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Outer membrane protein assembly factor BamD

Part of the outer membrane protein assembly complex (Bam), which is involved in assembly and insertion of beta-barrel proteins into the outer membrane. Constitutes, with BamA, the core component of the assembly machinery. Probably involved in transient protein interactions. Efficient substrate folding and insertion into the outer membrane requires all 5 subunits^1,2,3. A lateral gate may open between the first and last strands of the BamA beta-barrel that allows substrate to insert into the outer membrane; comparison of the structures of complete and nearly complete Bam complexes show there is considerable movement of all 5 proteins^4,5,6,7.

AlphaFold DB , UniProt , Accession P0AC02, Species ECOLI (Escherichia coli (strain K12)), Gene bamD, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.8	Low	76	Confident	205 Å²	205	120.3 Å²	120.3	100%	1.01	62%	0.618	S	S	*	*				0	-28.7	0	-63	-177.3	-159.9	0	0	113.8
2	T	70.2	Confident	76.3	Confident	92 Å²	92	115.8 Å²	115.8	56%	0.564	60%	0.6	S	S	*	*	H	α-helix	trans	-65.9	-41	179	13	0	0	0	0	114.1	M4 K5 Y6	T2-M4 VanDerWaalsContact C-N 3.3Å; T2-M4 PolarHBondContact O-N 3.3Å; T2-K5 PolarHBondContact O-N 3.23Å; T2-Y6 HydrophobicContact CG2-CE2 4.33Å; T2-Y6 WeakPolarHBondContact O-CD2 3.44Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å; T2-Y6 PolarHBondContact O-N 3.43Å
3	R	69.6	Low	76.3	Confident	217 Å²	217	115.2 Å²	115.2	82%	0.819	60%	0.598	S	S	*	*	H	α-helix	trans	-60.8	-33.3	178.7	-72.1	-165.8	175.1	-164.1	-0.7	114.2	L7	R3-L7 PolarHBondContact O-N 3.38Å
4	M	73.5	Confident	76.2	Confident	130 Å²	130	112.1 Å²	112.1	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-70.6	-35.6	177.8	-165.1	68.7	83.1	0	0	112	T2 Y6 L7 V8	T2-M4 VanDerWaalsContact C-N 3.3Å; T2-M4 PolarHBondContact O-N 3.3Å; M4-Y6 VanDerWaalsContact C-N 3.34Å; M4-Y6 PolarHBondContact O-N 3.25Å; M4-L7 PolarHBondContact O-N 2.85Å; M4-V8 WeakPolarHBondContact O-CG2 3.35Å; M4-V8 PolarHBondContact O-N 3.04Å; M4-V8 VanDerWaalsContact O-N 3.1Å
5	K	77.9	Confident	76	Confident	150 Å²	150	113.9 Å²	113.9	65%	0.652	60%	0.6	S	S	*	*	H	α-helix	trans	-63.5	-39.8	177.3	-65.7	-177	176	-173.9	0	111.9	T2 A9	T2-K5 PolarHBondContact O-N 3.23Å; K5-A9 WeakPolarHBondContact O-CB 3.49Å; K5-A9 PolarHBondContact O-N 3.11Å
6	Y	80.5	Confident	75.5	Confident	163 Å²	163	116.6 Å²	116.6	64%	0.639	61%	0.606	S	S	*	*	H	α-helix	trans	-68.9	-36.1	177.6	-62.6	-65	0	0	0	112.7	T2 M4 A9 A10	T2-Y6 HydrophobicContact CG2-CE2 4.33Å; T2-Y6 WeakPolarHBondContact O-CD2 3.44Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å; T2-Y6 PolarHBondContact O-N 3.43Å; M4-Y6 VanDerWaalsContact C-N 3.34Å; M4-Y6 PolarHBondContact O-N 3.25Å; Y6-A9 PolarHBondContact O-N 3.26Å; Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.46Å; Y6-A10 PolarHBondContact O-N 3.32Å
7	L	77.6	Confident	74.8	Confident	119 Å²	119	117.2 Å²	117.2	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-66.6	-42.4	175.8	-74.4	169.8	0	0	0	112.2	R3 M4 A10 A11	R3-L7 PolarHBondContact O-N 3.38Å; M4-L7 PolarHBondContact O-N 2.85Å; L7-A10 PolarHBondContact O-N 3.1Å; L7-A11 WeakPolarHBondContact O-CB 3.35Å; L7-A11 PolarHBondContact O-N 3.23Å
8	V	81.8	Confident	74.2	Confident	87 Å²	87	115.7 Å²	115.7	53%	0.527	62%	0.616	S	S	.	*	H	α-helix	trans	-66.7	-43.1	175.7	175.8	0	0	0	0	111	M4 A10 A11 T12	M4-V8 WeakPolarHBondContact O-CG2 3.35Å; M4-V8 PolarHBondContact O-N 3.04Å; M4-V8 VanDerWaalsContact O-N 3.1Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.05Å; V8-A11 PolarHBondContact O-N 3.37Å; V8-T12 WeakPolarHBondContact O-CB 3.46Å; V8-T12 PolarHBondContact O-N 3.42Å; V8-T12 PolarHBondContact O-OG1 2.94Å
9	A	81.1	Confident	73.6	Confident	57 Å²	57	113.1 Å²	113.1	47%	0.471	62%	0.62	S	S	.	*	H	α-helix	trans	-62.4	-41.6	176.5	0	0	0	0	0	111.9	K5 Y6 T12 L13	K5-A9 WeakPolarHBondContact O-CB 3.49Å; K5-A9 PolarHBondContact O-N 3.11Å; Y6-A9 PolarHBondContact O-N 3.26Å; A9-T12 PolarHBondContact O-N 2.88Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.42Å
10	A	81.3	Confident	72.9	Confident	51 Å²	51	113.5 Å²	113.5	42%	0.421	63%	0.63	S	S	.	*	H	α-helix	trans	-63.6	-48.1	175.5	0	0	0	0	0	111.7	Y6 L7 V8 T12 L13 S14	Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.46Å; Y6-A10 PolarHBondContact O-N 3.32Å; L7-A10 PolarHBondContact O-N 3.1Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.05Å; A10-T12 VanDerWaalsContact C-N 3.33Å; A10-T12 PolarHBondContact O-N 3.01Å; A10-L13 PolarHBondContact O-N 3.02Å; A10-S14 PolarHBondContact O-N 3.09Å; A10-S14 PolarHBondContact O-OG 3.31Å
11	A	80.7	Confident	71.8	Confident	52 Å²	52	113.8 Å²	113.8	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-60	-42.1	177.6	0	0	0	0	0	112.4	L7 V8 S14 L15	L7-A11 WeakPolarHBondContact O-CB 3.35Å; L7-A11 PolarHBondContact O-N 3.23Å; V8-A11 PolarHBondContact O-N 3.37Å; A11-S14 PolarHBondContact O-N 3.26Å; A11-L15 WeakPolarHBondContact O-CD1 3.26Å; A11-L15 PolarHBondContact O-N 3.25Å; A11-L15 VanDerWaalsContact O-N 3.09Å
12	T	79.4	Confident	71.4	Confident	66 Å²	66	107.1 Å²	107.1	41%	0.405	62%	0.624	S	S	.	*	H	α-helix	trans	-64.3	-42.8	176.9	-41.3	0	0	0	0	111	V8 A9 A10 L15 F16	V8-T12 WeakPolarHBondContact O-CB 3.46Å; V8-T12 PolarHBondContact O-N 3.42Å; V8-T12 PolarHBondContact O-OG1 2.94Å; A9-T12 PolarHBondContact O-N 2.88Å; A10-T12 VanDerWaalsContact C-N 3.33Å; A10-T12 PolarHBondContact O-N 3.01Å; T12-L15 WeakPolarHBondContact O-CB 3.49Å; T12-L15 PolarHBondContact O-N 3.01Å; T12-F16 HydrophobicContact CG2-CD2 4.22Å; T12-F16 HydrophobicContact CG2-CE2 3.99Å; T12-F16 VanDerWaalsContact O-CD2 3.23Å; T12-F16 WeakPolarHBondContact O-CD2 3.39Å; T12-F16 PolarHBondContact O-N 2.93Å; T12-F16 VanDerWaalsContact O-N 3.11Å
13	L	77.2	Confident	70.7	Confident	108 Å²	108	108.1 Å²	108.1	57%	0.565	64%	0.635	S	S	*	*	H	α-helix	trans	-67.3	-36.9	178.3	-166.5	67.3	0	0	0	112.2	A9 A10 L15 F16 L17	A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.42Å; A10-L13 PolarHBondContact O-N 3.02Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.35Å; L13-F16 PolarHBondContact O-N 3.44Å; L13-L17 HydrophobicContact CG-CD1 4.02Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.48Å
14	S	74	Confident	70.1	Confident	73 Å²	73	107.3 Å²	107.3	51%	0.51	64%	0.637	S	S	.	*	H	α-helix	trans	-61.6	-40.2	173.1	-53.1	0	0	0	0	112.2	A10 A11 F16 L17 A18	A10-S14 PolarHBondContact O-N 3.09Å; A10-S14 PolarHBondContact O-OG 3.31Å; A11-S14 PolarHBondContact O-N 3.26Å; S14-F16 VanDerWaalsContact C-N 3.32Å; S14-L17 PolarHBondContact O-N 3.23Å; S14-A18 PolarHBondContact O-N 3.08Å
15	L	73	Confident	69.8	Low	139 Å²	139	106.6 Å²	106.6	73%	0.728	63%	0.632	S	S	*	*	H	α-helix	trans	-66.2	-33.2	175.3	-84.2	150.7	0	0	0	112.2	A11 T12 L13	A11-L15 WeakPolarHBondContact O-CD1 3.26Å; A11-L15 PolarHBondContact O-N 3.25Å; A11-L15 VanDerWaalsContact O-N 3.09Å; T12-L15 WeakPolarHBondContact O-CB 3.49Å; T12-L15 PolarHBondContact O-N 3.01Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.35Å
16	F	68.3	Low	69.8	Low	157 Å²	157	107.9 Å²	107.9	69%	0.689	64%	0.641	S	S	*	*	H	α-helix	trans	-73	-36.4	172.6	-84.7	-72.9	0	0	0	113	T12 L13 S14 G19	T12-F16 HydrophobicContact CG2-CD2 4.22Å; T12-F16 HydrophobicContact CG2-CE2 3.99Å; T12-F16 VanDerWaalsContact O-CD2 3.23Å; T12-F16 WeakPolarHBondContact O-CD2 3.39Å; T12-F16 PolarHBondContact O-N 2.93Å; T12-F16 VanDerWaalsContact O-N 3.11Å; L13-F16 PolarHBondContact O-N 3.44Å; S14-F16 VanDerWaalsContact C-N 3.32Å; F16-G19 PolarHBondContact O-N 3.06Å
17	L	64.3	Low	70	Confident	127 Å²	127	100.9 Å²	100.9	67%	0.665	61%	0.614	S	S	*	*	H	α-helix	trans	-75.1	-28.4	-179.2	-77.8	156.6	0	0	0	113.2	L13 S14 G19	L13-L17 HydrophobicContact CG-CD1 4.02Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.48Å; S14-L17 PolarHBondContact O-N 3.23Å; L17-G19 PolarHBondContact O-N 3.29Å
18	A	63.7	Low	70.4	Confident	89 Å²	89	98.5 Å²	98.5	74%	0.736	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-11.5	176.1	0	0	0	0	0	113.8	S14	S14-A18 PolarHBondContact O-N 3.08Å
19	G	62.7	Low	70.7	Confident	66 Å²	66	100.8 Å²	100.8	68%	0.68	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-6.5	-176	0	0	0	0	0	116.5	F16 L17	F16-G19 PolarHBondContact O-N 3.06Å; L17-G19 PolarHBondContact O-N 3.29Å
20	C	58.6	Low	71.1	Confident	122 Å²	122	101.1 Å²	101.1	82%	0.824	61%	0.609	S	S	*	*			trans	-118.4	25.6	-163.7	-112.6	0	0	0	0	116.2
21	S	51.7	Low	71.6	Confident	119 Å²	119	101.5 Å²	101.5	83%	0.832	61%	0.607	S	S	*	*			trans	-117.6	54	177.7	175.8	0	0	0	0	112.4
22	G	52	Low	72.1	Confident	66 Å²	66	100.8 Å²	100.8	68%	0.68	60%	0.598	S	S	*	*			trans	-109.8	82.6	172.9	0	0	0	0	0	111.3	K24	G22-K24 PolarHBondContact O-N 3.01Å
23	S	55.1	Low	72.8	Confident	113 Å²	113	101.8 Å²	101.8	79%	0.79	60%	0.601	S	S	*	*			trans	-61.7	126.8	163.2	49	0	0	0	0	108.1	E25	S23-E25 PolarHBondContact O-N 3.36Å
24	K	58.9	Low	73.6	Confident	200 Å²	200	101 Å²	101	87%	0.87	60%	0.595	S	S	*	*			trans	-60.8	113.7	171.9	-76.7	-177.1	178.3	-179.8	0	107.3	G22 E26	G22-K24 PolarHBondContact O-N 3.01Å; K24-E26 PolarHBondContact O-N 3.39Å; K24-E26 VanDerWaalsContact O-N 3.11Å
25	E	65.7	Low	74.6	Confident	115 Å²	115	97.7 Å²	97.7	54%	0.537	57%	0.571	S	S	.	*			trans	-65.3	109.1	174.7	-168	167.9	-179.5	0	0	107.6	S23 V27	S23-E25 PolarHBondContact O-N 3.36Å; E25-V27 PolarHBondContact O-N 2.89Å
26	E	79.2	Confident	75.7	Confident	177 Å²	177	92.9 Å²	92.9	83%	0.827	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-74.1	124.6	175.5	-73.2	-171.8	171.5	0	0	109.1	K24 P28	K24-E26 PolarHBondContact O-N 3.39Å; K24-E26 VanDerWaalsContact O-N 3.11Å; E26-P28 WeakPolarHBondContact O-CD 3.17Å
27	V	84.4	Confident	77	Confident	15 Å²	15	88.3 Å²	88.3	9%	0.091	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-67.8	121	174.4	177	0	0	0	0	108.4	E25 I35 T53 A57 R61	E25-V27 PolarHBondContact O-N 2.89Å; V27-I35 HydrophobicContact CG1-CD1 4.2Å; V27-I35 HydrophobicContact CG1-CG1 4.37Å; V27-I35 HydrophobicContact CG1-CG2 4.27Å; V27-T53 HydrophobicContact CG2-CG2 3.71Å; V27-A57 HydrophobicContact CB-CB 3.81Å; V27-A57 HydrophobicContact CG1-CB 3.89Å; V27-A57 HydrophobicContact CG2-CB 3.7Å; V27-R61 PolarHBondContact O-NH2 3.4Å
28	P	85.2	Confident	78.5	Confident	70 Å²	70	84.9 Å²	84.9	46%	0.455	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-54	154.9	177.2	-26	35.2	0	0	0	112.1	E26 N30 R61	E26-P28 WeakPolarHBondContact O-CD 3.17Å; P28-N30 PolarHBondContact O-N 2.9Å; P28-R61 PolarHBondContact O-NH1 2.87Å
29	D	87.4	Confident	80	Confident	135 Å²	135	80.6 Å²	80.6	72%	0.722	48%	0.484	S	S	*	.			trans	-81.3	56.7	176.6	-159.8	29.2	0	0	0	112.1	R61	D29-R61 IonicContact OD1-NH1 2.76Å; D29-R61 PolarHBondContact OD1-NH1 2.92Å
30	N	89.6	Confident	81.7	Confident	63 Å²	63	79.7 Å²	79.7	34%	0.337	46%	0.462	S	S	.	.			trans	-84	160.4	178.5	-68.3	-2.9	0	0	0	110.9	P28 E34 I35	P28-N30 PolarHBondContact O-N 2.9Å; N30-E34 HydrophobicContact CB-CB 4.16Å; N30-I35 HydrophobicContact CB-CG1 4.04Å; N30-I35 VanDerWaalsContact O-CD1 3.24Å; N30-I35 WeakPolarHBondContact O-CD1 3.39Å
31	P	91.8	Very high	83.6	Confident	59 Å²	59	78.5 Å²	78.5	38%	0.383	44%	0.444	S	S	.	.			trans	-53.5	148.7	171.7	-29.3	38.1	0	0	0	113.5	N33 E34 I35	P31-N33 VanDerWaalsContact C-N 3.27Å; P31-N33 WeakPolarHBondContact CB-OD1 3.27Å; P31-N33 PolarHBondContact O-N 3.31Å; P31-N33 VanDerWaalsContact O-N 3.14Å; P31-E34 PolarHBondContact O-N 3.05Å; P31-I35 PolarHBondContact O-N 3.19Å; P31-I35 VanDerWaalsContact O-N 3.16Å
32	P	92.1	Very high	85.7	Confident	37 Å²	37	75.4 Å²	75.4	24%	0.24	42%	0.416	C	S	.	.	H	α-helix	trans	-53.8	-38.1	-175.1	-24	27.4	0	0	0	114.9	Y36 L58 Y62	P32-Y36 VanDerWaalsContact O-CB 3.29Å; P32-Y36 WeakPolarHBondContact O-CB 3.47Å; P32-Y36 PolarHBondContact O-N 2.92Å; P32-L58 HydrophobicContact CB-CD1 3.8Å; P32-Y62 HydrophobicContact CB-CD2 4.19Å; P32-Y62 HydrophobicContact CB-CE2 4.2Å; P32-Y62 HydrophobicContact CB-CG 4.48Å; P32-Y62 HydrophobicContact CG-CD1 3.97Å; P32-Y62 HydrophobicContact CG-CD2 3.96Å; P32-Y62 HydrophobicContact CG-CE1 3.71Å; P32-Y62 HydrophobicContact CG-CE2 3.7Å; P32-Y62 HydrophobicContact CG-CG 4.08Å
33	N	94.1	Very high	87.9	Confident	87 Å²	87	72.9 Å²	72.9	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178.9	59.9	-33.7	0	0	0	112.4	P31 A37	P31-N33 VanDerWaalsContact C-N 3.27Å; P31-N33 WeakPolarHBondContact CB-OD1 3.27Å; P31-N33 PolarHBondContact O-N 3.31Å; P31-N33 VanDerWaalsContact O-N 3.14Å; N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.47Å; N33-A37 PolarHBondContact O-N 3.31Å
34	E	94.3	Very high	89.9	Confident	93 Å²	93	74.2 Å²	74.2	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-72.4	-41.1	177.5	-69	-176.7	-163.8	0	0	111.9	N30 P31 Y36 A37 T38	N30-E34 HydrophobicContact CB-CB 4.16Å; P31-E34 PolarHBondContact O-N 3.05Å; E34-Y36 VanDerWaalsContact C-N 3.32Å; E34-A37 PolarHBondContact O-N 3.05Å; E34-T38 WeakPolarHBondContact O-CB 3.36Å; E34-T38 PolarHBondContact O-N 2.88Å; E34-T38 PolarHBondContact O-OG1 3.21Å
35	I	93.9	Very high	91.7	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-46.9	173.3	-62.8	177.3	0	0	0	109.3	V27 N30 P31 T38 A39 Q54 L58	V27-I35 HydrophobicContact CG1-CD1 4.2Å; V27-I35 HydrophobicContact CG1-CG1 4.37Å; V27-I35 HydrophobicContact CG1-CG2 4.27Å; N30-I35 HydrophobicContact CB-CG1 4.04Å; N30-I35 VanDerWaalsContact O-CD1 3.24Å; N30-I35 WeakPolarHBondContact O-CD1 3.39Å; P31-I35 PolarHBondContact O-N 3.19Å; P31-I35 VanDerWaalsContact O-N 3.16Å; I35-T38 WeakPolarHBondContact O-CB 3.42Å; I35-T38 PolarHBondContact O-N 3.17Å; I35-A39 WeakPolarHBondContact O-CB 3.23Å; I35-A39 PolarHBondContact O-N 3.25Å; I35-Q54 HydrophobicContact CG2-CB 4.4Å; I35-Q54 WeakPolarHBondContact CG2-O 3.38Å; I35-L58 HydrophobicContact CB-CD1 4.49Å; I35-L58 HydrophobicContact CG2-CB 4.14Å; I35-L58 HydrophobicContact CG2-CD1 4.47Å
36	Y	96.1	Very high	93.2	Very high	39 Å²	39	65.3 Å²	65.3	15%	0.153	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-42.8	178.7	-173.5	-110.3	0	0	0	112.8	P32 E34 T38 A39 Q40 L55 L58 Y67 Q70 V71 D74	P32-Y36 VanDerWaalsContact O-CB 3.29Å; P32-Y36 WeakPolarHBondContact O-CB 3.47Å; P32-Y36 PolarHBondContact O-N 2.92Å; E34-Y36 VanDerWaalsContact C-N 3.32Å; Y36-T38 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 3.02Å; Y36-A39 WeakPolarHBondContact O-CB 3.49Å; Y36-A39 PolarHBondContact O-N 3.5Å; Y36-Q40 HydrophobicContact CD1-CG 4.25Å; Y36-Q40 HydrophobicContact CE1-CG 3.81Å; Y36-Q40 HydrophobicContact CE2-CG 4.23Å; Y36-Q40 WeakPolarHBondContact O-CB 3.4Å; Y36-Q40 WeakPolarHBondContact O-CG 3.42Å; Y36-Q40 PolarHBondContact O-N 3.22Å; Y36-Q40 PolarHBondContact OH-NE2 3.12Å; Y36-L55 HydrophobicContact CD2-CD2 4.48Å; Y36-L58 HydrophobicContact CD2-CD2 3.8Å; Y36-L58 HydrophobicContact CG-CD2 4.19Å; Y36-Y67 HydrophobicContact CD1-CG 4.41Å; Y36-Y67 HydrophobicContact CE1-CD1 4.47Å; Y36-Y67 HydrophobicContact CG-CD2 4.47Å; Y36-Y67 HydrophobicContact CG-CG 4.46Å; Y36-Q70 HydrophobicContact CE2-CG 4.43Å; Y36-Q70 WeakPolarHBondContact OH-CG 3.48Å; Y36-V71 HydrophobicContact CD2-CG2 3.85Å; Y36-V71 HydrophobicContact CE2-CG2 3.97Å; Y36-D74 VanDerWaalsContact CE2-OD2 3.32Å; Y36-D74 WeakPolarHBondContact CE2-OD2 3.4Å; Y36-D74 PolarHBondContact OH-OD2 3.06Å
37	A	96.3	Very high	94.1	Very high	60 Å²	60	59.7 Å²	59.7	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-40.7	175.7	0	0	0	0	0	111.7	N33 E34 Q40 Q41	N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.47Å; N33-A37 PolarHBondContact O-N 3.31Å; E34-A37 PolarHBondContact O-N 3.05Å; A37-Q40 PolarHBondContact O-N 3.41Å; A37-Q41 PolarHBondContact O-N 2.83Å
38	T	95.5	Very high	94.7	Very high	55 Å²	55	61.5 Å²	61.5	34%	0.337	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.7	-57.6	0	0	0	0	110.9	E34 I35 Y36 Q40 Q41 K42 Q54	E34-T38 WeakPolarHBondContact O-CB 3.36Å; E34-T38 PolarHBondContact O-N 2.88Å; E34-T38 PolarHBondContact O-OG1 3.21Å; I35-T38 WeakPolarHBondContact O-CB 3.42Å; I35-T38 PolarHBondContact O-N 3.17Å; Y36-T38 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 3.02Å; T38-Q40 VanDerWaalsContact C-N 3.32Å; T38-Q40 PolarHBondContact O-N 3.05Å; T38-Q41 PolarHBondContact O-N 3.38Å; T38-K42 WeakPolarHBondContact O-CG 3.26Å; T38-K42 PolarHBondContact O-N 3.3Å; T38-Q54 HydrophobicContact CG2-CG 4.32Å
39	A	96.4	Very high	95.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-46.2	175.6	0	0	0	0	0	111.9	I35 Y36 Q41 K42 L43 Q54 L55	I35-A39 WeakPolarHBondContact O-CB 3.23Å; I35-A39 PolarHBondContact O-N 3.25Å; Y36-A39 WeakPolarHBondContact O-CB 3.49Å; Y36-A39 PolarHBondContact O-N 3.5Å; A39-Q41 PolarHBondContact O-N 3.1Å; A39-K42 PolarHBondContact O-N 3.43Å; A39-K42 VanDerWaalsContact O-N 3.16Å; A39-L43 WeakPolarHBondContact O-CG 3.28Å; A39-L43 PolarHBondContact O-N 3.38Å; A39-Q54 HydrophobicContact CB-CB 3.72Å; A39-L55 HydrophobicContact CB-CD2 3.76Å; A39-L55 HydrophobicContact CB-CG 3.89Å
40	Q	97.6	Very high	95.6	Very high	46 Å²	46	62.9 Å²	62.9	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-41.7	178.1	-76.7	-66.7	-36.2	0	0	112.5	Y36 A37 T38 L43 Q44 D74	Y36-Q40 HydrophobicContact CD1-CG 4.25Å; Y36-Q40 HydrophobicContact CE1-CG 3.81Å; Y36-Q40 HydrophobicContact CE2-CG 4.23Å; Y36-Q40 WeakPolarHBondContact O-CB 3.4Å; Y36-Q40 WeakPolarHBondContact O-CG 3.42Å; Y36-Q40 PolarHBondContact O-N 3.22Å; Y36-Q40 PolarHBondContact OH-NE2 3.12Å; A37-Q40 PolarHBondContact O-N 3.41Å; T38-Q40 VanDerWaalsContact C-N 3.32Å; T38-Q40 PolarHBondContact O-N 3.05Å; Q40-L43 PolarHBondContact O-N 3.45Å; Q40-Q44 VanDerWaalsContact O-CG 3.32Å; Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 3.13Å; Q40-D74 PolarHBondContact NE2-OD2 2.66Å
41	Q	97.7	Very high	96	Very high	97 Å²	97	59.9 Å²	59.9	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-46.4	173.2	-173.3	62.1	41.8	0	0	111.1	A37 T38 A39 L43 Q44 D45	A37-Q41 PolarHBondContact O-N 2.83Å; T38-Q41 PolarHBondContact O-N 3.38Å; A39-Q41 PolarHBondContact O-N 3.1Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.41Å; Q41-Q44 PolarHBondContact O-N 2.98Å; Q41-Q44 VanDerWaalsContact O-N 3.13Å; Q41-D45 PolarHBondContact NE2-OD1 3.48Å; Q41-D45 WeakPolarHBondContact O-CB 3.36Å; Q41-D45 PolarHBondContact O-N 3.3Å
42	K	97.4	Very high	96.2	Very high	55 Å²	55	57.5 Å²	57.5	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-35.2	178.4	-62	-58.7	178.3	173.2	0	112.8	T38 A39 G46 N47 Q50 A51	T38-K42 WeakPolarHBondContact O-CG 3.26Å; T38-K42 PolarHBondContact O-N 3.3Å; A39-K42 PolarHBondContact O-N 3.43Å; A39-K42 VanDerWaalsContact O-N 3.16Å; K42-G46 PolarHBondContact O-N 2.92Å; K42-N47 CarbonylContact O-C 3.56Å; K42-N47 WeakPolarHBondContact O-CA 3.45Å; K42-N47 PolarHBondContact O-N 2.96Å; K42-Q50 HydrophobicContact CB-CB 4.39Å; K42-Q50 HydrophobicContact CD-CB 4.03Å; K42-Q50 HydrophobicContact CG-CB 4.05Å; K42-A51 HydrophobicContact CB-CB 3.81Å
43	L	97.4	Very high	96.5	Very high	12 Å²	12	58 Å²	58	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-45.9	172.4	-70.2	172.1	0	0	0	111.3	A39 Q40 Q41 D45 G46 W48 A51 L55 D74 Y77 A78	A39-L43 WeakPolarHBondContact O-CG 3.28Å; A39-L43 PolarHBondContact O-N 3.38Å; Q40-L43 PolarHBondContact O-N 3.45Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.41Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 2.73Å; L43-G46 PolarHBondContact O-N 2.94Å; L43-G46 VanDerWaalsContact O-N 3.12Å; L43-W48 HydrophobicContact CB-CZ3 4.31Å; L43-W48 HydrophobicContact CD2-CE3 3.95Å; L43-W48 HydrophobicContact CD2-CZ3 4.06Å; L43-W48 WeakPolarHBondContact O-CH2 3.46Å; L43-W48 WeakPolarHBondContact O-CZ3 3.44Å; L43-A51 HydrophobicContact CD2-CB 3.49Å; L43-A51 VanDerWaalsContact CD2-CB 3.49Å; L43-A51 HydrophobicContact CG-CB 3.7Å; L43-L55 HydrophobicContact CD1-CD1 4.39Å; L43-L55 HydrophobicContact CD2-CD1 4.48Å; L43-D74 HydrophobicContact CD1-CB 3.92Å; L43-Y77 HydrophobicContact CD2-CD1 4.18Å; L43-A78 HydrophobicContact CD2-CB 3.79Å
