N 3.19Å; H700-L704 VanDerWaalsContact O-N 3.12Å; Y701-L704 WeakPolarHBondContact O-CB 3.39Å; Y701-L704 PolarHBondContact O-N 3.5Å; Y701-L704 VanDerWaalsContact O-N 3.12Å; L702-L704 VanDerWaalsContact C-N 3.26Å; L702-L704 PolarHBondContact O-N 3.49Å; L704-W707 PolarHBondContact O-NE1 3.38Å; L704-C746 HydrophobicContact CD1-CB 3.79Å
705	F	86.4	Confident	86.3	Confident	29 Å²	29	25.9 Å²	25.9	13%	0.127	12%	0.123	C	C	.	.	H	α-helix	trans	-113.8	-32.1	-174.1	-68.3	-78.4	0	0	0	114.2	V587 Y701 L702 Q703 W707	V587-F705 HydrophobicContact CG1-CB 3.66Å; V587-F705 HydrophobicContact CG1-CD1 4.34Å; V587-F705 HydrophobicContact CG1-CG 4Å; V587-F705 HydrophobicContact CG2-CB 4.08Å; Y701-F705 AromaticContact CD1-CD2 3.98Å; Y701-F705 HydrophobicContact CD1-CD2 3.98Å; Y701-F705 HydrophobicContact CD1-CE2 4.32Å; Y701-F705 HydrophobicContact CD2-CD2 4.23Å; Y701-F705 AromaticContact CD2-CE2 3.8Å; Y701-F705 HydrophobicContact CD2-CE2 3.8Å; Y701-F705 AromaticContact CE1-CD2 3.69Å; Y701-F705 HydrophobicContact CE1-CD2 3.69Å; Y701-F705 AromaticContact CE1-CE2 3.91Å; Y701-F705 HydrophobicContact CE1-CE2 3.91Å; Y701-F705 AromaticContact CE2-CD2 3.99Å; Y701-F705 HydrophobicContact CE2-CD2 3.99Å; Y701-F705 AromaticContact CE2-CE2 3.36Å; Y701-F705 HydrophobicContact CE2-CE2 3.36Å; Y701-F705 HydrophobicContact CE2-CZ 4.23Å; Y701-F705 HydrophobicContact CG-CD2 4.26Å; Y701-F705 HydrophobicContact CG-CE2 4.29Å; Y701-F705 AromaticContact CZ-CD2 3.7Å; Y701-F705 AromaticContact CZ-CE2 3.41Å; Y701-F705 VanDerWaalsContact CZ-CE2 3.41Å; Y701-F705 VanDerWaalsContact O-CD2 3.32Å; Y701-F705 WeakPolarHBondContact O-CD2 3.31Å; Y701-F705 PolarHBondContact O-N 3.31Å; L702-F705 PolarHBondContact O-N 2.81Å; Q703-F705 VanDerWaalsContact C-N 3.33Å; Q703-F705 PolarHBondContact O-N 3.21Å; F705-W707 VanDerWaalsContact C-N 3.29Å; F705-W707 PolarHBondContact O-N 3.17Å
706	L	88.4	Confident	85.8	Confident	5 Å²	5	26 Å²	26	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-68.6	-24.7	-172.9	-71.1	-174.7	0	0	0	113.8	L590 V671 L675 L702 R708 F709 I716	L590-L706 HydrophobicContact CD2-CD2 3.5Å; L590-L706 VanDerWaalsContact CD2-CD2 3.5Å; V671-L706 HydrophobicContact CG1-CD1 4.09Å; V671-L706 HydrophobicContact CG2-CD2 4.28Å; L675-L706 HydrophobicContact CD1-CD1 4.11Å; L675-L706 HydrophobicContact CD2-CD1 3.94Å; L675-L706 HydrophobicContact CG-CD1 4.29Å; L702-L706 HydrophobicContact CB-CD1 3.85Å; L702-L706 HydrophobicContact CB-CG 4.18Å; L702-L706 HydrophobicContact CD2-CD1 4.07Å; L702-L706 HydrophobicContact CD2-CD2 4.44Å; L702-L706 HydrophobicContact CD2-CG 4.17Å; L702-L706 HydrophobicContact CG-CD1 4.37Å; L702-L706 WeakPolarHBondContact O-CB 3.49Å; L702-L706 VanDerWaalsContact O-CG 3.22Å; L702-L706 WeakPolarHBondContact O-CG 3.44Å; L702-L706 PolarHBondContact O-N 3.38Å; L706-R708 PolarHBondContact O-N 2.77Å; L706-F709 HydrophobicContact CD2-CD2 4.36Å; L706-F709 PolarHBondContact O-N 3.01Å; L706-I716 HydrophobicContact CB-CD1 3.82Å; L706-I716 HydrophobicContact CB-CG1 4.37Å; L706-I716 HydrophobicContact CB-CG2 4.3Å; L706-I716 WeakPolarHBondContact O-CD1 3.24Å
707	W	84.2	Confident	85.3	Confident	81 Å²	81	27.8 Å²	27.8	31%	0.307	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-56.3	-28.1	-178.1	68.8	-91.8	0	0	0	113.2	L704 F705 F709 E713 I716	L704-W707 PolarHBondContact O-NE1 3.38Å; F705-W707 VanDerWaalsContact C-N 3.29Å; F705-W707 PolarHBondContact O-N 3.17Å; W707-F709 PolarHBondContact O-N 3.33Å; W707-E713 HydrophobicContact CB-CG 4.07Å; W707-I716 VanDerWaalsContact CA-CD1 3.42Å; W707-I716 HydrophobicContact CB-CD1 4.29Å
708	R	84.4	Confident	84.9	Confident	112 Å²	112	29.7 Å²	29.7	42%	0.423	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-66.6	-25.6	178.2	-59.3	170.2	69.1	115.5	-1.6	112.5	R606 L706	R606-R708 VanDerWaalsContact CZ-O 3.23Å; R606-R708 PolarHBondContact NE-O 2.55Å; R606-R708 PolarHBondContact NH2-O 3.23Å; L706-R708 PolarHBondContact O-N 2.77Å