44	Q	97.3	Very high	96.5	Very high	141 Å²	141	54.7 Å²	54.7	66%	0.659	28%	0.275	S	S	*	.	H	α-helix	trans	-66.3	-35.6	-179.8	-68.7	171	35	0	0	112.1	Q40 Q41 G46	Q40-Q44 VanDerWaalsContact O-CG 3.32Å; Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 3.13Å; Q41-Q44 PolarHBondContact O-N 2.98Å; Q41-Q44 VanDerWaalsContact O-N 3.13Å; Q44-G46 PolarHBondContact O-N 3.18Å
45	D	97	Very high	96.7	Very high	98 Å²	98	50.3 Å²	50.3	52%	0.524	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.3	175.4	-63.6	-18.3	0	0	0	113.1	Q41 L43 N47	Q41-D45 PolarHBondContact NE2-OD1 3.48Å; Q41-D45 WeakPolarHBondContact O-CB 3.36Å; Q41-D45 PolarHBondContact O-N 3.3Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 2.73Å; D45-N47 PolarHBondContact O-N 3.09Å
46	G	96.7	Very high	96.8	Very high	31 Å²	31	53.5 Å²	53.5	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	12.3	-173.5	0	0	0	0	0	114.2	K42 L43 Q44 W48	K42-G46 PolarHBondContact O-N 2.92Å; L43-G46 PolarHBondContact O-N 2.94Å; L43-G46 VanDerWaalsContact O-N 3.12Å; Q44-G46 PolarHBondContact O-N 3.18Å; G46-W48 VanDerWaalsContact C-N 3.27Å; G46-W48 PolarHBondContact O-N 3.24Å; G46-W48 VanDerWaalsContact O-N 3.07Å; G46-W48 PolarHBondContact O-NE1 3.4Å
47	N	96.8	Very high	96.7	Very high	58 Å²	58	52.3 Å²	52.3	31%	0.31	27%	0.267	S	S	.	.			trans	-86.3	69.3	176.9	-166.3	-20.1	0	0	0	110.5	K42 D45 R49 Q50 A51	K42-N47 CarbonylContact O-C 3.56Å; K42-N47 WeakPolarHBondContact O-CA 3.45Å; K42-N47 PolarHBondContact O-N 2.96Å; D45-N47 PolarHBondContact O-N 3.09Å; N47-R49 VanDerWaalsContact C-N 3.3Å; N47-R49 PolarHBondContact O-N 3.44Å; N47-Q50 PolarHBondContact ND2-OE1 2.92Å; N47-Q50 VanDerWaalsContact ND2-OE1 3.07Å; N47-Q50 PolarHBondContact O-N 2.97Å; N47-Q50 WeakPolarHBondContact OD1-CB 3.39Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.46Å; N47-Q50 PolarHBondContact OD1-N 2.75Å; N47-A51 PolarHBondContact O-N 2.92Å
48	W	97.4	Very high	96.6	Very high	53 Å²	53	49.8 Å²	49.8	20%	0.201	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-42.2	-173.6	-45.5	124.5	0	0	0	112.7	L43 G46 Q50 A51 I52 Y77 K81 N82	L43-W48 HydrophobicContact CB-CZ3 4.31Å; L43-W48 HydrophobicContact CD2-CE3 3.95Å; L43-W48 HydrophobicContact CD2-CZ3 4.06Å; L43-W48 WeakPolarHBondContact O-CH2 3.46Å; L43-W48 WeakPolarHBondContact O-CZ3 3.44Å; G46-W48 VanDerWaalsContact C-N 3.27Å; G46-W48 PolarHBondContact O-N 3.24Å; G46-W48 VanDerWaalsContact O-N 3.07Å; G46-W48 PolarHBondContact O-NE1 3.4Å; W48-Q50 PolarHBondContact O-N 2.97Å; W48-A51 WeakPolarHBondContact O-CB 3.45Å; W48-A51 PolarHBondContact O-N 3.21Å; W48-I52 WeakPolarHBondContact O-CB 3.36Å; W48-I52 WeakPolarHBondContact O-CD1 3.43Å; W48-I52 VanDerWaalsContact O-CG1 3.22Å; W48-I52 WeakPolarHBondContact O-CG1 3.41Å; W48-I52 PolarHBondContact O-N 3.39Å; W48-Y77 HydrophobicContact CE3-CE1 4.22Å; W48-Y77 AromaticContact CH2-CE1 3.79Å; W48-Y77 HydrophobicContact CH2-CE1 3.79Å; W48-Y77 WeakPolarHBondContact CH2-OH 3.42Å; W48-Y77 HydrophobicContact CZ3-CD1 4.28Å; W48-Y77 AromaticContact CZ3-CE1 3.44Å; W48-Y77 HydrophobicContact CZ3-CE1 3.44Å; W48-Y77 VanDerWaalsContact CZ3-CE1 3.44Å; W48-K81 HydrophobicContact CD2-CB 3.64Å; W48-K81 HydrophobicContact CD2-CG 4.42Å; W48-K81 HydrophobicContact CE3-CB 4.23Å; W48-K81 HydrophobicContact CG-CB 3.83Å; W48-K81 HydrophobicContact CZ2-CB 4.13Å; W48-K81 HydrophobicContact CZ2-CG 4.22Å; W48-N82 HydrophobicContact CB-CB 3.76Å; W48-N82 HydrophobicContact CG-CB 4.49Å
49	R	96.5	Very high	96.6	Very high	181 Å²	181	48 Å²	48	68%	0.683	23%	0.234	S	C	*	.	H	α-helix	trans	-61.7	-44.9	-179.7	-174.2	175.3	178.3	170.7	-0.5	112.4	N47 I52 T53	N47-R49 VanDerWaalsContact C-N 3.3Å; N47-R49 PolarHBondContact O-N 3.44Å; R49-I52 PolarHBondContact O-N 2.91Å; R49-T53 PolarHBondContact O-N 3.22Å; R49-T53 PolarHBondContact O-OG1 3.29Å; R49-T53 VanDerWaalsContact O-OG1 3.14Å
50	Q	95.5	Very high	96.5	Very high	53 Å²	53	54 Å²	54	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-70.3	-36	176.6	-72.7	-174.1	-1.5	0	0	111.8	K42 N47 W48 T53 Q54	K42-Q50 HydrophobicContact CB-CB 4.39Å; K42-Q50 HydrophobicContact CD-CB 4.03Å; K42-Q50 HydrophobicContact CG-CB 4.05Å; N47-Q50 PolarHBondContact ND2-OE1 2.92Å; N47-Q50 VanDerWaalsContact ND2-OE1 3.07Å; N47-Q50 PolarHBondContact O-N 2.97Å; N47-Q50 WeakPolarHBondContact OD1-CB 3.39Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.46Å; N47-Q50 PolarHBondContact OD1-N 2.75Å; W48-Q50 PolarHBondContact O-N 2.97Å; Q50-T53 PolarHBondContact O-N 3.49Å; Q50-Q54 WeakPolarHBondContact O-CG 3.45Å; Q50-Q54 PolarHBondContact O-N 3.35Å
51	A	97.4	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-46.8	173.7	0	0	0	0	0	111.8	K42 L43 N47 W48 T53 Q54 L55	K42-A51 HydrophobicContact CB-CB 3.81Å; L43-A51 HydrophobicContact CD2-CB 3.49Å; L43-A51 VanDerWaalsContact CD2-CB 3.49Å; L43-A51 HydrophobicContact CG-CB 3.7Å; N47-A51 PolarHBondContact O-N 2.92Å; W48-A51 WeakPolarHBondContact O-CB 3.45Å; W48-A51 PolarHBondContact O-N 3.21Å; A51-T53 VanDerWaalsContact C-N 3.33Å; A51-T53 PolarHBondContact O-N 3.26Å; A51-Q54 PolarHBondContact O-N 3.01Å; A51-Q54 VanDerWaalsContact O-N 3.17Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.43Å; A51-L55 PolarHBondContact O-N 3.03Å
52	I	97.8	Very high	96.1	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-54.7	-49.1	176.3	-71.6	160.7	0	0	0	110.4	W48 R49 Q54 L55 E56 L75 A78 Y79 N82	W48-I52 WeakPolarHBondContact O-CB 3.36Å; W48-I52 WeakPolarHBondContact O-CD1 3.43Å; W48-I52 VanDerWaalsContact O-CG1 3.22Å; W48-I52 WeakPolarHBondContact O-CG1 3.41Å; W48-I52 PolarHBondContact O-N 3.39Å; R49-I52 PolarHBondContact O-N 2.91Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.36Å; I52-L55 PolarHBondContact O-N 2.96Å; I52-E56 HydrophobicContact CG2-CG 4.02Å; I52-E56 WeakPolarHBondContact CG2-OE1 3.38Å; I52-E56 WeakPolarHBondContact O-CB 3.24Å; I52-E56 WeakPolarHBondContact O-CG 3.46Å; I52-E56 PolarHBondContact O-N 2.96Å; I52-L75 HydrophobicContact CG2-CD2 4.47Å; I52-A78 HydrophobicContact CD1-CB 4.18Å; I52-A78 HydrophobicContact CG1-CB 3.6Å; I52-Y79 HydrophobicContact CB-CE1 4.48Å; I52-Y79 HydrophobicContact CD1-CD1 3.69Å; I52-Y79 HydrophobicContact CD1-CE1 4.12Å; I52-Y79 HydrophobicContact CG1-CD1 4.01Å; I52-Y79 HydrophobicContact CG1-CE1 4.1Å; I52-Y79 HydrophobicContact CG2-CD1 4.24Å; I52-Y79 HydrophobicContact CG2-CE1 3.52Å; I52-N82 HydrophobicContact CD1-CB 3.87Å
53	T	96.4	Very high	95.8	Very high	48 Å²	48	55.9 Å²	55.9	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-44.7	178.5	-56.9	0	0	0	0	112.4	V27 R49 Q50 A51 A57	V27-T53 HydrophobicContact CG2-CG2 3.71Å; R49-T53 PolarHBondContact O-N 3.22Å; R49-T53 PolarHBondContact O-OG1 3.29Å; R49-T53 VanDerWaalsContact O-OG1 3.14Å; Q50-T53 PolarHBondContact O-N 3.49Å; A51-T53 VanDerWaalsContact C-N 3.33Å; A51-T53 PolarHBondContact O-N 3.26Å; T53-A57 WeakPolarHBondContact O-CB 3.31Å; T53-A57 PolarHBondContact O-N 2.91Å; T53-A57 VanDerWaalsContact O-N 3.17Å
54	Q	95.9	Very high	95.5	Very high	17 Å²	17	64.7 Å²	64.7	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-43.1	179.1	-62.6	-68	-22.5	0	0	111.9	I35 T38 A39 Q50 A51 I52 A57 L58	I35-Q54 HydrophobicContact CG2-CB 4.4Å; I35-Q54 WeakPolarHBondContact CG2-O 3.38Å; T38-Q54 HydrophobicContact CG2-CG 4.32Å; A39-Q54 HydrophobicContact CB-CB 3.72Å; Q50-Q54 WeakPolarHBondContact O-CG 3.45Å; Q50-Q54 PolarHBondContact O-N 3.35Å; A51-Q54 PolarHBondContact O-N 3.01Å; A51-Q54 VanDerWaalsContact O-N 3.17Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.36Å; Q54-A57 PolarHBondContact O-N 3.48Å; Q54-L58 PolarHBondContact O-N 3.1Å
55	L	97	Very high	95.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-41.3	-179.4	-68	167.1	0	0	0	112.4	Y36 A39 L43 A51 I52 A57 L58 D59 V71 D74 L75	Y36-L55 HydrophobicContact CD2-CD2 4.48Å; A39-L55 HydrophobicContact CB-CD2 3.76Å; A39-L55 HydrophobicContact CB-CG 3.89Å; L43-L55 HydrophobicContact CD1-CD1 4.39Å; L43-L55 HydrophobicContact CD2-CD1 4.48Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.43Å; A51-L55 PolarHBondContact O-N 3.03Å; I52-L55 PolarHBondContact O-N 2.96Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-L58 PolarHBondContact O-N 3.47Å; L55-D59 PolarHBondContact O-N 2.86Å; L55-V71 HydrophobicContact CB-CG1 4.21Å; L55-V71 HydrophobicContact CD2-CB 4.45Å; L55-V71 HydrophobicContact CD2-CG1 4.06Å; L55-V71 HydrophobicContact CD2-CG2 4.34Å; L55-V71 WeakPolarHBondContact O-CG1 3.48Å; L55-D74 HydrophobicContact CD1-CB 3.71Å; L55-D74 HydrophobicContact CD2-CB 3.9Å; L55-D74 HydrophobicContact CG-CB 4.47Å; L55-L75 HydrophobicContact CB-CD1 4.39Å; L55-L75 HydrophobicContact CB-CD2 3.49Å; L55-L75 VanDerWaalsContact CB-CD2 3.49Å; L55-L75 HydrophobicContact CB-CG 3.69Å; L55-L75 HydrophobicContact CD1-CD2 4.15Å; L55-L75 HydrophobicContact CD1-CG 4.24Å; L55-L75 HydrophobicContact CG-CD2 4.48Å
56	E	96.4	Very high	94.7	Very high	70 Å²	70	59.5 Å²	59.5	33%	0.327	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.4	-74.4	-179.6	171.1	0	0	111	I52 L58 D59 N60 L75 Y79	I52-E56 HydrophobicContact CG2-CG 4.02Å; I52-E56 WeakPolarHBondContact CG2-OE1 3.38Å; I52-E56 WeakPolarHBondContact O-CB 3.24Å; I52-E56 WeakPolarHBondContact O-CG 3.46Å; I52-E56 PolarHBondContact O-N 2.96Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.19Å; E56-D59 PolarHBondContact O-N 2.94Å; E56-N60 VanDerWaalsContact O-CB 3.27Å; E56-N60 WeakPolarHBondContact O-CB 3.35Å; E56-N60 PolarHBondContact O-N 3.46Å; E56-N60 PolarHBondContact O-ND2 3.3Å; E56-L75 HydrophobicContact CG-CD2 3.91Å; E56-Y79 WeakPolarHBondContact CG-OH 3.38Å; E56-Y79 PolarHBondContact OE1-OH 2.96Å
57	A	94.2	Very high	94.4	Very high	14 Å²	14	62.7 Å²	62.7	12%	0.116	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-40.1	174.5	0	0	0	0	0	111.4	V27 T53 Q54 L55 R61	V27-A57 HydrophobicContact CB-CB 3.81Å; V27-A57 HydrophobicContact CG1-CB 3.89Å; V27-A57 HydrophobicContact CG2-CB 3.7Å; T53-A57 WeakPolarHBondContact O-CB 3.31Å; T53-A57 PolarHBondContact O-N 2.91Å; T53-A57 VanDerWaalsContact O-N 3.17Å; Q54-A57 PolarHBondContact O-N 3.48Å; L55-A57 VanDerWaalsContact C-N 3.35Å; A57-R61 WeakPolarHBondContact O-CB 3.36Å; A57-R61 VanDerWaalsContact O-CG 3.23Å; A57-R61 WeakPolarHBondContact O-CG 3.38Å; A57-R61 PolarHBondContact O-N 3.14Å
58	L	94.4	Very high	94.2	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-44.6	177.7	-168.6	59.4	0	0	0	112.6	P32 I35 Y36 Q54 L55 E56 N60 Y62 V71	P32-L58 HydrophobicContact CB-CD1 3.8Å; I35-L58 HydrophobicContact CB-CD1 4.49Å; I35-L58 HydrophobicContact CG2-CB 4.14Å; I35-L58 HydrophobicContact CG2-CD1 4.47Å; Y36-L58 HydrophobicContact CD2-CD2 3.8Å; Y36-L58 HydrophobicContact CG-CD2 4.19Å; Q54-L58 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 3.47Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.19Å; L58-N60 VanDerWaalsContact C-N 3.32Å; L58-N60 PolarHBondContact O-N 3.19Å; L58-Y62 HydrophobicContact CD1-CD2 3.6Å; L58-Y62 HydrophobicContact CD1-CE2 4.26Å; L58-Y62 HydrophobicContact CD1-CG 4.43Å; L58-Y62 WeakPolarHBondContact O-CA 3.44Å; L58-Y62 PolarHBondContact O-N 3.03Å; L58-V71 HydrophobicContact CD2-CG2 3.4Å; L58-V71 VanDerWaalsContact CD2-CG2 3.4Å; L58-V71 HydrophobicContact CG-CG2 4.03Å
59	D	94.9	Very high	94.1	Very high	16 Å²	16	62.6 Å²	62.6	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-38.6	176.3	-167.4	52.9	0	0	0	111.3	L55 E56 P63 V71 Q72 L75 R94	L55-D59 PolarHBondContact O-N 2.86Å; E56-D59 PolarHBondContact O-N 2.94Å; D59-P63 WeakPolarHBondContact O-CA 3.42Å; D59-V71 HydrophobicContact CB-CG1 4.11Å; D59-Q72 PolarHBondContact OD1-NE2 3.07Å; D59-L75 HydrophobicContact CB-CD1 4.3Å; D59-R94 IonicContact OD1-NH2 2.66Å; D59-R94 IonicContact OD2-CZ 3.87Å; D59-R94 VanDerWaalsContact OD2-CZ 3.27Å; D59-R94 IonicContact OD2-NH1 3.31Å; D59-R94 PolarHBondContact OD2-NH1 3.47Å; D59-R94 IonicContact OD2-NH2 2.89Å; D59-R94 PolarHBondContact OD2-NH2 3.46Å
60	N	93.9	Very high	94.1	Very high	127 Å²	127	57.6 Å²	57.6	68%	0.679	29%	0.29	S	S	*	.	H	α-helix	trans	-73.4	-43.8	179.1	-73.1	-37.9	0	0	0	113.2	E56 L58	E56-N60 VanDerWaalsContact O-CB 3.27Å; E56-N60 WeakPolarHBondContact O-CB 3.35Å; E56-N60 PolarHBondContact O-N 3.46Å; E56-N60 PolarHBondContact O-ND2 3.3Å; L58-N60 VanDerWaalsContact C-N 3.32Å; L58-N60 PolarHBondContact O-N 3.19Å
61	R	93.7	Very high	94.2	Very high	95 Å²	95	55.1 Å²	55.1	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-77.9	-33.7	-177.7	-68.2	177.2	-168.3	173.7	8.8	112.5	V27 P28 D29 A57	V27-R61 PolarHBondContact O-NH2 3.4Å; P28-R61 PolarHBondContact O-NH1 2.87Å; D29-R61 IonicContact OD1-NH1 2.76Å; D29-R61 PolarHBondContact OD1-NH1 2.92Å; A57-R61 WeakPolarHBondContact O-CB 3.36Å; A57-R61 VanDerWaalsContact O-CG 3.23Å; A57-R61 WeakPolarHBondContact O-CG 3.38Å; A57-R61 PolarHBondContact O-N 3.14Å
62	Y	93.4	Very high	94.2	Very high	78 Å²	78	55.9 Å²	55.9	31%	0.306	28%	0.282	S	S	.	.			trans	-132.8	61.3	-171.9	-52.6	-79	0	0	0	112.2	P32 L58 F64 G65	P32-Y62 HydrophobicContact CB-CD2 4.19Å; P32-Y62 HydrophobicContact CB-CE2 4.2Å; P32-Y62 HydrophobicContact CB-CG 4.48Å; P32-Y62 HydrophobicContact CG-CD1 3.97Å; P32-Y62 HydrophobicContact CG-CD2 3.96Å; P32-Y62 HydrophobicContact CG-CE1 3.71Å; P32-Y62 HydrophobicContact CG-CE2 3.7Å; P32-Y62 HydrophobicContact CG-CG 4.08Å; L58-Y62 HydrophobicContact CD1-CD2 3.6Å; L58-Y62 HydrophobicContact CD1-CE2 4.26Å; L58-Y62 HydrophobicContact CD1-CG 4.43Å; L58-Y62 WeakPolarHBondContact O-CA 3.44Å; L58-Y62 PolarHBondContact O-N 3.03Å; Y62-F64 PolarHBondContact O-N 3.01Å; Y62-F64 VanDerWaalsContact O-N 3.09Å; Y62-G65 PolarHBondContact O-N 3.29Å
63	P	91.6	Very high	94.2	Very high	64 Å²	64	55.8 Å²	55.8	42%	0.416	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	-174.2	24.6	-35.2	0	0	0	114.2	D59 S68	D59-P63 WeakPolarHBondContact O-CA 3.42Å; P63-S68 WeakPolarHBondContact O-CB 3.11Å
64	F	92	Very high	94.3	Very high	197 Å²	197	54.1 Å²	54.1	86%	0.864	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	17.5	175	-51.9	-71.8	0	0	0	112.3	Y62	Y62-F64 PolarHBondContact O-N 3.01Å; Y62-F64 VanDerWaalsContact O-N 3.09Å
65	G	88.6	Confident	94.4	Very high	15 Å²	15	53.5 Å²	53.5	16%	0.155	27%	0.268	C	S	.	.	S	Bend	trans	-63.2	161.8	179.3	0	0	0	0	0	112.3	Y62 Y67 S68	Y62-G65 PolarHBondContact O-N 3.29Å; G65-Y67 PolarHBondContact O-N 3.03Å; G65-Y67 VanDerWaalsContact O-N 3.08Å; G65-S68 VanDerWaalsContact O-CB 3.29Å; G65-S68 WeakPolarHBondContact O-CB 3.19Å; G65-S68 PolarHBondContact O-N 3.49Å; G65-S68 PolarHBondContact O-OG 2.83Å
66	P	87.7	Confident	94.5	Very high	116 Å²	116	53.5 Å²	53.5	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23	-177	25.5	-34.9	0	0	0	113.2
67	Y	90	Very high	94.6	Very high	98 Å²	98	53.8 Å²	53.8	38%	0.384	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.9	179	-50.1	-64.1	0	0	0	113.5	Y36 G65 Q69 Q70 V71	Y36-Y67 HydrophobicContact CD1-CG 4.41Å; Y36-Y67 HydrophobicContact CE1-CD1 4.47Å; Y36-Y67 HydrophobicContact CG-CD2 4.47Å; Y36-Y67 HydrophobicContact CG-CG 4.46Å; G65-Y67 PolarHBondContact O-N 3.03Å; G65-Y67 VanDerWaalsContact O-N 3.08Å; Y67-Q69 VanDerWaalsContact C-N 3.34Å; Y67-Q69 PolarHBondContact O-N 3.4Å; Y67-Q70 PolarHBondContact O-N 2.79Å; Y67-V71 VanDerWaalsContact O-CG2 3.29Å; Y67-V71 WeakPolarHBondContact O-CG2 3.38Å; Y67-V71 PolarHBondContact O-N 2.87Å
68	S	93.2	Very high	94.8	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-50.2	-48.1	-171.2	51	0	0	0	0	113.6	P63 G65 V71 Q72	P63-S68 WeakPolarHBondContact O-CB 3.11Å; G65-S68 VanDerWaalsContact O-CB 3.29Å; G65-S68 WeakPolarHBondContact O-CB 3.19Å; G65-S68 PolarHBondContact O-N 3.49Å; G65-S68 PolarHBondContact O-OG 2.83Å; S68-V71 PolarHBondContact O-N 3.46Å; S68-Q72 WeakPolarHBondContact O-CG 3.28Å; S68-Q72 PolarHBondContact O-N 3.34Å; S68-Q72 VanDerWaalsContact O-N 3.12Å
69	Q	95.5	Very high	95	Very high	80 Å²	80	53.7 Å²	53.7	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-45	177.3	-69.9	173.8	-16.8	0	0	112	Y67 Q72 L73 F95 N99 H102	Y67-Q69 VanDerWaalsContact C-N 3.34Å; Y67-Q69 PolarHBondContact O-N 3.4Å; Q69-Q72 PolarHBondContact O-N 3.39Å; Q69-L73 WeakPolarHBondContact O-CG 3.34Å; Q69-L73 PolarHBondContact O-N 3.26Å; Q69-F95 HydrophobicContact CB-CE2 4.27Å; Q69-N99 PolarHBondContact NE2-OD1 2.8Å; Q69-H102 PolarHBondContact OE1-CD2 2.87Å
70	Q	96.8	Very high	95.1	Very high	75 Å²	75	55.7 Å²	55.7	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-40.3	179.5	-174.6	59.4	46.5	0	0	111.9	Y36 Y67 Q72 L73 D74	Y36-Q70 HydrophobicContact CE2-CG 4.43Å; Y36-Q70 WeakPolarHBondContact OH-CG 3.48Å; Y67-Q70 PolarHBondContact O-N 2.79Å; Q70-Q72 VanDerWaalsContact C-N 3.27Å; Q70-Q72 PolarHBondContact O-N 3.02Å; Q70-L73 WeakPolarHBondContact O-CB 3.25Å; Q70-L73 PolarHBondContact O-N 2.77Å; Q70-L73 VanDerWaalsContact O-N 3.1Å; Q70-D74 PolarHBondContact NE2-OD1 2.82Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.23Å
71	V	97.2	Very high	95.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-40.9	174	169.8	0	0	0	0	111	Y36 L55 L58 D59 Y67 S68 D74 L75	Y36-V71 HydrophobicContact CD2-CG2 3.85Å; Y36-V71 HydrophobicContact CE2-CG2 3.97Å; L55-V71 HydrophobicContact CB-CG1 4.21Å; L55-V71 HydrophobicContact CD2-CB 4.45Å; L55-V71 HydrophobicContact CD2-CG1 4.06Å; L55-V71 HydrophobicContact CD2-CG2 4.34Å; L55-V71 WeakPolarHBondContact O-CG1 3.48Å; L58-V71 HydrophobicContact CD2-CG2 3.4Å; L58-V71 VanDerWaalsContact CD2-CG2 3.4Å; L58-V71 HydrophobicContact CG-CG2 4.03Å; D59-V71 HydrophobicContact CB-CG1 4.11Å; Y67-V71 VanDerWaalsContact O-CG2 3.29Å; Y67-V71 WeakPolarHBondContact O-CG2 3.38Å; Y67-V71 PolarHBondContact O-N 2.87Å; S68-V71 PolarHBondContact O-N 3.46Å; V71-D74 PolarHBondContact O-N 3.23Å; V71-L75 HydrophobicContact CG1-CD1 4.28Å; V71-L75 WeakPolarHBondContact O-CB 3.35Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.44Å
72	Q	97.4	Very high	95.4	Very high	17 Å²	17	52.5 Å²	52.5	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-38.9	176	-69.1	177.2	-4.9	0	0	112.4	D59 S68 Q69 Q70 L75 I76 F95	D59-Q72 PolarHBondContact OD1-NE2 3.07Å; S68-Q72 WeakPolarHBondContact O-CG 3.28Å; S68-Q72 PolarHBondContact O-N 3.34Å; S68-Q72 VanDerWaalsContact O-N 3.12Å; Q69-Q72 PolarHBondContact O-N 3.39Å; Q70-Q72 VanDerWaalsContact C-N 3.27Å; Q70-Q72 PolarHBondContact O-N 3.02Å; Q72-L75 PolarHBondContact O-N 2.96Å; Q72-I76 VanDerWaalsContact O-CG1 3.26Å; Q72-I76 WeakPolarHBondContact O-CG1 3.39Å; Q72-I76 PolarHBondContact O-N 3.29Å; Q72-F95 HydrophobicContact CB-CD2 3.71Å; Q72-F95 HydrophobicContact CB-CE2 4.21Å
73	L	98.3	Very high	95.5	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-42.4	173.7	-63.3	-178.1	0	0	0	111.5	Q69 Q70 I76 Y77 F95 N104 Y107 V108	Q69-L73 WeakPolarHBondContact O-CG 3.34Å; Q69-L73 PolarHBondContact O-N 3.26Å; Q70-L73 WeakPolarHBondContact O-CB 3.25Å; Q70-L73 PolarHBondContact O-N 2.77Å; Q70-L73 VanDerWaalsContact O-N 3.1Å; L73-I76 WeakPolarHBondContact O-CB 3.17Å; L73-I76 PolarHBondContact O-N 3.22Å; L73-Y77 PolarHBondContact O-N 2.88Å; L73-F95 HydrophobicContact CD2-CD1 4.45Å; L73-F95 HydrophobicContact CD2-CD2 4.13Å; L73-F95 HydrophobicContact CD2-CE1 4.01Å; L73-F95 HydrophobicContact CD2-CE2 3.65Å; L73-F95 HydrophobicContact CD2-CG 4.49Å; L73-F95 HydrophobicContact CD2-CZ 3.59Å; L73-F95 HydrophobicContact CG-CE2 3.94Å; L73-F95 HydrophobicContact CG-CZ 4.1Å; L73-N104 HydrophobicContact CD1-CB 4.34Å; L73-Y107 HydrophobicContact CB-CE1 4.43Å; L73-Y107 HydrophobicContact CD2-CD1 4.07Å; L73-Y107 HydrophobicContact CD2-CE1 4.25Å; L73-V108 HydrophobicContact CD2-CG2 3.38Å