709	F	87.2	Confident	84.6	Confident	6 Å²	6	30 Å²	30	3%	0.026	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-102.6	3.7	-172.6	-54.1	-69.2	0	0	0	113.2	L590 T591 D594 T667 T668 V671 L706 W707	L590-F709 HydrophobicContact CD2-CB 3.92Å; L590-F709 HydrophobicContact CD2-CD1 4.31Å; L590-F709 HydrophobicContact CD2-CD2 3.3Å; L590-F709 HydrophobicContact CD2-CE2 3.82Å; L590-F709 HydrophobicContact CD2-CG 3.59Å; L590-F709 HydrophobicContact CG-CB 4.38Å; L590-F709 HydrophobicContact CG-CD1 4.07Å; L590-F709 HydrophobicContact CG-CD2 3.89Å; L590-F709 HydrophobicContact CG-CE1 4.32Å; L590-F709 HydrophobicContact CG-CE2 4.14Å; L590-F709 HydrophobicContact CG-CG 3.85Å; L590-F709 HydrophobicContact CG-CZ 4.35Å; T591-F709 WeakPolarHBondContact OG1-CZ 3.45Å; D594-F709 HydrophobicContact CB-CD1 3.89Å; D594-F709 HydrophobicContact CB-CE1 3.66Å; T667-F709 CarbonylContact C-O 3.53Å; T667-F709 WeakPolarHBondContact CB-O 3.26Å; T667-F709 PolarHBondContact OG1-O 3.2Å; T667-F709 VanDerWaalsContact OG1-O 3.05Å; T668-F709 PolarHBondContact N-O 2.91Å; V671-F709 HydrophobicContact CG2-CB 4.18Å; L706-F709 HydrophobicContact CD2-CD2 4.36Å; L706-F709 PolarHBondContact O-N 3.01Å; W707-F709 PolarHBondContact O-N 3.33Å
710	V	85.2	Confident	84.5	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	15%	0.146	C	C	.	.			trans	-125.6	139.8	-172.8	-178.7	0	0	0	0	111.3	T668 V671 D712 L715 I716	T668-V710 HydrophobicContact CG2-CG1 3.93Å; T668-V710 VanDerWaalsContact OG1-CA 3.29Å; T668-V710 WeakPolarHBondContact OG1-CA 3.46Å; V671-V710 HydrophobicContact CB-CG2 3.96Å; V671-V710 HydrophobicContact CG1-CG2 3.76Å; V671-V710 HydrophobicContact CG2-CG2 4.13Å; V710-D712 VanDerWaalsContact C-N 3.33Å; V710-D712 VanDerWaalsContact CG1-O 3.29Å; V710-D712 WeakPolarHBondContact CG1-O 3.26Å; V710-D712 PolarHBondContact O-N 3.27Å; V710-L715 HydrophobicContact CG1-CB 4.35Å; V710-L715 HydrophobicContact CG1-CD2 3.96Å; V710-I716 HydrophobicContact CB-CD1 3.68Å; V710-I716 HydrophobicContact CB-CG1 4.1Å; V710-I716 HydrophobicContact CG1-CD1 4.28Å; V710-I716 HydrophobicContact CG1-CG1 4.25Å; V710-I716 HydrophobicContact CG2-CD1 3.56Å; V710-I716 HydrophobicContact CG2-CG1 3.77Å
711	V	83	Confident	84.4	Confident	42 Å²	42	31.1 Å²	31.1	26%	0.255	15%	0.151	S	C	.	.	S	Bend	trans	-60.6	-41.6	177.8	175.6	0	0	0	0	112.2	K607 I664 T668	K607-V711 PolarHBondContact N-O 3.26Å; K607-V711 VanDerWaalsContact N-O 3.09Å; I664-V711 HydrophobicContact CB-CG2 4.34Å; I664-V711 HydrophobicContact CD1-CG2 4.21Å; I664-V711 HydrophobicContact CG1-CG2 3.81Å; I664-V711 HydrophobicContact CG2-CG2 3.8Å; T668-V711 PolarHBondContact OG1-N 3.12Å
712	D	80.3	Confident	84.2	Confident	36 Å²	36	32.9 Å²	32.9	19%	0.193	16%	0.16	C	C	.	.			trans	-127.4	112.6	-175.7	-165.6	-30.3	0	0	0	110.8	K607 V710 S714 L715	K607-D712 HydrophobicContact CD-CB 4.36Å; K607-D712 IonicContact NZ-OD2 2.9Å; K607-D712 PolarHBondContact NZ-OD2 3.06Å; V710-D712 VanDerWaalsContact C-N 3.33Å; V710-D712 VanDerWaalsContact CG1-O 3.29Å; V710-D712 WeakPolarHBondContact CG1-O 3.26Å; V710-D712 PolarHBondContact O-N 3.27Å; D712-S714 PolarHBondContact O-N 3.02Å; D712-S714 VanDerWaalsContact OD1-CB 3.29Å; D712-S714 WeakPolarHBondContact OD1-CB 3.44Å; D712-S714 PolarHBondContact OD1-N 3.38Å; D712-S714 PolarHBondContact OD1-OG 3.27Å; D712-L715 WeakPolarHBondContact O-CB 3.36Å; D712-L715 PolarHBondContact O-N 3.43Å; D712-L715 VanDerWaalsContact O-N 3.15Å
713	E	79.6	Confident	84.2	Confident	53 Å²	53	32.8 Å²	32.8	25%	0.248	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-27.8	-179.4	-59.6	-172.9	173.7	0	0	112.6	W707 L715 I716 L717	W707-E713 HydrophobicContact CB-CG 4.07Å; E713-L715 PolarHBondContact O-N 3.32Å; E713-I716 PolarHBondContact O-N 2.96Å; E713-I716 VanDerWaalsContact O-N 3.15Å; E713-L717 WeakPolarHBondContact O-CG 3.34Å; E713-L717 PolarHBondContact O-N 3.17Å; E713-L717 VanDerWaalsContact O-N 3.16Å