74	D	98.3	Very high	95.7	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-38	177.6	-66.2	-20.4	0	0	0	111.9	Y36 Q40 L43 L55 Q70 V71 Y77 A78	Y36-D74 VanDerWaalsContact CE2-OD2 3.32Å; Y36-D74 WeakPolarHBondContact CE2-OD2 3.4Å; Y36-D74 PolarHBondContact OH-OD2 3.06Å; Q40-D74 PolarHBondContact NE2-OD2 2.66Å; L43-D74 HydrophobicContact CD1-CB 3.92Å; L55-D74 HydrophobicContact CD1-CB 3.71Å; L55-D74 HydrophobicContact CD2-CB 3.9Å; L55-D74 HydrophobicContact CG-CB 4.47Å; Q70-D74 PolarHBondContact NE2-OD1 2.82Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.23Å; V71-D74 PolarHBondContact O-N 3.23Å; D74-Y77 PolarHBondContact O-N 3.32Å; D74-A78 VanDerWaalsContact O-CB 3.26Å; D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 2.93Å
75	L	98.4	Very high	96	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-46.1	172.8	-81.4	170.5	0	0	0	111.3	I52 L55 E56 D59 V71 Q72 Y77 A78 Y79	I52-L75 HydrophobicContact CG2-CD2 4.47Å; L55-L75 HydrophobicContact CB-CD1 4.39Å; L55-L75 HydrophobicContact CB-CD2 3.49Å; L55-L75 VanDerWaalsContact CB-CD2 3.49Å; L55-L75 HydrophobicContact CB-CG 3.69Å; L55-L75 HydrophobicContact CD1-CD2 4.15Å; L55-L75 HydrophobicContact CD1-CG 4.24Å; L55-L75 HydrophobicContact CG-CD2 4.48Å; E56-L75 HydrophobicContact CG-CD2 3.91Å; D59-L75 HydrophobicContact CB-CD1 4.3Å; V71-L75 HydrophobicContact CG1-CD1 4.28Å; V71-L75 WeakPolarHBondContact O-CB 3.35Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.44Å; Q72-L75 PolarHBondContact O-N 2.96Å; L75-Y77 VanDerWaalsContact C-N 3.29Å; L75-Y77 PolarHBondContact O-N 3.35Å; L75-A78 PolarHBondContact O-N 3.38Å; L75-Y79 HydrophobicContact CB-CD2 4.19Å; L75-Y79 HydrophobicContact CB-CE2 3.88Å; L75-Y79 HydrophobicContact CD2-CE2 3.97Å; L75-Y79 HydrophobicContact CG-CE2 4.4Å; L75-Y79 WeakPolarHBondContact O-CB 3.47Å; L75-Y79 WeakPolarHBondContact O-CD2 3.43Å; L75-Y79 VanDerWaalsContact O-CG 3.28Å; L75-Y79 PolarHBondContact O-N 3.32Å
76	I	98.6	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-46.7	176.4	-69.2	166.5	0	0	0	110.4	Q72 L73 Y80 A91 I92 F95 V108 M111	Q72-I76 VanDerWaalsContact O-CG1 3.26Å; Q72-I76 WeakPolarHBondContact O-CG1 3.39Å; Q72-I76 PolarHBondContact O-N 3.29Å; L73-I76 WeakPolarHBondContact O-CB 3.17Å; L73-I76 PolarHBondContact O-N 3.22Å; I76-Y80 WeakPolarHBondContact O-CB 3.34Å; I76-Y80 PolarHBondContact O-N 3.4Å; I76-Y80 VanDerWaalsContact O-N 3.12Å; I76-A91 HydrophobicContact CG1-CB 3.72Å; I76-I92 HydrophobicContact CB-CG1 4.33Å; I76-I92 HydrophobicContact CD1-CB 4.45Å; I76-I92 HydrophobicContact CD1-CG1 3.78Å; I76-I92 HydrophobicContact CG1-CG1 3.83Å; I76-I92 HydrophobicContact CG2-CD1 3.86Å; I76-I92 HydrophobicContact CG2-CG1 3.56Å; I76-F95 HydrophobicContact CD1-CB 4.17Å; I76-V108 HydrophobicContact CD1-CG1 4.2Å; I76-V108 HydrophobicContact CD1-CG2 4.36Å; I76-M111 HydrophobicContact CG2-CB 3.81Å; I76-M111 HydrophobicContact CG2-CE 4.23Å; I76-M111 HydrophobicContact CG2-CG 4.05Å
77	Y	98.5	Very high	96.8	Very high	77 Å²	77	45.2 Å²	45.2	30%	0.302	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-50.3	176.7	177	-109	0	0	0	112	L43 W48 L73 D74 L75 Y80 K81 Y107	L43-Y77 HydrophobicContact CD2-CD1 4.18Å; W48-Y77 HydrophobicContact CE3-CE1 4.22Å; W48-Y77 AromaticContact CH2-CE1 3.79Å; W48-Y77 HydrophobicContact CH2-CE1 3.79Å; W48-Y77 WeakPolarHBondContact CH2-OH 3.42Å; W48-Y77 HydrophobicContact CZ3-CD1 4.28Å; W48-Y77 AromaticContact CZ3-CE1 3.44Å; W48-Y77 HydrophobicContact CZ3-CE1 3.44Å; W48-Y77 VanDerWaalsContact CZ3-CE1 3.44Å; L73-Y77 PolarHBondContact O-N 2.88Å; D74-Y77 PolarHBondContact O-N 3.32Å; L75-Y77 VanDerWaalsContact C-N 3.29Å; L75-Y77 PolarHBondContact O-N 3.35Å; Y77-Y80 PolarHBondContact O-N 3.4Å; Y77-K81 HydrophobicContact CD2-CG 4.14Å; Y77-K81 HydrophobicContact CE1-CG 4.14Å; Y77-K81 HydrophobicContact CE2-CD 4.17Å; Y77-K81 HydrophobicContact CE2-CG 3.74Å; Y77-K81 WeakPolarHBondContact O-CB 3.16Å; Y77-K81 VanDerWaalsContact O-CG 3.31Å; Y77-K81 WeakPolarHBondContact O-CG 3.03Å; Y77-K81 PolarHBondContact O-N 3.25Å; Y77-K81 WeakPolarHBondContact OH-CE 3.36Å; Y77-Y107 WeakPolarHBondContact CB-OH 3.5Å
78	A	98.5	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-45.1	-176.1	0	0	0	0	0	112	L43 I52 D74 L75 Y80 K81 N82	L43-A78 HydrophobicContact CD2-CB 3.79Å; I52-A78 HydrophobicContact CD1-CB 4.18Å; I52-A78 HydrophobicContact CG1-CB 3.6Å; D74-A78 VanDerWaalsContact O-CB 3.26Å; D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 2.93Å; L75-A78 PolarHBondContact O-N 3.38Å; A78-Y80 VanDerWaalsContact C-N 3.35Å; A78-Y80 PolarHBondContact O-N 3.38Å; A78-K81 PolarHBondContact O-N 3.24Å; A78-N82 VanDerWaalsContact O-CB 3.25Å; A78-N82 WeakPolarHBondContact O-CB 3.48Å; A78-N82 PolarHBondContact O-N 2.93Å
79	Y	98.4	Very high	97.4	Very high	19 Å²	19	41.3 Å²	41.3	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.1	-70.4	-46.9	0	0	0	111.5	I52 E56 L75 K81 N82 A83 D84 L87 A91	I52-Y79 HydrophobicContact CB-CE1 4.48Å; I52-Y79 HydrophobicContact CD1-CD1 3.69Å; I52-Y79 HydrophobicContact CD1-CE1 4.12Å; I52-Y79 HydrophobicContact CG1-CD1 4.01Å; I52-Y79 HydrophobicContact CG1-CE1 4.1Å; I52-Y79 HydrophobicContact CG2-CD1 4.24Å; I52-Y79 HydrophobicContact CG2-CE1 3.52Å; E56-Y79 WeakPolarHBondContact CG-OH 3.38Å; E56-Y79 PolarHBondContact OE1-OH 2.96Å; L75-Y79 HydrophobicContact CB-CD2 4.19Å; L75-Y79 HydrophobicContact CB-CE2 3.88Å; L75-Y79 HydrophobicContact CD2-CE2 3.97Å; L75-Y79 HydrophobicContact CG-CE2 4.4Å; L75-Y79 WeakPolarHBondContact O-CB 3.47Å; L75-Y79 WeakPolarHBondContact O-CD2 3.43Å; L75-Y79 VanDerWaalsContact O-CG 3.28Å; L75-Y79 PolarHBondContact O-N 3.32Å; Y79-K81 PolarHBondContact O-N 3.14Å; Y79-N82 PolarHBondContact O-N 2.91Å; Y79-A83 PolarHBondContact O-N 3.2Å; Y79-D84 HydrophobicContact CD1-CB 3.9Å; Y79-D84 HydrophobicContact CG-CB 4.42Å; Y79-D84 PolarHBondContact O-N 3.41Å; Y79-L87 HydrophobicContact CD1-CB 3.75Å; Y79-L87 HydrophobicContact CD1-CD1 4.02Å; Y79-L87 HydrophobicContact CD2-CB 4.02Å; Y79-L87 HydrophobicContact CE1-CB 3.87Å; Y79-L87 HydrophobicContact CE1-CD1 3.67Å; Y79-L87 HydrophobicContact CE1-CG 4.39Å; Y79-L87 HydrophobicContact CE2-CB 4.13Å; Y79-L87 HydrophobicContact CG-CB 3.84Å; Y79-A91 HydrophobicContact CD2-CB 4.26Å; Y79-A91 HydrophobicContact CE2-CB 4.23Å
80	Y	98.1	Very high	97.6	Very high	58 Å²	58	40.3 Å²	40.3	23%	0.227	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-46.7	176.5	174.1	-99.5	0	0	0	111.6	I76 Y77 A78 N82 A83 L85 M111 L114 A118	I76-Y80 WeakPolarHBondContact O-CB 3.34Å; I76-Y80 PolarHBondContact O-N 3.4Å; I76-Y80 VanDerWaalsContact O-N 3.12Å; Y77-Y80 PolarHBondContact O-N 3.4Å; A78-Y80 VanDerWaalsContact C-N 3.35Å; A78-Y80 PolarHBondContact O-N 3.38Å; Y80-N82 VanDerWaalsContact C-N 3.33Å; Y80-N82 PolarHBondContact O-N 3.17Å; Y80-A83 PolarHBondContact O-N 3.02Å; Y80-L85 HydrophobicContact CD2-CD2 3.97Å; Y80-L85 HydrophobicContact CE2-CD2 4.46Å; Y80-M111 VanDerWaalsContact CB-CE 3.47Å; Y80-M111 HydrophobicContact CD1-CE 3.66Å; Y80-M111 HydrophobicContact CD2-CE 4.19Å; Y80-M111 HydrophobicContact CE1-CE 4.46Å; Y80-M111 HydrophobicContact CG-CE 3.49Å; Y80-M111 VanDerWaalsContact CG-CE 3.49Å; Y80-L114 HydrophobicContact CE2-CB 3.83Å; Y80-A118 HydrophobicContact CE2-CB 4.04Å
81	K	97.3	Very high	97.6	Very high	99 Å²	99	37.2 Å²	37.2	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-29.7	179.7	-69.4	-65.1	-175.2	175.7	0	113.5	W48 Y77 A78 Y79 A83	W48-K81 HydrophobicContact CD2-CB 3.64Å; W48-K81 HydrophobicContact CD2-CG 4.42Å; W48-K81 HydrophobicContact CE3-CB 4.23Å; W48-K81 HydrophobicContact CG-CB 3.83Å; W48-K81 HydrophobicContact CZ2-CB 4.13Å; W48-K81 HydrophobicContact CZ2-CG 4.22Å; Y77-K81 HydrophobicContact CD2-CG 4.14Å; Y77-K81 HydrophobicContact CE1-CG 4.14Å; Y77-K81 HydrophobicContact CE2-CD 4.17Å; Y77-K81 HydrophobicContact CE2-CG 3.74Å; Y77-K81 WeakPolarHBondContact O-CB 3.16Å; Y77-K81 VanDerWaalsContact O-CG 3.31Å; Y77-K81 WeakPolarHBondContact O-CG 3.03Å; Y77-K81 PolarHBondContact O-N 3.25Å; Y77-K81 WeakPolarHBondContact OH-CE 3.36Å; A78-K81 PolarHBondContact O-N 3.24Å; Y79-K81 PolarHBondContact O-N 3.14Å; K81-A83 PolarHBondContact O-N 3.08Å
82	N	96.3	Very high	97.7	Very high	55 Å²	55	37.1 Å²	37.1	29%	0.294	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.8	174.8	-157.9	51.8	0	0	0	113.3	W48 I52 A78 Y79 Y80 D84	W48-N82 HydrophobicContact CB-CB 3.76Å; W48-N82 HydrophobicContact CG-CB 4.49Å; I52-N82 HydrophobicContact CD1-CB 3.87Å; A78-N82 VanDerWaalsContact O-CB 3.25Å; A78-N82 WeakPolarHBondContact O-CB 3.48Å; A78-N82 PolarHBondContact O-N 2.93Å; Y79-N82 PolarHBondContact O-N 2.91Å; Y80-N82 VanDerWaalsContact C-N 3.33Å; Y80-N82 PolarHBondContact O-N 3.17Å; N82-D84 PolarHBondContact ND2-OD2 3.4Å; N82-D84 PolarHBondContact O-N 3.13Å
83	A	95.3	Very high	97.7	Very high	73 Å²	73	39.6 Å²	39.6	60%	0.603	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	21.7	-172.3	0	0	0	0	0	114.8	Y79 Y80 K81 L85	Y79-A83 PolarHBondContact O-N 3.2Å; Y80-A83 PolarHBondContact O-N 3.02Å; K81-A83 PolarHBondContact O-N 3.08Å; A83-L85 PolarHBondContact O-N 2.79Å
84	D	96.4	Very high	97.7	Very high	51 Å²	51	43 Å²	43	27%	0.273	23%	0.231	S	C	.	.			trans	-81.9	53.9	170.5	-64.1	-34.3	0	0	0	110.3	Y79 N82 L87 A88	Y79-D84 HydrophobicContact CD1-CB 3.9Å; Y79-D84 HydrophobicContact CG-CB 4.42Å; Y79-D84 PolarHBondContact O-N 3.41Å; N82-D84 PolarHBondContact ND2-OD2 3.4Å; N82-D84 PolarHBondContact O-N 3.13Å; D84-L87 HydrophobicContact CB-CB 4.25Å; D84-L87 HydrophobicContact CB-CD1 4.18Å; D84-L87 WeakPolarHBondContact O-CB 2.9Å; D84-L87 PolarHBondContact O-N 3.09Å; D84-A88 PolarHBondContact O-N 3.3Å
85	L	96.4	Very high	97.6	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-41.3	-168.7	-52.9	179.9	0	0	0	113.5	Y80 A83 L87 A88 Q89 T115 A118 L119	Y80-L85 HydrophobicContact CD2-CD2 3.97Å; Y80-L85 HydrophobicContact CE2-CD2 4.46Å; A83-L85 PolarHBondContact O-N 2.79Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.49Å; L85-A88 WeakPolarHBondContact O-CB 3.44Å; L85-A88 PolarHBondContact O-N 2.63Å; L85-Q89 WeakPolarHBondContact O-CG 3.15Å; L85-Q89 PolarHBondContact O-N 3.23Å; L85-T115 HydrophobicContact CB-CG2 3.85Å; L85-T115 HydrophobicContact CD2-CG2 4.19Å; L85-T115 WeakPolarHBondContact O-CG2 3.16Å; L85-A118 HydrophobicContact CD1-CB 3.65Å; L85-A118 HydrophobicContact CD2-CB 4.06Å; L85-L119 HydrophobicContact CB-CD1 4.45Å; L85-L119 HydrophobicContact CB-CD2 3.79Å; L85-L119 HydrophobicContact CB-CG 3.9Å; L85-L119 HydrophobicContact CD1-CB 4.48Å; L85-L119 HydrophobicContact CD1-CD2 3.85Å; L85-L119 HydrophobicContact CD1-CG 3.79Å; L85-L119 HydrophobicContact CG-CD2 4.46Å
86	P	96.7	Very high	97.6	Very high	88 Å²	88	44 Å²	44	57%	0.571	24%	0.236	S	C	*	.	H	α-helix	trans	-61.8	-35.8	175.1	-24.5	36.1	0	0	0	113.7	Q89 A90	P86-Q89 PolarHBondContact O-N 3.34Å; P86-A90 PolarHBondContact O-N 3.45Å; P86-A90 VanDerWaalsContact O-N 3.08Å
87	L	97.7	Very high	97.5	Very high	86 Å²	86	52.5 Å²	52.5	45%	0.45	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-39.8	175.9	-65.9	179.2	0	0	0	111	Y79 D84 L85 Q89 A90 A91	Y79-L87 HydrophobicContact CD1-CB 3.75Å; Y79-L87 HydrophobicContact CD1-CD1 4.02Å; Y79-L87 HydrophobicContact CD2-CB 4.02Å; Y79-L87 HydrophobicContact CE1-CB 3.87Å; Y79-L87 HydrophobicContact CE1-CD1 3.67Å; Y79-L87 HydrophobicContact CE1-CG 4.39Å; Y79-L87 HydrophobicContact CE2-CB 4.13Å; Y79-L87 HydrophobicContact CG-CB 3.84Å; D84-L87 HydrophobicContact CB-CB 4.25Å; D84-L87 HydrophobicContact CB-CD1 4.18Å; D84-L87 WeakPolarHBondContact O-CB 2.9Å; D84-L87 PolarHBondContact O-N 3.09Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.49Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.34Å; L87-A90 PolarHBondContact O-N 3.13Å; L87-A91 WeakPolarHBondContact O-CB 3.2Å; L87-A91 PolarHBondContact O-N 3.03Å
88	A	98.3	Very high	97.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-46.8	172.3	0	0	0	0	0	111.1	D84 L85 A90 A91 I92 T115	D84-A88 PolarHBondContact O-N 3.3Å; L85-A88 WeakPolarHBondContact O-CB 3.44Å; L85-A88 PolarHBondContact O-N 2.63Å; A88-A90 PolarHBondContact O-N 3.02Å; A88-A91 PolarHBondContact O-N 3.43Å; A88-I92 WeakPolarHBondContact O-CB 3.38Å; A88-I92 WeakPolarHBondContact O-CD1 3.39Å; A88-I92 WeakPolarHBondContact O-CG1 3.4Å; A88-I92 PolarHBondContact O-N 3.33Å; A88-T115 HydrophobicContact CB-CG2 4.07Å
89	Q	97.8	Very high	97.3	Very high	45 Å²	45	54.6 Å²	54.6	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-45.9	177	-68.4	-172.4	-38.9	0	0	112.5	L85 P86 L87 A91 I92 D93 T115 N116	L85-Q89 WeakPolarHBondContact O-CG 3.15Å; L85-Q89 PolarHBondContact O-N 3.23Å; P86-Q89 PolarHBondContact O-N 3.34Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.34Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 3.5Å; Q89-I92 WeakPolarHBondContact O-CB 3.38Å; Q89-I92 PolarHBondContact O-N 3.36Å; Q89-D93 WeakPolarHBondContact O-CB 3.46Å; Q89-D93 PolarHBondContact O-N 3.32Å; Q89-T115 HydrophobicContact CG-CG2 3.46Å; Q89-T115 VanDerWaalsContact CG-CG2 3.46Å; Q89-N116 PolarHBondContact NE2-OD1 3.28Å
90	A	98	Very high	97.2	Very high	58 Å²	58	57.3 Å²	57.3	48%	0.479	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-42.1	178.2	0	0	0	0	0	112.1	P86 L87 A88 R94	P86-A90 PolarHBondContact O-N 3.45Å; P86-A90 VanDerWaalsContact O-N 3.08Å; L87-A90 PolarHBondContact O-N 3.13Å; A88-A90 PolarHBondContact O-N 3.02Å; A90-R94 WeakPolarHBondContact O-CB 3.03Å; A90-R94 PolarHBondContact O-N 3.05Å
91	A	98.1	Very high	97	Very high	10 Å²	10	60.9 Å²	60.9	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.4	0	0	0	0	0	112	I76 Y79 L87 A88 Q89 R94 F95	I76-A91 HydrophobicContact CG1-CB 3.72Å; Y79-A91 HydrophobicContact CD2-CB 4.26Å; Y79-A91 HydrophobicContact CE2-CB 4.23Å; L87-A91 WeakPolarHBondContact O-CB 3.2Å; L87-A91 PolarHBondContact O-N 3.03Å; A88-A91 PolarHBondContact O-N 3.43Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 3.5Å; A91-R94 PolarHBondContact O-N 3.47Å; A91-F95 WeakPolarHBondContact O-CB 3.44Å; A91-F95 PolarHBondContact O-N 2.85Å
92	I	98.5	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-51.1	174.9	-73.7	164.2	0	0	0	111.1	I76 A88 Q89 R94 F95 I96 V108 M111 R112	I76-I92 HydrophobicContact CB-CG1 4.33Å; I76-I92 HydrophobicContact CD1-CB 4.45Å; I76-I92 HydrophobicContact CD1-CG1 3.78Å; I76-I92 HydrophobicContact CG1-CG1 3.83Å; I76-I92 HydrophobicContact CG2-CD1 3.86Å; I76-I92 HydrophobicContact CG2-CG1 3.56Å; A88-I92 WeakPolarHBondContact O-CB 3.38Å; A88-I92 WeakPolarHBondContact O-CD1 3.39Å; A88-I92 WeakPolarHBondContact O-CG1 3.4Å; A88-I92 PolarHBondContact O-N 3.33Å; Q89-I92 WeakPolarHBondContact O-CB 3.38Å; Q89-I92 PolarHBondContact O-N 3.36Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 2.87Å; I92-F95 PolarHBondContact O-N 3.34Å; I92-F95 VanDerWaalsContact O-N 3.16Å; I92-I96 HydrophobicContact CG2-CD1 3.79Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 3.25Å; I92-V108 HydrophobicContact CB-CG1 4.29Å; I92-V108 HydrophobicContact CG1-CG1 4.28Å; I92-V108 HydrophobicContact CG2-CG1 3.83Å; I92-M111 HydrophobicContact CD1-CB 4.07Å; I92-R112 HydrophobicContact CD1-CB 4.29Å; I92-R112 HydrophobicContact CG2-CB 3.79Å; I92-R112 HydrophobicContact CG2-CG 3.8Å
93	D	98.1	Very high	97	Very high	68 Å²	68	60.2 Å²	60.2	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-40.1	-179.1	-82.4	-33.9	0	0	0	111.8	Q89 R97 R112	Q89-D93 WeakPolarHBondContact O-CB 3.46Å; Q89-D93 PolarHBondContact O-N 3.32Å; D93-R97 VanDerWaalsContact O-CB 3.3Å; D93-R97 WeakPolarHBondContact O-CB 3.2Å; D93-R97 PolarHBondContact O-N 3.47Å; D93-R97 VanDerWaalsContact O-N 3.16Å; D93-R112 IonicContact OD1-CZ 3.82Å; D93-R112 IonicContact OD1-NH1 2.63Å; D93-R112 PolarHBondContact OD1-NH1 3.17Å; D93-R112 IonicContact OD1-NH2 3.56Å; D93-R112 PolarHBondContact OD1-NH2 3.46Å; D93-R112 IonicContact OD2-NH2 2.87Å; D93-R112 PolarHBondContact OD2-NH2 3.3Å
94	R	97.2	Very high	97.1	Very high	79 Å²	79	60 Å²	60	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-47.4	172.8	-175.1	178.1	70.8	164.8	3.4	111	D59 A90 A91 I92 R97 L98	D59-R94 IonicContact OD1-NH2 2.66Å; D59-R94 IonicContact OD2-CZ 3.87Å; D59-R94 VanDerWaalsContact OD2-CZ 3.27Å; D59-R94 IonicContact OD2-NH1 3.31Å; D59-R94 PolarHBondContact OD2-NH1 3.47Å; D59-R94 IonicContact OD2-NH2 2.89Å; D59-R94 PolarHBondContact OD2-NH2 3.46Å; A90-R94 WeakPolarHBondContact O-CB 3.03Å; A90-R94 PolarHBondContact O-N 3.05Å; A91-R94 PolarHBondContact O-N 3.47Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 2.87Å; R94-R97 PolarHBondContact O-N 2.89Å; R94-L98 HydrophobicContact CG-CD1 3.77Å; R94-L98 HydrophobicContact CG-CG 4.44Å; R94-L98 WeakPolarHBondContact O-CB 3.31Å; R94-L98 VanDerWaalsContact O-CG 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 3.36Å
95	F	97.9	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-47.8	-178	-170.4	-82	0	0	0	112.2	Q69 Q72 L73 I76 A91 I92 R97 L98 N99 H102 I105 V108	Q69-F95 HydrophobicContact CB-CE2 4.27Å; Q72-F95 HydrophobicContact CB-CD2 3.71Å; Q72-F95 HydrophobicContact CB-CE2 4.21Å; L73-F95 HydrophobicContact CD2-CD1 4.45Å; L73-F95 HydrophobicContact CD2-CD2 4.13Å; L73-F95 HydrophobicContact CD2-CE1 4.01Å; L73-F95 HydrophobicContact CD2-CE2 3.65Å; L73-F95 HydrophobicContact CD2-CG 4.49Å; L73-F95 HydrophobicContact CD2-CZ 3.59Å; L73-F95 HydrophobicContact CG-CE2 3.94Å; L73-F95 HydrophobicContact CG-CZ 4.1Å; I76-F95 HydrophobicContact CD1-CB 4.17Å; A91-F95 WeakPolarHBondContact O-CB 3.44Å; A91-F95 PolarHBondContact O-N 2.85Å; I92-F95 PolarHBondContact O-N 3.34Å; I92-F95 VanDerWaalsContact O-N 3.16Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.41Å; F95-L98 PolarHBondContact O-N 2.97Å; F95-N99 HydrophobicContact CD1-CB 4.36Å; F95-N99 HydrophobicContact CE1-CB 4.02Å; F95-N99 HydrophobicContact CZ-CB 4.21Å; F95-N99 PolarHBondContact O-N 2.88Å; F95-N99 PolarHBondContact O-ND2 2.97Å; F95-H102 HydrophobicContact CE1-CB 3.95Å; F95-H102 AromaticContact CE1-CG 3.97Å; F95-H102 HydrophobicContact CZ-CB 4.16Å; F95-H102 AromaticContact CZ-CD2 3.99Å; F95-H102 AromaticContact CZ-CG 3.72Å; F95-H102 AromaticContact CZ-ND1 3.79Å; F95-I105 HydrophobicContact CD1-CD1 4.3Å; F95-I105 HydrophobicContact CE1-CD1 4.39Å; F95-V108 HydrophobicContact CB-CG1 4.43Å; F95-V108 HydrophobicContact CD1-CB 4.31Å; F95-V108 HydrophobicContact CD1-CG1 4.12Å; F95-V108 HydrophobicContact CD1-CG2 3.67Å; F95-V108 HydrophobicContact CE1-CG2 3.81Å; F95-V108 HydrophobicContact CG-CG2 4.31Å
96	I	97.4	Very high	97.2	Very high	39 Å²	39	57.8 Å²	57.8	20%	0.2	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-42.7	179.3	-67.4	170.6	0	0	0	110.7	I92 P100 I105 V108	I92-I96 HydrophobicContact CG2-CD1 3.79Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 3.25Å; I96-P100 WeakPolarHBondContact O-CA 3.3Å; I96-I105 HydrophobicContact CB-CD1 4.32Å; I96-I105 HydrophobicContact CG1-CD1 3.84Å; I96-V108 HydrophobicContact CD1-CG1 4.04Å; I96-V108 HydrophobicContact CG1-CG1 3.67Å
97	R	97.1	Very high	97.3	Very high	178 Å²	178	55.2 Å²	55.2	67%	0.672	30%	0.295	S	S	*	.	H	α-helix	trans	-65.7	-39.4	180	179.2	172.4	56	92.3	0.4	112.6	D93 R94 F95	D93-R97 VanDerWaalsContact O-CB 3.3Å; D93-R97 WeakPolarHBondContact O-CB 3.2Å; D93-R97 PolarHBondContact O-N 3.47Å; D93-R97 VanDerWaalsContact O-N 3.16Å; R94-R97 PolarHBondContact O-N 2.89Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.41Å
98	L	96.1	Very high	97.4	Very high	94 Å²	94	51.1 Å²	51.1	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-84.8	-29.8	-177.2	-65.1	178	0	0	0	113	R94 F95 P100	R94-L98 HydrophobicContact CG-CD1 3.77Å; R94-L98 HydrophobicContact CG-CG 4.44Å; R94-L98 WeakPolarHBondContact O-CB 3.31Å; R94-L98 VanDerWaalsContact O-CG 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 3.36Å; F95-L98 PolarHBondContact O-N 2.97Å; L98-P100 VanDerWaalsContact C-CD 3.48Å