714	S	77.9	Confident	84.3	Confident	50 Å²	50	31.7 Å²	31.7	35%	0.35	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-29.2	179.5	69.1	0	0	0	0	112.7	D712 I716 L717 N718	D712-S714 PolarHBondContact O-N 3.02Å; D712-S714 VanDerWaalsContact OD1-CB 3.29Å; D712-S714 WeakPolarHBondContact OD1-CB 3.44Å; D712-S714 PolarHBondContact OD1-N 3.38Å; D712-S714 PolarHBondContact OD1-OG 3.27Å; S714-I716 VanDerWaalsContact C-N 3.35Å; S714-I716 PolarHBondContact O-N 3.09Å; S714-L717 PolarHBondContact O-N 2.98Å; S714-N718 WeakPolarHBondContact O-CB 3.49Å; S714-N718 PolarHBondContact O-N 3.34Å; S714-N718 PolarHBondContact O-ND2 2.63Å
715	L	80.9	Confident	84.5	Confident	26 Å²	26	31.2 Å²	31.2	14%	0.136	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-45.6	175.2	179.4	69.5	0	0	0	111.1	V653 T668 V710 D712 E713 L719	V653-L715 HydrophobicContact CG1-CD1 3.57Å; V653-L715 HydrophobicContact CG2-CD1 4.5Å; T668-L715 HydrophobicContact CG2-CD2 4.03Å; V710-L715 HydrophobicContact CG1-CB 4.35Å; V710-L715 HydrophobicContact CG1-CD2 3.96Å; D712-L715 WeakPolarHBondContact O-CB 3.36Å; D712-L715 PolarHBondContact O-N 3.43Å; D712-L715 VanDerWaalsContact O-N 3.15Å; E713-L715 PolarHBondContact O-N 3.32Å; L715-L719 HydrophobicContact CD1-CD1 4Å; L715-L719 HydrophobicContact CD1-CG 4.49Å; L715-L719 HydrophobicContact CG-CD1 4.08Å; L715-L719 WeakPolarHBondContact O-CB 3.39Å; L715-L719 WeakPolarHBondContact O-CG 3.42Å; L715-L719 PolarHBondContact O-N 3.17Å; L715-L719 VanDerWaalsContact O-N 3.07Å
716	I	82	Confident	84.6	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-46.5	179.2	-63.6	163.1	0	0	0	109.6	L706 W707 V710 E713 S714 N718 L719 L720	L706-I716 HydrophobicContact CB-CD1 3.82Å; L706-I716 HydrophobicContact CB-CG1 4.37Å; L706-I716 HydrophobicContact CB-CG2 4.3Å; L706-I716 WeakPolarHBondContact O-CD1 3.24Å; W707-I716 VanDerWaalsContact CA-CD1 3.42Å; W707-I716 HydrophobicContact CB-CD1 4.29Å; V710-I716 HydrophobicContact CB-CD1 3.68Å; V710-I716 HydrophobicContact CB-CG1 4.1Å; V710-I716 HydrophobicContact CG1-CD1 4.28Å; V710-I716 HydrophobicContact CG1-CG1 4.25Å; V710-I716 HydrophobicContact CG2-CD1 3.56Å; V710-I716 HydrophobicContact CG2-CG1 3.77Å; E713-I716 PolarHBondContact O-N 2.96Å; E713-I716 VanDerWaalsContact O-N 3.15Å; S714-I716 VanDerWaalsContact C-N 3.35Å; S714-I716 PolarHBondContact O-N 3.09Å; I716-N718 PolarHBondContact O-N 3.44Å; I716-L719 PolarHBondContact O-N 2.95Å; I716-L720 HydrophobicContact CG2-CD1 3.48Å; I716-L720 VanDerWaalsContact CG2-CD1 3.48Å; I716-L720 HydrophobicContact CG2-CG 4.12Å; I716-L720 WeakPolarHBondContact O-CB 3.38Å; I716-L720 WeakPolarHBondContact O-CG 3.46Å; I716-L720 PolarHBondContact O-N 3.25Å
717	L	80.6	Confident	84.7	Confident	38 Å²	38	30.2 Å²	30.2	20%	0.199	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-49.9	179.6	-64.7	175.2	0	0	0	110.9	Q703 E713 S714 D721	Q703-L717 HydrophobicContact CG-CD2 3.98Å; E713-L717 WeakPolarHBondContact O-CG 3.34Å; E713-L717 PolarHBondContact O-N 3.17Å; E713-L717 VanDerWaalsContact O-N 3.16Å; S714-L717 PolarHBondContact O-N 2.98Å; L717-D721 VanDerWaalsContact O-CB 3.24Å; L717-D721 WeakPolarHBondContact O-CB 3.38Å; L717-D721 PolarHBondContact O-N 3.08Å
718	N	83.1	Confident	85	Confident	39 Å²	39	27.2 Å²	27.2	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-46.9	-178.8	-69.6	-23.2	0	0	0	112.3	N650 S714 I716 D721 E722	N650-N718 PolarHBondContact ND2-OD1 2.76Å; S714-N718 WeakPolarHBondContact O-CB 3.49Å; S714-N718 PolarHBondContact O-N 3.34Å; S714-N718 PolarHBondContact O-ND2 2.63Å; I716-N718 PolarHBondContact O-N 3.44Å; N718-D721 PolarHBondContact O-N 3.27Å; N718-E722 WeakPolarHBondContact O-CG 3.36Å; N718-E722 PolarHBondContact O-N 3.36Å