99	N	96.1	Very high	97.4	Very high	26 Å²	26	53 Å²	53	14%	0.139	28%	0.282	C	S	.	.			trans	-131.8	55.6	-172.5	-46.7	-83.4	0	0	0	112.4	Q69 F95 T101 H102	Q69-N99 PolarHBondContact NE2-OD1 2.8Å; F95-N99 HydrophobicContact CD1-CB 4.36Å; F95-N99 HydrophobicContact CE1-CB 4.02Å; F95-N99 HydrophobicContact CZ-CB 4.21Å; F95-N99 PolarHBondContact O-N 2.88Å; F95-N99 PolarHBondContact O-ND2 2.97Å; N99-T101 PolarHBondContact O-N 3.2Å; N99-T101 VanDerWaalsContact O-N 3.1Å; N99-H102 HydrophobicContact CB-CB 3.96Å; N99-H102 WeakPolarHBondContact O-CB 3.15Å; N99-H102 PolarHBondContact O-N 3.39Å; N99-H102 VanDerWaalsContact O-N 3.11Å
100	P	95.6	Very high	97.4	Very high	77 Å²	77	52.2 Å²	52.2	50%	0.5	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.4	-172.2	26.1	-35.9	0	0	0	114.3	I96 L98	I96-P100 WeakPolarHBondContact O-CA 3.3Å; L98-P100 VanDerWaalsContact C-CD 3.48Å
101	T	95.8	Very high	97.4	Very high	133 Å²	133	49.8 Å²	49.8	82%	0.816	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	15.4	-179.4	62.3	0	0	0	0	113	N99	N99-T101 PolarHBondContact O-N 3.2Å; N99-T101 VanDerWaalsContact O-N 3.1Å
102	H	96.7	Very high	97.5	Very high	28 Å²	28	52.4 Å²	52.4	13%	0.13	26%	0.264	C	S	.	.			trans	-62.4	140.6	180	-171.1	-94.8	0	0	0	111.1	Q69 F95 N99 N104 I105	Q69-H102 PolarHBondContact OE1-CD2 2.87Å; F95-H102 HydrophobicContact CE1-CB 3.95Å; F95-H102 AromaticContact CE1-CG 3.97Å; F95-H102 HydrophobicContact CZ-CB 4.16Å; F95-H102 AromaticContact CZ-CD2 3.99Å; F95-H102 AromaticContact CZ-CG 3.72Å; F95-H102 AromaticContact CZ-ND1 3.79Å; N99-H102 HydrophobicContact CB-CB 3.96Å; N99-H102 WeakPolarHBondContact O-CB 3.15Å; N99-H102 PolarHBondContact O-N 3.39Å; N99-H102 VanDerWaalsContact O-N 3.11Å; H102-N104 PolarHBondContact ND1-N 2.89Å; H102-N104 PolarHBondContact O-N 3.12Å; H102-N104 VanDerWaalsContact O-N 3.13Å; H102-I105 VanDerWaalsContact O-CB 3.27Å; H102-I105 WeakPolarHBondContact O-CB 3.39Å; H102-I105 VanDerWaalsContact O-CG2 3.26Å; H102-I105 WeakPolarHBondContact O-CG2 3.38Å; H102-I105 PolarHBondContact O-N 3.45Å
103	P	96.2	Very high	97.4	Very high	112 Å²	112	52.4 Å²	52.4	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.7	-179.4	-28.5	36	0	0	0	114.5
104	N	96.7	Very high	97.4	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	25.2	179	-56.3	-27.2	0	0	0	113.3	L73 H102 D106 Y107 V108	L73-N104 HydrophobicContact CD1-CB 4.34Å; H102-N104 PolarHBondContact ND1-N 2.89Å; H102-N104 PolarHBondContact O-N 3.12Å; H102-N104 VanDerWaalsContact O-N 3.13Å; N104-D106 VanDerWaalsContact C-OD1 3.28Å; N104-D106 WeakPolarHBondContact CA-OD1 3.44Å; N104-D106 PolarHBondContact O-N 2.71Å; N104-Y107 WeakPolarHBondContact O-CB 3.4Å; N104-Y107 PolarHBondContact O-N 2.88Å; N104-V108 PolarHBondContact O-N 2.95Å
105	I	98	Very high	97.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-28.6	179.4	-168.1	63.9	0	0	0	112	F95 I96 H102 V108 M109 Y154	F95-I105 HydrophobicContact CD1-CD1 4.3Å; F95-I105 HydrophobicContact CE1-CD1 4.39Å; I96-I105 HydrophobicContact CB-CD1 4.32Å; I96-I105 HydrophobicContact CG1-CD1 3.84Å; H102-I105 VanDerWaalsContact O-CB 3.27Å; H102-I105 WeakPolarHBondContact O-CB 3.39Å; H102-I105 VanDerWaalsContact O-CG2 3.26Å; H102-I105 WeakPolarHBondContact O-CG2 3.38Å; H102-I105 PolarHBondContact O-N 3.45Å; I105-V108 PolarHBondContact O-N 3.03Å; I105-M109 HydrophobicContact CG1-CE 4.2Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.28Å; I105-Y154 HydrophobicContact CG2-CE1 3.73Å; I105-Y154 HydrophobicContact CG2-CE2 4.14Å; I105-Y154 VanDerWaalsContact CG2-CZ 3.4Å; I105-Y154 WeakPolarHBondContact CG2-OH 3.36Å
106	D	98.2	Very high	97.4	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-42.2	173.4	65.3	-31.3	0	0	0	112.1	N104 V108 M109 Y110 L150 Y154 S157 Y159	N104-D106 VanDerWaalsContact C-OD1 3.28Å; N104-D106 WeakPolarHBondContact CA-OD1 3.44Å; N104-D106 PolarHBondContact O-N 2.71Å; D106-V108 VanDerWaalsContact C-N 3.31Å; D106-V108 PolarHBondContact O-N 3.4Å; D106-M109 PolarHBondContact O-N 3Å; D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 3.4Å; D106-L150 HydrophobicContact CB-CD1 3.77Å; D106-L150 WeakPolarHBondContact O-CD1 3.42Å; D106-Y154 HydrophobicContact CB-CD1 4.25Å; D106-Y154 HydrophobicContact CB-CD2 4.23Å; D106-Y154 HydrophobicContact CB-CG 3.93Å; D106-S157 VanDerWaalsContact OD2-CB 3.22Å; D106-S157 WeakPolarHBondContact OD2-CB 3.23Å; D106-S157 PolarHBondContact OD2-OG 3.14Å; D106-Y159 HydrophobicContact CB-CD2 4.49Å
107	Y	98.4	Very high	97.3	Very high	34 Å²	34	45.6 Å²	45.6	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-45	171	167.9	-108.9	0	0	0	111.5	L73 Y77 N104 Y110 M111 Y159	L73-Y107 HydrophobicContact CB-CE1 4.43Å; L73-Y107 HydrophobicContact CD2-CD1 4.07Å; L73-Y107 HydrophobicContact CD2-CE1 4.25Å; Y77-Y107 WeakPolarHBondContact CB-OH 3.5Å; N104-Y107 WeakPolarHBondContact O-CB 3.4Å; N104-Y107 PolarHBondContact O-N 2.88Å; Y107-Y110 WeakPolarHBondContact O-CB 3.26Å; Y107-Y110 PolarHBondContact O-N 3.16Å; Y107-M111 HydrophobicContact CD1-CG 4.44Å; Y107-M111 HydrophobicContact CD2-CG 3.98Å; Y107-M111 HydrophobicContact CE1-CG 3.95Å; Y107-M111 HydrophobicContact CE2-CG 3.44Å; Y107-M111 VanDerWaalsContact CE2-CG 3.44Å; Y107-M111 HydrophobicContact CE2-SD 3.75Å; Y107-M111 HydrophobicContact CG-CG 4.45Å; Y107-M111 VanDerWaalsContact CZ-CG 3.41Å; Y107-M111 WeakPolarHBondContact O-CG 3.47Å; Y107-M111 PolarHBondContact O-N 3.31Å; Y107-Y159 VanDerWaalsContact CB-CE2 3.47Å; Y107-Y159 HydrophobicContact CD2-CE1 4.01Å; Y107-Y159 HydrophobicContact CD2-CE2 4.2Å; Y107-Y159 AromaticContact CD2-CZ 3.59Å; Y107-Y159 VanDerWaalsContact CD2-OH 3.3Å; Y107-Y159 WeakPolarHBondContact CD2-OH 3.3Å; Y107-Y159 HydrophobicContact CG-CE2 4.33Å
108	V	98.5	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-39.9	-178.1	178.4	0	0	0	0	111.3	L73 I76 I92 F95 I96 N104 I105 D106 Y110 M111 R112	L73-V108 HydrophobicContact CD2-CG2 3.38Å; I76-V108 HydrophobicContact CD1-CG1 4.2Å; I76-V108 HydrophobicContact CD1-CG2 4.36Å; I92-V108 HydrophobicContact CB-CG1 4.29Å; I92-V108 HydrophobicContact CG1-CG1 4.28Å; I92-V108 HydrophobicContact CG2-CG1 3.83Å; F95-V108 HydrophobicContact CB-CG1 4.43Å; F95-V108 HydrophobicContact CD1-CB 4.31Å; F95-V108 HydrophobicContact CD1-CG1 4.12Å; F95-V108 HydrophobicContact CD1-CG2 3.67Å; F95-V108 HydrophobicContact CE1-CG2 3.81Å; F95-V108 HydrophobicContact CG-CG2 4.31Å; I96-V108 HydrophobicContact CD1-CG1 4.04Å; I96-V108 HydrophobicContact CG1-CG1 3.67Å; N104-V108 PolarHBondContact O-N 2.95Å; I105-V108 PolarHBondContact O-N 3.03Å; D106-V108 VanDerWaalsContact C-N 3.31Å; D106-V108 PolarHBondContact O-N 3.4Å; V108-Y110 VanDerWaalsContact C-N 3.35Å; V108-M111 PolarHBondContact O-N 3.47Å; V108-R112 PolarHBondContact O-N 2.9Å
109	M	98.4	Very high	96.9	Very high	39 Å²	39	36 Å²	36	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-41.2	172	-67.8	-171.4	-176.4	0	0	112	I105 D106 R112 G113 L150 Y154	I105-M109 HydrophobicContact CG1-CE 4.2Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.28Å; D106-M109 PolarHBondContact O-N 3Å; M109-R112 WeakPolarHBondContact O-CB 3.49Å; M109-R112 PolarHBondContact O-N 3.08Å; M109-G113 PolarHBondContact O-N 3.4Å; M109-G113 VanDerWaalsContact O-N 3.16Å; M109-L150 HydrophobicContact CB-CB 4.17Å; M109-L150 HydrophobicContact CB-CD1 4.33Å; M109-Y154 HydrophobicContact CE-CE2 3.74Å; M109-Y154 HydrophobicContact SD-CD2 4.09Å; M109-Y154 HydrophobicContact SD-CE2 3.67Å
110	Y	98.7	Very high	96.6	Very high	29 Å²	29	35.1 Å²	35.1	11%	0.114	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-46.6	175.7	177.3	-111.2	0	0	0	111.9	D106 Y107 V108 R112 G113 L114 F147 L150 Y159 D162 A163	D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 3.4Å; Y107-Y110 WeakPolarHBondContact O-CB 3.26Å; Y107-Y110 PolarHBondContact O-N 3.16Å; V108-Y110 VanDerWaalsContact C-N 3.35Å; Y110-R112 PolarHBondContact O-N 3.23Å; Y110-G113 PolarHBondContact O-N 2.84Å; Y110-L114 HydrophobicContact CD1-CD1 3.92Å; Y110-L114 HydrophobicContact CD1-CG 4.43Å; Y110-L114 HydrophobicContact CE1-CD1 3.34Å; Y110-L114 HydrophobicContact CE1-CG 4.01Å; Y110-L114 HydrophobicContact CE2-CD1 4.45Å; Y110-L114 HydrophobicContact CE2-CD2 4.44Å; Y110-L114 HydrophobicContact CE2-CG 4.26Å; Y110-L114 PolarHBondContact O-N 3.42Å; Y110-F147 HydrophobicContact CD2-CD1 4.22Å; Y110-F147 AromaticContact CD2-CE1 3.65Å; Y110-F147 HydrophobicContact CD2-CE1 3.65Å; Y110-F147 AromaticContact CE2-CE1 3.88Å; Y110-F147 HydrophobicContact CE2-CE1 3.88Å; Y110-L150 HydrophobicContact CD2-CD2 3.97Å; Y110-L150 HydrophobicContact CG-CD2 4.28Å; Y110-Y159 AromaticContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CE1 4.2Å; Y110-Y159 AromaticContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD2-CG 4.47Å; Y110-Y159 AromaticContact CE1-CD1 3.91Å; Y110-Y159 HydrophobicContact CE1-CD1 3.91Å; Y110-Y159 AromaticContact CG-CD1 3.99Å; Y110-Y159 HydrophobicContact CG-CD1 3.99Å; Y110-Y159 AromaticContact CG-CG 3.89Å; Y110-Y159 HydrophobicContact CG-CG 3.89Å; Y110-D162 HydrophobicContact CE2-CB 4.35Å; Y110-D162 PolarHBondContact OH-OD2 2.66Å; Y110-A163 HydrophobicContact CD2-CB 4.32Å
111	M	98.7	Very high	95.8	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-32.6	175.5	-71.7	-59.1	-62.9	0	0	112.4	I76 Y80 I92 Y107 V108 L114 T115	I76-M111 HydrophobicContact CG2-CB 3.81Å; I76-M111 HydrophobicContact CG2-CE 4.23Å; I76-M111 HydrophobicContact CG2-CG 4.05Å; Y80-M111 VanDerWaalsContact CB-CE 3.47Å; Y80-M111 HydrophobicContact CD1-CE 3.66Å; Y80-M111 HydrophobicContact CD2-CE 4.19Å; Y80-M111 HydrophobicContact CE1-CE 4.46Å; Y80-M111 HydrophobicContact CG-CE 3.49Å; Y80-M111 VanDerWaalsContact CG-CE 3.49Å; I92-M111 HydrophobicContact CD1-CB 4.07Å; Y107-M111 HydrophobicContact CD1-CG 4.44Å; Y107-M111 HydrophobicContact CD2-CG 3.98Å; Y107-M111 HydrophobicContact CE1-CG 3.95Å; Y107-M111 HydrophobicContact CE2-CG 3.44Å; Y107-M111 VanDerWaalsContact CE2-CG 3.44Å; Y107-M111 HydrophobicContact CE2-SD 3.75Å; Y107-M111 HydrophobicContact CG-CG 4.45Å; Y107-M111 VanDerWaalsContact CZ-CG 3.41Å; Y107-M111 WeakPolarHBondContact O-CG 3.47Å; Y107-M111 PolarHBondContact O-N 3.31Å; V108-M111 PolarHBondContact O-N 3.47Å; M111-L114 PolarHBondContact O-N 3.44Å; M111-L114 HydrophobicContact SD-CD1 3.93Å; M111-T115 VanDerWaalsContact O-CB 3.3Å; M111-T115 WeakPolarHBondContact O-CB 3.16Å; M111-T115 PolarHBondContact O-N 3.38Å; M111-T115 PolarHBondContact O-OG1 2.93Å
112	R	98.6	Very high	94.3	Very high	65 Å²	65	31.4 Å²	31.4	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-48.2	173.9	-159.9	-175.3	173	131.5	18.9	111.7	I92 D93 V108 M109 Y110 T115 N116 D146	I92-R112 HydrophobicContact CD1-CB 4.29Å; I92-R112 HydrophobicContact CG2-CB 3.79Å; I92-R112 HydrophobicContact CG2-CG 3.8Å; D93-R112 IonicContact OD1-CZ 3.82Å; D93-R112 IonicContact OD1-NH1 2.63Å; D93-R112 PolarHBondContact OD1-NH1 3.17Å; D93-R112 IonicContact OD1-NH2 3.56Å; D93-R112 PolarHBondContact OD1-NH2 3.46Å; D93-R112 IonicContact OD2-NH2 2.87Å; D93-R112 PolarHBondContact OD2-NH2 3.3Å; V108-R112 PolarHBondContact O-N 2.9Å; M109-R112 WeakPolarHBondContact O-CB 3.49Å; M109-R112 PolarHBondContact O-N 3.08Å; Y110-R112 PolarHBondContact O-N 3.23Å; R112-T115 PolarHBondContact O-N 2.95Å; R112-N116 PolarHBondContact O-N 2.72Å; R112-D146 HydrophobicContact CB-CB 4.36Å; R112-D146 VanDerWaalsContact CD-CG 3.43Å; R112-D146 WeakPolarHBondContact CD-OD1 3.33Å; R112-D146 WeakPolarHBondContact CD-OD2 3.29Å; R112-D146 HydrophobicContact CG-CB 4.43Å; R112-D146 VanDerWaalsContact CG-OD2 3.26Å; R112-D146 WeakPolarHBondContact CG-OD2 3.35Å; R112-D146 IonicContact NE-OD1 3.27Å; R112-D146 PolarHBondContact NE-OD1 3.33Å; R112-D146 IonicContact NE-OD2 2.73Å; R112-D146 PolarHBondContact NE-OD2 3.47Å
113	G	98.3	Very high	92.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-44.7	175.5	0	0	0	0	0	112.1	M109 Y110 T115 N116 M117 A143	M109-G113 PolarHBondContact O-N 3.4Å; M109-G113 VanDerWaalsContact O-N 3.16Å; Y110-G113 PolarHBondContact O-N 2.84Å; G113-T115 PolarHBondContact O-N 3.4Å; G113-N116 PolarHBondContact O-N 3.45Å; G113-M117 WeakPolarHBondContact O-CB 3.39Å; G113-M117 PolarHBondContact O-N 3.02Å; G113-A143 WeakPolarHBondContact O-CB 3.43Å
114	L	97.9	Very high	90.6	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.3	-74.7	-178.2	0	0	0	112.5	Y80 Y110 M111 M117 A118 F147	Y80-L114 HydrophobicContact CE2-CB 3.83Å; Y110-L114 HydrophobicContact CD1-CD1 3.92Å; Y110-L114 HydrophobicContact CD1-CG 4.43Å; Y110-L114 HydrophobicContact CE1-CD1 3.34Å; Y110-L114 HydrophobicContact CE1-CG 4.01Å; Y110-L114 HydrophobicContact CE2-CD1 4.45Å; Y110-L114 HydrophobicContact CE2-CD2 4.44Å; Y110-L114 HydrophobicContact CE2-CG 4.26Å; Y110-L114 PolarHBondContact O-N 3.42Å; M111-L114 PolarHBondContact O-N 3.44Å; M111-L114 HydrophobicContact SD-CD1 3.93Å; L114-M117 PolarHBondContact O-N 2.98Å; L114-A118 WeakPolarHBondContact O-CB 3.26Å; L114-A118 PolarHBondContact O-N 3.46Å; L114-F147 HydrophobicContact CD2-CZ 4.19Å; L114-F147 HydrophobicContact CG-CZ 4.32Å; L114-F147 VanDerWaalsContact N-CZ 3.33Å
115	T	97.6	Very high	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-43.4	-179.3	-57.9	0	0	0	0	111.1	L85 A88 Q89 M111 R112 G113 A118 L119	L85-T115 HydrophobicContact CB-CG2 3.85Å; L85-T115 HydrophobicContact CD2-CG2 4.19Å; L85-T115 WeakPolarHBondContact O-CG2 3.16Å; A88-T115 HydrophobicContact CB-CG2 4.07Å; Q89-T115 HydrophobicContact CG-CG2 3.46Å; Q89-T115 VanDerWaalsContact CG-CG2 3.46Å; M111-T115 VanDerWaalsContact O-CB 3.3Å; M111-T115 WeakPolarHBondContact O-CB 3.16Å; M111-T115 PolarHBondContact O-N 3.38Å; M111-T115 PolarHBondContact O-OG1 2.93Å; R112-T115 PolarHBondContact O-N 2.95Å; G113-T115 PolarHBondContact O-N 3.4Å; T115-A118 PolarHBondContact O-N 3.47Å; T115-L119 WeakPolarHBondContact O-CG 3.34Å; T115-L119 PolarHBondContact O-N 2.76Å
116	N	97.1	Very high	87.2	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-41.2	173.1	-86.9	-47.9	0	0	0	111.9	Q89 R112 G113 A118 L119 D120 H139 A142 A143 D146	Q89-N116 PolarHBondContact NE2-OD1 3.28Å; R112-N116 PolarHBondContact O-N 2.72Å; G113-N116 PolarHBondContact O-N 3.45Å; N116-A118 VanDerWaalsContact C-N 3.32Å; N116-A118 PolarHBondContact O-N 2.9Å; N116-L119 PolarHBondContact O-N 2.79Å; N116-D120 PolarHBondContact O-N 3.38Å; N116-D120 VanDerWaalsContact O-N 3.11Å; N116-H139 WeakPolarHBondContact O-CB 3.23Å; N116-A142 HydrophobicContact CB-CB 4.24Å; N116-A143 HydrophobicContact CB-CB 3.71Å; N116-D146 PolarHBondContact ND2-OD2 3.42Å
117	M	95.1	Very high	85.4	Confident	21 Å²	21	45.4 Å²	45.4	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-37.4	175.9	-170.4	174.1	175.6	0	0	111.9	G113 L114 D120 D121 A143 F147 R166 F169	G113-M117 WeakPolarHBondContact O-CB 3.39Å; G113-M117 PolarHBondContact O-N 3.02Å; L114-M117 PolarHBondContact O-N 2.98Å; M117-D120 WeakPolarHBondContact O-CB 3.41Å; M117-D120 PolarHBondContact O-N 2.83Å; M117-D121 PolarHBondContact O-N 3.38Å; M117-A143 HydrophobicContact CB-CB 4.19Å; M117-F147 HydrophobicContact SD-CE2 4.44Å; M117-R166 HydrophobicContact SD-CB 4.49Å; M117-R166 HydrophobicContact SD-CG 4.2Å; M117-R166 PolarHBondContact SD-NH1 2.85Å; M117-F169 HydrophobicContact CE-CD1 3.61Å; M117-F169 HydrophobicContact CE-CE1 3.58Å
118	A	93.2	Very high	84.1	Confident	28 Å²	28	51 Å²	51	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-34.3	175.3	0	0	0	0	0	112.8	Y80 L85 L114 T115 N116 D120 D121	Y80-A118 HydrophobicContact CE2-CB 4.04Å; L85-A118 HydrophobicContact CD1-CB 3.65Å; L85-A118 HydrophobicContact CD2-CB 4.06Å; L114-A118 WeakPolarHBondContact O-CB 3.26Å; L114-A118 PolarHBondContact O-N 3.46Å; T115-A118 PolarHBondContact O-N 3.47Å; N116-A118 VanDerWaalsContact C-N 3.32Å; N116-A118 PolarHBondContact O-N 2.9Å; A118-D120 PolarHBondContact O-N 2.81Å; A118-D121 PolarHBondContact O-N 3.36Å
119	L	92	Very high	82.8	Confident	44 Å²	44	54.2 Å²	54.2	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-30.1	172.5	-77.1	166.6	0	0	0	112.2	L85 T115 N116 D121 H139	L85-L119 HydrophobicContact CB-CD1 4.45Å; L85-L119 HydrophobicContact CB-CD2 3.79Å; L85-L119 HydrophobicContact CB-CG 3.9Å; L85-L119 HydrophobicContact CD1-CB 4.48Å; L85-L119 HydrophobicContact CD1-CD2 3.85Å; L85-L119 HydrophobicContact CD1-CG 3.79Å; L85-L119 HydrophobicContact CG-CD2 4.46Å; T115-L119 WeakPolarHBondContact O-CG 3.34Å; T115-L119 PolarHBondContact O-N 2.76Å; N116-L119 PolarHBondContact O-N 2.79Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-H139 HydrophobicContact CB-CB 4.1Å
120	D	88.7	Confident	81.5	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-75.8	-18.4	176.9	-164.4	40.5	0	0	0	113	N116 M117 A118 R132 H139 A140 R173	N116-D120 PolarHBondContact O-N 3.38Å; N116-D120 VanDerWaalsContact O-N 3.11Å; M117-D120 WeakPolarHBondContact O-CB 3.41Å; M117-D120 PolarHBondContact O-N 2.83Å; A118-D120 PolarHBondContact O-N 2.81Å; D120-R132 PolarHBondContact O-NH1 3.3Å; D120-H139 HydrophobicContact CB-CB 3.69Å; D120-A140 WeakPolarHBondContact OD2-CB 3.46Å; D120-R173 PolarHBondContact O-NH2 2.73Å; D120-R173 IonicContact OD1-CZ 3.2Å; D120-R173 IonicContact OD1-NE 2.97Å; D120-R173 IonicContact OD1-NH2 2.72Å; D120-R173 PolarHBondContact OD1-NH2 3.28Å; D120-R173 WeakPolarHBondContact OD2-CD 3.22Å; D120-R173 IonicContact OD2-CZ 3.36Å; D120-R173 IonicContact OD2-NE 2.79Å; D120-R173 PolarHBondContact OD2-NE 2.97Å; D120-R173 IonicContact OD2-NH1 2.69Å; D120-R173 PolarHBondContact OD2-NH1 3.18Å; D120-R173 IonicContact OD2-NH2 2.89Å; D120-R173 PolarHBondContact OD2-NH2 3.12Å
121	D	78.9	Confident	80.1	Confident	82 Å²	82	60.1 Å²	60.1	44%	0.439	35%	0.353	S	S	.	.			trans	-104.5	112.3	178.3	-78.1	-10.4	0	0	0	111.1	M117 A118 L119 R173	M117-D121 PolarHBondContact O-N 3.38Å; A118-D121 PolarHBondContact O-N 3.36Å; L119-D121 VanDerWaalsContact C-N 3.3Å; D121-R173 IonicContact OD1-NH1 3.14Å; D121-R173 PolarHBondContact OD1-NH1 2.71Å
122	S	65.2	Low	78.5	Confident	50 Å²	50	61.5 Å²	61.5	35%	0.35	36%	0.358	S	S	.	.			trans	-90.1	110.5	172.5	-68.5	0	0	0	0	107.8	L124 Q125 G126 R132	S122-L124 PolarHBondContact O-N 3.48Å; S122-Q125 PolarHBondContact O-N 3.28Å; S122-G126 PolarHBondContact O-N 3.08Å; S122-R132 VanDerWaalsContact CB-NH1 3.35Å; S122-R132 PolarHBondContact OG-NH1 3.27Å
123	A	57.9	Low	77.1	Confident	95 Å²	95	59 Å²	59	79%	0.785	35%	0.35	S	S	*	.	H	α-helix	trans	-48	-37.9	-174.9	0	0	0	0	0	114.2	F127	A123-F127 PolarHBondContact O-N 3.26Å
124	L	57.4	Low	75.5	Confident	138 Å²	138	64.1 Å²	64.1	72%	0.723	38%	0.377	S	S	*	.	H	α-helix	trans	-65.5	-37.6	176.8	-83.2	154.4	0	0	0	113.1	S122 F128	S122-L124 PolarHBondContact O-N 3.48Å; L124-F128 WeakPolarHBondContact O-CD2 3.44Å
125	Q	59.7	Low	74.7	Confident	58 Å²	58	69.2 Å²	69.2	27%	0.271	40%	0.396	S	S	.	.	H	α-helix	trans	-79.3	-36.1	-175.3	-67.3	-171.5	-29.1	0	0	112.3	S122 F127 F128 G129 V130 R135	S122-Q125 PolarHBondContact O-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.45Å; Q125-F128 PolarHBondContact O-N 2.79Å; Q125-F128 VanDerWaalsContact O-N 3.16Å; Q125-G129 PolarHBondContact O-N 3.27Å; Q125-V130 PolarHBondContact O-N 3.43Å; Q125-R135 VanDerWaalsContact NE2-NH1 3.14Å
126	G	62.1	Low	74.1	Confident	62 Å²	62	73.8 Å²	73.8	64%	0.639	42%	0.421	S	S	*	.	H	α-helix	trans	-60.7	-34.6	173.5	0	0	0	0	0	112.4	S122 F128 G129	S122-G126 PolarHBondContact O-N 3.08Å; G126-F128 VanDerWaalsContact C-N 3.32Å; G126-F128 PolarHBondContact O-N 3.11Å; G126-G129 PolarHBondContact O-N 3.34Å
127	F	62.1	Low	73.8	Confident	173 Å²	173	73.4 Å²	73.4	76%	0.759	42%	0.419	S	S	*	.	H	α-helix	trans	-64.4	-33.8	176.3	-172.1	-95.7	0	0	0	113.2	A123 Q125 G129	A123-F127 PolarHBondContact O-N 3.26Å; Q125-F127 PolarHBondContact O-N 3.45Å; F127-G129 VanDerWaalsContact C-N 3.35Å
128	F	71.1	Confident	73.7	Confident	150 Å²	150	77.7 Å²	77.7	66%	0.658	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	2.6	179.1	-70	-69.9	0	0	0	113.8	L124 Q125 G126 V130	L124-F128 WeakPolarHBondContact O-CD2 3.44Å; Q125-F128 PolarHBondContact O-N 2.79Å; Q125-F128 VanDerWaalsContact O-N 3.16Å; G126-F128 VanDerWaalsContact C-N 3.32Å; G126-F128 PolarHBondContact O-N 3.11Å; F128-V130 HydrophobicContact CB-CG2 3.93Å; F128-V130 PolarHBondContact O-N 2.97Å
129	G	71.3	Confident	73.7	Confident	68 Å²	68	78.8 Å²	78.8	70%	0.701	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	23.4	-179.5	0	0	0	0	0	113.9	Q125 G126 F127 D131	Q125-G129 PolarHBondContact O-N 3.27Å; G126-G129 PolarHBondContact O-N 3.34Å; F127-G129 VanDerWaalsContact C-N 3.35Å; G129-D131 PolarHBondContact O-N 2.9Å
130	V	70	Confident	73.9	Confident	82 Å²	82	76.7 Å²	76.7	50%	0.497	43%	0.428	S	S	.	.			trans	-75.1	119.8	178.9	-179.3	0	0	0	0	108.5	Q125 F128 R132	Q125-V130 PolarHBondContact O-N 3.43Å; F128-V130 HydrophobicContact CB-CG2 3.93Å; F128-V130 PolarHBondContact O-N 2.97Å; V130-R132 PolarHBondContact O-N 3.2Å
131	D	68.4	Low	74.2	Confident	110 Å²	110	81.6 Å²	81.6	59%	0.588	45%	0.446	S	S	*	.			trans	-63.3	132.5	172.6	-169.1	3.5	0	0	0	109.6	G129 S133	G129-D131 PolarHBondContact O-N 2.9Å; D131-S133 VanDerWaalsContact OD1-CB 3.31Å; D131-S133 WeakPolarHBondContact OD1-CB 3.36Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-S133 PolarHBondContact OD1-OG 3.39Å; D131-S133 PolarHBondContact OD2-OG 3.01Å
132	R	66.4	Low	75	Confident	37 Å²	37	79.2 Å²	79.2	14%	0.14	44%	0.437	C	S	.	.			trans	-105.8	5.7	179.1	-64.8	-168.1	69.3	169.3	13.7	112.4	D120 S122 V130 D134 R135	D120-R132 PolarHBondContact O-NH1 3.3Å; S122-R132 VanDerWaalsContact CB-NH1 3.35Å; S122-R132 PolarHBondContact OG-NH1 3.27Å; V130-R132 PolarHBondContact O-N 3.2Å; R132-D134 PolarHBondContact O-N 3.25Å; R132-D134 VanDerWaalsContact O-N 3.13Å; R132-R135 PolarHBondContact O-N 3.43Å; R132-R135 VanDerWaalsContact O-N 3.08Å
133	S	68	Low	76.6	Confident	13 Å²	13	76.9 Å²	76.9	9%	0.091	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.9	-176	56.3	0	0	0	0	113.1	D131 Y177	D131-S133 VanDerWaalsContact OD1-CB 3.31Å; D131-S133 WeakPolarHBondContact OD1-CB 3.36Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-S133 PolarHBondContact OD1-OG 3.39Å; D131-S133 PolarHBondContact OD2-OG 3.01Å; S133-Y177 WeakPolarHBondContact O-CA 3.47Å; S133-Y177 WeakPolarHBondContact O-CB 3.45Å; S133-Y177 WeakPolarHBondContact O-CD2 3.38Å
134	D	65.7	Low	78.4	Confident	106 Å²	106	74.7 Å²	74.7	57%	0.567	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.5	179.8	70.7	-28.7	0	0	0	115.1	R132	R132-D134 PolarHBondContact O-N 3.25Å; R132-D134 VanDerWaalsContact O-N 3.13Å
135	R	80.5	Confident	80.3	Confident	118 Å²	118	70.5 Å²	70.5	45%	0.445	38%	0.376	S	S	.	.	S	Bend	trans	-89	145.8	179.8	-59.7	-173.7	70.5	-179.9	5.7	110.9	Q125 R132 P137 Y177	Q125-R135 VanDerWaalsContact NE2-NH1 3.14Å; R132-R135 PolarHBondContact O-N 3.43Å; R132-R135 VanDerWaalsContact O-N 3.08Å; R135-P137 WeakPolarHBondContact O-CD 3.13Å; R135-Y177 WeakPolarHBondContact O-CD2 3.37Å
136	D	85.6	Confident	82.2	Confident	97 Å²	97	68.2 Å²	68.2	52%	0.519	37%	0.366	S	S	.	.			trans	-52.6	111.8	179.9	-174.5	-3.9	0	0	0	111.4	Q138	D136-Q138 PolarHBondContact O-N 3.25Å; D136-Q138 PolarHBondContact OD1-N 2.97Å
137	P	89.9	Confident	83.9	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.019	34%	0.335	C	S	.	.			trans	-87.6	44.5	-171.8	37.5	-37.4	0	0	0	110.8	R135 H139 A140 R141 L174 Y177	R135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-H139 PolarHBondContact O-N 2.69Å; P137-A140 HydrophobicContact CB-CB 3.82Å; P137-A140 WeakPolarHBondContact O-CB 3.34Å; P137-A140 PolarHBondContact O-N 2.84Å; P137-A140 VanDerWaalsContact O-N 3.12Å; P137-R141 PolarHBondContact O-N 3.35Å; P137-L174 HydrophobicContact CB-CD2 3.85Å; P137-L174 HydrophobicContact CG-CD2 3.64Å; P137-Y177 HydrophobicContact CG-CD1 3.79Å; P137-Y177 HydrophobicContact CG-CD2 4.27Å; P137-Y177 HydrophobicContact CG-CE1 4.37Å; P137-Y177 HydrophobicContact CG-CG 3.72Å
138	Q	93.8	Very high	85.6	Confident	110 Å²	110	57.6 Å²	57.6	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-54.3	-41.3	-176.4	70	173.8	-0.4	0	0	112	D136 R141 A142	D136-Q138 PolarHBondContact O-N 3.25Å; D136-Q138 PolarHBondContact OD1-N 2.97Å; Q138-R141 PolarHBondContact O-N 3.16Å; Q138-A142 PolarHBondContact O-N 3.24Å
139	H	94.2	Very high	86.8	Confident	52 Å²	52	55.8 Å²	55.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-77.2	-35.7	-178.6	-68.5	-57	0	0	0	111.3	N116 L119 D120 P137 R141 A142 A143	N116-H139 WeakPolarHBondContact O-CB 3.23Å; L119-H139 HydrophobicContact CB-CB 4.1Å; D120-H139 HydrophobicContact CB-CB 3.69Å; P137-H139 PolarHBondContact O-N 2.69Å; H139-R141 VanDerWaalsContact C-N 3.33Å; H139-R141 PolarHBondContact O-N 3.41Å; H139-A142 PolarHBondContact O-N 3.27Å; H139-A143 WeakPolarHBondContact O-CB 3Å; H139-A143 PolarHBondContact O-N 2.94Å
140	A	94.3	Very high	88.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-42.5	170.1	0	0	0	0	0	111.8	D120 P137 A143 F144 L170 L174	D120-A140 WeakPolarHBondContact OD2-CB 3.46Å; P137-A140 HydrophobicContact CB-CB 3.82Å; P137-A140 WeakPolarHBondContact O-CB 3.34Å; P137-A140 PolarHBondContact O-N 2.84Å; P137-A140 VanDerWaalsContact O-N 3.12Å; A140-A143 PolarHBondContact O-N 3.04Å; A140-F144 WeakPolarHBondContact O-CB 3.43Å; A140-F144 PolarHBondContact O-N 3.26Å; A140-L170 HydrophobicContact CB-CD2 3.88Å; A140-L174 HydrophobicContact CB-CD2 4.11Å; A140-L174 HydrophobicContact CB-CG 4.5Å
141	R	95.6	Very high	89.5	Confident	110 Å²	110	50.3 Å²	50.3	42%	0.415	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-40.1	178.1	-156.6	-175.1	-65.5	128.5	1.4	111.3	P137 Q138 H139 F144 S145 L174	P137-R141 PolarHBondContact O-N 3.35Å; Q138-R141 PolarHBondContact O-N 3.16Å; H139-R141 VanDerWaalsContact C-N 3.33Å; H139-R141 PolarHBondContact O-N 3.41Å; R141-F144 PolarHBondContact O-N 3.34Å; R141-S145 PolarHBondContact O-N 3.37Å; R141-L174 HydrophobicContact CB-CD2 4.04Å; R141-L174 HydrophobicContact CG-CD2 4.43Å
142	A	97	Very high	90.9	Very high	32 Å²	32	54.8 Å²	54.8	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-47.1	172.9	0	0	0	0	0	111.8	N116 Q138 H139 F144 S145 D146	N116-A142 HydrophobicContact CB-CB 4.24Å; Q138-A142 PolarHBondContact O-N 3.24Å; H139-A142 PolarHBondContact O-N 3.27Å; A142-F144 VanDerWaalsContact C-N 3.31Å; A142-F144 PolarHBondContact O-N 2.64Å; A142-S145 WeakPolarHBondContact O-CB 3.12Å; A142-S145 PolarHBondContact O-N 3.46Å; A142-S145 VanDerWaalsContact O-N 3.13Å; A142-D146 VanDerWaalsContact O-CG 3.31Å; A142-D146 PolarHBondContact O-N 2.96Å
143	A	97.6	Very high	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-43.3	175.7	0	0	0	0	0	111.7	G113 N116 M117 H139 A140 S145 D146 F147 L170	G113-A143 WeakPolarHBondContact O-CB 3.43Å; N116-A143 HydrophobicContact CB-CB 3.71Å; M117-A143 HydrophobicContact CB-CB 4.19Å; H139-A143 WeakPolarHBondContact O-CB 3Å; H139-A143 PolarHBondContact O-N 2.94Å; A140-A143 PolarHBondContact O-N 3.04Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.5Å; A143-D146 PolarHBondContact O-N 3.1Å; A143-F147 HydrophobicContact CB-CD2 4.4Å; A143-F147 HydrophobicContact CB-CE2 4.25Å; A143-F147 WeakPolarHBondContact O-CD2 3.44Å; A143-F147 PolarHBondContact O-N 3.18Å; A143-L170 HydrophobicContact CB-CD1 3.74Å; A143-L170 HydrophobicContact CB-CD2 4.26Å
144	F	96.8	Very high	93.7	Very high	50 Å²	50	58.5 Å²	58.5	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-42.8	176.5	-174.3	-86.1	0	0	0	111.3	A140 R141 A142 S148 L167 L170 K171 L174	A140-F144 WeakPolarHBondContact O-CB 3.43Å; A140-F144 PolarHBondContact O-N 3.26Å; R141-F144 PolarHBondContact O-N 3.34Å; A142-F144 VanDerWaalsContact C-N 3.31Å; A142-F144 PolarHBondContact O-N 2.64Å; F144-S148 WeakPolarHBondContact CE1-OG 3.37Å; F144-S148 WeakPolarHBondContact O-CB 3.47Å; F144-S148 PolarHBondContact O-N 3.3Å; F144-S148 PolarHBondContact O-OG 3.1Å; F144-L167 HydrophobicContact CD1-CD2 4.44Å; F144-L167 HydrophobicContact CD2-CD2 3.55Å; F144-L167 HydrophobicContact CE2-CB 4.46Å; F144-L167 HydrophobicContact CE2-CD2 3.71Å; F144-L167 HydrophobicContact CG-CD2 3.94Å; F144-L167 HydrophobicContact CZ-CD2 4.23Å; F144-L167 WeakPolarHBondContact O-CD2 3.48Å; F144-L170 HydrophobicContact CB-CB 4.36Å; F144-L170 HydrophobicContact CB-CD1 4.39Å; F144-L170 HydrophobicContact CD2-CB 3.98Å; F144-K171 HydrophobicContact CE2-CB 4Å; F144-K171 HydrophobicContact CE2-CG 4.23Å; F144-L174 HydrophobicContact CB-CD1 3.97Å; F144-L174 HydrophobicContact CD2-CD1 4.24Å; F144-L174 HydrophobicContact CG-CD1 4.08Å
145	S	97.3	Very high	95.3	Very high	50 Å²	50	57.2 Å²	57.2	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-45.5	174.7	-168.3	0	0	0	0	111.8	R141 A142 A143 S148 K149	R141-S145 PolarHBondContact O-N 3.37Å; A142-S145 WeakPolarHBondContact O-CB 3.12Å; A142-S145 PolarHBondContact O-N 3.46Å; A142-S145 VanDerWaalsContact O-N 3.13Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.5Å; S145-S148 PolarHBondContact O-N 2.82Å; S145-K149 VanDerWaalsContact O-CG 3.31Å; S145-K149 WeakPolarHBondContact O-CG 3.4Å; S145-K149 PolarHBondContact O-N 3.11Å; S145-K149 PolarHBondContact OG-NZ 3.29Å
146	D	98.2	Very high	96.1	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-46.6	-176.2	-65.9	-30.3	0	0	0	112.2	R112 N116 A142 A143 S148 K149 L150	R112-D146 HydrophobicContact CB-CB 4.36Å; R112-D146 VanDerWaalsContact CD-CG 3.43Å; R112-D146 WeakPolarHBondContact CD-OD1 3.33Å; R112-D146 WeakPolarHBondContact CD-OD2 3.29Å; R112-D146 HydrophobicContact CG-CB 4.43Å; R112-D146 VanDerWaalsContact CG-OD2 3.26Å; R112-D146 WeakPolarHBondContact CG-OD2 3.35Å; R112-D146 IonicContact NE-OD1 3.27Å; R112-D146 PolarHBondContact NE-OD1 3.33Å; R112-D146 IonicContact NE-OD2 2.73Å; R112-D146 PolarHBondContact NE-OD2 3.47Å; N116-D146 PolarHBondContact ND2-OD2 3.42Å; A142-D146 VanDerWaalsContact O-CG 3.31Å; A142-D146 PolarHBondContact O-N 2.96Å; A143-D146 PolarHBondContact O-N 3.1Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.32Å; D146-K149 PolarHBondContact O-N 3.37Å; D146-K149 IonicContact OD1-NZ 3.71Å; D146-L150 PolarHBondContact O-N 3.05Å
147	F	98.5	Very high	96.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-36	173.6	-68.3	-52.2	0	0	0	112	Y110 L114 M117 A143 K149 L150 V151 A163 R166 L167 L170	Y110-F147 HydrophobicContact CD2-CD1 4.22Å; Y110-F147 AromaticContact CD2-CE1 3.65Å; Y110-F147 HydrophobicContact CD2-CE1 3.65Å; Y110-F147 AromaticContact CE2-CE1 3.88Å; Y110-F147 HydrophobicContact CE2-CE1 3.88Å; L114-F147 HydrophobicContact CD2-CZ 4.19Å; L114-F147 HydrophobicContact CG-CZ 4.32Å; L114-F147 VanDerWaalsContact N-CZ 3.33Å; M117-F147 HydrophobicContact SD-CE2 4.44Å; A143-F147 HydrophobicContact CB-CD2 4.4Å; A143-F147 HydrophobicContact CB-CE2 4.25Å; A143-F147 WeakPolarHBondContact O-CD2 3.44Å; A143-F147 PolarHBondContact O-N 3.18Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 2.93Å; F147-L150 PolarHBondContact O-N 2.74Å; F147-V151 WeakPolarHBondContact O-CG2 3.32Å; F147-V151 PolarHBondContact O-N 2.83Å; F147-A163 HydrophobicContact CB-CB 4.32Å; F147-A163 HydrophobicContact CD1-CB 3.68Å; F147-A163 HydrophobicContact CE1-CB 4.38Å; F147-A163 HydrophobicContact CG-CB 4.28Å; F147-R166 HydrophobicContact CD2-CB 4.1Å; F147-R166 HydrophobicContact CE2-CB 3.9Å; F147-R166 HydrophobicContact CE2-CG 4.44Å; F147-R166 HydrophobicContact CZ-CB 4.32Å; F147-R166 HydrophobicContact CZ-CG 4.47Å; F147-L167 HydrophobicContact CB-CD1 4.28Å; F147-L167 HydrophobicContact CB-CD2 3.68Å; F147-L167 HydrophobicContact CB-CG 3.74Å; F147-L170 HydrophobicContact CD2-CD1 3.62Å; F147-L170 HydrophobicContact CE2-CD1 3.9Å
148	S	97.4	Very high	97	Very high	12 Å²	12	62.3 Å²	62.3	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-40.6	176	-68.1	0	0	0	0	111.8	F144 S145 D146 R152 L167	F144-S148 WeakPolarHBondContact CE1-OG 3.37Å; F144-S148 WeakPolarHBondContact O-CB 3.47Å; F144-S148 PolarHBondContact O-N 3.3Å; F144-S148 PolarHBondContact O-OG 3.1Å; S145-S148 PolarHBondContact O-N 2.82Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.32Å; S148-R152 VanDerWaalsContact O-CB 3.31Å; S148-R152 WeakPolarHBondContact O-CB 3.34Å; S148-R152 WeakPolarHBondContact O-CG 3.4Å; S148-R152 PolarHBondContact O-N 2.86Å; S148-R152 VanDerWaalsContact O-N 3.08Å; S148-L167 WeakPolarHBondContact OG-CD2 3.45Å
149	K	97.5	Very high	97.3	Very high	112 Å²	112	59.4 Å²	59.4	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-44.1	174.9	-71.6	166	-170	161.7	0	111.3	S145 D146 F147 G153	S145-K149 VanDerWaalsContact O-CG 3.31Å; S145-K149 WeakPolarHBondContact O-CG 3.4Å; S145-K149 PolarHBondContact O-N 3.11Å; S145-K149 PolarHBondContact OG-NZ 3.29Å; D146-K149 PolarHBondContact O-N 3.37Å; D146-K149 IonicContact OD1-NZ 3.71Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 2.93Å; K149-G153 PolarHBondContact O-N 3.05Å
150	L	98.1	Very high	97.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-54.6	176.4	170.6	63.5	0	0	0	111.9	D106 M109 Y110 D146 F147 R152 G153 Y154 A163	D106-L150 HydrophobicContact CB-CD1 3.77Å; D106-L150 WeakPolarHBondContact O-CD1 3.42Å; M109-L150 HydrophobicContact CB-CB 4.17Å; M109-L150 HydrophobicContact CB-CD1 4.33Å; Y110-L150 HydrophobicContact CD2-CD2 3.97Å; Y110-L150 HydrophobicContact CG-CD2 4.28Å; D146-L150 PolarHBondContact O-N 3.05Å; F147-L150 PolarHBondContact O-N 2.74Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.3Å; L150-G153 PolarHBondContact O-N 2.93Å; L150-Y154 HydrophobicContact CD1-CD2 4.26Å; L150-Y154 WeakPolarHBondContact O-CA 3.37Å; L150-Y154 PolarHBondContact O-N 3.31Å; L150-A163 HydrophobicContact CD2-CB 3.72Å
151	V	98.1	Very high	97.6	Very high	34 Å²	34	62.2 Å²	62.2	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-37.3	-175.8	173.8	0	0	0	0	111.5	F147 T160 A163 L167	F147-V151 WeakPolarHBondContact O-CG2 3.32Å; F147-V151 PolarHBondContact O-N 2.83Å; V151-T160 HydrophobicContact CB-CG2 4.45Å; V151-T160 HydrophobicContact CG1-CG2 4.12Å; V151-T160 HydrophobicContact CG2-CG2 4.18Å; V151-A163 HydrophobicContact CG2-CB 3.84Å; V151-L167 HydrophobicContact CB-CD1 4.3Å; V151-L167 HydrophobicContact CG2-CD1 3.85Å
152	R	97.8	Very high	97.8	Very high	205 Å²	205	59.6 Å²	59.6	77%	0.774	31%	0.313	S	S	*	.	H	α-helix	trans	-73.8	-40.4	177	-69.7	174.9	-171	171	3.2	112.9	S148 L150	S148-R152 VanDerWaalsContact O-CB 3.31Å; S148-R152 WeakPolarHBondContact O-CB 3.34Å; S148-R152 WeakPolarHBondContact O-CG 3.4Å; S148-R152 PolarHBondContact O-N 2.86Å; S148-R152 VanDerWaalsContact O-N 3.08Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.3Å
153	G	97.2	Very high	97.8	Very high	47 Å²	47	58 Å²	58	49%	0.485	30%	0.3	S	S	.	.	H	α-helix	trans	-81.9	-33.9	-175.6	0	0	0	0	0	113.9	K149 L150	K149-G153 PolarHBondContact O-N 3.05Å; L150-G153 PolarHBondContact O-N 2.93Å
154	Y	97.8	Very high	97.9	Very high	81 Å²	81	60.9 Å²	60.9	32%	0.318	32%	0.318	S	S	.	.			trans	-133	61.7	-174.2	-54.4	-87.8	0	0	0	111.2	I105 D106 M109 L150 N156 S157 T160	I105-Y154 HydrophobicContact CG2-CE1 3.73Å; I105-Y154 HydrophobicContact CG2-CE2 4.14Å; I105-Y154 VanDerWaalsContact CG2-CZ 3.4Å; I105-Y154 WeakPolarHBondContact CG2-OH 3.36Å; D106-Y154 HydrophobicContact CB-CD1 4.25Å; D106-Y154 HydrophobicContact CB-CD2 4.23Å; D106-Y154 HydrophobicContact CB-CG 3.93Å; M109-Y154 HydrophobicContact CE-CE2 3.74Å; M109-Y154 HydrophobicContact SD-CD2 4.09Å; M109-Y154 HydrophobicContact SD-CE2 3.67Å; L150-Y154 HydrophobicContact CD1-CD2 4.26Å; L150-Y154 WeakPolarHBondContact O-CA 3.37Å; L150-Y154 PolarHBondContact O-N 3.31Å; Y154-N156 PolarHBondContact O-N 2.9Å; Y154-S157 VanDerWaalsContact O-CB 3.24Å; Y154-S157 WeakPolarHBondContact O-CB 3.37Å; Y154-S157 PolarHBondContact O-N 3.24Å; Y154-T160 PolarHBondContact O-OG1 2.96Å
155	P	97.7	Very high	97.9	Very high	78 Å²	78	65.4 Å²	65.4	51%	0.506	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.6	-175.7	24.3	-34.9	0	0	0	113.9	T160	P155-T160 WeakPolarHBondContact O-CG2 3.15Å
156	N	97.5	Very high	97.9	Very high	160 Å²	160	66.1 Å²	66.1	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	5.4	179.2	-58.4	-33	0	0	0	113.6	Y154	Y154-N156 PolarHBondContact O-N 2.9Å
157	S	97.5	Very high	97.9	Very high	14 Å²	14	66.7 Å²	66.7	10%	0.098	34%	0.335	C	S	.	.	S	Bend	trans	-62.9	144.6	175.6	171.9	0	0	0	0	111.1	D106 Y154 Y159 T160	D106-S157 VanDerWaalsContact OD2-CB 3.22Å; D106-S157 WeakPolarHBondContact OD2-CB 3.23Å; D106-S157 PolarHBondContact OD2-OG 3.14Å; Y154-S157 VanDerWaalsContact O-CB 3.24Å; Y154-S157 WeakPolarHBondContact O-CB 3.37Å; Y154-S157 PolarHBondContact O-N 3.24Å; S157-Y159 PolarHBondContact O-N 3.25Å; S157-Y159 VanDerWaalsContact O-N 3.09Å; S157-Y159 VanDerWaalsContact OG-CD2 3.23Å; S157-Y159 WeakPolarHBondContact OG-CD2 3.49Å; S157-Y159 PolarHBondContact OG-N 3.37Å; S157-Y159 VanDerWaalsContact OG-N 3.1Å; S157-T160 WeakPolarHBondContact O-CB 3.34Å; S157-T160 PolarHBondContact O-N 3.16Å; S157-T160 VanDerWaalsContact O-N 3.1Å
158	Q	97.9	Very high	97.8	Very high	151 Å²	151	71.6 Å²	71.6	71%	0.706	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.9	171.6	64.5	-178.4	-11	0	0	113.2
159	Y	98.3	Very high	97.6	Very high	49 Å²	49	75.8 Å²	75.8	19%	0.192	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.4	-179.1	-51.6	-68.1	0	0	0	113.6	D106 Y107 Y110 S157 T161 D162 A163	D106-Y159 HydrophobicContact CB-CD2 4.49Å; Y107-Y159 VanDerWaalsContact CB-CE2 3.47Å; Y107-Y159 HydrophobicContact CD2-CE1 4.01Å; Y107-Y159 HydrophobicContact CD2-CE2 4.2Å; Y107-Y159 AromaticContact CD2-CZ 3.59Å; Y107-Y159 VanDerWaalsContact CD2-OH 3.3Å; Y107-Y159 WeakPolarHBondContact CD2-OH 3.3Å; Y107-Y159 HydrophobicContact CG-CE2 4.33Å; Y110-Y159 AromaticContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CE1 4.2Å; Y110-Y159 AromaticContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD2-CG 4.47Å; Y110-Y159 AromaticContact CE1-CD1 3.91Å; Y110-Y159 HydrophobicContact CE1-CD1 3.91Å; Y110-Y159 AromaticContact CG-CD1 3.99Å; Y110-Y159 HydrophobicContact CG-CD1 3.99Å; Y110-Y159 AromaticContact CG-CG 3.89Å; Y110-Y159 HydrophobicContact CG-CG 3.89Å; S157-Y159 PolarHBondContact O-N 3.25Å; S157-Y159 VanDerWaalsContact O-N 3.09Å; S157-Y159 VanDerWaalsContact OG-CD2 3.23Å; S157-Y159 WeakPolarHBondContact OG-CD2 3.49Å; S157-Y159 PolarHBondContact OG-N 3.37Å; S157-Y159 VanDerWaalsContact OG-N 3.1Å; Y159-T161 VanDerWaalsContact C-N 3.35Å; Y159-T161 PolarHBondContact O-N 3.28Å; Y159-D162 PolarHBondContact O-N 2.88Å; Y159-A163 WeakPolarHBondContact O-CB 3.38Å; Y159-A163 PolarHBondContact O-N 3.25Å
160	T	98.4	Very high	97.5	Very high	13 Å²	13	70.4 Å²	70.4	8%	0.08	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-36.8	-172	-74.8	0	0	0	0	113.1	V151 Y154 P155 S157 A163 T164	V151-T160 HydrophobicContact CB-CG2 4.45Å; V151-T160 HydrophobicContact CG1-CG2 4.12Å; V151-T160 HydrophobicContact CG2-CG2 4.18Å; Y154-T160 PolarHBondContact O-OG1 2.96Å; P155-T160 WeakPolarHBondContact O-CG2 3.15Å; S157-T160 WeakPolarHBondContact O-CB 3.34Å; S157-T160 PolarHBondContact O-N 3.16Å; S157-T160 VanDerWaalsContact O-N 3.1Å; T160-A163 PolarHBondContact O-N 3.3Å; T160-T164 WeakPolarHBondContact O-CB 3.38Å; T160-T164 PolarHBondContact O-N 2.9Å; T160-T164 PolarHBondContact O-OG1 3.29Å
161	T	98.3	Very high	97.4	Very high	98 Å²	98	72.5 Å²	72.5	60%	0.601	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-46.1	178.4	-57.2	0	0	0	0	111.8	Y159 K165	Y159-T161 VanDerWaalsContact C-N 3.35Å; Y159-T161 PolarHBondContact O-N 3.28Å; T161-K165 PolarHBondContact O-N 3Å
162	D	98.5	Very high	97.2	Very high	55 Å²	55	72.9 Å²	72.9	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-43.5	178.3	-170.2	71.2	0	0	0	111.4	Y110 Y159 T164 K165 R166	Y110-D162 HydrophobicContact CE2-CB 4.35Å; Y110-D162 PolarHBondContact OH-OD2 2.66Å; Y159-D162 PolarHBondContact O-N 2.88Å; D162-T164 VanDerWaalsContact C-N 3.26Å; D162-T164 PolarHBondContact O-N 3.16Å; D162-K165 WeakPolarHBondContact O-CB 3.42Å; D162-K165 PolarHBondContact O-N 3.33Å; D162-K165 VanDerWaalsContact O-N 3.1Å; D162-R166 WeakPolarHBondContact O-CG 3.45Å; D162-R166 PolarHBondContact O-N 3.29Å; D162-R166 IonicContact OD2-CZ 2.97Å; D162-R166 IonicContact OD2-NE 3.47Å; D162-R166 PolarHBondContact OD2-NE 2.7Å; D162-R166 IonicContact OD2-NH2 3.39Å; D162-R166 PolarHBondContact OD2-NH2 2.85Å; D162-R166 VanDerWaalsContact OD2-NH2 3.14Å