719	L	86.2	Confident	85.2	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-40.8	-179.1	-73.4	172	0	0	0	112.2	L675 K676 L715 I716 E722 V723	L675-L719 HydrophobicContact CB-CB 4.23Å; L675-L719 HydrophobicContact CB-CD1 4.02Å; L675-L719 HydrophobicContact CD1-CB 4.12Å; L675-L719 HydrophobicContact CD1-CD1 4.15Å; K676-L719 HydrophobicContact CG-CD2 4.16Å; L715-L719 HydrophobicContact CD1-CD1 4Å; L715-L719 HydrophobicContact CD1-CG 4.49Å; L715-L719 HydrophobicContact CG-CD1 4.08Å; L715-L719 WeakPolarHBondContact O-CB 3.39Å; L715-L719 WeakPolarHBondContact O-CG 3.42Å; L715-L719 PolarHBondContact O-N 3.17Å; L715-L719 VanDerWaalsContact O-N 3.07Å; I716-L719 PolarHBondContact O-N 2.95Å; L719-E722 PolarHBondContact O-N 3.44Å; L719-V723 VanDerWaalsContact O-CG2 3.24Å; L719-V723 WeakPolarHBondContact O-CG2 3.44Å; L719-V723 PolarHBondContact O-N 3.11Å
720	L	88.5	Confident	85.4	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-70.9	-36	177.4	-68.7	177.3	0	0	0	112.1	L675 C699 L702 Q703 I716 E722 V723 V724	L675-L720 HydrophobicContact CD1-CG 4.49Å; L675-L720 HydrophobicContact CD2-CD2 3.69Å; L675-L720 HydrophobicContact CD2-CG 4.47Å; C699-L720 HydrophobicContact CB-CD2 4.28Å; C699-L720 WeakPolarHBondContact O-CD1 3.4Å; L702-L720 HydrophobicContact CB-CD1 4.18Å; L702-L720 HydrophobicContact CB-CD2 4.33Å; L702-L720 HydrophobicContact CD1-CD2 4.22Å; Q703-L720 HydrophobicContact CB-CD1 3.82Å; I716-L720 HydrophobicContact CG2-CD1 3.48Å; I716-L720 VanDerWaalsContact CG2-CD1 3.48Å; I716-L720 HydrophobicContact CG2-CG 4.12Å; I716-L720 WeakPolarHBondContact O-CB 3.38Å; I716-L720 WeakPolarHBondContact O-CG 3.46Å; I716-L720 PolarHBondContact O-N 3.25Å; L720-E722 VanDerWaalsContact C-N 3.3Å; L720-E722 PolarHBondContact O-N 3.14Å; L720-V723 WeakPolarHBondContact O-CB 3.4Å; L720-V723 PolarHBondContact O-N 3.22Å; L720-V724 PolarHBondContact O-N 3.41Å
721	D	84	Confident	85.7	Confident	30 Å²	30	33.8 Å²	33.8	16%	0.16	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-41.5	172	-80	-8.7	0	0	0	111	S625 W629 L717 N718 V724 S725	S625-D721 PolarHBondContact OG-OD1 3.23Å; S625-D721 VanDerWaalsContact OG-OD1 3.12Å; S625-D721 PolarHBondContact OG-OD2 2.88Å; W629-D721 WeakPolarHBondContact CZ2-OD1 3.26Å; W629-D721 PolarHBondContact NE1-OD1 2.89Å; L717-D721 VanDerWaalsContact O-CB 3.24Å; L717-D721 WeakPolarHBondContact O-CB 3.38Å; L717-D721 PolarHBondContact O-N 3.08Å; N718-D721 PolarHBondContact O-N 3.27Å; D721-V724 PolarHBondContact O-N 3.04Å; D721-S725 WeakPolarHBondContact O-CB 3.45Å; D721-S725 PolarHBondContact O-N 2.99Å
722	E	86.1	Confident	86.1	Confident	53 Å²	53	37 Å²	37	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-40	174	-76.2	-178.3	-174.2	0	0	112.5	L679 N718 L719 L720 S725 S726	L679-E722 HydrophobicContact CD1-CB 4.04Å; L679-E722 WeakPolarHBondContact CD1-O 3.44Å; L679-E722 HydrophobicContact CD2-CB 4.19Å; L679-E722 WeakPolarHBondContact CD2-OE2 3.09Å; N718-E722 WeakPolarHBondContact O-CG 3.36Å; N718-E722 PolarHBondContact O-N 3.36Å; L719-E722 PolarHBondContact O-N 3.44Å; L720-E722 VanDerWaalsContact C-N 3.3Å; L720-E722 PolarHBondContact O-N 3.14Å; E722-S725 PolarHBondContact O-N 3.25Å; E722-S726 VanDerWaalsContact O-CB 3.24Å; E722-S726 WeakPolarHBondContact O-CB 3.45Å; E722-S726 PolarHBondContact O-N 3.05Å
723	V	89.7	Confident	86.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-50.6	176.4	170.7	0	0	0	0	110.5	F678 L679 V682 L695 L719 L720 S726 A727	F678-V723 HydrophobicContact CD1-CG1 3.95Å; F678-V723 HydrophobicContact CD1-CG2 4.12Å; F678-V723 HydrophobicContact CE1-CG1 3.79Å; F678-V723 HydrophobicContact CZ-CG1 4.22Å; L679-V723 HydrophobicContact CB-CG2 3.83Å; L679-V723 HydrophobicContact CD1-CG2 4.12Å; V682-V723 HydrophobicContact CG2-CG1 4.05Å; L695-V723 HydrophobicContact CD2-CG1 4.01Å; L719-V723 VanDerWaalsContact O-CG2 3.24Å; L719-V723 WeakPolarHBondContact O-CG2 3.44Å; L719-V723 PolarHBondContact O-N 3.11Å; L720-V723 WeakPolarHBondContact O-CB 3.4Å; L720-V723 PolarHBondContact O-N 3.22Å; V723-S726 PolarHBondContact O-N 3.48Å; V723-A727 PolarHBondContact O-N 3.28Å