163	A	98.4	Very high	97	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.4	-39.9	175.4	0	0	0	0	0	112.3	Y110 F147 L150 V151 Y159 T160 R166 L167	Y110-A163 HydrophobicContact CD2-CB 4.32Å; F147-A163 HydrophobicContact CB-CB 4.32Å; F147-A163 HydrophobicContact CD1-CB 3.68Å; F147-A163 HydrophobicContact CE1-CB 4.38Å; F147-A163 HydrophobicContact CG-CB 4.28Å; L150-A163 HydrophobicContact CD2-CB 3.72Å; V151-A163 HydrophobicContact CG2-CB 3.84Å; Y159-A163 WeakPolarHBondContact O-CB 3.38Å; Y159-A163 PolarHBondContact O-N 3.25Å; T160-A163 PolarHBondContact O-N 3.3Å; A163-R166 PolarHBondContact O-N 3.1Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.47Å
164	T	97.9	Very high	96.9	Very high	60 Å²	60	62.3 Å²	62.3	37%	0.368	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176.8	-58	0	0	0	0	111.8	T160 D162 R166 L167 V168	T160-T164 WeakPolarHBondContact O-CB 3.38Å; T160-T164 PolarHBondContact O-N 2.9Å; T160-T164 PolarHBondContact O-OG1 3.29Å; D162-T164 VanDerWaalsContact C-N 3.26Å; D162-T164 PolarHBondContact O-N 3.16Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 2.9Å; T164-L167 WeakPolarHBondContact O-CB 3.46Å; T164-L167 PolarHBondContact O-N 3.44Å; T164-V168 PolarHBondContact O-N 3.48Å; T164-V168 VanDerWaalsContact O-N 3.17Å
165	K	97.8	Very high	96.8	Very high	144 Å²	144	58.4 Å²	58.4	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-62	-42	174.2	-69.7	179.1	-179.8	-179.6	0	111.6	T161 D162 L167 V168 F169	T161-K165 PolarHBondContact O-N 3Å; D162-K165 WeakPolarHBondContact O-CB 3.42Å; D162-K165 PolarHBondContact O-N 3.33Å; D162-K165 VanDerWaalsContact O-N 3.1Å; K165-L167 VanDerWaalsContact C-N 3.34Å; K165-V168 PolarHBondContact O-N 2.89Å; K165-F169 PolarHBondContact O-N 2.73Å
166	R	97.4	Very high	96.7	Very high	65 Å²	65	58.7 Å²	58.7	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-36.7	175.2	-67.9	-179.7	-171.9	-78.6	-12.1	112.5	M117 F147 D162 A163 T164 V168 F169 L170	M117-R166 HydrophobicContact SD-CB 4.49Å; M117-R166 HydrophobicContact SD-CG 4.2Å; M117-R166 PolarHBondContact SD-NH1 2.85Å; F147-R166 HydrophobicContact CD2-CB 4.1Å; F147-R166 HydrophobicContact CE2-CB 3.9Å; F147-R166 HydrophobicContact CE2-CG 4.44Å; F147-R166 HydrophobicContact CZ-CB 4.32Å; F147-R166 HydrophobicContact CZ-CG 4.47Å; D162-R166 WeakPolarHBondContact O-CG 3.45Å; D162-R166 PolarHBondContact O-N 3.29Å; D162-R166 IonicContact OD2-CZ 2.97Å; D162-R166 IonicContact OD2-NE 3.47Å; D162-R166 PolarHBondContact OD2-NE 2.7Å; D162-R166 IonicContact OD2-NH2 3.39Å; D162-R166 PolarHBondContact OD2-NH2 2.85Å; D162-R166 VanDerWaalsContact OD2-NH2 3.14Å; A163-R166 PolarHBondContact O-N 3.1Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 2.9Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.44Å; R166-F169 PolarHBondContact O-N 2.89Å; R166-L170 WeakPolarHBondContact O-CB 3.49Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 2.93Å
167	L	97	Very high	96.6	Very high	23 Å²	23	53 Å²	53	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43.4	174.2	-77.7	172.3	0	0	0	111.5	F144 F147 S148 V151 A163 T164 K165 L170 K171	F144-L167 HydrophobicContact CD1-CD2 4.44Å; F144-L167 HydrophobicContact CD2-CD2 3.55Å; F144-L167 HydrophobicContact CE2-CB 4.46Å; F144-L167 HydrophobicContact CE2-CD2 3.71Å; F144-L167 HydrophobicContact CG-CD2 3.94Å; F144-L167 HydrophobicContact CZ-CD2 4.23Å; F144-L167 WeakPolarHBondContact O-CD2 3.48Å; F147-L167 HydrophobicContact CB-CD1 4.28Å; F147-L167 HydrophobicContact CB-CD2 3.68Å; F147-L167 HydrophobicContact CB-CG 3.74Å; S148-L167 WeakPolarHBondContact OG-CD2 3.45Å; V151-L167 HydrophobicContact CB-CD1 4.3Å; V151-L167 HydrophobicContact CG2-CD1 3.85Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.47Å; T164-L167 WeakPolarHBondContact O-CB 3.46Å; T164-L167 PolarHBondContact O-N 3.44Å; K165-L167 VanDerWaalsContact C-N 3.34Å; L167-L170 PolarHBondContact O-N 3.42Å; L167-K171 VanDerWaalsContact O-CB 3.23Å; L167-K171 WeakPolarHBondContact O-CB 3.33Å; L167-K171 PolarHBondContact O-N 2.94Å
168	V	96.7	Very high	96.5	Very high	103 Å²	103	53.6 Å²	53.6	62%	0.624	26%	0.26	S	S	*	.	H	α-helix	trans	-60.5	-47.5	175.8	176.4	0	0	0	0	110.9	T164 K165 R166 K171 D172	T164-V168 PolarHBondContact O-N 3.48Å; T164-V168 VanDerWaalsContact O-N 3.17Å; K165-V168 PolarHBondContact O-N 2.89Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.44Å; V168-K171 WeakPolarHBondContact O-CB 3.43Å; V168-K171 PolarHBondContact O-N 3.44Å; V168-D172 PolarHBondContact O-N 3.19Å; V168-D172 VanDerWaalsContact O-N 3.12Å
169	F	94.2	Very high	96.5	Very high	99 Å²	99	48.8 Å²	48.8	43%	0.434	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-47.9	176.4	170.8	-93.7	0	0	0	112.7	M117 K165 R166 K171 D172 R173	M117-F169 HydrophobicContact CE-CD1 3.61Å; M117-F169 HydrophobicContact CE-CE1 3.58Å; K165-F169 PolarHBondContact O-N 2.73Å; R166-F169 PolarHBondContact O-N 2.89Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.47Å; F169-D172 PolarHBondContact O-N 3.33Å; F169-R173 PolarHBondContact O-N 2.54Å
170	L	94.9	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-36.8	180	-73.5	167.2	0	0	0	111.5	A140 A143 F144 F147 R166 L167 R173 L174	A140-L170 HydrophobicContact CB-CD2 3.88Å; A143-L170 HydrophobicContact CB-CD1 3.74Å; A143-L170 HydrophobicContact CB-CD2 4.26Å; F144-L170 HydrophobicContact CB-CB 4.36Å; F144-L170 HydrophobicContact CB-CD1 4.39Å; F144-L170 HydrophobicContact CD2-CB 3.98Å; F147-L170 HydrophobicContact CD2-CD1 3.62Å; F147-L170 HydrophobicContact CE2-CD1 3.9Å; R166-L170 WeakPolarHBondContact O-CB 3.49Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 2.93Å; L167-L170 PolarHBondContact O-N 3.42Å; L170-R173 PolarHBondContact O-N 2.98Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 WeakPolarHBondContact O-CG 3.23Å; L170-L174 PolarHBondContact O-N 3.32Å
171	K	95.5	Very high	96.3	Very high	43 Å²	43	48.3 Å²	48.3	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-46.1	175.4	-158	-179.8	-173.5	176	0	111.1	F144 L167 V168 F169 L174 A175 Y205 D207 T208	F144-K171 HydrophobicContact CE2-CB 4Å; F144-K171 HydrophobicContact CE2-CG 4.23Å; L167-K171 VanDerWaalsContact O-CB 3.23Å; L167-K171 WeakPolarHBondContact O-CB 3.33Å; L167-K171 PolarHBondContact O-N 2.94Å; V168-K171 WeakPolarHBondContact O-CB 3.43Å; V168-K171 PolarHBondContact O-N 3.44Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.47Å; K171-L174 PolarHBondContact O-N 3.47Å; K171-A175 WeakPolarHBondContact O-CB 3.26Å; K171-A175 PolarHBondContact O-N 3.33Å; K171-Y205 HydrophobicContact CG-CD1 3.57Å; K171-Y205 HydrophobicContact CG-CE1 4.3Å; K171-Y205 HydrophobicContact CG-CG 4.43Å; K171-D207 WeakPolarHBondContact CD-OD1 3.49Å; K171-D207 WeakPolarHBondContact CE-OD1 3.39Å; K171-D207 IonicContact NZ-OD1 2.87Å; K171-D207 PolarHBondContact NZ-OD1 2.95Å; K171-D207 IonicContact NZ-OD2 3.94Å; K171-D207 PolarHBondContact NZ-OD2 2.83Å; K171-T208 HydrophobicContact CB-CG2 4.31Å; K171-T208 HydrophobicContact CD-CG2 4.11Å; K171-T208 HydrophobicContact CG-CG2 3.79Å
172	D	94.6	Very high	96.2	Very high	42 Å²	42	43.7 Å²	43.7	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-46.5	175.7	-175.2	67.9	0	0	0	111.8	V168 F169 L174 A175 K176	V168-D172 PolarHBondContact O-N 3.19Å; V168-D172 VanDerWaalsContact O-N 3.12Å; F169-D172 PolarHBondContact O-N 3.33Å; D172-L174 PolarHBondContact O-N 3.42Å; D172-A175 PolarHBondContact O-N 2.94Å; D172-K176 WeakPolarHBondContact O-CG 3.26Å; D172-K176 PolarHBondContact O-N 3.29Å; D172-K176 WeakPolarHBondContact OD2-CE 3.27Å; D172-K176 IonicContact OD2-NZ 3.66Å; D172-K176 PolarHBondContact OD2-NZ 3.26Å
173	R	92.8	Very high	96.2	Very high	28 Å²	28	44.5 Å²	44.5	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-46.3	176	179.8	172.8	-177.4	151.8	-11.5	112.5	D120 D121 F169 L170 K176 Y177	D120-R173 PolarHBondContact O-NH2 2.73Å; D120-R173 IonicContact OD1-CZ 3.2Å; D120-R173 IonicContact OD1-NE 2.97Å; D120-R173 IonicContact OD1-NH2 2.72Å; D120-R173 PolarHBondContact OD1-NH2 3.28Å; D120-R173 WeakPolarHBondContact OD2-CD 3.22Å; D120-R173 IonicContact OD2-CZ 3.36Å; D120-R173 IonicContact OD2-NE 2.79Å; D120-R173 PolarHBondContact OD2-NE 2.97Å; D120-R173 IonicContact OD2-NH1 2.69Å; D120-R173 PolarHBondContact OD2-NH1 3.18Å; D120-R173 IonicContact OD2-NH2 2.89Å; D120-R173 PolarHBondContact OD2-NH2 3.12Å; D121-R173 IonicContact OD1-NH1 3.14Å; D121-R173 PolarHBondContact OD1-NH1 2.71Å; F169-R173 PolarHBondContact O-N 2.54Å; L170-R173 PolarHBondContact O-N 2.98Å; R173-K176 PolarHBondContact O-N 3.09Å; R173-Y177 PolarHBondContact O-N 3.49Å
174	L	95.1	Very high	96.1	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-39	179	-70.9	169.2	0	0	0	111.9	P137 A140 R141 F144 L170 K171 D172 Y177 E178 Y205	P137-L174 HydrophobicContact CB-CD2 3.85Å; P137-L174 HydrophobicContact CG-CD2 3.64Å; A140-L174 HydrophobicContact CB-CD2 4.11Å; A140-L174 HydrophobicContact CB-CG 4.5Å; R141-L174 HydrophobicContact CB-CD2 4.04Å; R141-L174 HydrophobicContact CG-CD2 4.43Å; F144-L174 HydrophobicContact CB-CD1 3.97Å; F144-L174 HydrophobicContact CD2-CD1 4.24Å; F144-L174 HydrophobicContact CG-CD1 4.08Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 WeakPolarHBondContact O-CG 3.23Å; L170-L174 PolarHBondContact O-N 3.32Å; K171-L174 PolarHBondContact O-N 3.47Å; D172-L174 PolarHBondContact O-N 3.42Å; L174-Y177 PolarHBondContact O-N 3.23Å; L174-E178 PolarHBondContact O-N 3.48Å; L174-Y205 HydrophobicContact CB-CE1 3.91Å; L174-Y205 HydrophobicContact CB-CE2 4.12Å; L174-Y205 HydrophobicContact CD1-CE1 4.13Å
175	A	96.4	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-40	175.5	0	0	0	0	0	112	K171 D172 Y177 E178 Y179 M201 Y205 T208 A210	K171-A175 WeakPolarHBondContact O-CB 3.26Å; K171-A175 PolarHBondContact O-N 3.33Å; D172-A175 PolarHBondContact O-N 2.94Å; A175-Y177 VanDerWaalsContact C-N 3.29Å; A175-Y177 PolarHBondContact O-N 3.21Å; A175-E178 PolarHBondContact O-N 3.11Å; A175-Y179 WeakPolarHBondContact O-CB 3.24Å; A175-Y179 PolarHBondContact O-N 2.95Å; A175-M201 WeakPolarHBondContact O-CE 3.45Å; A175-Y205 HydrophobicContact CB-CD2 4.02Å; A175-Y205 HydrophobicContact CB-CG 4.01Å; A175-T208 HydrophobicContact CB-CG2 3.91Å; A175-T208 WeakPolarHBondContact CB-OG1 3.32Å; A175-A210 HydrophobicContact CB-CB 3.91Å
176	K	95.3	Very high	96.1	Very high	84 Å²	84	44.7 Å²	44.7	37%	0.365	21%	0.207	S	C	.	.	H	α-helix	trans	-59.9	-38.6	174.6	-74.8	172.6	170.9	158.8	0	112.4	D172 R173 Y179 S180 A210	D172-K176 WeakPolarHBondContact O-CG 3.26Å; D172-K176 PolarHBondContact O-N 3.29Å; D172-K176 WeakPolarHBondContact OD2-CE 3.27Å; D172-K176 IonicContact OD2-NZ 3.66Å; D172-K176 PolarHBondContact OD2-NZ 3.26Å; R173-K176 PolarHBondContact O-N 3.09Å; K176-Y179 WeakPolarHBondContact O-CB 3.41Å; K176-Y179 PolarHBondContact O-N 3.4Å; K176-S180 PolarHBondContact O-N 2.94Å; K176-S180 PolarHBondContact O-OG 3.46Å; K176-S180 VanDerWaalsContact O-OG 3.14Å; K176-A210 HydrophobicContact CG-CB 4.04Å
177	Y	94.8	Very high	96.1	Very high	39 Å²	39	49 Å²	49	15%	0.153	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-50	173.1	173.9	-101.6	0	0	0	112.9	S133 R135 P137 R173 L174 A175 Y179 S180 V181	S133-Y177 WeakPolarHBondContact O-CA 3.47Å; S133-Y177 WeakPolarHBondContact O-CB 3.45Å; S133-Y177 WeakPolarHBondContact O-CD2 3.38Å; R135-Y177 WeakPolarHBondContact O-CD2 3.37Å; P137-Y177 HydrophobicContact CG-CD1 3.79Å; P137-Y177 HydrophobicContact CG-CD2 4.27Å; P137-Y177 HydrophobicContact CG-CE1 4.37Å; P137-Y177 HydrophobicContact CG-CG 3.72Å; R173-Y177 PolarHBondContact O-N 3.49Å; L174-Y177 PolarHBondContact O-N 3.23Å; A175-Y177 VanDerWaalsContact C-N 3.29Å; A175-Y177 PolarHBondContact O-N 3.21Å; Y177-Y179 PolarHBondContact O-N 3.48Å; Y177-S180 PolarHBondContact O-N 3.4Å; Y177-V181 HydrophobicContact CE1-CG2 4.1Å; Y177-V181 HydrophobicContact CE2-CG2 4.09Å; Y177-V181 WeakPolarHBondContact O-CG2 3.47Å; Y177-V181 PolarHBondContact O-N 3.34Å
178	E	96.5	Very high	96.1	Very high	28 Å²	28	54.6 Å²	54.6	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-34.5	177.7	-66.6	-63.8	152.4	0	0	111.8	L174 A175 V181 A182 R197 M201 Y205	L174-E178 PolarHBondContact O-N 3.48Å; A175-E178 PolarHBondContact O-N 3.11Å; E178-V181 PolarHBondContact O-N 2.89Å; E178-A182 WeakPolarHBondContact O-CB 3.42Å; E178-A182 PolarHBondContact O-N 3.22Å; E178-R197 IonicContact OE1-NH1 3.79Å; E178-R197 VanDerWaalsContact OE2-CD 3.24Å; E178-R197 WeakPolarHBondContact OE2-CD 3.31Å; E178-R197 IonicContact OE2-CZ 3.25Å; E178-R197 IonicContact OE2-NE 2.73Å; E178-R197 IonicContact OE2-NH1 2.94Å; E178-R197 PolarHBondContact OE2-NH1 3.12Å; E178-M201 HydrophobicContact CB-CE 4.36Å; E178-M201 HydrophobicContact CB-CG 3.43Å; E178-M201 VanDerWaalsContact CB-CG 3.43Å; E178-M201 HydrophobicContact CB-SD 3.79Å; E178-M201 HydrophobicContact CG-CG 4.25Å; E178-Y205 HydrophobicContact CG-CE2 4.24Å
179	Y	97.1	Very high	96.2	Very high	49 Å²	49	51.2 Å²	51.2	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-50.4	172.9	179.1	-97.2	0	0	0	111.7	A175 K176 Y177 V181 A182 E183 A210 D213 A214 L217	A175-Y179 WeakPolarHBondContact O-CB 3.24Å; A175-Y179 PolarHBondContact O-N 2.95Å; K176-Y179 WeakPolarHBondContact O-CB 3.41Å; K176-Y179 PolarHBondContact O-N 3.4Å; Y177-Y179 PolarHBondContact O-N 3.48Å; Y179-V181 VanDerWaalsContact C-N 3.26Å; Y179-V181 PolarHBondContact O-N 3.03Å; Y179-A182 CarbonylContact O-C 3.11Å; Y179-A182 WeakPolarHBondContact O-CA 3.41Å; Y179-A182 WeakPolarHBondContact O-CB 3.33Å; Y179-A182 PolarHBondContact O-N 3.01Å; Y179-E183 HydrophobicContact CD1-CG 4.19Å; Y179-E183 HydrophobicContact CE1-CG 3.67Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.26Å; Y179-E183 WeakPolarHBondContact CE1-OE2 3.36Å; Y179-E183 HydrophobicContact CE2-CG 4.37Å; Y179-E183 VanDerWaalsContact CZ-CD 3.45Å; Y179-E183 VanDerWaalsContact CZ-OE1 3.31Å; Y179-E183 PolarHBondContact O-N 2.84Å; Y179-E183 PolarHBondContact OH-OE1 2.53Å; Y179-A210 WeakPolarHBondContact CD2-O 3.26Å; Y179-D213 HydrophobicContact CD2-CB 4.36Å; Y179-D213 HydrophobicContact CE2-CB 3.85Å; Y179-A214 HydrophobicContact CD2-CB 3.82Å; Y179-A214 HydrophobicContact CE2-CB 4.35Å; Y179-L217 HydrophobicContact CD2-CD1 4.27Å; Y179-L217 HydrophobicContact CE2-CD1 3.79Å
180	S	95.9	Very high	96.4	Very high	31 Å²	31	48.2 Å²	48.2	22%	0.217	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-35.7	177.2	-60.1	0	0	0	0	112.6	K176 Y177 E183 Y184	K176-S180 PolarHBondContact O-N 2.94Å; K176-S180 PolarHBondContact O-OG 3.46Å; K176-S180 VanDerWaalsContact O-OG 3.14Å; Y177-S180 PolarHBondContact O-N 3.4Å; S180-E183 PolarHBondContact O-N 2.89Å; S180-Y184 WeakPolarHBondContact O-CB 3.49Å; S180-Y184 PolarHBondContact O-N 3.37Å
181	V	96.5	Very high	96.5	Very high	22 Å²	22	51.1 Å²	51.1	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-39.7	173.2	177	0	0	0	0	111.3	Y177 E178 Y179 Y184 Y185 R197	Y177-V181 HydrophobicContact CE1-CG2 4.1Å; Y177-V181 HydrophobicContact CE2-CG2 4.09Å; Y177-V181 WeakPolarHBondContact O-CG2 3.47Å; Y177-V181 PolarHBondContact O-N 3.34Å; E178-V181 PolarHBondContact O-N 2.89Å; Y179-V181 VanDerWaalsContact C-N 3.26Å; Y179-V181 PolarHBondContact O-N 3.03Å; V181-Y184 PolarHBondContact O-N 2.75Å; V181-Y185 HydrophobicContact CG1-CD2 3.89Å; V181-Y185 HydrophobicContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact O-CD2 3.26Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 2.95Å; V181-Y185 VanDerWaalsContact O-N 3.09Å; V181-R197 HydrophobicContact CG1-CG 4.16Å
182	A	98	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-40.1	174.6	0	0	0	0	0	112.1	E178 Y179 Y185 T186 R197 V198 L217	E178-A182 WeakPolarHBondContact O-CB 3.42Å; E178-A182 PolarHBondContact O-N 3.22Å; Y179-A182 CarbonylContact O-C 3.11Å; Y179-A182 WeakPolarHBondContact O-CA 3.41Å; Y179-A182 WeakPolarHBondContact O-CB 3.33Å; Y179-A182 PolarHBondContact O-N 3.01Å; A182-Y185 PolarHBondContact O-N 3.35Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 3.4Å; A182-T186 PolarHBondContact O-OG1 3.19Å; A182-R197 HydrophobicContact CB-CB 4.04Å; A182-V198 HydrophobicContact CB-CG2 4.14Å; A182-L217 HydrophobicContact CB-CD1 4.13Å
183	E	97.4	Very high	96.9	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-49.3	172.4	-74.9	-173	129.3	0	0	111.3	Y179 S180 Y185 T186 E187 L217	Y179-E183 HydrophobicContact CD1-CG 4.19Å; Y179-E183 HydrophobicContact CE1-CG 3.67Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.26Å; Y179-E183 WeakPolarHBondContact CE1-OE2 3.36Å; Y179-E183 HydrophobicContact CE2-CG 4.37Å; Y179-E183 VanDerWaalsContact CZ-CD 3.45Å; Y179-E183 VanDerWaalsContact CZ-OE1 3.31Å; Y179-E183 PolarHBondContact O-N 2.84Å; Y179-E183 PolarHBondContact OH-OE1 2.53Å; S180-E183 PolarHBondContact O-N 2.89Å; E183-Y185 VanDerWaalsContact C-N 3.27Å; E183-Y185 PolarHBondContact O-N 2.95Å; E183-T186 WeakPolarHBondContact O-CA 3.46Å; E183-T186 VanDerWaalsContact O-CB 3.28Å; E183-T186 WeakPolarHBondContact O-CB 3.5Å; E183-T186 PolarHBondContact O-N 3.27Å; E183-E187 PolarHBondContact O-N 3.13Å; E183-L217 HydrophobicContact CG-CD1 3.84Å
184	Y	96.5	Very high	97.1	Very high	114 Å²	114	51.5 Å²	51.5	45%	0.447	25%	0.253	S	S	.	.	H	α-helix	trans	-55.8	-39.6	177.5	173.9	-87.7	0	0	0	113.1	S180 V181 R188	S180-Y184 WeakPolarHBondContact O-CB 3.49Å; S180-Y184 PolarHBondContact O-N 3.37Å; V181-Y184 PolarHBondContact O-N 2.75Å; Y184-R188 VanDerWaalsContact CZ-NH2 3.35Å; Y184-R188 PolarHBondContact O-N 3.48Å; Y184-R188 PolarHBondContact O-NH1 2.96Å; Y184-R188 PolarHBondContact OH-NE 2.96Å; Y184-R188 PolarHBondContact OH-NH2 3.1Å
185	Y	97.9	Very high	97.3	Very high	67 Å²	67	51.9 Å²	51.9	26%	0.263	26%	0.256	S	S	.	.	H	α-helix	trans	-74	-32.6	174.9	-71.8	-41.7	0	0	0	113	V181 A182 E183 R188 G189 A190 A193 R197	V181-Y185 HydrophobicContact CG1-CD2 3.89Å; V181-Y185 HydrophobicContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact O-CD2 3.26Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 2.95Å; V181-Y185 VanDerWaalsContact O-N 3.09Å; A182-Y185 PolarHBondContact O-N 3.35Å; E183-Y185 VanDerWaalsContact C-N 3.27Å; E183-Y185 PolarHBondContact O-N 2.95Å; Y185-R188 PolarHBondContact O-N 3.5Å; Y185-G189 PolarHBondContact O-N 3.32Å; Y185-A190 HydrophobicContact CD1-CB 4.11Å; Y185-A190 HydrophobicContact CG-CB 4.39Å; Y185-A190 PolarHBondContact O-N 3.43Å; Y185-A193 HydrophobicContact CD1-CB 4.13Å; Y185-A193 HydrophobicContact CD2-CB 3.64Å; Y185-A193 HydrophobicContact CE1-CB 4.41Å; Y185-A193 HydrophobicContact CE2-CB 3.93Å; Y185-A193 HydrophobicContact CG-CB 3.76Å; Y185-R197 HydrophobicContact CD2-CG 3.99Å; Y185-R197 HydrophobicContact CE2-CG 4.01Å
186	T	98.2	Very high	97.4	Very high	26 Å²	26	56.5 Å²	56.5	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-47.1	174	-60.4	0	0	0	0	110.3	A182 E183 R188 G189 W191 V194 L217	A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 3.4Å; A182-T186 PolarHBondContact O-OG1 3.19Å; E183-T186 WeakPolarHBondContact O-CA 3.46Å; E183-T186 VanDerWaalsContact O-CB 3.28Å; E183-T186 WeakPolarHBondContact O-CB 3.5Å; E183-T186 PolarHBondContact O-N 3.27Å; T186-R188 PolarHBondContact O-N 3.43Å; T186-R188 VanDerWaalsContact O-N 3.17Å; T186-G189 PolarHBondContact O-N 3.09Å; T186-W191 HydrophobicContact CG2-CZ3 3.97Å; T186-V194 WeakPolarHBondContact OG1-CG2 3.37Å; T186-L217 HydrophobicContact CG2-CD2 4.17Å
187	E	97.3	Very high	97.5	Very high	157 Å²	157	56.2 Å²	56.2	73%	0.734	28%	0.277	S	S	*	.	H	α-helix	trans	-59.3	-27.2	176.6	-69.3	179.2	170.3	0	0	113.4	E183	E183-E187 PolarHBondContact O-N 3.13Å