724	V	89.1	Confident	87	Confident	1 Å²	1	42 Å²	42	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-41.8	180	177.8	0	0	0	0	110.9	W629 C699 L720 D721 S726 A727 V728 L736	W629-V724 HydrophobicContact CD2-CB 4.14Å; W629-V724 HydrophobicContact CD2-CG1 3.73Å; W629-V724 HydrophobicContact CE3-CB 4.36Å; W629-V724 HydrophobicContact CE3-CG1 3.76Å; W629-V724 HydrophobicContact CE3-CG2 4.39Å; W629-V724 HydrophobicContact CG-CG1 4.22Å; W629-V724 HydrophobicContact CH2-CB 4.21Å; W629-V724 HydrophobicContact CH2-CG1 4.43Å; W629-V724 HydrophobicContact CH2-CG2 3.59Å; W629-V724 HydrophobicContact CZ2-CB 3.95Å; W629-V724 HydrophobicContact CZ2-CG1 4.39Å; W629-V724 HydrophobicContact CZ2-CG2 3.73Å; W629-V724 HydrophobicContact CZ3-CB 4.4Å; W629-V724 HydrophobicContact CZ3-CG1 4.12Å; W629-V724 HydrophobicContact CZ3-CG2 3.94Å; C699-V724 HydrophobicContact CB-CG2 3.77Å; L720-V724 PolarHBondContact O-N 3.41Å; D721-V724 PolarHBondContact O-N 3.04Å; V724-S726 VanDerWaalsContact C-N 3.33Å; V724-S726 PolarHBondContact O-N 2.89Å; V724-A727 WeakPolarHBondContact O-CB 3.38Å; V724-A727 PolarHBondContact O-N 3.22Å; V724-V728 HydrophobicContact CG1-CG2 4.35Å; V724-V728 VanDerWaalsContact O-CG2 3.31Å; V724-V728 WeakPolarHBondContact O-CG2 3.46Å; V724-V728 PolarHBondContact O-N 3.42Å; V724-L736 HydrophobicContact CG1-CD2 4.41Å
725	S	87.3	Confident	87.5	Confident	40 Å²	40	44.1 Å²	44.1	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-58.5	-44.2	175.6	-175.5	0	0	0	0	112	D721 E722 V728 Q729	D721-S725 WeakPolarHBondContact O-CB 3.45Å; D721-S725 PolarHBondContact O-N 2.99Å; E722-S725 PolarHBondContact O-N 3.25Å; S725-V728 PolarHBondContact O-N 3.16Å; S725-Q729 WeakPolarHBondContact O-CG 3.22Å; S725-Q729 PolarHBondContact O-N 3.29Å; S725-Q729 VanDerWaalsContact O-N 3.11Å
726	S	88.7	Confident	87.8	Confident	13 Å²	13	44.4 Å²	44.4	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-44.8	175.7	-172.9	0	0	0	0	111	E722 V723 V724 V728 Q729 R730	E722-S726 VanDerWaalsContact O-CB 3.24Å; E722-S726 WeakPolarHBondContact O-CB 3.45Å; E722-S726 PolarHBondContact O-N 3.05Å; V723-S726 PolarHBondContact O-N 3.48Å; V724-S726 VanDerWaalsContact C-N 3.33Å; V724-S726 PolarHBondContact O-N 2.89Å; S726-V728 PolarHBondContact O-N 3Å; S726-Q729 PolarHBondContact O-N 2.95Å; S726-R730 VanDerWaalsContact O-CG 3.22Å; S726-R730 WeakPolarHBondContact O-CG 3.33Å; S726-R730 PolarHBondContact O-N 3.33Å; S726-R730 VanDerWaalsContact O-N 3.15Å
727	A	90.4	Very high	88.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-40.3	177.4	0	0	0	0	0	113.3	V682 Y687 L692 L695 V723 V724 Q729 R730 C731	V682-A727 HydrophobicContact CG1-CB 3.71Å; Y687-A727 HydrophobicContact CD2-CB 4.39Å; Y687-A727 HydrophobicContact CE2-CB 4.36Å; L692-A727 HydrophobicContact CD1-CB 3.62Å; L695-A727 HydrophobicContact CD2-CB 3.2Å; V723-A727 PolarHBondContact O-N 3.28Å; V724-A727 WeakPolarHBondContact O-CB 3.38Å; V724-A727 PolarHBondContact O-N 3.22Å; A727-Q729 VanDerWaalsContact C-N 3.33Å; A727-Q729 PolarHBondContact O-N 3.15Å; A727-R730 CarbonylContact O-C 3.24Å; A727-R730 PolarHBondContact O-N 2.88Å; A727-R730 VanDerWaalsContact O-N 3.11Å; A727-C731 WeakPolarHBondContact O-CB 3.47Å; A727-C731 PolarHBondContact O-N 3.24Å
728	V	90.5	Very high	88.3	Confident	18 Å²	18	49.8 Å²	49.8	11%	0.109	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-43.4	175.7	171.8	0	0	0	0	110.7	V631 L692 V724 S725 S726 R730 C731 P734 L736	V631-V728 HydrophobicContact CG2-CG1 3.74Å; L692-V728 HydrophobicContact CD1-CG2 3.89Å; L692-V728 HydrophobicContact CD2-CG2 4.09Å; V724-V728 HydrophobicContact CG1-CG2 4.35Å; V724-V728 VanDerWaalsContact O-CG2 3.31Å; V724-V728 WeakPolarHBondContact O-CG2 3.46Å; V724-V728 PolarHBondContact O-N 3.42Å; S725-V728 PolarHBondContact O-N 3.16Å; S726-V728 PolarHBondContact O-N 3Å; V728-R730 PolarHBondContact O-N 3.05Å; V728-C731 PolarHBondContact O-N 2.91Å; V728-P734 HydrophobicContact CG1-CB 4.03Å; V728-L736 HydrophobicContact CG2-CD2 4.08Å
729	Q	89.7	Confident	88.1	Confident	135 Å²	135	50.1 Å²	50.1	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-65.7	-22.3	176.8	-69.5	-178.4	-10.4	0	0	113.4	S725 S726 A727	S725-Q729 WeakPolarHBondContact O-CG 3.22Å; S725-Q729 PolarHBondContact O-N 3.29Å; S725-Q729 VanDerWaalsContact O-N 3.11Å; S726-Q729 PolarHBondContact O-N 2.95Å; A727-Q729 VanDerWaalsContact C-N 3.33Å; A727-Q729 PolarHBondContact O-N 3.15Å
730	R	90.1	Very high	87.9	Confident	107 Å²	107	54.6 Å²	54.6	40%	0.404	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.1	-178.5	-61.6	-65.1	-65.9	165.8	-4.1	113	R683 R685 T686 Y687 S726 A727 V728	R683-R730 PolarHBondContact O-NE 2.93Å; R685-R730 WeakPolarHBondContact O-CB 3.46Å; R685-R730 PolarHBondContact O-NE 3.05Å; R685-R730 PolarHBondContact O-NH2 3.24Å; T686-R730 WeakPolarHBondContact CA-O 3.5Å; Y687-R730 HydrophobicContact CD2-CB 4.01Å; Y687-R730 HydrophobicContact CE2-CB 4.37Å; Y687-R730 PolarHBondContact N-O 3Å; S726-R730 VanDerWaalsContact O-CG 3.22Å; S726-R730 WeakPolarHBondContact O-CG 3.33Å; S726-R730 PolarHBondContact O-N 3.33Å; S726-R730 VanDerWaalsContact O-N 3.15Å; A727-R730 CarbonylContact O-C 3.24Å; A727-R730 PolarHBondContact O-N 2.88Å; A727-R730 VanDerWaalsContact O-N 3.11Å; V728-R730 PolarHBondContact O-N 3.05Å
731	C	92.2	Very high	87.7	Confident	15 Å²	15	58 Å²	58	10%	0.101	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-93.3	136.3	-179.9	-170.8	0	0	0	0	111.2	Y687 S688 L692 A727 V728 E733 P734	Y687-C731 VanDerWaalsContact O-CA 3.25Å; Y687-C731 WeakPolarHBondContact O-CA 3.33Å; Y687-C731 PolarHBondContact O-SG 3.46Å; S688-C731 VanDerWaalsContact C-SG 3.58Å; S688-C731 PolarHBondContact O-SG 3.33Å; L692-C731 HydrophobicContact CB-CB 4.41Å; L692-C731 HydrophobicContact CD2-CB 4.03Å; A727-C731 WeakPolarHBondContact O-CB 3.47Å; A727-C731 PolarHBondContact O-N 3.24Å; V728-C731 PolarHBondContact O-N 2.91Å; C731-E733 VanDerWaalsContact SG-C 3.58Å; C731-E733 PolarHBondContact SG-O 3.48Å; C731-P734 HydrophobicContact CB-CB 4.2Å
732	V	90.7	Very high	87.6	Confident	111 Å²	111	56.6 Å²	56.6	67%	0.673	30%	0.296	S	S	*	.	S	Bend	trans	-70	-38.5	179	179	0	0	0	0	111.8	M571 Y687	M571-V732 HydrophobicContact CE-CG2 3.78Å; M571-V732 HydrophobicContact SD-CG2 4.3Å; Y687-V732 PolarHBondContact O-N 3Å
733	E	89.6	Confident	87.4	Confident	122 Å²	122	55.1 Å²	55.1	57%	0.57	29%	0.291	S	S	*	.	S	Bend	trans	-133	82.9	178	-171.7	-173.8	176.6	0	0	108.5	C731 Q735	C731-E733 VanDerWaalsContact SG-C 3.58Å; C731-E733 PolarHBondContact SG-O 3.48Å; E733-Q735 PolarHBondContact O-N 2.93Å
734	P	89.5	Confident	87.1	Confident	72 Å²	72	58.9 Å²	58.9	47%	0.468	31%	0.311	S	S	.	.			trans	-70.2	102.8	-173.8	26.7	-33	0	0	0	110.7	L692 V728 C731	L692-P734 HydrophobicContact CD2-CB 4.27Å; V728-P734 HydrophobicContact CG1-CB 4.03Å; C731-P734 HydrophobicContact CB-CB 4.2Å
735	Q	88.7	Confident	86.8	Confident	93 Å²	93	59.5 Å²	59.5	44%	0.435	32%	0.315	S	S	.	.			trans	-132.3	107.2	169.8	-174.4	178.5	11.4	0	0	110.2	K689 Q693 E733	K689-Q735 HydrophobicContact CD-CB 4.09Å; K689-Q735 HydrophobicContact CG-CB 4.15Å; Q693-Q735 WeakPolarHBondContact CG-O 3.47Å; Q693-Q735 PolarHBondContact NE2-O 3.29Å; E733-Q735 PolarHBondContact O-N 2.93Å
736	L	88.1	Confident	86.6	Confident	33 Å²	33	57.7 Å²	57.7	17%	0.173	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.2	151.7	175.4	-64.7	176.4	0	0	0	111.5	W629 L692 V724 V728	W629-L736 HydrophobicContact CB-CD1 3.66Å; W629-L736 WeakPolarHBondContact O-CD1 3.42Å; L692-L736 HydrophobicContact CD1-CD2 4.27Å; L692-L736 HydrophobicContact CD2-CD2 3.95Å; L692-L736 HydrophobicContact CG-CD2 4.01Å; V724-L736 HydrophobicContact CG1-CD2 4.41Å; V728-L736 HydrophobicContact CG2-CD2 4.08Å