188	R	97.4	Very high	97.7	Very high	139 Å²	139	54.4 Å²	54.4	53%	0.525	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.5	179.5	-75.6	169.1	175.4	66.5	3.9	114	Y184 Y185 T186 A190	Y184-R188 VanDerWaalsContact CZ-NH2 3.35Å; Y184-R188 PolarHBondContact O-N 3.48Å; Y184-R188 PolarHBondContact O-NH1 2.96Å; Y184-R188 PolarHBondContact OH-NE 2.96Å; Y184-R188 PolarHBondContact OH-NH2 3.1Å; Y185-R188 PolarHBondContact O-N 3.5Å; T186-R188 PolarHBondContact O-N 3.43Å; T186-R188 VanDerWaalsContact O-N 3.17Å; R188-A190 PolarHBondContact O-N 3.1Å
189	G	97.5	Very high	97.8	Very high	33 Å²	33	57.3 Å²	57.3	34%	0.34	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	23.4	-174.5	0	0	0	0	0	114.1	Y185 T186 W191	Y185-G189 PolarHBondContact O-N 3.32Å; T186-G189 PolarHBondContact O-N 3.09Å; G189-W191 VanDerWaalsContact CA-CZ2 3.48Å; G189-W191 PolarHBondContact O-N 3.35Å; G189-W191 PolarHBondContact O-NE1 2.85Å
190	A	98.4	Very high	97.8	Very high	35 Å²	35	55.5 Å²	55.5	29%	0.289	28%	0.28	S	S	.	.			trans	-83.4	62.5	178.8	0	0	0	0	0	110.9	Y185 R188 V192 A193 V194	Y185-A190 HydrophobicContact CD1-CB 4.11Å; Y185-A190 HydrophobicContact CG-CB 4.39Å; Y185-A190 PolarHBondContact O-N 3.43Å; R188-A190 PolarHBondContact O-N 3.1Å; A190-V192 VanDerWaalsContact C-N 3.35Å; A190-V192 PolarHBondContact O-N 2.77Å; A190-A193 HydrophobicContact CB-CB 4.16Å; A190-A193 WeakPolarHBondContact O-CA 3.04Å; A190-A193 WeakPolarHBondContact O-CB 3.27Å; A190-A193 PolarHBondContact O-N 3.14Å; A190-V194 PolarHBondContact O-N 3.07Å; A190-V194 VanDerWaalsContact O-N 3.08Å
191	W	98.4	Very high	97.9	Very high	62 Å²	62	54 Å²	54	24%	0.235	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-38.3	-167.2	-49.9	126.2	0	0	0	115	T186 G189 A193 V194 V195 A221 Q224 M225	T186-W191 HydrophobicContact CG2-CZ3 3.97Å; G189-W191 VanDerWaalsContact CA-CZ2 3.48Å; G189-W191 PolarHBondContact O-N 3.35Å; G189-W191 PolarHBondContact O-NE1 2.85Å; W191-A193 VanDerWaalsContact C-N 3.3Å; W191-A193 PolarHBondContact O-N 2.98Å; W191-V194 HydrophobicContact CE3-CG2 4.47Å; W191-V194 WeakPolarHBondContact O-CB 3.36Å; W191-V194 PolarHBondContact O-N 3.22Å; W191-V195 PolarHBondContact O-N 3.12Å; W191-A221 HydrophobicContact CB-CB 4.06Å; W191-A221 HydrophobicContact CE3-CB 4.08Å; W191-Q224 HydrophobicContact CD2-CB 3.73Å; W191-Q224 HydrophobicContact CD2-CG 3.97Å; W191-Q224 VanDerWaalsContact CE2-CB 3.49Å; W191-Q224 HydrophobicContact CE3-CB 4.47Å; W191-Q224 HydrophobicContact CE3-CG 4.33Å; W191-Q224 HydrophobicContact CG-CB 3.83Å; W191-Q224 HydrophobicContact CH2-CG 4.04Å; W191-Q224 HydrophobicContact CZ2-CB 4.07Å; W191-Q224 HydrophobicContact CZ2-CG 3.62Å; W191-Q224 HydrophobicContact CZ3-CG 4.36Å; W191-M225 HydrophobicContact CB-CE 4.21Å; W191-M225 HydrophobicContact CB-CG 3.58Å; W191-M225 HydrophobicContact CB-SD 3.74Å; W191-M225 HydrophobicContact CG-CG 4.23Å
192	V	98.4	Very high	97.9	Very high	93 Å²	93	55.6 Å²	55.6	56%	0.564	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-39.8	175.1	178.6	0	0	0	0	111	A190 V195 N196 M225	A190-V192 VanDerWaalsContact C-N 3.35Å; A190-V192 PolarHBondContact O-N 2.77Å; V192-V195 PolarHBondContact O-N 2.69Å; V192-N196 VanDerWaalsContact O-CG 3.24Å; V192-N196 PolarHBondContact O-N 3.43Å; V192-N196 PolarHBondContact O-ND2 3.39Å; V192-M225 HydrophobicContact CB-SD 4.49Å; V192-M225 HydrophobicContact CG2-SD 3.61Å
193	A	98.3	Very high	97.8	Very high	27 Å²	27	64.2 Å²	64.2	22%	0.223	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-37.3	178.2	0	0	0	0	0	111.6	Y185 A190 W191 N196 R197	Y185-A193 HydrophobicContact CD1-CB 4.13Å; Y185-A193 HydrophobicContact CD2-CB 3.64Å; Y185-A193 HydrophobicContact CE1-CB 4.41Å; Y185-A193 HydrophobicContact CE2-CB 3.93Å; Y185-A193 HydrophobicContact CG-CB 3.76Å; A190-A193 HydrophobicContact CB-CB 4.16Å; A190-A193 WeakPolarHBondContact O-CA 3.04Å; A190-A193 WeakPolarHBondContact O-CB 3.27Å; A190-A193 PolarHBondContact O-N 3.14Å; W191-A193 VanDerWaalsContact C-N 3.3Å; W191-A193 PolarHBondContact O-N 2.98Å; A193-N196 PolarHBondContact O-N 3.42Å; A193-R197 WeakPolarHBondContact O-CB 3.4Å; A193-R197 VanDerWaalsContact O-CG 3.23Å; A193-R197 WeakPolarHBondContact O-CG 3.25Å; A193-R197 PolarHBondContact O-N 3.03Å
194	V	98.6	Very high	97.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-53.3	172.9	178.6	0	0	0	0	110.3	T186 A190 W191 N196 R197 V198 L217 A221	T186-V194 WeakPolarHBondContact OG1-CG2 3.37Å; A190-V194 PolarHBondContact O-N 3.07Å; A190-V194 VanDerWaalsContact O-N 3.08Å; W191-V194 HydrophobicContact CE3-CG2 4.47Å; W191-V194 WeakPolarHBondContact O-CB 3.36Å; W191-V194 PolarHBondContact O-N 3.22Å; V194-N196 VanDerWaalsContact C-N 3.35Å; V194-N196 PolarHBondContact O-N 2.87Å; V194-R197 PolarHBondContact O-N 3.35Å; V194-R197 VanDerWaalsContact O-N 3.13Å; V194-V198 HydrophobicContact CG1-CG2 4.33Å; V194-V198 WeakPolarHBondContact O-CG2 3.36Å; V194-V198 PolarHBondContact O-N 3.31Å; V194-L217 HydrophobicContact CG1-CB 3.98Å; V194-A221 HydrophobicContact CB-CB 3.95Å; V194-A221 HydrophobicContact CG1-CB 3.91Å
195	V	98.5	Very high	97.5	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-47.7	179	171.2	0	0	0	0	111.3	W191 V192 R197 V198 E199 M218 A221 Y222 M225	W191-V195 PolarHBondContact O-N 3.12Å; V192-V195 PolarHBondContact O-N 2.69Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.46Å; V195-V198 PolarHBondContact O-N 2.95Å; V195-E199 HydrophobicContact CG1-CG 4.18Å; V195-E199 WeakPolarHBondContact O-CB 3.5Å; V195-E199 WeakPolarHBondContact O-CG 3.45Å; V195-E199 PolarHBondContact O-N 2.87Å; V195-M218 HydrophobicContact CG1-CE 4.28Å; V195-M218 HydrophobicContact CG2-CG 4.36Å; V195-A221 HydrophobicContact CG2-CB 3.87Å; V195-Y222 HydrophobicContact CB-CE1 4.45Å; V195-Y222 HydrophobicContact CG1-CE1 3.81Å; V195-Y222 WeakPolarHBondContact CG1-OH 3.03Å; V195-Y222 HydrophobicContact CG2-CD1 4Å; V195-Y222 HydrophobicContact CG2-CE1 3.75Å; V195-Y222 HydrophobicContact CG2-CE2 4.44Å; V195-Y222 HydrophobicContact CG2-CG 4.42Å; V195-M225 HydrophobicContact CG2-CE 3.62Å
196	N	98.4	Very high	97.4	Very high	97 Å²	97	60.3 Å²	60.3	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-37.1	178.9	-71	-15.9	0	0	0	112.9	V192 A193 V194 G200	V192-N196 VanDerWaalsContact O-CG 3.24Å; V192-N196 PolarHBondContact O-N 3.43Å; V192-N196 PolarHBondContact O-ND2 3.39Å; A193-N196 PolarHBondContact O-N 3.42Å; V194-N196 VanDerWaalsContact C-N 3.35Å; V194-N196 PolarHBondContact O-N 2.87Å; N196-G200 PolarHBondContact O-N 3.05Å; N196-G200 VanDerWaalsContact O-N 3.1Å
197	R	97.9	Very high	97.2	Very high	79 Å²	79	63.6 Å²	63.6	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-50.7	176.9	-71.5	-70.3	172.4	-175.1	3.8	111.3	E178 V181 A182 Y185 A193 V194 V195 E199 G200 M201	E178-R197 IonicContact OE1-NH1 3.79Å; E178-R197 VanDerWaalsContact OE2-CD 3.24Å; E178-R197 WeakPolarHBondContact OE2-CD 3.31Å; E178-R197 IonicContact OE2-CZ 3.25Å; E178-R197 IonicContact OE2-NE 2.73Å; E178-R197 IonicContact OE2-NH1 2.94Å; E178-R197 PolarHBondContact OE2-NH1 3.12Å; V181-R197 HydrophobicContact CG1-CG 4.16Å; A182-R197 HydrophobicContact CB-CB 4.04Å; Y185-R197 HydrophobicContact CD2-CG 3.99Å; Y185-R197 HydrophobicContact CE2-CG 4.01Å; A193-R197 WeakPolarHBondContact O-CB 3.4Å; A193-R197 VanDerWaalsContact O-CG 3.23Å; A193-R197 WeakPolarHBondContact O-CG 3.25Å; A193-R197 PolarHBondContact O-N 3.03Å; V194-R197 PolarHBondContact O-N 3.35Å; V194-R197 VanDerWaalsContact O-N 3.13Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.46Å; R197-E199 PolarHBondContact O-N 3.25Å; R197-G200 CarbonylContact O-C 3.55Å; R197-G200 WeakPolarHBondContact O-CA 3.3Å; R197-G200 PolarHBondContact O-N 3.41Å; R197-G200 VanDerWaalsContact O-N 3.1Å; R197-M201 WeakPolarHBondContact O-CG 3.22Å; R197-M201 PolarHBondContact O-N 3.21Å
198	V	98.4	Very high	97.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-35.2	-178.5	-175	0	0	0	0	111.9	A182 V194 V195 G200 M201 L202 A214 M218	A182-V198 HydrophobicContact CB-CG2 4.14Å; V194-V198 HydrophobicContact CG1-CG2 4.33Å; V194-V198 WeakPolarHBondContact O-CG2 3.36Å; V194-V198 PolarHBondContact O-N 3.31Å; V195-V198 PolarHBondContact O-N 2.95Å; V198-G200 VanDerWaalsContact C-N 3.32Å; V198-G200 PolarHBondContact O-N 2.81Å; V198-M201 WeakPolarHBondContact O-CB 3.48Å; V198-M201 PolarHBondContact O-N 3.3Å; V198-L202 HydrophobicContact CG1-CD1 4.48Å; V198-L202 WeakPolarHBondContact O-CG 3.49Å; V198-L202 PolarHBondContact O-N 2.82Å; V198-A214 HydrophobicContact CB-CB 4.45Å; V198-A214 HydrophobicContact CG1-CB 3.83Å; V198-A214 HydrophobicContact CG2-CB 3.86Å; V198-M218 HydrophobicContact CB-CB 3.93Å; V198-M218 HydrophobicContact CB-CG 4.27Å; V198-M218 HydrophobicContact CB-SD 4.07Å; V198-M218 HydrophobicContact CG1-CB 3.81Å; V198-M218 HydrophobicContact CG1-CG 4.28Å; V198-M218 HydrophobicContact CG1-SD 3.72Å; V198-M218 HydrophobicContact CG2-CB 4.17Å
199	E	98	Very high	97	Very high	89 Å²	89	54.3 Å²	54.3	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-40.6	169.8	-77.2	-172.7	175.8	0	0	111.9	V195 R197 M201 L202 R203 M218 Y222	V195-E199 HydrophobicContact CG1-CG 4.18Å; V195-E199 WeakPolarHBondContact O-CB 3.5Å; V195-E199 WeakPolarHBondContact O-CG 3.45Å; V195-E199 PolarHBondContact O-N 2.87Å; R197-E199 PolarHBondContact O-N 3.25Å; E199-M201 VanDerWaalsContact C-N 3.35Å; E199-L202 PolarHBondContact O-N 2.94Å; E199-R203 WeakPolarHBondContact O-CB 3.5Å; E199-R203 PolarHBondContact O-N 3.43Å; E199-M218 HydrophobicContact CG-CE 3.45Å; E199-M218 VanDerWaalsContact CG-CE 3.45Å; E199-Y222 PolarHBondContact OE1-OH 3.17Å
200	G	97.5	Very high	96.9	Very high	11 Å²	11	53 Å²	53	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-45.3	171.1	0	0	0	0	0	112.2	N196 R197 V198 R203 D204	N196-G200 PolarHBondContact O-N 3.05Å; N196-G200 VanDerWaalsContact O-N 3.1Å; R197-G200 CarbonylContact O-C 3.55Å; R197-G200 WeakPolarHBondContact O-CA 3.3Å; R197-G200 PolarHBondContact O-N 3.41Å; R197-G200 VanDerWaalsContact O-N 3.1Å; V198-G200 VanDerWaalsContact C-N 3.32Å; V198-G200 PolarHBondContact O-N 2.81Å; G200-R203 PolarHBondContact O-N 2.81Å; G200-D204 WeakPolarHBondContact O-CB 3.29Å; G200-D204 PolarHBondContact O-N 3.45Å
201	M	97.8	Very high	96.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.4	-64.9	173.5	74.1	0	0	112.7	A175 E178 R197 V198 E199 R203 D204 Y205 A210 T211 A214	A175-M201 WeakPolarHBondContact O-CE 3.45Å; E178-M201 HydrophobicContact CB-CE 4.36Å; E178-M201 HydrophobicContact CB-CG 3.43Å; E178-M201 VanDerWaalsContact CB-CG 3.43Å; E178-M201 HydrophobicContact CB-SD 3.79Å; E178-M201 HydrophobicContact CG-CG 4.25Å; R197-M201 WeakPolarHBondContact O-CG 3.22Å; R197-M201 PolarHBondContact O-N 3.21Å; V198-M201 WeakPolarHBondContact O-CB 3.48Å; V198-M201 PolarHBondContact O-N 3.3Å; E199-M201 VanDerWaalsContact C-N 3.35Å; M201-R203 VanDerWaalsContact C-N 3.27Å; M201-R203 PolarHBondContact O-N 3.26Å; M201-D204 PolarHBondContact O-N 3.47Å; M201-Y205 CarbonylContact O-C 3.52Å; M201-Y205 VanDerWaalsContact O-CA 3.25Å; M201-Y205 WeakPolarHBondContact O-CA 3.29Å; M201-Y205 PolarHBondContact O-N 3.35Å; M201-A210 HydrophobicContact CE-CB 4.25Å; M201-A210 WeakPolarHBondContact CE-O 3.43Å; M201-T211 HydrophobicContact CB-CG2 4.11Å; M201-A214 HydrophobicContact CE-CB 3.83Å; M201-A214 HydrophobicContact SD-CB 3.79Å
202	L	97.3	Very high	96.8	Very high	56 Å²	56	53.2 Å²	53.2	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-32.9	175.7	-76.3	168.3	0	0	0	112.4	V198 E199 P206 T211 L215 M218	V198-L202 HydrophobicContact CG1-CD1 4.48Å; V198-L202 WeakPolarHBondContact O-CG 3.49Å; V198-L202 PolarHBondContact O-N 2.82Å; E199-L202 PolarHBondContact O-N 2.94Å; L202-P206 WeakPolarHBondContact O-CB 3.43Å; L202-T211 HydrophobicContact CD2-CG2 3.77Å; L202-T211 HydrophobicContact CG-CG2 4.12Å; L202-L215 HydrophobicContact CD1-CD2 4.01Å; L202-L215 HydrophobicContact CD2-CD2 3.92Å; L202-L215 HydrophobicContact CG-CD2 4.3Å; L202-M218 HydrophobicContact CD1-CE 4.44Å; L202-M218 HydrophobicContact CD1-SD 4Å
203	R	96.1	Very high	96.7	Very high	180 Å²	180	52.2 Å²	52.2	68%	0.679	26%	0.257	S	S	*	.	H	α-helix	trans	-75.5	-45.9	176.6	-176.1	-172	64.3	-134.2	-9.8	112	E199 G200 M201	E199-R203 WeakPolarHBondContact O-CB 3.5Å; E199-R203 PolarHBondContact O-N 3.43Å; G200-R203 PolarHBondContact O-N 2.81Å; M201-R203 VanDerWaalsContact C-N 3.27Å; M201-R203 PolarHBondContact O-N 3.26Å
204	D	92.2	Very high	96.7	Very high	74 Å²	74	51 Å²	51	40%	0.396	25%	0.246	S	C	.	.	H	α-helix	trans	-95.7	-32.4	-166.6	-59	-25.4	0	0	0	112.2	G200 M201	G200-D204 WeakPolarHBondContact O-CB 3.29Å; G200-D204 PolarHBondContact O-N 3.45Å; M201-D204 PolarHBondContact O-N 3.47Å
205	Y	94.5	Very high	96.7	Very high	23 Å²	23	51.2 Å²	51.2	9%	0.09	25%	0.247	C	C	.	.			trans	-135.7	48.8	-174.4	-43.6	-61	0	0	0	113.9	K171 L174 A175 E178 M201 D207 T208 T211	K171-Y205 HydrophobicContact CG-CD1 3.57Å; K171-Y205 HydrophobicContact CG-CE1 4.3Å; K171-Y205 HydrophobicContact CG-CG 4.43Å; L174-Y205 HydrophobicContact CB-CE1 3.91Å; L174-Y205 HydrophobicContact CB-CE2 4.12Å; L174-Y205 HydrophobicContact CD1-CE1 4.13Å; A175-Y205 HydrophobicContact CB-CD2 4.02Å; A175-Y205 HydrophobicContact CB-CG 4.01Å; E178-Y205 HydrophobicContact CG-CE2 4.24Å; M201-Y205 CarbonylContact O-C 3.52Å; M201-Y205 VanDerWaalsContact O-CA 3.25Å; M201-Y205 WeakPolarHBondContact O-CA 3.29Å; M201-Y205 PolarHBondContact O-N 3.35Å; Y205-D207 PolarHBondContact O-N 3.48Å; Y205-D207 VanDerWaalsContact O-N 3.09Å; Y205-T208 PolarHBondContact O-N 2.95Å; Y205-T208 PolarHBondContact O-OG1 3.35Å; Y205-T211 VanDerWaalsContact O-CB 3.28Å; Y205-T211 WeakPolarHBondContact O-CB 3.49Å; Y205-T211 PolarHBondContact O-OG1 3.05Å
206	P	95.4	Very high	96.7	Very high	75 Å²	75	53.9 Å²	53.9	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	-171.3	21.7	-33.1	0	0	0	115.9	L202	L202-P206 WeakPolarHBondContact O-CB 3.43Å
207	D	94.5	Very high	96.7	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	2.5	-172.1	59.5	-13.6	0	0	0	113.7	K171 Y205	K171-D207 WeakPolarHBondContact CD-OD1 3.49Å; K171-D207 WeakPolarHBondContact CE-OD1 3.39Å; K171-D207 IonicContact NZ-OD1 2.87Å; K171-D207 PolarHBondContact NZ-OD1 2.95Å; K171-D207 IonicContact NZ-OD2 3.94Å; K171-D207 PolarHBondContact NZ-OD2 2.83Å; Y205-D207 PolarHBondContact O-N 3.48Å; Y205-D207 VanDerWaalsContact O-N 3.09Å
208	T	96	Very high	96.7	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	23%	0.234	C	C	.	.	S	Bend	trans	-86.8	154.7	179.2	63.3	0	0	0	0	111.7	K171 A175 Y205 T211 R212	K171-T208 HydrophobicContact CB-CG2 4.31Å; K171-T208 HydrophobicContact CD-CG2 4.11Å; K171-T208 HydrophobicContact CG-CG2 3.79Å; A175-T208 HydrophobicContact CB-CG2 3.91Å; A175-T208 WeakPolarHBondContact CB-OG1 3.32Å; Y205-T208 PolarHBondContact O-N 2.95Å; Y205-T208 PolarHBondContact O-OG1 3.35Å; T208-T211 PolarHBondContact O-N 3.18Å; T208-T211 PolarHBondContact OG1-N 3.19Å; T208-T211 PolarHBondContact OG1-OG1 3.09Å; T208-R212 PolarHBondContact O-N 3.09Å
209	Q	95	Very high	96.7	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-43.6	177.7	-174.6	56.6	40	0	0	111.3	T211 R212 D213	Q209-T211 PolarHBondContact O-N 3.47Å; Q209-R212 WeakPolarHBondContact O-CA 3.23Å; Q209-R212 WeakPolarHBondContact O-CB 3.32Å; Q209-R212 PolarHBondContact O-N 3.1Å; Q209-D213 PolarHBondContact NE2-OD1 3Å; Q209-D213 VanDerWaalsContact O-CG 3.31Å; Q209-D213 PolarHBondContact O-N 2.88Å
210	A	96.2	Very high	96.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-35.3	177.8	0	0	0	0	0	113	A175 K176 Y179 M201 D213 A214	A175-A210 HydrophobicContact CB-CB 3.91Å; K176-A210 HydrophobicContact CG-CB 4.04Å; Y179-A210 WeakPolarHBondContact CD2-O 3.26Å; M201-A210 HydrophobicContact CE-CB 4.25Å; M201-A210 WeakPolarHBondContact CE-O 3.43Å; A210-D213 PolarHBondContact O-N 2.84Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 2.88Å
211	T	97.6	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-36.7	175.1	-60.7	0	0	0	0	112.4	M201 L202 Y205 T208 Q209 A214 L215	M201-T211 HydrophobicContact CB-CG2 4.11Å; L202-T211 HydrophobicContact CD2-CG2 3.77Å; L202-T211 HydrophobicContact CG-CG2 4.12Å; Y205-T211 VanDerWaalsContact O-CB 3.28Å; Y205-T211 WeakPolarHBondContact O-CB 3.49Å; Y205-T211 PolarHBondContact O-OG1 3.05Å; T208-T211 PolarHBondContact O-N 3.18Å; T208-T211 PolarHBondContact OG1-N 3.19Å; T208-T211 PolarHBondContact OG1-OG1 3.09Å; Q209-T211 PolarHBondContact O-N 3.47Å; T211-A214 WeakPolarHBondContact O-CB 3.46Å; T211-A214 PolarHBondContact O-N 3.36Å; T211-L215 PolarHBondContact O-N 3.49Å
212	R	96.6	Very high	96.9	Very high	100 Å²	100	48.2 Å²	48.2	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-43.5	173.8	-62.8	178.7	-173.4	158.9	-0.7	111	T208 Q209 A214 L215 P216	T208-R212 PolarHBondContact O-N 3.09Å; Q209-R212 WeakPolarHBondContact O-CA 3.23Å; Q209-R212 WeakPolarHBondContact O-CB 3.32Å; Q209-R212 PolarHBondContact O-N 3.1Å; R212-A214 PolarHBondContact O-N 3.08Å; R212-L215 WeakPolarHBondContact O-CB 3.22Å; R212-L215 PolarHBondContact O-N 2.81Å; R212-P216 WeakPolarHBondContact O-CD 3.43Å
213	D	97	Very high	96.9	Very high	73 Å²	73	49.4 Å²	49.4	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-25.8	178	-58.8	-21.5	0	0	0	111.8	Y179 Q209 A210 P216	Y179-D213 HydrophobicContact CD2-CB 4.36Å; Y179-D213 HydrophobicContact CE2-CB 3.85Å; Q209-D213 PolarHBondContact NE2-OD1 3Å; Q209-D213 VanDerWaalsContact O-CG 3.31Å; Q209-D213 PolarHBondContact O-N 2.88Å; A210-D213 PolarHBondContact O-N 2.84Å; D213-P216 WeakPolarHBondContact O-CD 3.43Å
214	A	98.1	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-75.1	-22.5	175.9	0	0	0	0	0	114.2	Y179 V198 M201 A210 T211 R212 L217 M218	Y179-A214 HydrophobicContact CD2-CB 3.82Å; Y179-A214 HydrophobicContact CE2-CB 4.35Å; V198-A214 HydrophobicContact CB-CB 4.45Å; V198-A214 HydrophobicContact CG1-CB 3.83Å; V198-A214 HydrophobicContact CG2-CB 3.86Å; M201-A214 HydrophobicContact CE-CB 3.83Å; M201-A214 HydrophobicContact SD-CB 3.79Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 2.88Å; T211-A214 WeakPolarHBondContact O-CB 3.46Å; T211-A214 PolarHBondContact O-N 3.36Å; R212-A214 PolarHBondContact O-N 3.08Å; A214-L217 VanDerWaalsContact O-CB 3.31Å; A214-L217 WeakPolarHBondContact O-CB 3.47Å; A214-L217 PolarHBondContact O-N 3.2Å; A214-M218 PolarHBondContact O-N 2.89Å
215	L	98.2	Very high	97.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-43.9	-175.9	-68	174.5	0	0	0	112.8	L202 T211 R212 L217 M218 E219 V234 I237 I238	L202-L215 HydrophobicContact CD1-CD2 4.01Å; L202-L215 HydrophobicContact CD2-CD2 3.92Å; L202-L215 HydrophobicContact CG-CD2 4.3Å; T211-L215 PolarHBondContact O-N 3.49Å; R212-L215 WeakPolarHBondContact O-CB 3.22Å; R212-L215 PolarHBondContact O-N 2.81Å; L215-L217 VanDerWaalsContact C-N 3.25Å; L215-L217 PolarHBondContact O-N 2.99Å; L215-M218 WeakPolarHBondContact O-CB 2.94Å; L215-M218 PolarHBondContact O-N 2.86Å; L215-M218 VanDerWaalsContact O-N 3.14Å; L215-E219 PolarHBondContact O-N 2.75Å; L215-V234 HydrophobicContact CB-CG1 4.22Å; L215-V234 HydrophobicContact CD2-CG1 4.37Å; L215-V234 WeakPolarHBondContact O-CG1 3.36Å; L215-I237 HydrophobicContact CD1-CG2 3.82Å; L215-I238 HydrophobicContact CB-CD1 3.88Å; L215-I238 HydrophobicContact CB-CG1 3.52Å; L215-I238 HydrophobicContact CD1-CG1 3.98Å; L215-I238 HydrophobicContact CG-CG1 4.39Å
216	P	98.2	Very high	97.5	Very high	66 Å²	66	50.5 Å²	50.5	43%	0.429	25%	0.25	S	S	.	.	H	α-helix	trans	-55	-35.7	171	-28.6	34.6	0	0	0	114.5	R212 D213 E219 N220 I238	R212-P216 WeakPolarHBondContact O-CD 3.43Å; D213-P216 WeakPolarHBondContact O-CD 3.43Å; P216-E219 PolarHBondContact O-N 3.38Å; P216-N220 WeakPolarHBondContact O-CB 3.36Å; P216-N220 PolarHBondContact O-N 2.91Å; P216-I238 HydrophobicContact CG-CD1 4.2Å
217	L	98.5	Very high	97.6	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-42.4	176.8	-53.7	-179.6	0	0	0	110.9	Y179 A182 E183 T186 V194 A214 L215 N220 A221	Y179-L217 HydrophobicContact CD2-CD1 4.27Å; Y179-L217 HydrophobicContact CE2-CD1 3.79Å; A182-L217 HydrophobicContact CB-CD1 4.13Å; E183-L217 HydrophobicContact CG-CD1 3.84Å; T186-L217 HydrophobicContact CG2-CD2 4.17Å; V194-L217 HydrophobicContact CG1-CB 3.98Å; A214-L217 VanDerWaalsContact O-CB 3.31Å; A214-L217 WeakPolarHBondContact O-CB 3.47Å; A214-L217 PolarHBondContact O-N 3.2Å; L215-L217 VanDerWaalsContact C-N 3.25Å; L215-L217 PolarHBondContact O-N 2.99Å; L217-N220 PolarHBondContact O-N 3.39Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.22Å
218	M	98.5	Very high	97.7	Very high	9 Å²	9	49.5 Å²	49.5	4%	0.044	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.3	-172.7	-179.1	-174.2	0	0	112.2	V195 V198 E199 L202 A214 L215 A221 Y222 V234	V195-M218 HydrophobicContact CG1-CE 4.28Å; V195-M218 HydrophobicContact CG2-CG 4.36Å; V198-M218 HydrophobicContact CB-CB 3.93Å; V198-M218 HydrophobicContact CB-CG 4.27Å; V198-M218 HydrophobicContact CB-SD 4.07Å; V198-M218 HydrophobicContact CG1-CB 3.81Å; V198-M218 HydrophobicContact CG1-CG 4.28Å; V198-M218 HydrophobicContact CG1-SD 3.72Å; V198-M218 HydrophobicContact CG2-CB 4.17Å; E199-M218 HydrophobicContact CG-CE 3.45Å; E199-M218 VanDerWaalsContact CG-CE 3.45Å; L202-M218 HydrophobicContact CD1-CE 4.44Å; L202-M218 HydrophobicContact CD1-SD 4Å; A214-M218 PolarHBondContact O-N 2.89Å; L215-M218 WeakPolarHBondContact O-CB 2.94Å; L215-M218 PolarHBondContact O-N 2.86Å; L215-M218 VanDerWaalsContact O-N 3.14Å; M218-A221 PolarHBondContact O-N 2.91Å; M218-Y222 HydrophobicContact CE-CE2 3.59Å; M218-Y222 WeakPolarHBondContact CE-OH 3.29Å; M218-Y222 HydrophobicContact CG-CD2 4.1Å; M218-Y222 HydrophobicContact CG-CE2 3.68Å; M218-Y222 VanDerWaalsContact O-CD2 3.27Å; M218-Y222 WeakPolarHBondContact O-CD2 3.44Å; M218-Y222 PolarHBondContact O-N 3.06Å; M218-Y222 HydrophobicContact SD-CE2 4.3Å; M218-V234 HydrophobicContact CE-CG2 4.39Å; M218-V234 HydrophobicContact CG-CG2 4.12Å; M218-V234 HydrophobicContact SD-CG2 4.03Å
219	E	98.6	Very high	97.8	Very high	41 Å²	41	52.4 Å²	52.4	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-51.3	173.9	-173.5	-171.3	162.7	0	0	111	L215 P216 A221 Y222 R223 A231 V234 I238	L215-E219 PolarHBondContact O-N 2.75Å; P216-E219 PolarHBondContact O-N 3.38Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.81Å; E219-Y222 PolarHBondContact O-N 2.89Å; E219-R223 WeakPolarHBondContact O-CG 3.37Å; E219-R223 PolarHBondContact O-N 3.4Å; E219-R223 IonicContact OE1-CZ 2.88Å; E219-R223 VanDerWaalsContact OE1-CZ 3.25Å; E219-R223 IonicContact OE1-NE 3.01Å; E219-R223 PolarHBondContact OE1-NE 3.49Å; E219-R223 IonicContact OE1-NH2 3.42Å; E219-R223 PolarHBondContact OE1-NH2 3.2Å; E219-A231 HydrophobicContact CG-CB 4.18Å; E219-V234 HydrophobicContact CB-CB 4.26Å; E219-V234 HydrophobicContact CB-CG1 3.91Å; E219-I238 HydrophobicContact CB-CD1 4.49Å; E219-I238 WeakPolarHBondContact OE2-CD1 3.22Å
220	N	98.4	Very high	98	Very high	60 Å²	60	51.2 Å²	51.2	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-46.9	177.8	179.2	47.6	0	0	0	110.8	P216 L217 Y222 R223 Q224	P216-N220 WeakPolarHBondContact O-CB 3.36Å; P216-N220 PolarHBondContact O-N 2.91Å; L217-N220 PolarHBondContact O-N 3.39Å; N220-Y222 VanDerWaalsContact C-N 3.34Å; N220-Y222 PolarHBondContact O-N 3.5Å; N220-R223 PolarHBondContact O-N 3.17Å; N220-R223 VanDerWaalsContact O-N 3.09Å; N220-Q224 VanDerWaalsContact O-CG 3.26Å; N220-Q224 WeakPolarHBondContact O-CG 3.48Å; N220-Q224 PolarHBondContact O-N 3.14Å; N220-Q224 PolarHBondContact OD1-NE2 3.21Å
221	A	98.6	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-44.3	177.6	0	0	0	0	0	112.6	W191 V194 V195 L217 M218 E219 Q224 M225	W191-A221 HydrophobicContact CB-CB 4.06Å; W191-A221 HydrophobicContact CE3-CB 4.08Å; V194-A221 HydrophobicContact CB-CB 3.95Å; V194-A221 HydrophobicContact CG1-CB 3.91Å; V195-A221 HydrophobicContact CG2-CB 3.87Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.22Å; M218-A221 PolarHBondContact O-N 2.91Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.81Å; A221-Q224 PolarHBondContact O-N 3.38Å; A221-M225 WeakPolarHBondContact O-CE 3.24Å; A221-M225 WeakPolarHBondContact O-CG 3.43Å; A221-M225 PolarHBondContact O-N 3.25Å
222	Y	98.7	Very high	98.1	Very high	21 Å²	21	55.3 Å²	55.3	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-40.6	174.7	-75.6	-49.9	0	0	0	112.9	V195 E199 M218 E219 N220 M225 Q226 M227 Q230 V234	V195-Y222 HydrophobicContact CB-CE1 4.45Å; V195-Y222 HydrophobicContact CG1-CE1 3.81Å; V195-Y222 WeakPolarHBondContact CG1-OH 3.03Å; V195-Y222 HydrophobicContact CG2-CD1 4Å; V195-Y222 HydrophobicContact CG2-CE1 3.75Å; V195-Y222 HydrophobicContact CG2-CE2 4.44Å; V195-Y222 HydrophobicContact CG2-CG 4.42Å; E199-Y222 PolarHBondContact OE1-OH 3.17Å; M218-Y222 HydrophobicContact CE-CE2 3.59Å; M218-Y222 WeakPolarHBondContact CE-OH 3.29Å; M218-Y222 HydrophobicContact CG-CD2 4.1Å; M218-Y222 HydrophobicContact CG-CE2 3.68Å; M218-Y222 VanDerWaalsContact O-CD2 3.27Å; M218-Y222 WeakPolarHBondContact O-CD2 3.44Å; M218-Y222 PolarHBondContact O-N 3.06Å; M218-Y222 HydrophobicContact SD-CE2 4.3Å; E219-Y222 PolarHBondContact O-N 2.89Å; N220-Y222 VanDerWaalsContact C-N 3.34Å; N220-Y222 PolarHBondContact O-N 3.5Å; Y222-M225 HydrophobicContact CD1-CE 3.91Å; Y222-M225 HydrophobicContact CE1-CE 4.41Å; Y222-M225 CarbonylContact O-C 3.6Å; Y222-M225 PolarHBondContact O-N 2.85Å; Y222-Q226 PolarHBondContact O-N 3.01Å; Y222-M227 HydrophobicContact CD1-CB 4Å; Y222-M227 HydrophobicContact CD1-CE 4.18Å; Y222-M227 HydrophobicContact CD1-SD 4.02Å; Y222-M227 HydrophobicContact CE1-CE 4.12Å; Y222-M227 HydrophobicContact CE1-SD 4.39Å; Y222-M227 PolarHBondContact O-N 3.23Å; Y222-Q230 HydrophobicContact CD1-CB 3.74Å; Y222-Q230 HydrophobicContact CD1-CG 4.41Å; Y222-Q230 HydrophobicContact CD2-CB 3.77Å; Y222-Q230 HydrophobicContact CE1-CB 3.85Å; Y222-Q230 HydrophobicContact CE1-CG 4.2Å; Y222-Q230 HydrophobicContact CE2-CB 3.84Å; Y222-Q230 HydrophobicContact CG-CB 3.72Å; Y222-V234 HydrophobicContact CD2-CG2 3.88Å; Y222-V234 HydrophobicContact CE2-CG2 3.71Å
223	R	98.4	Very high	98.1	Very high	82 Å²	82	57.4 Å²	57.4	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-41.7	176.6	-67.4	-173	-172.4	-72.8	1.4	111.5	E219 N220 M225 Q226 A231 E232	E219-R223 WeakPolarHBondContact O-CG 3.37Å; E219-R223 PolarHBondContact O-N 3.4Å; E219-R223 IonicContact OE1-CZ 2.88Å; E219-R223 VanDerWaalsContact OE1-CZ 3.25Å; E219-R223 IonicContact OE1-NE 3.01Å; E219-R223 PolarHBondContact OE1-NE 3.49Å; E219-R223 IonicContact OE1-NH2 3.42Å; E219-R223 PolarHBondContact OE1-NH2 3.2Å; N220-R223 PolarHBondContact O-N 3.17Å; N220-R223 VanDerWaalsContact O-N 3.09Å; R223-M225 VanDerWaalsContact C-N 3.28Å; R223-M225 PolarHBondContact O-N 2.79Å; R223-Q226 PolarHBondContact O-N 3.3Å; R223-A231 HydrophobicContact CG-CB 3.56Å; R223-E232 IonicContact CZ-OE1 2.71Å; R223-E232 IonicContact NH1-OE1 2.9Å; R223-E232 PolarHBondContact NH1-OE1 3.16Å; R223-E232 IonicContact NH2-OE1 3.38Å; R223-E232 PolarHBondContact NH2-OE1 3.3Å
224	Q	98.3	Very high	98.2	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-33.3	176	-63.7	-64.5	-24.2	0	0	112.4	W191 N220 A221 Q226	W191-Q224 HydrophobicContact CD2-CB 3.73Å; W191-Q224 HydrophobicContact CD2-CG 3.97Å; W191-Q224 VanDerWaalsContact CE2-CB 3.49Å; W191-Q224 HydrophobicContact CE3-CB 4.47Å; W191-Q224 HydrophobicContact CE3-CG 4.33Å; W191-Q224 HydrophobicContact CG-CB 3.83Å; W191-Q224 HydrophobicContact CH2-CG 4.04Å; W191-Q224 HydrophobicContact CZ2-CB 4.07Å; W191-Q224 HydrophobicContact CZ2-CG 3.62Å; W191-Q224 HydrophobicContact CZ3-CG 4.36Å; N220-Q224 VanDerWaalsContact O-CG 3.26Å; N220-Q224 WeakPolarHBondContact O-CG 3.48Å; N220-Q224 PolarHBondContact O-N 3.14Å; N220-Q224 PolarHBondContact OD1-NE2 3.21Å; A221-Q224 PolarHBondContact O-N 3.38Å; Q224-Q226 VanDerWaalsContact C-N 3.26Å; Q224-Q226 PolarHBondContact O-N 3.47Å
225	M	98	Very high	98.1	Very high	52 Å²	52	55.3 Å²	55.3	26%	0.256	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	7.1	174.1	-65.5	-172.9	-65.5	0	0	114.1	W191 V192 V195 A221 Y222 R223 M227	W191-M225 HydrophobicContact CB-CE 4.21Å; W191-M225 HydrophobicContact CB-CG 3.58Å; W191-M225 HydrophobicContact CB-SD 3.74Å; W191-M225 HydrophobicContact CG-CG 4.23Å; V192-M225 HydrophobicContact CB-SD 4.49Å; V192-M225 HydrophobicContact CG2-SD 3.61Å; V195-M225 HydrophobicContact CG2-CE 3.62Å; A221-M225 WeakPolarHBondContact O-CE 3.24Å; A221-M225 WeakPolarHBondContact O-CG 3.43Å; A221-M225 PolarHBondContact O-N 3.25Å; Y222-M225 HydrophobicContact CD1-CE 3.91Å; Y222-M225 HydrophobicContact CE1-CE 4.41Å; Y222-M225 CarbonylContact O-C 3.6Å; Y222-M225 PolarHBondContact O-N 2.85Å; R223-M225 VanDerWaalsContact C-N 3.28Å; R223-M225 PolarHBondContact O-N 2.79Å; M225-M227 HydrophobicContact CB-CG 4.12Å; M225-M227 HydrophobicContact CB-SD 4.17Å; M225-M227 HydrophobicContact CE-SD 4.12Å; M225-M227 PolarHBondContact O-N 3.29Å
226	Q	98.1	Very high	98.1	Very high	148 Å²	148	62.5 Å²	62.5	69%	0.692	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	23.6	-177	-55.4	-65.8	-42.7	0	0	114.1	Y222 R223 Q224 N228	Y222-Q226 PolarHBondContact O-N 3.01Å; R223-Q226 PolarHBondContact O-N 3.3Å; Q224-Q226 VanDerWaalsContact C-N 3.26Å; Q224-Q226 PolarHBondContact O-N 3.47Å; Q226-N228 PolarHBondContact O-N 3.07Å
227	M	98.1	Very high	98	Very high	69 Å²	69	62.9 Å²	62.9	34%	0.34	31%	0.309	S	S	.	.			trans	-95.6	59	179.5	-65.1	179.1	69.8	0	0	111	Y222 M225 A229 Q230 A231	Y222-M227 HydrophobicContact CD1-CB 4Å; Y222-M227 HydrophobicContact CD1-CE 4.18Å; Y222-M227 HydrophobicContact CD1-SD 4.02Å; Y222-M227 HydrophobicContact CE1-CE 4.12Å; Y222-M227 HydrophobicContact CE1-SD 4.39Å; Y222-M227 PolarHBondContact O-N 3.23Å; M225-M227 HydrophobicContact CB-CG 4.12Å; M225-M227 HydrophobicContact CB-SD 4.17Å; M225-M227 HydrophobicContact CE-SD 4.12Å; M225-M227 PolarHBondContact O-N 3.29Å; M227-A229 VanDerWaalsContact C-N 3.29Å; M227-A229 PolarHBondContact O-N 3.11Å; M227-Q230 HydrophobicContact CB-CB 4.42Å; M227-Q230 HydrophobicContact CE-CG 4Å; M227-Q230 PolarHBondContact O-N 3.06Å; M227-Q230 VanDerWaalsContact O-N 3.1Å; M227-Q230 PolarHBondContact O-OE1 2.95Å; M227-A231 PolarHBondContact O-N 2.89Å; M227-A231 VanDerWaalsContact O-N 3.11Å
228	N	97.4	Very high	97.8	Very high	81 Å²	81	63.4 Å²	63.4	43%	0.433	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-36	-171.6	-65.6	-50	0	0	0	113.3	Q226 Q230 A231 E232	Q226-N228 PolarHBondContact O-N 3.07Å; N228-Q230 VanDerWaalsContact C-N 3.26Å; N228-Q230 PolarHBondContact O-N 3.23Å; N228-A231 PolarHBondContact O-N 3.24Å; N228-E232 WeakPolarHBondContact O-CG 3.43Å; N228-E232 PolarHBondContact O-N 3.33Å
229	A	98.1	Very high	97.7	Very high	69 Å²	69	66.1 Å²	66.1	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-62	-34.4	178.9	0	0	0	0	0	112.8	M227 K233	M227-A229 VanDerWaalsContact C-N 3.29Å; M227-A229 PolarHBondContact O-N 3.11Å; A229-K233 WeakPolarHBondContact O-CG 3.5Å; A229-K233 PolarHBondContact O-N 3.06Å
230	Q	97.9	Very high	97.5	Very high	68 Å²	68	66.8 Å²	66.8	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-77.5	-41.7	176.7	-69.4	76.6	-1.6	0	0	110.7	Y222 M227 N228 E232 K233 V234	Y222-Q230 HydrophobicContact CD1-CB 3.74Å; Y222-Q230 HydrophobicContact CD1-CG 4.41Å; Y222-Q230 HydrophobicContact CD2-CB 3.77Å; Y222-Q230 HydrophobicContact CE1-CB 3.85Å; Y222-Q230 HydrophobicContact CE1-CG 4.2Å; Y222-Q230 HydrophobicContact CE2-CB 3.84Å; Y222-Q230 HydrophobicContact CG-CB 3.72Å; M227-Q230 HydrophobicContact CB-CB 4.42Å; M227-Q230 HydrophobicContact CE-CG 4Å; M227-Q230 PolarHBondContact O-N 3.06Å; M227-Q230 VanDerWaalsContact O-N 3.1Å; M227-Q230 PolarHBondContact O-OE1 2.95Å; N228-Q230 VanDerWaalsContact C-N 3.26Å; N228-Q230 PolarHBondContact O-N 3.23Å; Q230-E232 VanDerWaalsContact C-N 3.31Å; Q230-E232 PolarHBondContact O-N 3.14Å; Q230-K233 WeakPolarHBondContact O-CB 3.5Å; Q230-K233 PolarHBondContact O-N 2.88Å; Q230-V234 PolarHBondContact O-N 3.41Å
231	A	98.1	Very high	97	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-55.5	-45.8	173.4	0	0	0	0	0	111.7	E219 R223 M227 N228 K233 V234 A235	E219-A231 HydrophobicContact CG-CB 4.18Å; R223-A231 HydrophobicContact CG-CB 3.56Å; M227-A231 PolarHBondContact O-N 2.89Å; M227-A231 VanDerWaalsContact O-N 3.11Å; N228-A231 PolarHBondContact O-N 3.24Å; A231-K233 VanDerWaalsContact C-N 3.28Å; A231-K233 PolarHBondContact O-N 3.16Å; A231-V234 PolarHBondContact O-N 3.38Å; A231-V234 VanDerWaalsContact O-N 3.12Å; A231-A235 PolarHBondContact O-N 3.42Å
232	E	98.1	Very high	96.2	Very high	92 Å²	92	70.2 Å²	70.2	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-29	177	-67.2	-51.8	131.8	0	0	113.3	R223 N228 Q230 K236	R223-E232 IonicContact CZ-OE1 2.71Å; R223-E232 IonicContact NH1-OE1 2.9Å; R223-E232 PolarHBondContact NH1-OE1 3.16Å; R223-E232 IonicContact NH2-OE1 3.38Å; R223-E232 PolarHBondContact NH2-OE1 3.3Å; N228-E232 WeakPolarHBondContact O-CG 3.43Å; N228-E232 PolarHBondContact O-N 3.33Å; Q230-E232 VanDerWaalsContact C-N 3.31Å; Q230-E232 PolarHBondContact O-N 3.14Å; E232-K236 WeakPolarHBondContact O-CG 3.34Å; E232-K236 PolarHBondContact O-N 2.92Å
233	K	98	Very high	94.4	Very high	144 Å²	144	73.4 Å²	73.4	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-68.3	-44.3	171.9	-71.4	176.3	-178.4	-175.7	0	111.1	A229 Q230 A231 K236 I237	A229-K233 WeakPolarHBondContact O-CG 3.5Å; A229-K233 PolarHBondContact O-N 3.06Å; Q230-K233 WeakPolarHBondContact O-CB 3.5Å; Q230-K233 PolarHBondContact O-N 2.88Å; A231-K233 VanDerWaalsContact C-N 3.28Å; A231-K233 PolarHBondContact O-N 3.16Å; K233-K236 PolarHBondContact O-N 3.03Å; K233-I237 WeakPolarHBondContact O-CG1 3.3Å; K233-I237 PolarHBondContact O-N 3.01Å
234	V	97.7	Very high	92.4	Very high	6 Å²	6	75.8 Å²	75.8	4%	0.036	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-43.8	177.3	179.8	0	0	0	0	110.7	L215 M218 E219 Y222 Q230 A231 K236 I237 I238	L215-V234 HydrophobicContact CB-CG1 4.22Å; L215-V234 HydrophobicContact CD2-CG1 4.37Å; L215-V234 WeakPolarHBondContact O-CG1 3.36Å; M218-V234 HydrophobicContact CE-CG2 4.39Å; M218-V234 HydrophobicContact CG-CG2 4.12Å; M218-V234 HydrophobicContact SD-CG2 4.03Å; E219-V234 HydrophobicContact CB-CB 4.26Å; E219-V234 HydrophobicContact CB-CG1 3.91Å; Y222-V234 HydrophobicContact CD2-CG2 3.88Å; Y222-V234 HydrophobicContact CE2-CG2 3.71Å; Q230-V234 PolarHBondContact O-N 3.41Å; A231-V234 PolarHBondContact O-N 3.38Å; A231-V234 VanDerWaalsContact O-N 3.12Å; V234-K236 VanDerWaalsContact C-N 3.28Å; V234-K236 PolarHBondContact O-N 3.46Å; V234-I237 WeakPolarHBondContact O-CA 3.49Å; V234-I237 WeakPolarHBondContact O-CB 3.15Å; V234-I237 PolarHBondContact O-N 3.13Å; V234-I238 HydrophobicContact CG1-CD1 4.04Å; V234-I238 HydrophobicContact CG1-CG1 4.38Å; V234-I238 WeakPolarHBondContact O-CG1 3.39Å; V234-I238 PolarHBondContact O-N 3.35Å
235	A	97.3	Very high	90	Very high	23 Å²	23	78.7 Å²	78.7	19%	0.19	44%	0.441	C	S	.	.	H	α-helix	trans	-56.6	-40.4	176.5	0	0	0	0	0	112.5	A231 I237 I238 A239	A231-A235 PolarHBondContact O-N 3.42Å; A235-I237 PolarHBondContact O-N 3.46Å; A235-I238 PolarHBondContact O-N 2.9Å; A235-A239 WeakPolarHBondContact O-CB 3.32Å; A235-A239 PolarHBondContact O-N 2.91Å
236	K	97	Very high	89.6	Confident	155 Å²	155	80 Å²	80	67%	0.674	45%	0.451	S	S	*	.	H	α-helix	trans	-63.4	-38	173.3	-73.9	176.1	-177.9	-177.9	0	112.8	E232 K233 V234 A240	E232-K236 WeakPolarHBondContact O-CG 3.34Å; E232-K236 PolarHBondContact O-N 2.92Å; K233-K236 PolarHBondContact O-N 3.03Å; V234-K236 VanDerWaalsContact C-N 3.28Å; V234-K236 PolarHBondContact O-N 3.46Å; K236-A240 WeakPolarHBondContact O-CB 3.5Å; K236-A240 PolarHBondContact O-N 3.25Å
237	I	95.6	Very high	89.1	Confident	74 Å²	74	76.4 Å²	76.4	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-67	-43.3	176.3	-63.2	168.2	0	0	0	110.2	L215 K233 V234 A235 A240 N241	L215-I237 HydrophobicContact CD1-CG2 3.82Å; K233-I237 WeakPolarHBondContact O-CG1 3.3Å; K233-I237 PolarHBondContact O-N 3.01Å; V234-I237 WeakPolarHBondContact O-CA 3.49Å; V234-I237 WeakPolarHBondContact O-CB 3.15Å; V234-I237 PolarHBondContact O-N 3.13Å; A235-I237 PolarHBondContact O-N 3.46Å; I237-A240 PolarHBondContact O-N 3.12Å; I237-N241 PolarHBondContact O-N 3.32Å; I237-N241 PolarHBondContact O-ND2 3.42Å
238	I	95.5	Very high	88.6	Confident	38 Å²	38	76.8 Å²	76.8	20%	0.195	44%	0.444	C	S	.	.	H	α-helix	trans	-58	-52.3	175.8	-65.9	168.1	0	0	0	109.6	L215 P216 E219 V234 A235 A240 N241 S242	L215-I238 HydrophobicContact CB-CD1 3.88Å; L215-I238 HydrophobicContact CB-CG1 3.52Å; L215-I238 HydrophobicContact CD1-CG1 3.98Å; L215-I238 HydrophobicContact CG-CG1 4.39Å; P216-I238 HydrophobicContact CG-CD1 4.2Å; E219-I238 HydrophobicContact CB-CD1 4.49Å; E219-I238 WeakPolarHBondContact OE2-CD1 3.22Å; V234-I238 HydrophobicContact CG1-CD1 4.04Å; V234-I238 HydrophobicContact CG1-CG1 4.38Å; V234-I238 WeakPolarHBondContact O-CG1 3.39Å; V234-I238 PolarHBondContact O-N 3.35Å; A235-I238 PolarHBondContact O-N 2.9Å; I238-A240 VanDerWaalsContact C-N 3.3Å; I238-A240 PolarHBondContact O-N 3.07Å; I238-N241 PolarHBondContact O-N 3Å; I238-S242 PolarHBondContact O-N 3.4Å; I238-S242 VanDerWaalsContact O-N 3.07Å; I238-S242 PolarHBondContact O-OG 3.39Å
239	A	95.3	Very high	88.1	Confident	65 Å²	65	76.6 Å²	76.6	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-58.8	-38.5	-179.9	0	0	0	0	0	113.1	A235 N241	A235-A239 WeakPolarHBondContact O-CB 3.32Å; A235-A239 PolarHBondContact O-N 2.91Å; A239-N241 VanDerWaalsContact C-N 3.27Å; A239-N241 PolarHBondContact O-N 2.89Å
240	A	94.2	Very high	87.5	Confident	56 Å²	56	77.1 Å²	77.1	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-68.4	-22.9	177.5	0	0	0	0	0	113.7	K236 I237 I238 S243 N244	K236-A240 WeakPolarHBondContact O-CB 3.5Å; K236-A240 PolarHBondContact O-N 3.25Å; I237-A240 PolarHBondContact O-N 3.12Å; I238-A240 VanDerWaalsContact C-N 3.3Å; I238-A240 PolarHBondContact O-N 3.07Å; A240-S243 PolarHBondContact O-OG 3.03Å; A240-N244 PolarHBondContact O-ND2 2.87Å
241	N	87.6	Confident	86.8	Confident	58 Å²	58	77.7 Å²	77.7	31%	0.31	44%	0.444	S	S	.	.	H	α-helix	trans	-91.3	-30.2	178.2	-75.1	-67.6	0	0	0	112.7	I237 I238 A239 S243 N244	I237-N241 PolarHBondContact O-N 3.32Å; I237-N241 PolarHBondContact O-ND2 3.42Å; I238-N241 PolarHBondContact O-N 3Å; A239-N241 VanDerWaalsContact C-N 3.27Å; A239-N241 PolarHBondContact O-N 2.89Å; N241-S243 PolarHBondContact O-N 2.96Å; N241-N244 PolarHBondContact O-N 2.9Å
242	S	82	Confident	86	Confident	74 Å²	74	83.2 Å²	83.2	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-67.7	-20.8	177	-57.8	0	0	0	0	113.8	I238 N244 T245	I238-S242 PolarHBondContact O-N 3.4Å; I238-S242 VanDerWaalsContact O-N 3.07Å; I238-S242 PolarHBondContact O-OG 3.39Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.23Å; S242-T245 PolarHBondContact O-OG1 2.86Å
243	S	62.1	Low	85	Confident	88 Å²	88	82.5 Å²	82.5	62%	0.615	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	177	60.1	0	0	0	0	114.3	A240 N241	A240-S243 PolarHBondContact O-OG 3.03Å; N241-S243 PolarHBondContact O-N 2.96Å
244	N	56.9	Low	84	Confident	131 Å²	131	77.4 Å²	77.4	70%	0.701	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	10.7	-174.8	-68.5	-30.9	0	0	0	113.8	A240 N241 S242	A240-N244 PolarHBondContact O-ND2 2.87Å; N241-N244 PolarHBondContact O-N 2.9Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.23Å
245	T	46.2	Very low	82.7	Confident	161 Å²	161	83.9 Å²	83.9	99%	0.988	51%	0.506	S	S	*	.			trans	-121	0	173.5	43.2	0	0	0	0	109.8	S242	S242-T245 PolarHBondContact O-OG1 2.86Å

Retrieved 245 of 245 residues in 333.2 ms (Link to these results)

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