737	M	87	Confident	86.1	Confident	13 Å²	13	64.1 Å²	64.1	6%	0.064	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-77.8	147.8	172.5	-175.3	173.7	-77.7	0	0	109.9	P576 Q693 Q696 I697 L741 V742	P576-M737 HydrophobicContact CG-CE 3.76Å; Q693-M737 HydrophobicContact CB-CB 4.37Å; Q693-M737 HydrophobicContact CB-CE 4.3Å; Q693-M737 HydrophobicContact CG-CB 4.03Å; Q696-M737 PolarHBondContact NE2-O 3.14Å; I697-M737 HydrophobicContact CD1-CE 4.26Å; I697-M737 HydrophobicContact CD1-SD 3.94Å; I697-M737 HydrophobicContact CG1-SD 4.39Å; M737-L741 HydrophobicContact CE-CD2 4.03Å; M737-L741 HydrophobicContact CG-CB 4.09Å; M737-L741 HydrophobicContact CG-CD2 3.8Å; M737-L741 HydrophobicContact CG-CG 4.19Å; M737-L741 HydrophobicContact SD-CB 4.18Å; M737-L741 HydrophobicContact SD-CD2 3.63Å; M737-L741 HydrophobicContact SD-CG 3.77Å; M737-V742 HydrophobicContact CB-CG2 3.8Å; M737-V742 HydrophobicContact CG-CG2 3.8Å; M737-V742 HydrophobicContact SD-CG2 3.88Å
738	E	85.2	Confident	85.5	Confident	141 Å²	141	74 Å²	74	66%	0.659	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-60.5	136.4	175.4	-72.6	-154.1	162.5	0	0	111.3	T740 L741 V742	E738-T740 VanDerWaalsContact C-N 3.28Å; E738-T740 PolarHBondContact O-N 2.99Å; E738-L741 WeakPolarHBondContact O-CB 3.37Å; E738-L741 PolarHBondContact O-N 3.43Å; E738-V742 PolarHBondContact O-N 3.32Å; E738-V742 VanDerWaalsContact O-N 3.12Å
739	P	79.4	Confident	84.8	Confident	47 Å²	47	77.6 Å²	77.6	31%	0.305	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-35.9	-174.8	19.1	-30.9	0	0	0	113.9	Y622 L626 L741 V742 S743	Y622-P739 HydrophobicContact CD1-CB 4.18Å; Y622-P739 HydrophobicContact CE1-CB 3.54Å; L626-P739 HydrophobicContact CD1-CB 4.37Å; L626-P739 HydrophobicContact CD2-CB 3.43Å; L626-P739 VanDerWaalsContact CD2-CB 3.43Å; L626-P739 HydrophobicContact CD2-CG 3.34Å; L626-P739 HydrophobicContact CG-CB 4.48Å; P739-L741 VanDerWaalsContact C-N 3.29Å; P739-L741 PolarHBondContact O-N 3.47Å; P739-V742 PolarHBondContact O-N 3.47Å; P739-S743 PolarHBondContact O-N 3.04Å; P739-S743 PolarHBondContact O-OG 2.83Å
740	T	81.6	Confident	84.5	Confident	99 Å²	99	74.7 Å²	74.7	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-39.5	177.3	47.7	0	0	0	0	111.6	E738 L744	E738-T740 VanDerWaalsContact C-N 3.28Å; E738-T740 PolarHBondContact O-N 2.99Å; T740-L744 WeakPolarHBondContact O-CB 3.32Å; T740-L744 PolarHBondContact O-N 3.09Å
741	L	83.7	Confident	84.2	Confident	75 Å²	75	73 Å²	73	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-71.4	-40	177.1	-172.1	62.8	0	0	0	111.1	M737 E738 P739 L744 V745	M737-L741 HydrophobicContact CE-CD2 4.03Å; M737-L741 HydrophobicContact CG-CB 4.09Å; M737-L741 HydrophobicContact CG-CD2 3.8Å; M737-L741 HydrophobicContact CG-CG 4.19Å; M737-L741 HydrophobicContact SD-CB 4.18Å; M737-L741 HydrophobicContact SD-CD2 3.63Å; M737-L741 HydrophobicContact SD-CG 3.77Å; E738-L741 WeakPolarHBondContact O-CB 3.37Å; E738-L741 PolarHBondContact O-N 3.43Å; P739-L741 VanDerWaalsContact C-N 3.29Å; P739-L741 PolarHBondContact O-N 3.47Å; L741-L744 HydrophobicContact CD1-CD2 4.43Å; L741-L744 PolarHBondContact O-N 2.99Å; L741-V745 WeakPolarHBondContact O-CG2 3.35Å; L741-V745 PolarHBondContact O-N 2.99Å
742	V	83.3	Confident	83.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-47.8	176.1	176.7	0	0	0	0	111.2	Q696 I697 H700 M737 E738 P739 V745 C746	Q696-V742 HydrophobicContact CG-CG2 4.29Å; I697-V742 HydrophobicContact CG1-CG1 4.12Å; I697-V742 HydrophobicContact CG1-CG2 4.25Å; H700-V742 HydrophobicContact CB-CG1 3.61Å; M737-V742 HydrophobicContact CB-CG2 3.8Å; M737-V742 HydrophobicContact CG-CG2 3.8Å; M737-V742 HydrophobicContact SD-CG2 3.88Å; E738-V742 PolarHBondContact O-N 3.32Å; E738-V742 VanDerWaalsContact O-N 3.12Å; P739-V742 PolarHBondContact O-N 3.47Å; V742-V745 PolarHBondContact O-N 3.31Å; V742-C746 PolarHBondContact O-N 3.36Å; V742-C746 PolarHBondContact O-SG 3.49Å
743	S	81.4	Confident	83.4	Confident	22 Å²	22	74.2 Å²	74.2	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-41.8	176.3	-60.6	0	0	0	0	111.6	H700 P739 V745 C746 E747	H700-S743 PolarHBondContact NE2-OG 2.94Å; H700-S743 VanDerWaalsContact NE2-OG 3.08Å; P739-S743 PolarHBondContact O-N 3.04Å; P739-S743 PolarHBondContact O-OG 2.83Å; S743-V745 VanDerWaalsContact C-N 3.33Å; S743-V745 PolarHBondContact O-N 3.03Å; S743-C746 PolarHBondContact O-N 3.2Å; S743-C746 VanDerWaalsContact O-N 3.17Å; S743-E747 WeakPolarHBondContact O-CB 3.45Å; S743-E747 WeakPolarHBondContact O-CG 3.38Å; S743-E747 PolarHBondContact O-N 3.38Å
744	L	82	Confident	83	Confident	79 Å²	79	71.2 Å²	71.2	41%	0.414	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-40.4	176.3	-169.9	83.8	0	0	0	112.6	T740 L741 R748	T740-L744 WeakPolarHBondContact O-CB 3.32Å; T740-L744 PolarHBondContact O-N 3.09Å; L741-L744 HydrophobicContact CD1-CD2 4.43Å; L741-L744 PolarHBondContact O-N 2.99Å; L744-R748 WeakPolarHBondContact O-CG 3.25Å; L744-R748 PolarHBondContact O-N 3.47Å
745	V	83.2	Confident	82.5	Confident	15 Å²	15	71.1 Å²	71.1	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-41.4	176.5	170.7	0	0	0	0	110.7	I697 L741 V742 S743 E749	I697-V745 HydrophobicContact CD1-CG1 4.31Å; I697-V745 HydrophobicContact CG2-CG1 3.91Å; L741-V745 WeakPolarHBondContact O-CG2 3.35Å; L741-V745 PolarHBondContact O-N 2.99Å; V742-V745 PolarHBondContact O-N 3.31Å; S743-V745 VanDerWaalsContact C-N 3.33Å; S743-V745 PolarHBondContact O-N 3.03Å; V745-E749 WeakPolarHBondContact O-CG 3.4Å
746	C	83.1	Confident	82.1	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-74.7	-33.8	-179.8	-62.3	0	0	0	0	113.3	Y701 L704 V742 S743 R748 E749	Y701-C746 HydrophobicContact CD2-CB 4.44Å; L704-C746 HydrophobicContact CD1-CB 3.79Å; V742-C746 PolarHBondContact O-N 3.36Å; V742-C746 PolarHBondContact O-SG 3.49Å; S743-C746 PolarHBondContact O-N 3.2Å; S743-C746 VanDerWaalsContact O-N 3.17Å; C746-R748 VanDerWaalsContact C-N 3.3Å; C746-R748 PolarHBondContact O-N 3.26Å; C746-E749 PolarHBondContact O-N 3.01Å; C746-E749 VanDerWaalsContact O-OXT 3.04Å
747	E	79.2	Confident	81.6	Confident	148 Å²	148	72.4 Å²	72.4	69%	0.692	35%	0.354	S	S	*	.	H	α-helix	trans	-72.1	-23.2	177.8	-76.7	178.9	178.4	0	0	113.3	S743 E749	S743-E747 WeakPolarHBondContact O-CB 3.45Å; S743-E747 WeakPolarHBondContact O-CG 3.38Å; S743-E747 PolarHBondContact O-N 3.38Å; E747-E749 VanDerWaalsContact C-N 3.28Å
748	R	78.3	Confident	81.2	Confident	206 Å²	206	77.3 Å²	77.3	78%	0.777	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.2	175.3	-83.2	-179.2	174	-173.4	-0.3	113.5	L744 C746	L744-R748 WeakPolarHBondContact O-CG 3.25Å; L744-R748 PolarHBondContact O-N 3.47Å; C746-R748 VanDerWaalsContact C-N 3.3Å; C746-R748 PolarHBondContact O-N 3.26Å
749	E	74.1	Confident	80.8	Confident	94 Å²	94	71.5 Å²	71.5	44%	0.439	35%	0.353	S	S	.	.			trans	-104.2	0	-174.6	-66.4	-83.8	-143.8	0	0	110	T578 V579 K584 Y701 V745 C746 E747	T578-E749 VanDerWaalsContact CB-OE1 3.26Å; T578-E749 WeakPolarHBondContact CB-OE1 3.22Å; T578-E749 WeakPolarHBondContact CG2-OE1 3.47Å; V579-E749 HydrophobicContact CG2-CG 4.34Å; K584-E749 WeakPolarHBondContact CE-OE2 3.3Å; K584-E749 IonicContact NZ-OE1 2.77Å; K584-E749 PolarHBondContact NZ-OE1 3.07Å; K584-E749 IonicContact NZ-OE2 2.55Å; K584-E749 PolarHBondContact NZ-OE2 2.91Å; Y701-E749 HydrophobicContact CE2-CB 4.28Å; V745-E749 WeakPolarHBondContact O-CG 3.4Å; C746-E749 PolarHBondContact O-N 3.01Å; C746-E749 VanDerWaalsContact O-OXT 3.04Å; E747-E749 VanDerWaalsContact C-N 3.28Å

Retrieved 749 of 749 residues in 1410.2 ms (Link to these results)

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